| 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 | 44.2 | Very low | 70.1 | Confident | 189 Ų | 189 | 97.7 Ų | 97.7 | 93% | 0.931 | 51% | 0.509 | S | S | * | . | 0 | -89.8 | 0 | -105.5 | -178 | 176.8 | 0 | 0 | 111.1 | S3 E4 | M1-S3 PolarHBondContact O-N 3.04Å; M1-E4 PolarHBondContact O-N 3.38Å | |||
| 2 | Y | 56.4 | Low | 70.7 | Confident | 207 Ų | 207 | 89.9 Ų | 89.9 | 81% | 0.812 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -64.4 | -15.6 | -176.3 | -61.4 | -66.4 | 0 | 0 | 0 | 115.2 | E4 W5 A6 | Y2-E4 VanDerWaalsContact C-N 3.28Å; Y2-E4 PolarHBondContact O-N 3.32Å; Y2-W5 CarbonylContact O-C 3.6Å; Y2-W5 WeakPolarHBondContact O-CA 3.43Å; Y2-W5 WeakPolarHBondContact O-CB 3.39Å; Y2-W5 PolarHBondContact O-N 3.27Å; Y2-A6 PolarHBondContact O-N 2.96Å |
| 3 | S | 55.2 | Low | 70.8 | Confident | 88 Ų | 88 | 88.7 Ų | 88.7 | 62% | 0.615 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -54.9 | -37.5 | 171.6 | 46.3 | 0 | 0 | 0 | 0 | 113.7 | M1 W5 A6 | M1-S3 PolarHBondContact O-N 3.04Å; S3-W5 PolarHBondContact O-N 3.03Å; S3-A6 VanDerWaalsContact O-CB 3.26Å; S3-A6 WeakPolarHBondContact O-CB 3.46Å; S3-A6 PolarHBondContact O-N 3.2Å |
| 4 | E | 55.4 | Low | 70.6 | Confident | 121 Ų | 121 | 86.8 Ų | 86.8 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -75.4 | -6.2 | 177.5 | -69.4 | 159.3 | -123.1 | 0 | 0 | 113.1 | M1 Y2 S233 | M1-E4 PolarHBondContact O-N 3.38Å; Y2-E4 VanDerWaalsContact C-N 3.28Å; Y2-E4 PolarHBondContact O-N 3.32Å; E4-S233 WeakPolarHBondContact O-CB 3.47Å; E4-S233 PolarHBondContact O-N 3Å |
| 5 | W | 69 | Low | 70.1 | Confident | 150 Ų | 150 | 85.7 Ų | 85.7 | 57% | 0.568 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -111.1 | 9.8 | 175 | -60.9 | 67.9 | 0 | 0 | 0 | 111.5 | Y2 S3 P232 K236 | Y2-W5 CarbonylContact O-C 3.6Å; Y2-W5 WeakPolarHBondContact O-CA 3.43Å; Y2-W5 WeakPolarHBondContact O-CB 3.39Å; Y2-W5 PolarHBondContact O-N 3.27Å; S3-W5 PolarHBondContact O-N 3.03Å; W5-P232 HydrophobicContact CD2-CB 4.03Å; W5-P232 HydrophobicContact CE3-CB 4.42Å; W5-P232 HydrophobicContact CG-CB 4.32Å; W5-P232 HydrophobicContact CZ2-CB 4.44Å; W5-K236 WeakPolarHBondContact O-CD 3.26Å; W5-K236 PolarHBondContact O-NZ 2.9Å |
| 6 | A | 80.5 | Confident | 69.4 | Low | 49 Ų | 49 | 82.1 Ų | 82.1 | 41% | 0.405 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -67.1 | 150.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y2 S3 S233 | Y2-A6 PolarHBondContact O-N 2.96Å; S3-A6 VanDerWaalsContact O-CB 3.26Å; S3-A6 WeakPolarHBondContact O-CB 3.46Å; S3-A6 PolarHBondContact O-N 3.2Å; A6-S233 WeakPolarHBondContact O-CA 3.23Å; A6-S233 WeakPolarHBondContact O-CB 3.26Å |
| 7 | S | 83.3 | Confident | 68.3 | Low | 31 Ų | 31 | 84.4 Ų | 84.4 | 22% | 0.217 | 47% | 0.47 | C | S | . | . | trans | -84 | 145.1 | 174.3 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | S9 E240 | S7-S9 VanDerWaalsContact C-N 3.29Å; S7-S9 WeakPolarHBondContact OG-CB 3.3Å; S7-S9 PolarHBondContact OG-N 3.35Å; S7-S9 VanDerWaalsContact OG-N 3.12Å; S7-S9 PolarHBondContact OG-OG 3.18Å; S7-E240 WeakPolarHBondContact CB-OE1 3.21Å; S7-E240 WeakPolarHBondContact CB-OE2 3.48Å; S7-E240 VanDerWaalsContact OG-CD 3.25Å; S7-E240 PolarHBondContact OG-OE1 2.85Å; S7-E240 PolarHBondContact OG-OE2 3.29Å | ||
| 8 | L | 86.7 | Confident | 67.2 | Low | 37 Ų | 37 | 81.9 Ų | 81.9 | 19% | 0.194 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -88.1 | 1.1 | 171.4 | -51.8 | 178.5 | 0 | 0 | 0 | 111.6 | A10 Q11 I12 L186 M234 T237 | L8-A10 PolarHBondContact O-N 3.45Å; L8-A10 VanDerWaalsContact O-N 3.13Å; L8-Q11 CarbonylContact O-C 3.45Å; L8-Q11 WeakPolarHBondContact O-CA 3.21Å; L8-Q11 WeakPolarHBondContact O-CB 3.32Å; L8-Q11 PolarHBondContact O-N 3.42Å; L8-I12 PolarHBondContact O-N 3.04Å; L8-L186 HydrophobicContact CB-CD2 4.29Å; L8-L186 HydrophobicContact CD1-CD2 3.98Å; L8-M234 HydrophobicContact CD1-CG 3.86Å; L8-T237 HydrophobicContact CB-CG2 4.15Å; L8-T237 WeakPolarHBondContact CB-OG1 3.36Å; L8-T237 PolarHBondContact N-OG1 3.01Å |
| 9 | S | 81.6 | Confident | 66.3 | Low | 29 Ų | 29 | 77.9 Ų | 77.9 | 20% | 0.203 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -50 | -39.5 | 177.4 | -63.2 | 0 | 0 | 0 | 0 | 112.6 | S7 Q11 I12 T13 E240 | S7-S9 VanDerWaalsContact C-N 3.29Å; S7-S9 WeakPolarHBondContact OG-CB 3.3Å; S7-S9 PolarHBondContact OG-N 3.35Å; S7-S9 VanDerWaalsContact OG-N 3.12Å; S7-S9 PolarHBondContact OG-OG 3.18Å; S9-Q11 PolarHBondContact O-N 2.7Å; S9-I12 CarbonylContact O-C 3.57Å; S9-I12 PolarHBondContact O-N 3.34Å; S9-T13 PolarHBondContact O-N 3.02Å; S9-T13 PolarHBondContact O-OG1 3.25Å; S9-E240 PolarHBondContact OG-OE2 3.02Å |
| 10 | A | 78.4 | Confident | 65.8 | Low | 78 Ų | 78 | 79 Ų | 79 | 65% | 0.645 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.7 | -34.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L8 A14 | L8-A10 PolarHBondContact O-N 3.45Å; L8-A10 VanDerWaalsContact O-N 3.13Å; A10-A14 VanDerWaalsContact O-CB 3.31Å; A10-A14 WeakPolarHBondContact O-CB 3.31Å; A10-A14 PolarHBondContact O-N 3.16Å |
| 11 | Q | 80.5 | Confident | 65.7 | Low | 96 Ų | 96 | 77 Ų | 77 | 45% | 0.449 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -72.1 | -37 | 173.2 | -174.7 | 178.1 | -1.2 | 0 | 0 | 110.7 | L8 S9 N15 | L8-Q11 CarbonylContact O-C 3.45Å; L8-Q11 WeakPolarHBondContact O-CA 3.21Å; L8-Q11 WeakPolarHBondContact O-CB 3.32Å; L8-Q11 PolarHBondContact O-N 3.42Å; S9-Q11 PolarHBondContact O-N 2.7Å; Q11-N15 VanDerWaalsContact O-CB 3.27Å; Q11-N15 WeakPolarHBondContact O-CB 3.17Å; Q11-N15 PolarHBondContact O-N 3.46Å; Q11-N15 PolarHBondContact O-OD1 3.39Å |
| 12 | I | 77.9 | Confident | 66.8 | Low | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.021 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62 | -54.2 | 171.2 | -69 | -177 | 0 | 0 | 0 | 110.3 | L8 S9 A14 N15 S16 L186 L189 A190 E193 T237 | L8-I12 PolarHBondContact O-N 3.04Å; S9-I12 CarbonylContact O-C 3.57Å; S9-I12 PolarHBondContact O-N 3.34Å; I12-A14 VanDerWaalsContact C-N 3.29Å; I12-A14 PolarHBondContact O-N 2.86Å; I12-N15 CarbonylContact O-C 3.57Å; I12-N15 VanDerWaalsContact O-C 3.28Å; I12-N15 WeakPolarHBondContact O-CA 3.24Å; I12-N15 WeakPolarHBondContact O-CB 3.43Å; I12-N15 PolarHBondContact O-N 2.87Å; I12-S16 WeakPolarHBondContact O-CB 3.31Å; I12-S16 PolarHBondContact O-N 2.75Å; I12-S16 PolarHBondContact O-OG 3.42Å; I12-L186 HydrophobicContact CD1-CD2 4.32Å; I12-L186 HydrophobicContact CG1-CD2 4.16Å; I12-L189 HydrophobicContact CD1-CB 3.59Å; I12-L189 HydrophobicContact CD1-CD1 3.96Å; I12-L189 HydrophobicContact CD1-CG 4.39Å; I12-A190 HydrophobicContact CG2-CB 3.93Å; I12-E193 HydrophobicContact CG2-CB 4.28Å; I12-E193 HydrophobicContact CG2-CG 4.39Å; I12-T237 HydrophobicContact CD1-CG2 3.48Å; I12-T237 VanDerWaalsContact CD1-CG2 3.48Å; I12-T237 HydrophobicContact CG1-CG2 4.45Å |
| 13 | T | 71 | Confident | 68.1 | Low | 74 Ų | 74 | 64.8 Ų | 64.8 | 45% | 0.454 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.7 | -37.7 | -179.3 | -47.1 | 0 | 0 | 0 | 0 | 112.2 | S9 S16 C17 | S9-T13 PolarHBondContact O-N 3.02Å; S9-T13 PolarHBondContact O-OG1 3.25Å; T13-S16 PolarHBondContact O-N 3.28Å; T13-C17 PolarHBondContact O-N 2.67Å |
| 14 | A | 68.4 | Low | 69.4 | Low | 62 Ų | 62 | 64.9 Ų | 64.9 | 51% | 0.512 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A10 I12 S16 G18 | A10-A14 VanDerWaalsContact O-CB 3.31Å; A10-A14 WeakPolarHBondContact O-CB 3.31Å; A10-A14 PolarHBondContact O-N 3.16Å; I12-A14 VanDerWaalsContact C-N 3.29Å; I12-A14 PolarHBondContact O-N 2.86Å; A14-S16 VanDerWaalsContact C-N 3.28Å; A14-S16 PolarHBondContact O-N 2.81Å; A14-G18 WeakPolarHBondContact O-CA 2.94Å; A14-G18 PolarHBondContact O-N 2.62Å |
| 15 | N | 62.7 | Low | 70.8 | Confident | 71 Ų | 71 | 60.1 Ų | 60.1 | 38% | 0.38 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71.1 | -15.4 | 173.3 | -71.7 | 6.2 | 0 | 0 | 0 | 113.7 | Q11 I12 A19 | Q11-N15 VanDerWaalsContact O-CB 3.27Å; Q11-N15 WeakPolarHBondContact O-CB 3.17Å; Q11-N15 PolarHBondContact O-N 3.46Å; Q11-N15 PolarHBondContact O-OD1 3.39Å; I12-N15 CarbonylContact O-C 3.57Å; I12-N15 VanDerWaalsContact O-C 3.28Å; I12-N15 WeakPolarHBondContact O-CA 3.24Å; I12-N15 WeakPolarHBondContact O-CB 3.43Å; I12-N15 PolarHBondContact O-N 2.87Å; N15-A19 WeakPolarHBondContact O-CA 3.4Å; N15-A19 WeakPolarHBondContact O-CB 3.02Å; N15-A19 PolarHBondContact O-N 3.33Å |
| 16 | S | 59.5 | Low | 71.4 | Confident | 28 Ų | 28 | 56.2 Ų | 56.2 | 20% | 0.196 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -88.2 | -45.8 | 176.7 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | I12 T13 A14 G18 A19 | I12-S16 WeakPolarHBondContact O-CB 3.31Å; I12-S16 PolarHBondContact O-N 2.75Å; I12-S16 PolarHBondContact O-OG 3.42Å; T13-S16 PolarHBondContact O-N 3.28Å; A14-S16 VanDerWaalsContact C-N 3.28Å; A14-S16 PolarHBondContact O-N 2.81Å; S16-G18 VanDerWaalsContact C-N 3.31Å; S16-A19 VanDerWaalsContact O-CB 3.23Å; S16-A19 WeakPolarHBondContact O-CB 3.36Å; S16-A19 PolarHBondContact O-N 3.13Å |
| 17 | C | 50.1 | Low | 71.4 | Confident | 121 Ų | 121 | 63 Ų | 63 | 82% | 0.818 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -71.8 | -27.5 | 172.1 | -68.6 | 0 | 0 | 0 | 0 | 112.2 | T13 | T13-C17 PolarHBondContact O-N 2.67Å |
| 18 | G | 48.7 | Very low | 71.5 | Confident | 40 Ų | 40 | 67.2 Ų | 67.2 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 14.2 | 171 | 0 | 0 | 0 | 0 | 0 | 114.6 | A14 S16 Q20 | A14-G18 WeakPolarHBondContact O-CA 2.94Å; A14-G18 PolarHBondContact O-N 2.62Å; S16-G18 VanDerWaalsContact C-N 3.31Å; G18-Q20 PolarHBondContact O-N 3.28Å |
| 19 | A | 50.5 | Low | 71.3 | Confident | 5 Ų | 5 | 69.7 Ų | 69.7 | 4% | 0.041 | 40% | 0.401 | C | S | . | . | trans | -59.7 | -21.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N15 S16 C21 H128 N129 V132 I194 | N15-A19 WeakPolarHBondContact O-CA 3.4Å; N15-A19 WeakPolarHBondContact O-CB 3.02Å; N15-A19 PolarHBondContact O-N 3.33Å; S16-A19 VanDerWaalsContact O-CB 3.23Å; S16-A19 WeakPolarHBondContact O-CB 3.36Å; S16-A19 PolarHBondContact O-N 3.13Å; A19-C21 PolarHBondContact O-N 3.02Å; A19-H128 HydrophobicContact CB-CB 4.34Å; A19-N129 PolarHBondContact O-OD1 3.01Å; A19-V132 HydrophobicContact CB-CG2 4.33Å; A19-I194 HydrophobicContact CB-CD1 4.1Å | ||
| 20 | Q | 56.3 | Low | 71.1 | Confident | 99 Ų | 99 | 71.9 Ų | 71.9 | 46% | 0.463 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -68.6 | 99.2 | 173.8 | -69 | -176.6 | -4.5 | 0 | 0 | 108.8 | G18 F22 N129 | G18-Q20 PolarHBondContact O-N 3.28Å; Q20-F22 HydrophobicContact CB-CD1 4.22Å; Q20-F22 HydrophobicContact CB-CE1 3.72Å; Q20-F22 HydrophobicContact CB-CE2 4.29Å; Q20-F22 HydrophobicContact CB-CZ 3.76Å; Q20-F22 WeakPolarHBondContact O-CD2 3.41Å; Q20-F22 VanDerWaalsContact O-CE2 3.28Å; Q20-F22 WeakPolarHBondContact O-CE2 3.39Å; Q20-F22 WeakPolarHBondContact O-CG 3.11Å; Q20-F22 PolarHBondContact O-N 2.77Å; Q20-N129 WeakPolarHBondContact CA-OD1 3.45Å |
| 21 | C | 62.8 | Low | 71.3 | Confident | 37 Ų | 37 | 71.8 Ų | 71.8 | 25% | 0.25 | 42% | 0.416 | C | S | . | . | trans | -64.4 | 101.4 | 169.4 | -75.1 | 0 | 0 | 0 | 0 | 107.6 | A19 S23 C73 N129 | A19-C21 PolarHBondContact O-N 3.02Å; C21-S23 PolarHBondContact O-N 2.96Å; C21-C73 WeakPolarHBondContact CB-SG 3.44Å; C21-C73 PolarHBondContact O-SG 2.97Å; C21-N129 PolarHBondContact N-OD1 3.17Å; C21-N129 PolarHBondContact O-ND2 3.06Å | ||
| 22 | F | 68 | Low | 71.6 | Confident | 138 Ų | 138 | 69.1 Ų | 69.1 | 61% | 0.605 | 41% | 0.41 | S | S | * | . | trans | -77.1 | 91.1 | -168.6 | -67.2 | -71.4 | 0 | 0 | 0 | 111.7 | Q20 | Q20-F22 HydrophobicContact CB-CD1 4.22Å; Q20-F22 HydrophobicContact CB-CE1 3.72Å; Q20-F22 HydrophobicContact CB-CE2 4.29Å; Q20-F22 HydrophobicContact CB-CZ 3.76Å; Q20-F22 WeakPolarHBondContact O-CD2 3.41Å; Q20-F22 VanDerWaalsContact O-CE2 3.28Å; Q20-F22 WeakPolarHBondContact O-CE2 3.39Å; Q20-F22 WeakPolarHBondContact O-CG 3.11Å; Q20-F22 PolarHBondContact O-N 2.77Å | ||
| 23 | S | 83.3 | Confident | 71.9 | Confident | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.021 | 41% | 0.409 | C | S | . | . | trans | -51.5 | 149.5 | 165.4 | 163.1 | 0 | 0 | 0 | 0 | 111.8 | C21 L25 N26 D70 | C21-S23 PolarHBondContact O-N 2.96Å; S23-L25 PolarHBondContact O-N 3.39Å; S23-L25 WeakPolarHBondContact OG-CB 3.46Å; S23-L25 PolarHBondContact OG-N 3.06Å; S23-N26 PolarHBondContact N-ND2 2.94Å; S23-N26 WeakPolarHBondContact O-CB 3.47Å; S23-N26 PolarHBondContact O-N 2.57Å; S23-D70 WeakPolarHBondContact CA-OD1 3.31Å; S23-D70 WeakPolarHBondContact CA-OD2 3.04Å; S23-D70 VanDerWaalsContact CB-O 3.24Å; S23-D70 WeakPolarHBondContact CB-O 3.29Å; S23-D70 WeakPolarHBondContact CB-OD2 3.26Å; S23-D70 PolarHBondContact OG-O 3.45Å; S23-D70 VanDerWaalsContact OG-O 3.08Å; S23-D70 PolarHBondContact OG-OD2 2.85Å | ||
| 24 | V | 83.2 | Confident | 72.7 | Confident | 89 Ų | 89 | 70.8 Ų | 70.8 | 54% | 0.539 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -54.5 | -30.4 | 170 | 175 | 0 | 0 | 0 | 0 | 111.6 | N26 K27 F28 D70 | V24-N26 PolarHBondContact O-N 2.65Å; V24-K27 WeakPolarHBondContact O-CB 3.02Å; V24-K27 PolarHBondContact O-N 3.42Å; V24-F28 HydrophobicContact CG1-CE2 4.2Å; V24-F28 WeakPolarHBondContact O-CD2 3.42Å; V24-D70 PolarHBondContact N-OD1 3.33Å; V24-D70 PolarHBondContact N-OD2 3.34Å |
| 25 | L | 84.6 | Confident | 73.7 | Confident | 22 Ų | 22 | 74.3 Ų | 74.3 | 12% | 0.115 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -62.1 | -23.6 | 175.8 | -64 | 179.7 | 0 | 0 | 0 | 113.5 | S23 K27 F28 V36 V37 V71 F74 | S23-L25 PolarHBondContact O-N 3.39Å; S23-L25 WeakPolarHBondContact OG-CB 3.46Å; S23-L25 PolarHBondContact OG-N 3.06Å; L25-K27 PolarHBondContact O-N 3.24Å; L25-K27 VanDerWaalsContact O-N 3.12Å; L25-F28 PolarHBondContact O-N 2.89Å; L25-V36 HydrophobicContact CD1-CB 4.47Å; L25-V36 HydrophobicContact CD1-CG1 4.15Å; L25-V36 HydrophobicContact CD2-CG1 4.33Å; L25-V37 HydrophobicContact CD1-CG2 4.02Å; L25-V71 HydrophobicContact CD1-CB 4.47Å; L25-V71 HydrophobicContact CD1-CG1 4.4Å; L25-V71 HydrophobicContact CD1-CG2 4.24Å; L25-F74 HydrophobicContact CB-CB 3.96Å; L25-F74 HydrophobicContact CB-CD1 4.36Å; L25-F74 HydrophobicContact CB-CD2 3.42Å; L25-F74 VanDerWaalsContact CB-CD2 3.42Å; L25-F74 HydrophobicContact CB-CE2 3.93Å; L25-F74 HydrophobicContact CB-CG 3.66Å; L25-F74 HydrophobicContact CD1-CB 3.84Å; L25-F74 HydrophobicContact CD1-CD1 4.31Å; L25-F74 HydrophobicContact CD1-CG 4.03Å; L25-F74 HydrophobicContact CG-CB 4.45Å; L25-F74 HydrophobicContact CG-CG 4.5Å |
| 26 | N | 80.9 | Confident | 75 | Confident | 68 Ų | 68 | 73.4 Ų | 73.4 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -66.7 | -8.6 | 173.1 | -73.2 | -52.6 | 0 | 0 | 0 | 113.8 | S23 V24 F74 | S23-N26 PolarHBondContact N-ND2 2.94Å; S23-N26 WeakPolarHBondContact O-CB 3.47Å; S23-N26 PolarHBondContact O-N 2.57Å; V24-N26 PolarHBondContact O-N 2.65Å; N26-F74 WeakPolarHBondContact OD1-CD2 3.26Å; N26-F74 WeakPolarHBondContact OD1-CE2 3.13Å |
| 27 | K | 82.1 | Confident | 76.6 | Confident | 190 Ų | 190 | 72 Ų | 72 | 83% | 0.826 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -90.4 | -2.3 | 172.5 | -60 | -171.4 | 178.6 | -178.5 | 0 | 113.5 | V24 L25 | V24-K27 WeakPolarHBondContact O-CB 3.02Å; V24-K27 PolarHBondContact O-N 3.42Å; L25-K27 PolarHBondContact O-N 3.24Å; L25-K27 VanDerWaalsContact O-N 3.12Å |
| 28 | F | 83.7 | Confident | 78.5 | Confident | 121 Ų | 121 | 68.8 Ų | 68.8 | 53% | 0.531 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -109 | 163.6 | 179.1 | -66.3 | -94.3 | 0 | 0 | 0 | 110.9 | V24 L25 A30 | V24-F28 HydrophobicContact CG1-CE2 4.2Å; V24-F28 WeakPolarHBondContact O-CD2 3.42Å; L25-F28 PolarHBondContact O-N 2.89Å; F28-A30 PolarHBondContact O-N 3.49Å |
| 29 | P | 83.3 | Confident | 80.4 | Confident | 88 Ų | 88 | 70.9 Ų | 70.9 | 57% | 0.571 | 39% | 0.385 | S | S | * | . | trans | -55.9 | 135.9 | 170.9 | -24.5 | 35.1 | 0 | 0 | 0 | 111.2 | S31 A32 G33 | P29-S31 PolarHBondContact O-N 3.12Å; P29-A32 PolarHBondContact O-N 2.89Å; P29-G33 PolarHBondContact O-N 2.86Å; P29-G33 VanDerWaalsContact O-N 3.16Å | ||
| 30 | A | 77.6 | Confident | 82.3 | Confident | 75 Ų | 75 | 72.1 Ų | 72.1 | 62% | 0.62 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -57.7 | -29.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114 | F28 R34 | F28-A30 PolarHBondContact O-N 3.49Å; A30-R34 WeakPolarHBondContact O-CB 3.36Å; A30-R34 PolarHBondContact O-N 2.8Å |
| 31 | S | 82.8 | Confident | 84 | Confident | 77 Ų | 77 | 67.4 Ų | 67.4 | 54% | 0.538 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 172.6 | 47.4 | 0 | 0 | 0 | 0 | 112.9 | P29 R34 E35 | P29-S31 PolarHBondContact O-N 3.12Å; S31-R34 WeakPolarHBondContact O-CB 3.32Å; S31-R34 PolarHBondContact O-N 3.24Å; S31-E35 PolarHBondContact O-N 3.13Å |
| 32 | A | 85.3 | Confident | 85.2 | Confident | 39 Ų | 39 | 72.3 Ų | 72.3 | 32% | 0.322 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P29 R34 E35 V36 | P29-A32 PolarHBondContact O-N 2.89Å; A32-R34 VanDerWaalsContact C-N 3.35Å; A32-R34 PolarHBondContact O-N 2.91Å; A32-E35 PolarHBondContact O-N 2.88Å; A32-V36 WeakPolarHBondContact O-CG2 3.27Å; A32-V36 PolarHBondContact O-N 3.47Å; A32-V36 VanDerWaalsContact O-N 3.16Å |
| 33 | G | 85.6 | Confident | 86 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P29 V36 V37 F74 | P29-G33 PolarHBondContact O-N 2.86Å; P29-G33 VanDerWaalsContact O-N 3.16Å; G33-V36 PolarHBondContact O-N 3.04Å; G33-V37 WeakPolarHBondContact O-CG2 3.31Å; G33-V37 PolarHBondContact O-N 3.42Å; G33-V37 VanDerWaalsContact O-N 3.08Å; G33-F74 VanDerWaalsContact C-CE1 3.41Å |
| 34 | R | 88.1 | Confident | 86.2 | Confident | 114 Ų | 114 | 73.1 Ų | 73.1 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58 | -51.2 | 175.2 | -179.3 | -158.4 | -178.8 | -172 | 12 | 112 | A30 S31 A32 V36 V37 V38 L78 E82 | A30-R34 WeakPolarHBondContact O-CB 3.36Å; A30-R34 PolarHBondContact O-N 2.8Å; S31-R34 WeakPolarHBondContact O-CB 3.32Å; S31-R34 PolarHBondContact O-N 3.24Å; A32-R34 VanDerWaalsContact C-N 3.35Å; A32-R34 PolarHBondContact O-N 2.91Å; R34-V36 VanDerWaalsContact C-N 3.32Å; R34-V36 PolarHBondContact O-N 2.97Å; R34-V37 PolarHBondContact O-N 2.86Å; R34-V38 HydrophobicContact CG-CG2 4.18Å; R34-V38 WeakPolarHBondContact O-CB 3.47Å; R34-V38 VanDerWaalsContact O-CG2 3.29Å; R34-V38 WeakPolarHBondContact O-CG2 3.4Å; R34-V38 PolarHBondContact O-N 2.73Å; R34-L78 HydrophobicContact CB-CD2 4.11Å; R34-L78 HydrophobicContact CG-CD2 4.29Å; R34-E82 IonicContact CZ-OE1 2.74Å; R34-E82 IonicContact CZ-OE2 2.64Å; R34-E82 IonicContact NE-OE1 3.81Å; R34-E82 PolarHBondContact NE-OE1 2.59Å; R34-E82 IonicContact NE-OE2 2.69Å; R34-E82 PolarHBondContact NE-OE2 3.42Å; R34-E82 IonicContact NH1-OE1 3.86Å; R34-E82 IonicContact NH2-OE1 2.86Å; R34-E82 PolarHBondContact NH2-OE1 2.87Å; R34-E82 IonicContact NH2-OE2 3.64Å; R34-E82 PolarHBondContact NH2-OE2 3.08Å |
| 35 | E | 87.9 | Confident | 86.2 | Confident | 135 Ų | 135 | 69.2 Ų | 69.2 | 63% | 0.631 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.4 | -38.1 | -177.1 | -74.5 | 176.7 | -175.9 | 0 | 0 | 112.7 | S31 A32 S39 | S31-E35 PolarHBondContact O-N 3.13Å; A32-E35 PolarHBondContact O-N 2.88Å; E35-S39 WeakPolarHBondContact O-CB 3.35Å; E35-S39 PolarHBondContact O-N 2.98Å; E35-S39 VanDerWaalsContact O-N 3.11Å; E35-S39 PolarHBondContact O-OG 3.43Å |
| 36 | V | 91.1 | Very high | 86 | Confident | 52 Ų | 52 | 71.5 Ų | 71.5 | 32% | 0.315 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.8 | -49.4 | 173.4 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L25 A32 G33 R34 S39 V40 V71 | L25-V36 HydrophobicContact CD1-CB 4.47Å; L25-V36 HydrophobicContact CD1-CG1 4.15Å; L25-V36 HydrophobicContact CD2-CG1 4.33Å; A32-V36 WeakPolarHBondContact O-CG2 3.27Å; A32-V36 PolarHBondContact O-N 3.47Å; A32-V36 VanDerWaalsContact O-N 3.16Å; G33-V36 PolarHBondContact O-N 3.04Å; R34-V36 VanDerWaalsContact C-N 3.32Å; R34-V36 PolarHBondContact O-N 2.97Å; V36-S39 PolarHBondContact O-N 2.91Å; V36-V40 HydrophobicContact CG1-CG2 4.4Å; V36-V40 WeakPolarHBondContact O-CB 3.41Å; V36-V40 VanDerWaalsContact O-CG2 3.32Å; V36-V40 WeakPolarHBondContact O-CG2 3.28Å; V36-V40 PolarHBondContact O-N 2.85Å; V36-V71 HydrophobicContact CG1-CG1 4.3Å; V36-V71 HydrophobicContact CG1-CG2 4.31Å |
| 37 | V | 92.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60 | -51.1 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | L25 G33 R34 S39 V40 V41 V71 F74 L78 T85 | L25-V37 HydrophobicContact CD1-CG2 4.02Å; G33-V37 WeakPolarHBondContact O-CG2 3.31Å; G33-V37 PolarHBondContact O-N 3.42Å; G33-V37 VanDerWaalsContact O-N 3.08Å; R34-V37 PolarHBondContact O-N 2.86Å; V37-S39 PolarHBondContact O-N 2.85Å; V37-V40 PolarHBondContact O-N 3.13Å; V37-V41 HydrophobicContact CG1-CB 4.32Å; V37-V41 HydrophobicContact CG1-CG2 3.69Å; V37-V41 VanDerWaalsContact O-CB 3.27Å; V37-V41 WeakPolarHBondContact O-CB 3.04Å; V37-V41 WeakPolarHBondContact O-CG2 3.36Å; V37-V41 PolarHBondContact O-N 3.08Å; V37-V71 HydrophobicContact CB-CG1 4.36Å; V37-V71 HydrophobicContact CG2-CG1 3.82Å; V37-V71 VanDerWaalsContact CG2-O 3.28Å; V37-V71 WeakPolarHBondContact CG2-O 3.45Å; V37-F74 HydrophobicContact CG2-CB 4.1Å; V37-F74 HydrophobicContact CG2-CD1 3.68Å; V37-F74 HydrophobicContact CG2-CG 4.34Å; V37-L78 HydrophobicContact CB-CD1 4.45Å; V37-L78 HydrophobicContact CG1-CD1 4.04Å; V37-T85 HydrophobicContact CG1-CG2 3.62Å |
| 38 | V | 90 | Very high | 85.7 | Confident | 53 Ų | 53 | 60.8 Ų | 60.8 | 32% | 0.321 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.4 | -37.4 | -177.6 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | R34 K42 T85 | R34-V38 HydrophobicContact CG-CG2 4.18Å; R34-V38 WeakPolarHBondContact O-CB 3.47Å; R34-V38 VanDerWaalsContact O-CG2 3.29Å; R34-V38 WeakPolarHBondContact O-CG2 3.4Å; R34-V38 PolarHBondContact O-N 2.73Å; V38-K42 WeakPolarHBondContact O-CB 3.26Å; V38-T85 HydrophobicContact CG2-CG2 3.79Å |
| 39 | S | 89.6 | Confident | 84.8 | Confident | 84 Ų | 84 | 56.3 Ų | 56.3 | 59% | 0.587 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -73.3 | -48.5 | 178.7 | -55.1 | 0 | 0 | 0 | 0 | 112.5 | E35 V36 V37 | E35-S39 WeakPolarHBondContact O-CB 3.35Å; E35-S39 PolarHBondContact O-N 2.98Å; E35-S39 VanDerWaalsContact O-N 3.11Å; E35-S39 PolarHBondContact O-OG 3.43Å; V36-S39 PolarHBondContact O-N 2.91Å; V37-S39 PolarHBondContact O-N 2.85Å |
| 40 | V | 91 | Very high | 83.9 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.8 | -49.2 | -175.4 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | V36 V37 K42 Q43 L44 W67 V71 | V36-V40 HydrophobicContact CG1-CG2 4.4Å; V36-V40 WeakPolarHBondContact O-CB 3.41Å; V36-V40 VanDerWaalsContact O-CG2 3.32Å; V36-V40 WeakPolarHBondContact O-CG2 3.28Å; V36-V40 PolarHBondContact O-N 2.85Å; V37-V40 PolarHBondContact O-N 3.13Å; V40-K42 PolarHBondContact O-N 3Å; V40-Q43 PolarHBondContact O-N 3.39Å; V40-L44 HydrophobicContact CG1-CD1 4.1Å; V40-L44 PolarHBondContact O-N 2.86Å; V40-L44 VanDerWaalsContact O-N 3.08Å; V40-W67 HydrophobicContact CG1-CZ3 4.15Å; V40-W67 HydrophobicContact CG2-CH2 3.7Å; V40-W67 HydrophobicContact CG2-CZ3 3.86Å; V40-V71 HydrophobicContact CB-CG1 3.95Å; V40-V71 HydrophobicContact CG1-CG1 4.05Å; V40-V71 HydrophobicContact CG2-CG1 4.35Å |
| 41 | V | 90.9 | Very high | 83.2 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.3 | -36.1 | -174.1 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | V37 Q43 L44 G45 V71 I72 D88 C89 | V37-V41 HydrophobicContact CG1-CB 4.32Å; V37-V41 HydrophobicContact CG1-CG2 3.69Å; V37-V41 VanDerWaalsContact O-CB 3.27Å; V37-V41 WeakPolarHBondContact O-CB 3.04Å; V37-V41 WeakPolarHBondContact O-CG2 3.36Å; V37-V41 PolarHBondContact O-N 3.08Å; V41-Q43 VanDerWaalsContact C-N 3.31Å; V41-Q43 PolarHBondContact O-N 3.34Å; V41-L44 PolarHBondContact O-N 3.22Å; V41-G45 PolarHBondContact O-N 3.11Å; V41-V71 HydrophobicContact CG2-CG1 4.5Å; V41-I72 HydrophobicContact CG2-CG1 3.93Å; V41-D88 HydrophobicContact CG1-CB 3.78Å; V41-C89 HydrophobicContact CG1-CB 4.49Å |
| 42 | K | 87.2 | Confident | 82.4 | Confident | 140 Ų | 140 | 61.5 Ų | 61.5 | 61% | 0.609 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.2 | -40 | 174.9 | -175.1 | 176.1 | -177.5 | 178.5 | 0 | 112.2 | V38 V40 G45 T46 | V38-K42 WeakPolarHBondContact O-CB 3.26Å; V40-K42 PolarHBondContact O-N 3Å; K42-G45 PolarHBondContact O-N 3.12Å; K42-T46 PolarHBondContact O-N 3.1Å; K42-T46 VanDerWaalsContact O-N 3.13Å; K42-T46 PolarHBondContact O-OG1 3.11Å |
| 43 | Q | 86 | Confident | 81.6 | Confident | 129 Ų | 129 | 66.8 Ų | 66.8 | 60% | 0.603 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -72.6 | -29.2 | 177.4 | -170.4 | 60.1 | 58.7 | 0 | 0 | 112.8 | V40 V41 T46 N47 | V40-Q43 PolarHBondContact O-N 3.39Å; V41-Q43 VanDerWaalsContact C-N 3.31Å; V41-Q43 PolarHBondContact O-N 3.34Å; Q43-T46 PolarHBondContact O-OG1 3.46Å; Q43-N47 PolarHBondContact O-OD1 2.85Å |
| 44 | L | 87.3 | Confident | 81 | Confident | 28 Ų | 28 | 68.4 Ų | 68.4 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73.6 | -38.7 | 170 | -66.3 | 173.4 | 0 | 0 | 0 | 111.5 | V40 V41 N47 L59 C68 I72 V92 W96 | V40-L44 HydrophobicContact CG1-CD1 4.1Å; V40-L44 PolarHBondContact O-N 2.86Å; V40-L44 VanDerWaalsContact O-N 3.08Å; V41-L44 PolarHBondContact O-N 3.22Å; L44-N47 PolarHBondContact O-N 3.27Å; L44-L59 HydrophobicContact CD2-CD1 4.08Å; L44-C68 HydrophobicContact CD1-CB 4.17Å; L44-I72 HydrophobicContact CD1-CD1 4.07Å; L44-V92 HydrophobicContact CB-CG1 4.45Å; L44-V92 HydrophobicContact CB-CG2 3.83Å; L44-W96 HydrophobicContact CD1-CZ2 4.49Å; L44-W96 HydrophobicContact CD2-CZ2 4.5Å |
| 45 | G | 83 | Confident | 80.5 | Confident | 7 Ų | 7 | 68.2 Ų | 68.2 | 7% | 0.072 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.9 | -37.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V41 K42 N47 L48 | V41-G45 PolarHBondContact O-N 3.11Å; K42-G45 PolarHBondContact O-N 3.12Å; G45-N47 VanDerWaalsContact C-N 3.27Å; G45-N47 PolarHBondContact O-N 3Å; G45-L48 WeakPolarHBondContact O-CB 2.86Å; G45-L48 WeakPolarHBondContact O-CG 3.45Å; G45-L48 PolarHBondContact O-N 2.92Å |
| 46 | T | 81.4 | Confident | 80.1 | Confident | 70 Ų | 70 | 66 Ų | 66 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.5 | -35.3 | 175.3 | 41.8 | 0 | 0 | 0 | 0 | 113.1 | K42 Q43 L48 | K42-T46 PolarHBondContact O-N 3.1Å; K42-T46 VanDerWaalsContact O-N 3.13Å; K42-T46 PolarHBondContact O-OG1 3.11Å; Q43-T46 PolarHBondContact O-OG1 3.46Å; T46-L48 VanDerWaalsContact C-N 3.25Å; T46-L48 PolarHBondContact O-N 3.13Å |
| 47 | N | 78.5 | Confident | 79.7 | Confident | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.134 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -10.8 | -174.5 | -66.4 | 37.1 | 0 | 0 | 0 | 113.1 | Q43 L44 G45 G49 E55 | Q43-N47 PolarHBondContact O-OD1 2.85Å; L44-N47 PolarHBondContact O-N 3.27Å; G45-N47 VanDerWaalsContact C-N 3.27Å; G45-N47 PolarHBondContact O-N 3Å; N47-G49 PolarHBondContact O-N 3.47Å; N47-E55 PolarHBondContact O-N 3.07Å |
| 48 | L | 77.7 | Confident | 79.3 | Confident | 9 Ų | 9 | 71.7 Ų | 71.7 | 5% | 0.047 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -8.7 | -180 | -53 | 178.9 | 0 | 0 | 0 | 113.9 | G45 T46 I50 N91 V92 E95 | G45-L48 WeakPolarHBondContact O-CB 2.86Å; G45-L48 WeakPolarHBondContact O-CG 3.45Å; G45-L48 PolarHBondContact O-N 2.92Å; T46-L48 VanDerWaalsContact C-N 3.25Å; T46-L48 PolarHBondContact O-N 3.13Å; L48-I50 HydrophobicContact CB-CD1 4.22Å; L48-I50 HydrophobicContact CB-CG1 4.12Å; L48-I50 HydrophobicContact CD1-CD1 4.07Å; L48-N91 HydrophobicContact CD1-CB 3.66Å; L48-V92 HydrophobicContact CD1-CB 4.48Å; L48-V92 HydrophobicContact CD1-CG2 3.87Å; L48-V92 HydrophobicContact CD2-CG2 4.32Å; L48-V92 HydrophobicContact CG-CG2 4.42Å; L48-E95 HydrophobicContact CD2-CB 3.89Å; L48-E95 HydrophobicContact CD2-CG 3.91Å |
| 49 | G | 64.6 | Low | 79.1 | Confident | 27 Ų | 27 | 70.4 Ų | 70.4 | 28% | 0.278 | 39% | 0.385 | S | S | . | . | trans | 72.1 | 30 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | N47 Q52 | N47-G49 PolarHBondContact O-N 3.47Å; G49-Q52 CarbonylContact C-O 3.56Å; G49-Q52 VanDerWaalsContact C-O 3.23Å; G49-Q52 WeakPolarHBondContact CA-O 3.31Å; G49-Q52 VanDerWaalsContact O-O 3.12Å | ||
| 50 | I | 64.7 | Low | 79 | Confident | 97 Ų | 97 | 71 Ų | 71 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -75.3 | -29.5 | 178.6 | -61.8 | 173.2 | 0 | 0 | 0 | 111.5 | L48 N91 | L48-I50 HydrophobicContact CB-CD1 4.22Å; L48-I50 HydrophobicContact CB-CG1 4.12Å; L48-I50 HydrophobicContact CD1-CD1 4.07Å; I50-N91 HydrophobicContact CD1-CB 4.08Å |
| 51 | T | 62.8 | Low | 78.9 | Confident | 92 Ų | 92 | 75.2 Ų | 75.2 | 56% | 0.564 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -128.6 | -5.6 | -178.7 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | T398 | T51-T398 HydrophobicContact CG2-CG2 4.34Š|
| 52 | Q | 65.5 | Low | 78.9 | Confident | 159 Ų | 159 | 78.1 Ų | 78.1 | 74% | 0.743 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -143.1 | -175.7 | 177.9 | -61.1 | -168.8 | 7.2 | 0 | 0 | 108.4 | G49 | G49-Q52 CarbonylContact C-O 3.56Å; G49-Q52 VanDerWaalsContact C-O 3.23Å; G49-Q52 WeakPolarHBondContact CA-O 3.31Å; G49-Q52 VanDerWaalsContact O-O 3.12Å |
| 53 | N | 69.4 | Low | 79 | Confident | 151 Ų | 151 | 78.7 Ų | 78.7 | 81% | 0.807 | 42% | 0.421 | S | S | * | . | trans | -65.6 | 142.9 | 169.2 | -71 | -22 | 0 | 0 | 0 | 109.9 | ||||
| 54 | A | 72.1 | Confident | 79.3 | Confident | 34 Ų | 34 | 75.3 Ų | 75.3 | 28% | 0.281 | 41% | 0.405 | S | S | . | . | trans | -65.3 | 141.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | I106 | A54-I106 HydrophobicContact CB-CD1 4.44Å; A54-I106 HydrophobicContact CB-CG1 4.24Å; A54-I106 WeakPolarHBondContact O-CD1 3.13Å | ||
| 55 | E | 77.6 | Confident | 79.6 | Confident | 109 Ų | 109 | 74 Ų | 74 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | trans | -112.5 | 152.3 | 178.5 | -67.3 | -161.3 | 137.9 | 0 | 0 | 111.3 | N47 | N47-E55 PolarHBondContact O-N 3.07Š| ||
| 56 | P | 80 | Confident | 80 | Confident | 90 Ų | 90 | 77.9 Ų | 77.9 | 58% | 0.584 | 41% | 0.413 | S | S | * | . | trans | -56.8 | 140.3 | 174 | -24 | 34.9 | 0 | 0 | 0 | 112.2 | H58 I106 | P56-H58 PolarHBondContact O-N 3.12Å; P56-I106 WeakPolarHBondContact CA-O 3.47Å | ||
| 57 | S | 82.3 | Confident | 80.5 | Confident | 31 Ų | 31 | 81.5 Ų | 81.5 | 22% | 0.217 | 42% | 0.419 | C | S | . | . | trans | -64.6 | 131.8 | 178.4 | -168.6 | 0 | 0 | 0 | 0 | 112.4 | L59 I106 | S57-L59 VanDerWaalsContact C-N 3.27Å; S57-L59 PolarHBondContact O-N 3.34Å; S57-L59 PolarHBondContact OG-N 3.48Å; S57-I106 PolarHBondContact N-O 2.84Å | ||
| 58 | H | 84.1 | Confident | 81.2 | Confident | 140 Ų | 140 | 80.6 Ų | 80.6 | 65% | 0.648 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -79.1 | -6.4 | 174 | -66.5 | -101.6 | 0 | 0 | 0 | 113.5 | P56 V60 | P56-H58 PolarHBondContact O-N 3.12Å; H58-V60 WeakPolarHBondContact O-CG2 3.45Å; H58-V60 PolarHBondContact O-N 2.82Å |
| 59 | L | 85.7 | Confident | 81.9 | Confident | 25 Ų | 25 | 80.3 Ų | 80.3 | 13% | 0.131 | 41% | 0.413 | C | S | . | . | trans | -84.4 | 110.3 | 178.2 | -59.4 | 174.9 | 0 | 0 | 0 | 109.1 | L44 S57 E64 V65 C68 W96 P109 | L44-L59 HydrophobicContact CD2-CD1 4.08Å; S57-L59 VanDerWaalsContact C-N 3.27Å; S57-L59 PolarHBondContact O-N 3.34Å; S57-L59 PolarHBondContact OG-N 3.48Å; L59-E64 HydrophobicContact CD2-CB 3.99Å; L59-V65 HydrophobicContact CB-CG2 3.91Å; L59-V65 HydrophobicContact CD1-CG2 4.44Å; L59-C68 HydrophobicContact CD1-CB 4.12Å; L59-W96 HydrophobicContact CD1-CH2 3.91Å; L59-W96 HydrophobicContact CD1-CZ2 3.94Å; L59-P109 HydrophobicContact CB-CB 4.07Å; L59-P109 HydrophobicContact CB-CG 4.24Å; L59-P109 HydrophobicContact CD1-CG 4.11Å | ||
| 60 | V | 87.8 | Confident | 83.2 | Confident | 96 Ų | 96 | 81.2 Ų | 81.2 | 58% | 0.582 | 41% | 0.412 | S | S | * | . | trans | -113.6 | -23.3 | -170.7 | -154.7 | 0 | 0 | 0 | 0 | 112.2 | H58 E64 P111 | H58-V60 WeakPolarHBondContact O-CG2 3.45Å; H58-V60 PolarHBondContact O-N 2.82Å; V60-E64 PolarHBondContact N-OE2 3.22Å; V60-P111 WeakPolarHBondContact O-CG 3.4Å | ||
| 61 | K | 88.9 | Confident | 84.6 | Confident | 120 Ų | 120 | 76.7 Ų | 76.7 | 52% | 0.522 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -105.4 | 149.1 | 176.2 | -51.9 | -169.4 | -158.9 | 93.8 | 0 | 112.5 | E63 E64 V65 | K61-E63 VanDerWaalsContact C-N 3.29Å; K61-E63 PolarHBondContact O-N 2.95Å; K61-E64 HydrophobicContact CB-CB 4.48Å; K61-E64 HydrophobicContact CB-CG 4Å; K61-E64 HydrophobicContact CG-CG 4.49Å; K61-E64 WeakPolarHBondContact CG-OE1 3.47Å; K61-E64 PolarHBondContact N-OE2 2.84Å; K61-E64 IonicContact NZ-OE1 2.7Å; K61-E64 PolarHBondContact NZ-OE1 2.93Å; K61-E64 WeakPolarHBondContact O-CB 3.08Å; K61-E64 PolarHBondContact O-N 3.34Å; K61-E64 VanDerWaalsContact O-N 3.12Å; K61-V65 PolarHBondContact O-N 3.13Å; K61-V65 VanDerWaalsContact O-N 3.13Å |
| 62 | D | 89.8 | Confident | 86 | Confident | 61 Ų | 61 | 72.3 Ų | 72.3 | 33% | 0.326 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -51.6 | -44.3 | 170.9 | 171 | 45.9 | 0 | 0 | 0 | 112.9 | E64 V65 K66 Y119 | D62-E64 VanDerWaalsContact C-N 3.33Å; D62-E64 PolarHBondContact O-N 3.28Å; D62-V65 PolarHBondContact O-N 2.78Å; D62-K66 WeakPolarHBondContact O-CB 3.13Å; D62-K66 WeakPolarHBondContact O-CG 3.48Å; D62-K66 PolarHBondContact O-N 3.44Å; D62-K66 VanDerWaalsContact OD1-CD 3.24Å; D62-K66 WeakPolarHBondContact OD1-CD 3.5Å; D62-K66 WeakPolarHBondContact OD1-CE 3.44Å; D62-K66 IonicContact OD1-NZ 2.67Å; D62-K66 PolarHBondContact OD1-NZ 3.39Å; D62-K66 IonicContact OD2-NZ 3.81Å; D62-K66 PolarHBondContact OD2-NZ 2.85Å; D62-Y119 PolarHBondContact OD1-OH 2.99Å |
| 63 | E | 90.6 | Very high | 87.3 | Confident | 153 Ų | 153 | 64.8 Ų | 64.8 | 72% | 0.715 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.2 | -39.3 | 177.4 | -65.6 | 173.4 | -141.4 | 0 | 0 | 113 | K61 W67 | K61-E63 VanDerWaalsContact C-N 3.29Å; K61-E63 PolarHBondContact O-N 2.95Å; E63-W67 PolarHBondContact O-N 3.26Å |
| 64 | E | 92.5 | Very high | 88.3 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 27% | 0.271 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.6 | -44.3 | 179.8 | -63 | 159.3 | -176.5 | 0 | 0 | 110.2 | L59 V60 K61 D62 C68 | L59-E64 HydrophobicContact CD2-CB 3.99Å; V60-E64 PolarHBondContact N-OE2 3.22Å; K61-E64 HydrophobicContact CB-CB 4.48Å; K61-E64 HydrophobicContact CB-CG 4Å; K61-E64 HydrophobicContact CG-CG 4.49Å; K61-E64 WeakPolarHBondContact CG-OE1 3.47Å; K61-E64 PolarHBondContact N-OE2 2.84Å; K61-E64 IonicContact NZ-OE1 2.7Å; K61-E64 PolarHBondContact NZ-OE1 2.93Å; K61-E64 WeakPolarHBondContact O-CB 3.08Å; K61-E64 PolarHBondContact O-N 3.34Å; K61-E64 VanDerWaalsContact O-N 3.12Å; D62-E64 VanDerWaalsContact C-N 3.33Å; D62-E64 PolarHBondContact O-N 3.28Å; E64-C68 PolarHBondContact O-N 3.1Å; E64-C68 VanDerWaalsContact O-N 3.12Å |
| 65 | V | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 174.9 | 174 | 0 | 0 | 0 | 0 | 111.1 | L59 K61 D62 W67 C68 M69 P109 P111 I112 Y119 | L59-V65 HydrophobicContact CB-CG2 3.91Å; L59-V65 HydrophobicContact CD1-CG2 4.44Å; K61-V65 PolarHBondContact O-N 3.13Å; K61-V65 VanDerWaalsContact O-N 3.13Å; D62-V65 PolarHBondContact O-N 2.78Å; V65-W67 VanDerWaalsContact C-N 3.33Å; V65-W67 PolarHBondContact O-N 3.09Å; V65-C68 PolarHBondContact O-N 3.12Å; V65-M69 HydrophobicContact CG1-CG 4.31Å; V65-M69 HydrophobicContact CG1-SD 4.09Å; V65-M69 WeakPolarHBondContact O-CG 3.49Å; V65-M69 PolarHBondContact O-N 2.88Å; V65-P109 HydrophobicContact CG2-CB 3.61Å; V65-P109 HydrophobicContact CG2-CG 4.19Å; V65-P111 HydrophobicContact CG2-CB 4.2Å; V65-P111 HydrophobicContact CG2-CG 3.94Å; V65-I112 HydrophobicContact CG1-CD1 3.76Å; V65-I112 HydrophobicContact CG1-CG1 3.74Å; V65-Y119 HydrophobicContact CB-CE1 4.48Å; V65-Y119 HydrophobicContact CG1-CD1 4.08Å; V65-Y119 HydrophobicContact CG1-CE1 3.74Å |
| 66 | K | 91.2 | Very high | 89.7 | Confident | 89 Ų | 89 | 51.3 Ų | 51.3 | 39% | 0.387 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | -179.9 | -80.3 | 171.3 | 173.5 | 153.6 | 0 | 112.5 | D62 M69 D70 | D62-K66 WeakPolarHBondContact O-CB 3.13Å; D62-K66 WeakPolarHBondContact O-CG 3.48Å; D62-K66 PolarHBondContact O-N 3.44Å; D62-K66 VanDerWaalsContact OD1-CD 3.24Å; D62-K66 WeakPolarHBondContact OD1-CD 3.5Å; D62-K66 WeakPolarHBondContact OD1-CE 3.44Å; D62-K66 IonicContact OD1-NZ 2.67Å; D62-K66 PolarHBondContact OD1-NZ 3.39Å; D62-K66 IonicContact OD2-NZ 3.81Å; D62-K66 PolarHBondContact OD2-NZ 2.85Å; K66-M69 PolarHBondContact O-N 3.28Å; K66-D70 PolarHBondContact O-N 3.04Å |
| 67 | W | 92.9 | Very high | 90 | Very high | 145 Ų | 145 | 48.4 Ų | 48.4 | 55% | 0.549 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.8 | -47.3 | 174.5 | -174.8 | 81.7 | 0 | 0 | 0 | 111.8 | V40 E63 V65 M69 D70 V71 | V40-W67 HydrophobicContact CG1-CZ3 4.15Å; V40-W67 HydrophobicContact CG2-CH2 3.7Å; V40-W67 HydrophobicContact CG2-CZ3 3.86Å; E63-W67 PolarHBondContact O-N 3.26Å; V65-W67 VanDerWaalsContact C-N 3.33Å; V65-W67 PolarHBondContact O-N 3.09Å; W67-M69 VanDerWaalsContact C-N 3.28Å; W67-M69 PolarHBondContact O-N 3.45Å; W67-D70 PolarHBondContact O-N 3.38Å; W67-V71 HydrophobicContact CD2-CG2 4.15Å; W67-V71 HydrophobicContact CE3-CG2 4.21Å; W67-V71 HydrophobicContact CH2-CG2 4.03Å; W67-V71 HydrophobicContact CZ2-CG2 3.93Å; W67-V71 HydrophobicContact CZ3-CG2 4.16Å; W67-V71 WeakPolarHBondContact O-CG2 3.43Å; W67-V71 PolarHBondContact O-N 3.49Å; W67-V71 VanDerWaalsContact O-N 3.1Å |
| 68 | C | 93.4 | Very high | 90.3 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.5 | -35.7 | 174.6 | -73.9 | 0 | 0 | 0 | 0 | 112.8 | L44 L59 E64 V65 V71 I72 W96 | L44-C68 HydrophobicContact CD1-CB 4.17Å; L59-C68 HydrophobicContact CD1-CB 4.12Å; E64-C68 PolarHBondContact O-N 3.1Å; E64-C68 VanDerWaalsContact O-N 3.12Å; V65-C68 PolarHBondContact O-N 3.12Å; C68-V71 PolarHBondContact O-N 2.97Å; C68-I72 WeakPolarHBondContact O-CD1 3.29Å; C68-I72 VanDerWaalsContact O-CG1 3.25Å; C68-I72 WeakPolarHBondContact O-CG1 3.41Å; C68-I72 PolarHBondContact O-N 2.66Å; C68-W96 HydrophobicContact CB-CH2 4.23Å |
| 69 | M | 92.7 | Very high | 90.2 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.7 | -39.1 | 175.7 | -73.3 | -171.6 | 67.5 | 0 | 0 | 113 | V65 K66 W67 V71 I72 C73 Y93 W96 Y119 Q122 I123 | V65-M69 HydrophobicContact CG1-CG 4.31Å; V65-M69 HydrophobicContact CG1-SD 4.09Å; V65-M69 WeakPolarHBondContact O-CG 3.49Å; V65-M69 PolarHBondContact O-N 2.88Å; K66-M69 PolarHBondContact O-N 3.28Å; W67-M69 VanDerWaalsContact C-N 3.28Å; W67-M69 PolarHBondContact O-N 3.45Å; M69-V71 VanDerWaalsContact C-N 3.34Å; M69-I72 PolarHBondContact O-N 3.14Å; M69-C73 VanDerWaalsContact O-CB 3.24Å; M69-C73 WeakPolarHBondContact O-CB 3.36Å; M69-C73 PolarHBondContact O-N 3.22Å; M69-Y93 VanDerWaalsContact CA-OH 3.26Å; M69-Y93 WeakPolarHBondContact CA-OH 3.43Å; M69-Y93 WeakPolarHBondContact CB-OH 3.46Å; M69-Y93 HydrophobicContact CE-CE1 4.36Å; M69-Y93 HydrophobicContact CG-CE1 4.06Å; M69-Y93 PolarHBondContact O-OH 2.91Å; M69-W96 HydrophobicContact CG-CE3 4.5Å; M69-W96 HydrophobicContact CG-CZ3 3.79Å; M69-Y119 HydrophobicContact SD-CD1 3.77Å; M69-Y119 HydrophobicContact SD-CE1 4.48Å; M69-Q122 HydrophobicContact CE-CB 3.53Å; M69-I123 HydrophobicContact CE-CG1 3.63Å |
| 70 | D | 91.1 | Very high | 89.9 | Confident | 47 Ų | 47 | 43.5 Ų | 43.5 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 174.4 | -164.6 | 83.7 | 0 | 0 | 0 | 111 | S23 V24 K66 W67 C73 F74 | S23-D70 WeakPolarHBondContact CA-OD1 3.31Å; S23-D70 WeakPolarHBondContact CA-OD2 3.04Å; S23-D70 VanDerWaalsContact CB-O 3.24Å; S23-D70 WeakPolarHBondContact CB-O 3.29Å; S23-D70 WeakPolarHBondContact CB-OD2 3.26Å; S23-D70 PolarHBondContact OG-O 3.45Å; S23-D70 VanDerWaalsContact OG-O 3.08Å; S23-D70 PolarHBondContact OG-OD2 2.85Å; V24-D70 PolarHBondContact N-OD1 3.33Å; V24-D70 PolarHBondContact N-OD2 3.34Å; K66-D70 PolarHBondContact O-N 3.04Å; W67-D70 PolarHBondContact O-N 3.38Å; D70-C73 WeakPolarHBondContact O-CB 3.36Å; D70-C73 PolarHBondContact O-N 3.39Å; D70-F74 PolarHBondContact O-N 2.86Å; D70-F74 VanDerWaalsContact O-N 3.12Å |
| 71 | V | 93.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -48.9 | 174.3 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | L25 V36 V37 V40 V41 W67 C68 M69 C73 F74 G75 | L25-V71 HydrophobicContact CD1-CB 4.47Å; L25-V71 HydrophobicContact CD1-CG1 4.4Å; L25-V71 HydrophobicContact CD1-CG2 4.24Å; V36-V71 HydrophobicContact CG1-CG1 4.3Å; V36-V71 HydrophobicContact CG1-CG2 4.31Å; V37-V71 HydrophobicContact CB-CG1 4.36Å; V37-V71 HydrophobicContact CG2-CG1 3.82Å; V37-V71 VanDerWaalsContact CG2-O 3.28Å; V37-V71 WeakPolarHBondContact CG2-O 3.45Å; V40-V71 HydrophobicContact CB-CG1 3.95Å; V40-V71 HydrophobicContact CG1-CG1 4.05Å; V40-V71 HydrophobicContact CG2-CG1 4.35Å; V41-V71 HydrophobicContact CG2-CG1 4.5Å; W67-V71 HydrophobicContact CD2-CG2 4.15Å; W67-V71 HydrophobicContact CE3-CG2 4.21Å; W67-V71 HydrophobicContact CH2-CG2 4.03Å; W67-V71 HydrophobicContact CZ2-CG2 3.93Å; W67-V71 HydrophobicContact CZ3-CG2 4.16Å; W67-V71 WeakPolarHBondContact O-CG2 3.43Å; W67-V71 PolarHBondContact O-N 3.49Å; W67-V71 VanDerWaalsContact O-N 3.1Å; C68-V71 PolarHBondContact O-N 2.97Å; M69-V71 VanDerWaalsContact C-N 3.34Å; V71-C73 VanDerWaalsContact C-N 3.25Å; V71-C73 PolarHBondContact O-N 3.03Å; V71-F74 PolarHBondContact O-N 3.33Å; V71-G75 PolarHBondContact O-N 3.2Å |
| 72 | I | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.1 | -34 | 176.8 | -64.1 | 160 | 0 | 0 | 0 | 110.9 | V41 L44 C68 M69 G75 L76 C89 V92 Y93 W96 | V41-I72 HydrophobicContact CG2-CG1 3.93Å; L44-I72 HydrophobicContact CD1-CD1 4.07Å; C68-I72 WeakPolarHBondContact O-CD1 3.29Å; C68-I72 VanDerWaalsContact O-CG1 3.25Å; C68-I72 WeakPolarHBondContact O-CG1 3.41Å; C68-I72 PolarHBondContact O-N 2.66Å; M69-I72 PolarHBondContact O-N 3.14Å; I72-G75 WeakPolarHBondContact O-CA 3.48Å; I72-G75 PolarHBondContact O-N 3.39Å; I72-G75 VanDerWaalsContact O-N 3.1Å; I72-L76 HydrophobicContact CG2-CD1 4.45Å; I72-L76 HydrophobicContact CG2-CG 4.48Å; I72-L76 WeakPolarHBondContact O-CG 3.39Å; I72-L76 PolarHBondContact O-N 3.1Å; I72-C89 HydrophobicContact CG2-CB 3.86Å; I72-V92 HydrophobicContact CD1-CB 4.44Å; I72-V92 HydrophobicContact CD1-CG1 3.78Å; I72-Y93 HydrophobicContact CB-CE1 3.96Å; I72-Y93 HydrophobicContact CB-CE2 4.19Å; I72-Y93 HydrophobicContact CD1-CD1 4.07Å; I72-Y93 HydrophobicContact CD1-CE1 3.62Å; I72-Y93 HydrophobicContact CG1-CE1 4.4Å; I72-Y93 HydrophobicContact CG2-CD1 4.01Å; I72-Y93 HydrophobicContact CG2-CD2 3.81Å; I72-Y93 HydrophobicContact CG2-CE1 3.7Å; I72-Y93 HydrophobicContact CG2-CE2 3.43Å; I72-Y93 VanDerWaalsContact CG2-CE2 3.43Å; I72-Y93 HydrophobicContact CG2-CG 4.08Å; I72-W96 HydrophobicContact CD1-CH2 4.03Å; I72-W96 HydrophobicContact CD1-CZ3 4.05Å |
| 73 | C | 91.6 | Very high | 89 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 176.1 | -167.2 | 0 | 0 | 0 | 0 | 112.1 | C21 M69 D70 V71 G75 S77 H126 N129 | C21-C73 WeakPolarHBondContact CB-SG 3.44Å; C21-C73 PolarHBondContact O-SG 2.97Å; M69-C73 VanDerWaalsContact O-CB 3.24Å; M69-C73 WeakPolarHBondContact O-CB 3.36Å; M69-C73 PolarHBondContact O-N 3.22Å; D70-C73 WeakPolarHBondContact O-CB 3.36Å; D70-C73 PolarHBondContact O-N 3.39Å; V71-C73 VanDerWaalsContact C-N 3.25Å; V71-C73 PolarHBondContact O-N 3.03Å; C73-G75 VanDerWaalsContact C-N 3.33Å; C73-S77 PolarHBondContact O-OG 3.28Å; C73-H126 HydrophobicContact CB-CB 4.42Å; C73-H126 PolarHBondContact SG-CD2 2.87Å; C73-N129 PolarHBondContact O-ND2 3.49Å; C73-N129 PolarHBondContact SG-ND2 2.96Å |
| 74 | F | 90.4 | Very high | 88.8 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 5% | 0.053 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.6 | -40.3 | 169.9 | -170.8 | -90.8 | 0 | 0 | 0 | 111.8 | L25 N26 G33 V37 D70 V71 L76 S77 L78 | L25-F74 HydrophobicContact CB-CB 3.96Å; L25-F74 HydrophobicContact CB-CD1 4.36Å; L25-F74 HydrophobicContact CB-CD2 3.42Å; L25-F74 VanDerWaalsContact CB-CD2 3.42Å; L25-F74 HydrophobicContact CB-CE2 3.93Å; L25-F74 HydrophobicContact CB-CG 3.66Å; L25-F74 HydrophobicContact CD1-CB 3.84Å; L25-F74 HydrophobicContact CD1-CD1 4.31Å; L25-F74 HydrophobicContact CD1-CG 4.03Å; L25-F74 HydrophobicContact CG-CB 4.45Å; L25-F74 HydrophobicContact CG-CG 4.5Å; N26-F74 WeakPolarHBondContact OD1-CD2 3.26Å; N26-F74 WeakPolarHBondContact OD1-CE2 3.13Å; G33-F74 VanDerWaalsContact C-CE1 3.41Å; V37-F74 HydrophobicContact CG2-CB 4.1Å; V37-F74 HydrophobicContact CG2-CD1 3.68Å; V37-F74 HydrophobicContact CG2-CG 4.34Å; D70-F74 PolarHBondContact O-N 2.86Å; D70-F74 VanDerWaalsContact O-N 3.12Å; V71-F74 PolarHBondContact O-N 3.33Å; F74-L76 PolarHBondContact O-N 3.17Å; F74-S77 WeakPolarHBondContact CA-OG 3.33Å; F74-S77 CarbonylContact O-C 3.28Å; F74-S77 WeakPolarHBondContact O-CA 3.46Å; F74-S77 PolarHBondContact O-N 3.24Å; F74-S77 PolarHBondContact O-OG 3.5Å; F74-L78 HydrophobicContact CD1-CD2 4.23Å; F74-L78 HydrophobicContact CE1-CD2 3.77Å; F74-L78 PolarHBondContact O-N 3.34Å |
| 75 | G | 90.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.2 | -41.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V71 I72 C73 S77 L78 | V71-G75 PolarHBondContact O-N 3.2Å; I72-G75 WeakPolarHBondContact O-CA 3.48Å; I72-G75 PolarHBondContact O-N 3.39Å; I72-G75 VanDerWaalsContact O-N 3.1Å; C73-G75 VanDerWaalsContact C-N 3.33Å; G75-S77 PolarHBondContact O-N 3.09Å; G75-L78 WeakPolarHBondContact O-CB 3.38Å; G75-L78 PolarHBondContact O-N 2.89Å; G75-L78 VanDerWaalsContact O-N 3.14Å |
| 76 | L | 90.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.6 | -21.8 | 173 | -66.7 | 171.2 | 0 | 0 | 0 | 112.9 | I72 F74 C89 V90 Y93 H126 F127 N129 R134 | I72-L76 HydrophobicContact CG2-CD1 4.45Å; I72-L76 HydrophobicContact CG2-CG 4.48Å; I72-L76 WeakPolarHBondContact O-CG 3.39Å; I72-L76 PolarHBondContact O-N 3.1Å; F74-L76 PolarHBondContact O-N 3.17Å; L76-C89 HydrophobicContact CD2-CB 3.65Å; L76-C89 HydrophobicContact CG-CB 3.97Å; L76-V90 HydrophobicContact CD2-CG2 3.76Å; L76-Y93 HydrophobicContact CD1-CD2 3.88Å; L76-Y93 HydrophobicContact CD1-CE2 3.82Å; L76-H126 HydrophobicContact CD1-CB 4.38Å; L76-H126 WeakPolarHBondContact CD1-O 3.27Å; L76-F127 HydrophobicContact CD1-CD1 4.08Å; L76-N129 HydrophobicContact CB-CB 3.78Å; L76-N129 CarbonylContact O-C 3.56Å; L76-R134 PolarHBondContact O-NH2 3.44Å |
| 77 | S | 86.4 | Confident | 88.7 | Confident | 29 Ų | 29 | 32 Ų | 32 | 20% | 0.203 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 0.3 | 174.1 | 47 | 0 | 0 | 0 | 0 | 115.4 | C73 F74 G75 R134 | C73-S77 PolarHBondContact O-OG 3.28Å; F74-S77 WeakPolarHBondContact CA-OG 3.33Å; F74-S77 CarbonylContact O-C 3.28Å; F74-S77 WeakPolarHBondContact O-CA 3.46Å; F74-S77 PolarHBondContact O-N 3.24Å; F74-S77 PolarHBondContact O-OG 3.5Å; G75-S77 PolarHBondContact O-N 3.09Å; S77-R134 VanDerWaalsContact C-NH1 3.32Å; S77-R134 PolarHBondContact O-NH1 3.49Å |
| 78 | L | 87.2 | Confident | 88.6 | Confident | 8 Ų | 8 | 27 Ų | 27 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -64.3 | 154.6 | 177.8 | -74.1 | 173.2 | 0 | 0 | 0 | 114.2 | R34 V37 F74 G75 E82 T85 I86 R134 | R34-L78 HydrophobicContact CB-CD2 4.11Å; R34-L78 HydrophobicContact CG-CD2 4.29Å; V37-L78 HydrophobicContact CB-CD1 4.45Å; V37-L78 HydrophobicContact CG1-CD1 4.04Å; F74-L78 HydrophobicContact CD1-CD2 4.23Å; F74-L78 HydrophobicContact CE1-CD2 3.77Å; F74-L78 PolarHBondContact O-N 3.34Å; G75-L78 WeakPolarHBondContact O-CB 3.38Å; G75-L78 PolarHBondContact O-N 2.89Å; G75-L78 VanDerWaalsContact O-N 3.14Å; L78-E82 HydrophobicContact CB-CB 4.13Å; L78-E82 HydrophobicContact CB-CG 4.12Å; L78-E82 HydrophobicContact CD1-CB 4.32Å; L78-E82 HydrophobicContact CD1-CG 4.43Å; L78-T85 HydrophobicContact CD1-CG2 3.73Å; L78-I86 HydrophobicContact CB-CD1 4.33Å; L78-I86 HydrophobicContact CB-CG1 4.17Å; L78-I86 WeakPolarHBondContact O-CD1 3.42Å; L78-R134 PolarHBondContact O-NE 3.35Å; L78-R134 PolarHBondContact O-NH1 2.94Å; L78-R134 PolarHBondContact O-NH2 3.1Å |
| 79 | P | 82.2 | Confident | 88.6 | Confident | 64 Ų | 64 | 26.6 Ų | 26.6 | 42% | 0.416 | 14% | 0.138 | S | C | . | . | trans | -59.5 | 151.3 | 174.8 | -23.5 | 34.9 | 0 | 0 | 0 | 113.8 | Q81 E82 | P79-Q81 PolarHBondContact O-N 3.44Å; P79-Q81 VanDerWaalsContact O-N 3.09Å; P79-E82 VanDerWaalsContact O-CB 3.32Å; P79-E82 WeakPolarHBondContact O-CB 3.36Å; P79-E82 WeakPolarHBondContact O-CG 3.24Å; P79-E82 PolarHBondContact O-N 2.9Å | ||
| 80 | L | 79.8 | Confident | 88.7 | Confident | 21 Ų | 21 | 26.5 Ų | 26.5 | 11% | 0.11 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -65 | -15.2 | -175.5 | -74.8 | 168.7 | 0 | 0 | 0 | 114.9 | E82 H83 T151 Q155 | L80-E82 PolarHBondContact O-N 2.95Å; L80-H83 PolarHBondContact O-N 3.26Å; L80-T151 HydrophobicContact CB-CG2 4.3Å; L80-Q155 HydrophobicContact CD1-CB 4.31Å; L80-Q155 HydrophobicContact CD2-CB 3.8Å; L80-Q155 HydrophobicContact CD2-CG 4.11Å |
| 81 | Q | 79 | Confident | 88.7 | Confident | 121 Ų | 121 | 24.6 Ų | 24.6 | 57% | 0.565 | 13% | 0.127 | S | C | * | . | G | 310 helix | trans | -64.1 | -22 | 169.7 | -59.3 | 87.4 | 7.6 | 0 | 0 | 112.1 | P79 H83 E137 | P79-Q81 PolarHBondContact O-N 3.44Å; P79-Q81 VanDerWaalsContact O-N 3.09Å; Q81-H83 VanDerWaalsContact C-N 3.26Å; Q81-H83 PolarHBondContact O-N 3.12Å; Q81-E137 PolarHBondContact NE2-OE1 3.45Å |
| 82 | E | 83.7 | Confident | 88.7 | Confident | 31 Ų | 31 | 24.6 Ų | 24.6 | 15% | 0.145 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -86.5 | 29.3 | 177.9 | -49.9 | -65.3 | 153.6 | 0 | 0 | 113.3 | R34 L78 P79 L80 E84 T85 I86 | R34-E82 IonicContact CZ-OE1 2.74Å; R34-E82 IonicContact CZ-OE2 2.64Å; R34-E82 IonicContact NE-OE1 3.81Å; R34-E82 PolarHBondContact NE-OE1 2.59Å; R34-E82 IonicContact NE-OE2 2.69Å; R34-E82 PolarHBondContact NE-OE2 3.42Å; R34-E82 IonicContact NH1-OE1 3.86Å; R34-E82 IonicContact NH2-OE1 2.86Å; R34-E82 PolarHBondContact NH2-OE1 2.87Å; R34-E82 IonicContact NH2-OE2 3.64Å; R34-E82 PolarHBondContact NH2-OE2 3.08Å; L78-E82 HydrophobicContact CB-CB 4.13Å; L78-E82 HydrophobicContact CB-CG 4.12Å; L78-E82 HydrophobicContact CD1-CB 4.32Å; L78-E82 HydrophobicContact CD1-CG 4.43Å; P79-E82 VanDerWaalsContact O-CB 3.32Å; P79-E82 WeakPolarHBondContact O-CB 3.36Å; P79-E82 WeakPolarHBondContact O-CG 3.24Å; P79-E82 PolarHBondContact O-N 2.9Å; L80-E82 PolarHBondContact O-N 2.95Å; E82-E84 VanDerWaalsContact C-N 3.32Å; E82-E84 PolarHBondContact O-N 3.46Å; E82-E84 VanDerWaalsContact O-N 3.09Å; E82-T85 WeakPolarHBondContact O-CB 3.35Å; E82-T85 PolarHBondContact O-N 2.91Å; E82-I86 PolarHBondContact O-N 3.49Å |
| 83 | H | 85.2 | Confident | 88.8 | Confident | 27 Ų | 27 | 24.6 Ų | 24.6 | 13% | 0.125 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -47.8 | -45.2 | -166.3 | 179.5 | 68.8 | 0 | 0 | 0 | 115 | L80 Q81 T85 I86 K87 | L80-H83 PolarHBondContact O-N 3.26Å; Q81-H83 VanDerWaalsContact C-N 3.26Å; Q81-H83 PolarHBondContact O-N 3.12Å; H83-T85 PolarHBondContact O-N 3.4Å; H83-I86 PolarHBondContact O-N 2.93Å; H83-K87 WeakPolarHBondContact O-CB 3.47Å; H83-K87 PolarHBondContact O-N 3.06Å |
| 84 | E | 87 | Confident | 88.9 | Confident | 101 Ų | 101 | 24.9 Ų | 24.9 | 47% | 0.472 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -64.3 | -38.8 | -179.6 | -66.7 | -64.4 | 116.8 | 0 | 0 | 112.4 | E82 I86 K87 D88 | E82-E84 VanDerWaalsContact C-N 3.32Å; E82-E84 PolarHBondContact O-N 3.46Å; E82-E84 VanDerWaalsContact O-N 3.09Å; E84-I86 PolarHBondContact O-N 3.17Å; E84-K87 WeakPolarHBondContact O-CB 3.36Å; E84-K87 PolarHBondContact O-N 3.01Å; E84-K87 VanDerWaalsContact OE1-CD 3.31Å; E84-K87 WeakPolarHBondContact OE1-CD 3.34Å; E84-K87 IonicContact OE1-NZ 2.74Å; E84-K87 PolarHBondContact OE1-NZ 2.99Å; E84-K87 IonicContact OE2-NZ 2.67Å; E84-K87 PolarHBondContact OE2-NZ 3.12Å; E84-D88 PolarHBondContact O-N 3.47Å |
| 85 | T | 90.3 | Very high | 88.9 | Confident | 20 Ų | 20 | 25.2 Ų | 25.2 | 12% | 0.123 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.2 | -40.8 | 176 | -45.1 | 0 | 0 | 0 | 0 | 111.4 | V37 V38 L78 E82 H83 C89 | V37-T85 HydrophobicContact CG1-CG2 3.62Å; V38-T85 HydrophobicContact CG2-CG2 3.79Å; L78-T85 HydrophobicContact CD1-CG2 3.73Å; E82-T85 WeakPolarHBondContact O-CB 3.35Å; E82-T85 PolarHBondContact O-N 2.91Å; H83-T85 PolarHBondContact O-N 3.4Å; T85-C89 PolarHBondContact O-N 3.5Å; T85-C89 PolarHBondContact O-SG 2.99Å |
| 86 | I | 91 | Very high | 89.1 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70.7 | -40.5 | 178.1 | -54.9 | 170.5 | 0 | 0 | 0 | 110.4 | L78 E82 H83 E84 D88 C89 V90 L130 L158 | L78-I86 HydrophobicContact CB-CD1 4.33Å; L78-I86 HydrophobicContact CB-CG1 4.17Å; L78-I86 WeakPolarHBondContact O-CD1 3.42Å; E82-I86 PolarHBondContact O-N 3.49Å; H83-I86 PolarHBondContact O-N 2.93Å; E84-I86 PolarHBondContact O-N 3.17Å; I86-D88 VanDerWaalsContact C-N 3.34Å; I86-D88 PolarHBondContact O-N 2.99Å; I86-C89 WeakPolarHBondContact O-CB 3.24Å; I86-C89 PolarHBondContact O-N 2.98Å; I86-V90 WeakPolarHBondContact O-CG2 3.24Å; I86-V90 PolarHBondContact O-N 3.17Å; I86-L130 HydrophobicContact CG2-CD1 3.7Å; I86-L158 HydrophobicContact CB-CD1 4.25Å; I86-L158 HydrophobicContact CG2-CD1 3.86Å |
| 87 | K | 91.3 | Very high | 89.3 | Confident | 35 Ų | 35 | 25.5 Ų | 25.5 | 15% | 0.152 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.7 | -44 | 173.6 | 169.9 | -168.7 | 177.9 | -171.7 | 0 | 111.3 | H83 E84 V90 N91 L158 | H83-K87 WeakPolarHBondContact O-CB 3.47Å; H83-K87 PolarHBondContact O-N 3.06Å; E84-K87 WeakPolarHBondContact O-CB 3.36Å; E84-K87 PolarHBondContact O-N 3.01Å; E84-K87 VanDerWaalsContact OE1-CD 3.31Å; E84-K87 WeakPolarHBondContact OE1-CD 3.34Å; E84-K87 IonicContact OE1-NZ 2.74Å; E84-K87 PolarHBondContact OE1-NZ 2.99Å; E84-K87 IonicContact OE2-NZ 2.67Å; E84-K87 PolarHBondContact OE2-NZ 3.12Å; K87-V90 WeakPolarHBondContact O-CB 3.47Å; K87-V90 PolarHBondContact O-N 3.04Å; K87-N91 PolarHBondContact O-N 3.12Å; K87-N91 PolarHBondContact O-ND2 3.08Å; K87-N91 VanDerWaalsContact O-ND2 3.15Å; K87-L158 HydrophobicContact CB-CD1 4.45Å; K87-L158 HydrophobicContact CB-CD2 3.93Å; K87-L158 HydrophobicContact CG-CD2 4.25Å |
| 88 | D | 91 | Very high | 89.6 | Confident | 39 Ų | 39 | 24.7 Ų | 24.7 | 21% | 0.209 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.4 | -36.6 | 176.3 | -73.6 | -19.2 | 0 | 0 | 0 | 112.9 | V41 E84 I86 V90 N91 V92 | V41-D88 HydrophobicContact CG1-CB 3.78Å; E84-D88 PolarHBondContact O-N 3.47Å; I86-D88 VanDerWaalsContact C-N 3.34Å; I86-D88 PolarHBondContact O-N 2.99Å; D88-V90 VanDerWaalsContact C-N 3.29Å; D88-V90 PolarHBondContact O-N 3.35Å; D88-N91 PolarHBondContact O-N 2.86Å; D88-N91 PolarHBondContact OD1-ND2 2.9Å; D88-V92 WeakPolarHBondContact O-CG2 3.48Å; D88-V92 PolarHBondContact O-N 3.45Å |
| 89 | C | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.3 | -46.2 | 169 | -68.1 | 0 | 0 | 0 | 0 | 111.5 | V41 I72 L76 T85 I86 Y93 | V41-C89 HydrophobicContact CG1-CB 4.49Å; I72-C89 HydrophobicContact CG2-CB 3.86Å; L76-C89 HydrophobicContact CD2-CB 3.65Å; L76-C89 HydrophobicContact CG-CB 3.97Å; T85-C89 PolarHBondContact O-N 3.5Å; T85-C89 PolarHBondContact O-SG 2.99Å; I86-C89 WeakPolarHBondContact O-CB 3.24Å; I86-C89 PolarHBondContact O-N 2.98Å; C89-Y93 PolarHBondContact O-N 3.25Å |
| 90 | V | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.9 | -43.1 | 176 | 166.4 | 0 | 0 | 0 | 0 | 111.4 | L76 I86 K87 D88 C94 F127 L130 R161 V162 | L76-V90 HydrophobicContact CD2-CG2 3.76Å; I86-V90 WeakPolarHBondContact O-CG2 3.24Å; I86-V90 PolarHBondContact O-N 3.17Å; K87-V90 WeakPolarHBondContact O-CB 3.47Å; K87-V90 PolarHBondContact O-N 3.04Å; D88-V90 VanDerWaalsContact C-N 3.29Å; D88-V90 PolarHBondContact O-N 3.35Å; V90-C94 WeakPolarHBondContact O-CB 3.37Å; V90-C94 PolarHBondContact O-N 3.28Å; V90-C94 PolarHBondContact O-SG 3.08Å; V90-F127 HydrophobicContact CG2-CE1 4.38Å; V90-L130 HydrophobicContact CG2-CD1 4.3Å; V90-L130 HydrophobicContact CG2-CD2 3.74Å; V90-R161 HydrophobicContact CG1-CG 4.48Å; V90-V162 HydrophobicContact CB-CG2 4.48Å; V90-V162 HydrophobicContact CG1-CG2 3.65Å; V90-V162 HydrophobicContact CG2-CG2 4.09Å |
| 91 | N | 92.2 | Very high | 90.9 | Very high | 7 Ų | 7 | 22.1 Ų | 22.1 | 4% | 0.037 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.3 | -47.7 | 178.7 | -69.3 | -32.2 | 0 | 0 | 0 | 111.8 | L48 I50 K87 D88 C94 E95 R161 | L48-N91 HydrophobicContact CD1-CB 3.66Å; I50-N91 HydrophobicContact CD1-CB 4.08Å; K87-N91 PolarHBondContact O-N 3.12Å; K87-N91 PolarHBondContact O-ND2 3.08Å; K87-N91 VanDerWaalsContact O-ND2 3.15Å; D88-N91 PolarHBondContact O-N 2.86Å; D88-N91 PolarHBondContact OD1-ND2 2.9Å; N91-C94 PolarHBondContact O-N 2.91Å; N91-E95 WeakPolarHBondContact O-CB 3.32Å; N91-E95 PolarHBondContact O-N 3.01Å; N91-R161 PolarHBondContact OD1-NE 3.34Å; N91-R161 PolarHBondContact OD1-NH1 2.95Å; N91-R161 PolarHBondContact OD1-NH2 3.48Å; N91-R161 VanDerWaalsContact OD1-NH2 3.09Å |
| 92 | V | 93 | Very high | 91.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.6 | -49.7 | -179.7 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | L44 L48 I72 D88 E95 W96 | L44-V92 HydrophobicContact CB-CG1 4.45Å; L44-V92 HydrophobicContact CB-CG2 3.83Å; L48-V92 HydrophobicContact CD1-CB 4.48Å; L48-V92 HydrophobicContact CD1-CG2 3.87Å; L48-V92 HydrophobicContact CD2-CG2 4.32Å; L48-V92 HydrophobicContact CG-CG2 4.42Å; I72-V92 HydrophobicContact CD1-CB 4.44Å; I72-V92 HydrophobicContact CD1-CG1 3.78Å; D88-V92 WeakPolarHBondContact O-CG2 3.48Å; D88-V92 PolarHBondContact O-N 3.45Å; V92-E95 PolarHBondContact O-N 3.28Å; V92-W96 HydrophobicContact CG1-CD2 3.84Å; V92-W96 VanDerWaalsContact CG1-CE2 3.43Å; V92-W96 HydrophobicContact CG1-CE3 4.33Å; V92-W96 HydrophobicContact CG1-CG 4.36Å; V92-W96 HydrophobicContact CG1-CH2 4.15Å; V92-W96 HydrophobicContact CG1-CZ2 3.61Å; V92-W96 HydrophobicContact CG1-CZ3 4.47Å; V92-W96 VanDerWaalsContact O-CD1 3.31Å; V92-W96 VanDerWaalsContact O-CG 3.28Å; V92-W96 PolarHBondContact O-N 3.19Å |
| 93 | Y | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.4 | -35.3 | 179.3 | -82.3 | -4.5 | 0 | 0 | 0 | 114.1 | M69 I72 L76 C89 E95 W96 L97 I123 H126 F127 | M69-Y93 VanDerWaalsContact CA-OH 3.26Å; M69-Y93 WeakPolarHBondContact CA-OH 3.43Å; M69-Y93 WeakPolarHBondContact CB-OH 3.46Å; M69-Y93 HydrophobicContact CE-CE1 4.36Å; M69-Y93 HydrophobicContact CG-CE1 4.06Å; M69-Y93 PolarHBondContact O-OH 2.91Å; I72-Y93 HydrophobicContact CB-CE1 3.96Å; I72-Y93 HydrophobicContact CB-CE2 4.19Å; I72-Y93 HydrophobicContact CD1-CD1 4.07Å; I72-Y93 HydrophobicContact CD1-CE1 3.62Å; I72-Y93 HydrophobicContact CG1-CE1 4.4Å; I72-Y93 HydrophobicContact CG2-CD1 4.01Å; I72-Y93 HydrophobicContact CG2-CD2 3.81Å; I72-Y93 HydrophobicContact CG2-CE1 3.7Å; I72-Y93 HydrophobicContact CG2-CE2 3.43Å; I72-Y93 VanDerWaalsContact CG2-CE2 3.43Å; I72-Y93 HydrophobicContact CG2-CG 4.08Å; L76-Y93 HydrophobicContact CD1-CD2 3.88Å; L76-Y93 HydrophobicContact CD1-CE2 3.82Å; C89-Y93 PolarHBondContact O-N 3.25Å; Y93-E95 VanDerWaalsContact C-N 3.27Å; Y93-E95 PolarHBondContact O-N 2.7Å; Y93-W96 AromaticContact CD1-CE3 3.89Å; Y93-W96 HydrophobicContact CD1-CE3 3.89Å; Y93-W96 HydrophobicContact CD1-CZ3 4.36Å; Y93-W96 AromaticContact CE1-CE3 3.94Å; Y93-W96 HydrophobicContact CE1-CE3 3.94Å; Y93-W96 HydrophobicContact CE1-CZ3 4.02Å; Y93-W96 PolarHBondContact O-N 3.01Å; Y93-L97 WeakPolarHBondContact O-CG 3.34Å; Y93-L97 PolarHBondContact O-N 3.05Å; Y93-I123 HydrophobicContact CD1-CD1 4.33Å; Y93-I123 HydrophobicContact CD1-CG1 3.97Å; Y93-I123 HydrophobicContact CD1-CG2 4.41Å; Y93-I123 HydrophobicContact CD2-CG2 3.89Å; Y93-I123 HydrophobicContact CE1-CG1 4.07Å; Y93-I123 HydrophobicContact CG-CG1 4.19Å; Y93-I123 HydrophobicContact CG-CG2 3.79Å; Y93-H126 HydrophobicContact CE2-CB 3.67Å; Y93-H126 AromaticContact CE2-ND1 3.96Å; Y93-H126 AromaticContact CZ-ND1 3.76Å; Y93-H126 PolarHBondContact OH-ND1 3.39Å; Y93-F127 VanDerWaalsContact CB-CZ 3.44Å; Y93-F127 HydrophobicContact CD2-CE1 4.17Å; Y93-F127 HydrophobicContact CD2-CZ 4.3Å; Y93-F127 HydrophobicContact CG-CZ 4.41Å |
| 94 | C | 93.4 | Very high | 91.4 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.2 | -34.9 | 172.7 | -77.5 | 0 | 0 | 0 | 0 | 112.2 | V90 N91 T165 | V90-C94 WeakPolarHBondContact O-CB 3.37Å; V90-C94 PolarHBondContact O-N 3.28Å; V90-C94 PolarHBondContact O-SG 3.08Å; N91-C94 PolarHBondContact O-N 2.91Å; C94-T165 HydrophobicContact CB-CG2 3.87Å |
| 95 | E | 91.2 | Very high | 91.4 | Very high | 19 Ų | 19 | 30.9 Ų | 30.9 | 9% | 0.089 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72.8 | -44 | 174.3 | -167.2 | 83.8 | 168.3 | 0 | 0 | 111.5 | L48 N91 V92 Y93 L97 T98 R105 S107 | L48-E95 HydrophobicContact CD2-CB 3.89Å; L48-E95 HydrophobicContact CD2-CG 3.91Å; N91-E95 WeakPolarHBondContact O-CB 3.32Å; N91-E95 PolarHBondContact O-N 3.01Å; V92-E95 PolarHBondContact O-N 3.28Å; Y93-E95 VanDerWaalsContact C-N 3.27Å; Y93-E95 PolarHBondContact O-N 2.7Å; E95-L97 VanDerWaalsContact C-N 3.28Å; E95-L97 PolarHBondContact O-N 3.35Å; E95-T98 VanDerWaalsContact O-CB 3.31Å; E95-T98 WeakPolarHBondContact O-CB 3.44Å; E95-T98 WeakPolarHBondContact O-CG2 3.39Å; E95-T98 PolarHBondContact O-N 3.42Å; E95-T98 PolarHBondContact O-OG1 3.25Å; E95-R105 HydrophobicContact CG-CB 4.23Å; E95-R105 HydrophobicContact CG-CG 4.32Å; E95-R105 WeakPolarHBondContact OE1-CB 3.42Å; E95-R105 VanDerWaalsContact OE1-CD 3.31Å; E95-R105 WeakPolarHBondContact OE1-CD 3.4Å; E95-R105 WeakPolarHBondContact OE1-CG 3.32Å; E95-R105 IonicContact OE1-CZ 3.09Å; E95-R105 IonicContact OE1-NE 3.71Å; E95-R105 IonicContact OE1-NH1 3.81Å; E95-R105 PolarHBondContact OE1-NH1 3.23Å; E95-R105 IonicContact OE2-CZ 2.72Å; E95-R105 IonicContact OE2-NH1 3.56Å; E95-R105 PolarHBondContact OE2-NH1 3.49Å; E95-S107 VanDerWaalsContact CG-OG 3.29Å; E95-S107 WeakPolarHBondContact CG-OG 3.12Å; E95-S107 PolarHBondContact OE1-OG 2.93Å |
| 96 | W | 94.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.9 | -29.6 | 180 | -69.9 | 4.6 | 0 | 0 | 0 | 113.2 | L44 L59 C68 M69 I72 V92 Y93 T98 A99 P109 I112 I123 | L44-W96 HydrophobicContact CD1-CZ2 4.49Å; L44-W96 HydrophobicContact CD2-CZ2 4.5Å; L59-W96 HydrophobicContact CD1-CH2 3.91Å; L59-W96 HydrophobicContact CD1-CZ2 3.94Å; C68-W96 HydrophobicContact CB-CH2 4.23Å; M69-W96 HydrophobicContact CG-CE3 4.5Å; M69-W96 HydrophobicContact CG-CZ3 3.79Å; I72-W96 HydrophobicContact CD1-CH2 4.03Å; I72-W96 HydrophobicContact CD1-CZ3 4.05Å; V92-W96 HydrophobicContact CG1-CD2 3.84Å; V92-W96 VanDerWaalsContact CG1-CE2 3.43Å; V92-W96 HydrophobicContact CG1-CE3 4.33Å; V92-W96 HydrophobicContact CG1-CG 4.36Å; V92-W96 HydrophobicContact CG1-CH2 4.15Å; V92-W96 HydrophobicContact CG1-CZ2 3.61Å; V92-W96 HydrophobicContact CG1-CZ3 4.47Å; V92-W96 VanDerWaalsContact O-CD1 3.31Å; V92-W96 VanDerWaalsContact O-CG 3.28Å; V92-W96 PolarHBondContact O-N 3.19Å; Y93-W96 AromaticContact CD1-CE3 3.89Å; Y93-W96 HydrophobicContact CD1-CE3 3.89Å; Y93-W96 HydrophobicContact CD1-CZ3 4.36Å; Y93-W96 AromaticContact CE1-CE3 3.94Å; Y93-W96 HydrophobicContact CE1-CE3 3.94Å; Y93-W96 HydrophobicContact CE1-CZ3 4.02Å; Y93-W96 PolarHBondContact O-N 3.01Å; W96-T98 PolarHBondContact O-N 3.32Å; W96-A99 VanDerWaalsContact O-CB 3.3Å; W96-A99 WeakPolarHBondContact O-CB 3.16Å; W96-A99 PolarHBondContact O-N 3.12Å; W96-A99 VanDerWaalsContact O-N 3.12Å; W96-P109 HydrophobicContact CD2-CG 4.24Å; W96-P109 HydrophobicContact CH2-CG 4.22Å; W96-P109 HydrophobicContact CZ2-CG 3.69Å; W96-I112 HydrophobicContact CB-CD1 4.19Å; W96-I112 HydrophobicContact CD2-CD1 3.65Å; W96-I112 HydrophobicContact CE3-CD1 3.32Å; W96-I112 HydrophobicContact CG-CD1 4.05Å; W96-I112 HydrophobicContact CZ3-CD1 3.89Å; W96-I123 HydrophobicContact CB-CD1 3.88Å |
| 97 | L | 93.6 | Very high | 91 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -63.2 | -14.9 | 170.8 | -78.4 | 173 | 0 | 0 | 0 | 114.2 | Y93 E95 A99 L100 A120 I123 F127 T165 L166 | Y93-L97 WeakPolarHBondContact O-CG 3.34Å; Y93-L97 PolarHBondContact O-N 3.05Å; E95-L97 VanDerWaalsContact C-N 3.28Å; E95-L97 PolarHBondContact O-N 3.35Å; L97-A99 PolarHBondContact O-N 3.21Å; L97-A99 VanDerWaalsContact O-N 3.16Å; L97-L100 PolarHBondContact O-N 3.41Å; L97-L100 VanDerWaalsContact O-N 3.16Å; L97-A120 HydrophobicContact CD2-CB 3.82Å; L97-I123 HydrophobicContact CD1-CG2 4.07Å; L97-I123 HydrophobicContact CD2-CB 4.42Å; L97-I123 HydrophobicContact CD2-CG2 4.14Å; L97-I123 HydrophobicContact CG-CG2 3.92Å; L97-F127 HydrophobicContact CD1-CE2 3.9Å; L97-T165 HydrophobicContact CD1-CG2 4.43Å; L97-L166 HydrophobicContact CD1-CD2 3.68Å |
| 98 | T | 92.6 | Very high | 90.9 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 7% | 0.074 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -66.2 | -10.3 | 171.7 | 68.4 | 0 | 0 | 0 | 0 | 113.3 | E95 W96 L100 H101 P104 R105 V108 | E95-T98 VanDerWaalsContact O-CB 3.31Å; E95-T98 WeakPolarHBondContact O-CB 3.44Å; E95-T98 WeakPolarHBondContact O-CG2 3.39Å; E95-T98 PolarHBondContact O-N 3.42Å; E95-T98 PolarHBondContact O-OG1 3.25Å; W96-T98 PolarHBondContact O-N 3.32Å; T98-L100 PolarHBondContact O-N 2.85Å; T98-L100 VanDerWaalsContact O-N 3.16Å; T98-H101 VanDerWaalsContact O-CB 3.32Å; T98-H101 WeakPolarHBondContact O-CB 3.22Å; T98-H101 PolarHBondContact O-N 2.87Å; T98-P104 WeakPolarHBondContact O-CA 3.45Å; T98-R105 HydrophobicContact CG2-CG 3.97Å; T98-R105 WeakPolarHBondContact OG1-CG 3.45Å; T98-R105 PolarHBondContact OG1-N 3.28Å; T98-R105 VanDerWaalsContact OG1-N 3.15Å; T98-V108 WeakPolarHBondContact OG1-CG2 3.49Å |
| 99 | A | 92.3 | Very high | 91 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 5% | 0.05 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -54.3 | -28 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | W96 L97 V108 I112 A116 | W96-A99 VanDerWaalsContact O-CB 3.3Å; W96-A99 WeakPolarHBondContact O-CB 3.16Å; W96-A99 PolarHBondContact O-N 3.12Å; W96-A99 VanDerWaalsContact O-N 3.12Å; L97-A99 PolarHBondContact O-N 3.21Å; L97-A99 VanDerWaalsContact O-N 3.16Å; A99-V108 HydrophobicContact CB-CG1 4.06Å; A99-I112 HydrophobicContact CB-CG2 3.71Å; A99-A116 HydrophobicContact CB-CB 3.86Å |
| 100 | L | 92.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -84.3 | -6 | 175.7 | -74.1 | 174.6 | 0 | 0 | 0 | 113.5 | L97 T98 A116 A120 T169 S173 L175 M176 T180 | L97-L100 PolarHBondContact O-N 3.41Å; L97-L100 VanDerWaalsContact O-N 3.16Å; T98-L100 PolarHBondContact O-N 2.85Å; T98-L100 VanDerWaalsContact O-N 3.16Å; L100-A116 HydrophobicContact CD2-CB 3.92Å; L100-A116 HydrophobicContact CG-CB 4.34Å; L100-A120 HydrophobicContact CD1-CB 3.51Å; L100-A120 HydrophobicContact CG-CB 4.17Å; L100-T169 HydrophobicContact CB-CG2 3.82Å; L100-T169 HydrophobicContact CD1-CG2 3.91Å; L100-S173 WeakPolarHBondContact O-CA 3.23Å; L100-S173 WeakPolarHBondContact O-CB 2.95Å; L100-S173 PolarHBondContact O-OG 3.47Å; L100-L175 HydrophobicContact CD2-CB 4.29Å; L100-M176 HydrophobicContact CD1-CG 3.8Å; L100-M176 HydrophobicContact CD1-SD 4.4Å; L100-M176 HydrophobicContact CD2-CG 4.08Å; L100-M176 HydrophobicContact CG-CG 4.45Å; L100-T180 HydrophobicContact CD1-CG2 4.47Å |
| 101 | H | 91.8 | Very high | 90.6 | Very high | 31 Ų | 31 | 39 Ų | 39 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -87.4 | 156.2 | -178.9 | -62.9 | -161.8 | 0 | 0 | 0 | 110.1 | T98 Q103 T169 I172 | T98-H101 VanDerWaalsContact O-CB 3.32Å; T98-H101 WeakPolarHBondContact O-CB 3.22Å; T98-H101 PolarHBondContact O-N 2.87Å; H101-Q103 PolarHBondContact O-N 3.31Å; H101-T169 PolarHBondContact NE2-OG1 3.32Å; H101-I172 HydrophobicContact CB-CG2 4.2Å |
| 102 | P | 86.6 | Confident | 90.6 | Very high | 96 Ų | 96 | 38.7 Ų | 38.7 | 62% | 0.623 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -57.4 | -18.7 | 176.4 | -27.2 | 35.4 | 0 | 0 | 0 | 115.5 | I172 | P102-I172 VanDerWaalsContact CD-CG2 3.48Å; P102-I172 HydrophobicContact CG-CG2 4.33Å |
| 103 | Q | 87.7 | Confident | 90.5 | Very high | 175 Ų | 175 | 41.5 Ų | 41.5 | 82% | 0.818 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -137.9 | 97.3 | 172.4 | -67.7 | -175.8 | -6.9 | 0 | 0 | 109.2 | H101 | H101-Q103 PolarHBondContact O-N 3.31Š|
| 104 | P | 85.2 | Confident | 90.3 | Very high | 58 Ų | 58 | 48.3 Ų | 48.3 | 38% | 0.377 | 24% | 0.244 | S | C | . | . | trans | -61.7 | 148.5 | 173.3 | -24.6 | 35.7 | 0 | 0 | 0 | 112.5 | T98 | T98-P104 WeakPolarHBondContact O-CA 3.45Š| ||
| 105 | R | 86.5 | Confident | 90.2 | Very high | 134 Ų | 134 | 51.3 Ų | 51.3 | 51% | 0.506 | 26% | 0.26 | S | S | . | . | trans | -67.1 | 146.6 | 172.1 | -66.7 | -85.1 | -170.6 | 92.5 | 5.3 | 110.2 | E95 T98 S107 V108 | E95-R105 HydrophobicContact CG-CB 4.23Å; E95-R105 HydrophobicContact CG-CG 4.32Å; E95-R105 WeakPolarHBondContact OE1-CB 3.42Å; E95-R105 VanDerWaalsContact OE1-CD 3.31Å; E95-R105 WeakPolarHBondContact OE1-CD 3.4Å; E95-R105 WeakPolarHBondContact OE1-CG 3.32Å; E95-R105 IonicContact OE1-CZ 3.09Å; E95-R105 IonicContact OE1-NE 3.71Å; E95-R105 IonicContact OE1-NH1 3.81Å; E95-R105 PolarHBondContact OE1-NH1 3.23Å; E95-R105 IonicContact OE2-CZ 2.72Å; E95-R105 IonicContact OE2-NH1 3.56Å; E95-R105 PolarHBondContact OE2-NH1 3.49Å; T98-R105 HydrophobicContact CG2-CG 3.97Å; T98-R105 WeakPolarHBondContact OG1-CG 3.45Å; T98-R105 PolarHBondContact OG1-N 3.28Å; T98-R105 VanDerWaalsContact OG1-N 3.15Å; R105-S107 WeakPolarHBondContact CB-OG 3.46Å; R105-S107 PolarHBondContact O-N 3.01Å; R105-V108 HydrophobicContact CB-CG2 4.13Å; R105-V108 WeakPolarHBondContact O-CB 3.23Å; R105-V108 VanDerWaalsContact O-CG2 3.26Å; R105-V108 WeakPolarHBondContact O-CG2 3.31Å; R105-V108 PolarHBondContact O-N 3.37Å; R105-V108 VanDerWaalsContact O-N 3.08Å | ||
| 106 | I | 87 | Confident | 90.3 | Very high | 111 Ų | 111 | 51 Ų | 51 | 57% | 0.569 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -20.9 | 179.9 | 63.6 | 172.7 | 0 | 0 | 0 | 113.6 | A54 P56 S57 V108 | A54-I106 HydrophobicContact CB-CD1 4.44Å; A54-I106 HydrophobicContact CB-CG1 4.24Å; A54-I106 WeakPolarHBondContact O-CD1 3.13Å; P56-I106 WeakPolarHBondContact CA-O 3.47Å; S57-I106 PolarHBondContact N-O 2.84Å; I106-V108 PolarHBondContact O-N 3.5Å |
| 107 | S | 86.4 | Confident | 90.3 | Very high | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -7.5 | 174.6 | 46.9 | 0 | 0 | 0 | 0 | 113.9 | E95 R105 | E95-S107 VanDerWaalsContact CG-OG 3.29Å; E95-S107 WeakPolarHBondContact CG-OG 3.12Å; E95-S107 PolarHBondContact OE1-OG 2.93Å; R105-S107 WeakPolarHBondContact CB-OG 3.46Å; R105-S107 PolarHBondContact O-N 3.01Å |
| 108 | V | 89.4 | Confident | 90.3 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 6% | 0.055 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -78.1 | 128.6 | 177.1 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | T98 A99 R105 I106 I112 C113 | T98-V108 WeakPolarHBondContact OG1-CG2 3.49Å; A99-V108 HydrophobicContact CB-CG1 4.06Å; R105-V108 HydrophobicContact CB-CG2 4.13Å; R105-V108 WeakPolarHBondContact O-CB 3.23Å; R105-V108 VanDerWaalsContact O-CG2 3.26Å; R105-V108 WeakPolarHBondContact O-CG2 3.31Å; R105-V108 PolarHBondContact O-N 3.37Å; R105-V108 VanDerWaalsContact O-N 3.08Å; I106-V108 PolarHBondContact O-N 3.5Å; V108-I112 HydrophobicContact CG1-CB 3.96Å; V108-I112 HydrophobicContact CG1-CG2 3.94Å; V108-C113 VanDerWaalsContact CG1-SG 3.55Å |
| 109 | P | 91.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -55.5 | 139.7 | 173.1 | -24.8 | 31.7 | 0 | 0 | 0 | 113.2 | L59 V65 W96 I112 C113 | L59-P109 HydrophobicContact CB-CB 4.07Å; L59-P109 HydrophobicContact CB-CG 4.24Å; L59-P109 HydrophobicContact CD1-CG 4.11Å; V65-P109 HydrophobicContact CG2-CB 3.61Å; V65-P109 HydrophobicContact CG2-CG 4.19Å; W96-P109 HydrophobicContact CD2-CG 4.24Å; W96-P109 HydrophobicContact CH2-CG 4.22Å; W96-P109 HydrophobicContact CZ2-CG 3.69Å; P109-I112 HydrophobicContact CB-CD1 4.25Å; P109-I112 HydrophobicContact CB-CG1 4.1Å; P109-I112 HydrophobicContact CG-CD1 3.89Å; P109-I112 HydrophobicContact CG-CG1 4.29Å; P109-I112 WeakPolarHBondContact O-CB 3.45Å; P109-I112 PolarHBondContact O-N 3.29Å; P109-C113 PolarHBondContact O-N 3.09Å | ||
| 110 | K | 88.6 | Confident | 90.4 | Very high | 131 Ų | 131 | 54.4 Ų | 54.4 | 57% | 0.57 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -53 | -45.9 | 179.7 | -126.8 | -170.4 | 179.1 | -161.7 | 0 | 114 | I112 C113 E114 | K110-I112 VanDerWaalsContact C-N 3.26Å; K110-I112 PolarHBondContact O-N 3.01Å; K110-C113 WeakPolarHBondContact O-CB 3.49Å; K110-C113 PolarHBondContact O-N 3.43Å; K110-E114 WeakPolarHBondContact O-CG 3.42Å; K110-E114 PolarHBondContact O-N 2.64Å; K110-E114 VanDerWaalsContact O-N 3.11Å |
| 111 | P | 91.9 | Very high | 90.5 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.5 | -35.5 | 176.8 | -25.5 | 35.2 | 0 | 0 | 0 | 113.4 | V60 V65 C113 E114 D115 Y119 | V60-P111 WeakPolarHBondContact O-CG 3.4Å; V65-P111 HydrophobicContact CG2-CB 4.2Å; V65-P111 HydrophobicContact CG2-CG 3.94Å; P111-C113 VanDerWaalsContact C-N 3.33Å; P111-C113 PolarHBondContact O-N 3.47Å; P111-E114 PolarHBondContact O-N 3.16Å; P111-E114 VanDerWaalsContact O-N 3.1Å; P111-D115 PolarHBondContact O-N 3.16Å; P111-D115 VanDerWaalsContact O-N 3.12Å; P111-Y119 HydrophobicContact CB-CE2 4.23Å; P111-Y119 WeakPolarHBondContact CB-OH 3.41Å; P111-Y119 WeakPolarHBondContact O-CE2 3.4Å |
| 112 | I | 92.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68 | -34 | 178 | -58.8 | -172.6 | 0 | 0 | 0 | 111.2 | V65 W96 A99 V108 P109 K110 E114 A116 Y119 | V65-I112 HydrophobicContact CG1-CD1 3.76Å; V65-I112 HydrophobicContact CG1-CG1 3.74Å; W96-I112 HydrophobicContact CB-CD1 4.19Å; W96-I112 HydrophobicContact CD2-CD1 3.65Å; W96-I112 HydrophobicContact CE3-CD1 3.32Å; W96-I112 HydrophobicContact CG-CD1 4.05Å; W96-I112 HydrophobicContact CZ3-CD1 3.89Å; A99-I112 HydrophobicContact CB-CG2 3.71Å; V108-I112 HydrophobicContact CG1-CB 3.96Å; V108-I112 HydrophobicContact CG1-CG2 3.94Å; P109-I112 HydrophobicContact CB-CD1 4.25Å; P109-I112 HydrophobicContact CB-CG1 4.1Å; P109-I112 HydrophobicContact CG-CD1 3.89Å; P109-I112 HydrophobicContact CG-CG1 4.29Å; P109-I112 WeakPolarHBondContact O-CB 3.45Å; P109-I112 PolarHBondContact O-N 3.29Å; K110-I112 VanDerWaalsContact C-N 3.26Å; K110-I112 PolarHBondContact O-N 3.01Å; I112-E114 VanDerWaalsContact C-N 3.32Å; I112-A116 WeakPolarHBondContact O-CA 3.47Å; I112-A116 WeakPolarHBondContact O-CB 3.12Å; I112-A116 PolarHBondContact O-N 3.4Å; I112-A116 VanDerWaalsContact O-N 3.11Å; I112-Y119 HydrophobicContact CB-CD2 4.28Å; I112-Y119 HydrophobicContact CB-CG 4.39Å; I112-Y119 HydrophobicContact CG1-CD1 4.11Å; I112-Y119 HydrophobicContact CG1-CD2 4.08Å; I112-Y119 HydrophobicContact CG1-CE2 4.5Å; I112-Y119 HydrophobicContact CG1-CG 3.86Å; I112-Y119 HydrophobicContact CG2-CG 4.47Å |
| 113 | C | 90.4 | Very high | 90.8 | Very high | 59 Ų | 59 | 53 Ų | 53 | 40% | 0.399 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -72.3 | -24.4 | 171.8 | -66 | 0 | 0 | 0 | 0 | 113.2 | V108 P109 K110 P111 | V108-C113 VanDerWaalsContact CG1-SG 3.55Å; P109-C113 PolarHBondContact O-N 3.09Å; K110-C113 WeakPolarHBondContact O-CB 3.49Å; K110-C113 PolarHBondContact O-N 3.43Å; P111-C113 VanDerWaalsContact C-N 3.33Å; P111-C113 PolarHBondContact O-N 3.47Å |
| 114 | E | 90.9 | Very high | 91 | Very high | 143 Ų | 143 | 44.9 Ų | 44.9 | 67% | 0.668 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -82.2 | -32.7 | -178.1 | -71.8 | 168.8 | -170.5 | 0 | 0 | 112.9 | K110 P111 I112 | K110-E114 WeakPolarHBondContact O-CG 3.42Å; K110-E114 PolarHBondContact O-N 2.64Å; K110-E114 VanDerWaalsContact O-N 3.11Å; P111-E114 PolarHBondContact O-N 3.16Å; P111-E114 VanDerWaalsContact O-N 3.1Å; I112-E114 VanDerWaalsContact C-N 3.32Å |
| 115 | D | 92.1 | Very high | 91.2 | Very high | 70 Ų | 70 | 45.1 Ų | 45.1 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -134.3 | 64.2 | 168.6 | -169.4 | -10.6 | 0 | 0 | 0 | 112.2 | P111 N117 L118 Y119 | P111-D115 PolarHBondContact O-N 3.16Å; P111-D115 VanDerWaalsContact O-N 3.12Å; D115-N117 PolarHBondContact O-N 3.48Å; D115-N117 VanDerWaalsContact O-N 3.09Å; D115-L118 HydrophobicContact CB-CB 4.22Å; D115-L118 PolarHBondContact O-N 3.1Å; D115-L118 VanDerWaalsContact O-N 3.1Å; D115-L118 VanDerWaalsContact OD1-CB 3.31Å; D115-L118 WeakPolarHBondContact OD1-CB 3.34Å; D115-L118 PolarHBondContact OD1-N 3.28Å; D115-L118 WeakPolarHBondContact OD2-CB 3.5Å; D115-Y119 HydrophobicContact CB-CD2 4.48Å; D115-Y119 HydrophobicContact CB-CE2 4.39Å; D115-Y119 VanDerWaalsContact O-CD2 3.26Å; D115-Y119 WeakPolarHBondContact O-CD2 3.3Å; D115-Y119 PolarHBondContact O-N 3.42Å |
| 116 | A | 93 | Very high | 91.4 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.1 | -31.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A99 L100 I112 A120 | A99-A116 HydrophobicContact CB-CB 3.86Å; L100-A116 HydrophobicContact CD2-CB 3.92Å; L100-A116 HydrophobicContact CG-CB 4.34Å; I112-A116 WeakPolarHBondContact O-CA 3.47Å; I112-A116 WeakPolarHBondContact O-CB 3.12Å; I112-A116 PolarHBondContact O-N 3.4Å; I112-A116 VanDerWaalsContact O-N 3.11Å; A116-A120 WeakPolarHBondContact O-CB 3.36Å; A116-A120 PolarHBondContact O-N 2.77Å |
| 117 | N | 93.5 | Very high | 91.7 | Very high | 25 Ų | 25 | 34.9 Ų | 34.9 | 13% | 0.134 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.2 | -44.1 | 177.7 | -81.9 | -69.5 | 0 | 0 | 0 | 112.1 | D115 R121 L175 M176 D177 T180 | D115-N117 PolarHBondContact O-N 3.48Å; D115-N117 VanDerWaalsContact O-N 3.09Å; N117-R121 VanDerWaalsContact O-CG 3.31Å; N117-R121 WeakPolarHBondContact O-CG 3.09Å; N117-R121 PolarHBondContact O-N 3.5Å; N117-R121 PolarHBondContact O-NE 3.24Å; N117-L175 PolarHBondContact ND2-O 2.93Å; N117-M176 WeakPolarHBondContact OD1-CA 3.42Å; N117-D177 WeakPolarHBondContact CB-OD2 3.08Å; N117-D177 PolarHBondContact OD1-N 3.02Å; N117-D177 PolarHBondContact OD1-OD2 3.34Å; N117-T180 WeakPolarHBondContact CB-OG1 3.38Å; N117-T180 VanDerWaalsContact OD1-CB 3.29Å; N117-T180 WeakPolarHBondContact OD1-CB 3.25Å; N117-T180 PolarHBondContact OD1-OG1 3.35Å |
| 118 | L | 93.3 | Very high | 91.7 | Very high | 58 Ų | 58 | 35 Ų | 35 | 30% | 0.304 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.3 | -47.9 | 178.8 | -178.4 | 132.8 | 0 | 0 | 0 | 112.3 | D115 R121 Q122 | D115-L118 HydrophobicContact CB-CB 4.22Å; D115-L118 PolarHBondContact O-N 3.1Å; D115-L118 VanDerWaalsContact O-N 3.1Å; D115-L118 VanDerWaalsContact OD1-CB 3.31Å; D115-L118 WeakPolarHBondContact OD1-CB 3.34Å; D115-L118 PolarHBondContact OD1-N 3.28Å; D115-L118 WeakPolarHBondContact OD2-CB 3.5Å; L118-R121 PolarHBondContact O-N 2.93Å; L118-Q122 PolarHBondContact O-N 3.47Å |
| 119 | Y | 94.1 | Very high | 91.6 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 4% | 0.039 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.4 | -36.2 | 180 | -65.1 | -79.6 | 0 | 0 | 0 | 112.6 | D62 V65 M69 P111 I112 D115 R121 Q122 I123 | D62-Y119 PolarHBondContact OD1-OH 2.99Å; V65-Y119 HydrophobicContact CB-CE1 4.48Å; V65-Y119 HydrophobicContact CG1-CD1 4.08Å; V65-Y119 HydrophobicContact CG1-CE1 3.74Å; M69-Y119 HydrophobicContact SD-CD1 3.77Å; M69-Y119 HydrophobicContact SD-CE1 4.48Å; P111-Y119 HydrophobicContact CB-CE2 4.23Å; P111-Y119 WeakPolarHBondContact CB-OH 3.41Å; P111-Y119 WeakPolarHBondContact O-CE2 3.4Å; I112-Y119 HydrophobicContact CB-CD2 4.28Å; I112-Y119 HydrophobicContact CB-CG 4.39Å; I112-Y119 HydrophobicContact CG1-CD1 4.11Å; I112-Y119 HydrophobicContact CG1-CD2 4.08Å; I112-Y119 HydrophobicContact CG1-CE2 4.5Å; I112-Y119 HydrophobicContact CG1-CG 3.86Å; I112-Y119 HydrophobicContact CG2-CG 4.47Å; D115-Y119 HydrophobicContact CB-CD2 4.48Å; D115-Y119 HydrophobicContact CB-CE2 4.39Å; D115-Y119 VanDerWaalsContact O-CD2 3.26Å; D115-Y119 WeakPolarHBondContact O-CD2 3.3Å; D115-Y119 PolarHBondContact O-N 3.42Å; Y119-R121 VanDerWaalsContact C-N 3.31Å; Y119-R121 PolarHBondContact O-N 2.88Å; Y119-Q122 PolarHBondContact O-N 3.28Å; Y119-Q122 VanDerWaalsContact O-N 3.14Å; Y119-I123 WeakPolarHBondContact O-CG1 3.34Å; Y119-I123 PolarHBondContact O-N 3.21Å |
| 120 | A | 94 | Very high | 91.4 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 3% | 0.025 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.3 | -40.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L97 L100 A116 Q122 I123 I124 T180 | L97-A120 HydrophobicContact CD2-CB 3.82Å; L100-A120 HydrophobicContact CD1-CB 3.51Å; L100-A120 HydrophobicContact CG-CB 4.17Å; A116-A120 WeakPolarHBondContact O-CB 3.36Å; A116-A120 PolarHBondContact O-N 2.77Å; A120-Q122 VanDerWaalsContact C-N 3.33Å; A120-Q122 PolarHBondContact O-N 2.9Å; A120-I123 PolarHBondContact O-N 2.67Å; A120-I124 WeakPolarHBondContact O-CB 3.4Å; A120-I124 WeakPolarHBondContact O-CD1 3.42Å; A120-I124 WeakPolarHBondContact O-CG1 3.42Å; A120-I124 PolarHBondContact O-N 3.42Å; A120-T180 HydrophobicContact CB-CG2 4.45Å |
| 121 | R | 93.4 | Very high | 91.4 | Very high | 45 Ų | 45 | 28.7 Ų | 28.7 | 17% | 0.17 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -38.9 | 174.5 | -73 | 175.3 | -75.6 | 179.8 | -9.9 | 112.4 | N117 L118 Y119 N125 D177 T180 T183 | N117-R121 VanDerWaalsContact O-CG 3.31Å; N117-R121 WeakPolarHBondContact O-CG 3.09Å; N117-R121 PolarHBondContact O-N 3.5Å; N117-R121 PolarHBondContact O-NE 3.24Å; L118-R121 PolarHBondContact O-N 2.93Å; Y119-R121 VanDerWaalsContact C-N 3.31Å; Y119-R121 PolarHBondContact O-N 2.88Å; R121-N125 VanDerWaalsContact O-CG 3.32Å; R121-N125 PolarHBondContact O-N 3.09Å; R121-N125 VanDerWaalsContact O-N 3.09Å; R121-N125 PolarHBondContact O-ND2 2.88Å; R121-D177 IonicContact NH2-OD2 2.78Å; R121-T180 WeakPolarHBondContact CD-OG1 3.19Å; R121-T180 HydrophobicContact CG-CG2 4.16Å; R121-T180 PolarHBondContact NE-OG1 2.79Å; R121-T183 HydrophobicContact CB-CG2 4.15Å; R121-T183 HydrophobicContact CG-CG2 4.04Å |
| 122 | Q | 91.3 | Very high | 90.8 | Very high | 56 Ų | 56 | 29.9 Ų | 29.9 | 26% | 0.262 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -67.5 | -45.4 | 174.3 | -68.2 | 175.4 | 10.6 | 0 | 0 | 112.1 | M69 L118 Y119 A120 I124 N125 H126 | M69-Q122 HydrophobicContact CE-CB 3.53Å; L118-Q122 PolarHBondContact O-N 3.47Å; Y119-Q122 PolarHBondContact O-N 3.28Å; Y119-Q122 VanDerWaalsContact O-N 3.14Å; A120-Q122 VanDerWaalsContact C-N 3.33Å; A120-Q122 PolarHBondContact O-N 2.9Å; Q122-I124 PolarHBondContact O-N 3.28Å; Q122-N125 PolarHBondContact O-N 3.3Å; Q122-H126 PolarHBondContact O-CD2 2.91Å; Q122-H126 PolarHBondContact O-N 2.87Å; Q122-H126 PolarHBondContact O-ND1 3.48Å |
| 123 | I | 93.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.5 | -46.4 | 175.8 | -69.7 | 168.6 | 0 | 0 | 0 | 111.1 | M69 Y93 W96 L97 Y119 A120 N125 H126 F127 | M69-I123 HydrophobicContact CE-CG1 3.63Å; Y93-I123 HydrophobicContact CD1-CD1 4.33Å; Y93-I123 HydrophobicContact CD1-CG1 3.97Å; Y93-I123 HydrophobicContact CD1-CG2 4.41Å; Y93-I123 HydrophobicContact CD2-CG2 3.89Å; Y93-I123 HydrophobicContact CE1-CG1 4.07Å; Y93-I123 HydrophobicContact CG-CG1 4.19Å; Y93-I123 HydrophobicContact CG-CG2 3.79Å; W96-I123 HydrophobicContact CB-CD1 3.88Å; L97-I123 HydrophobicContact CD1-CG2 4.07Å; L97-I123 HydrophobicContact CD2-CB 4.42Å; L97-I123 HydrophobicContact CD2-CG2 4.14Å; L97-I123 HydrophobicContact CG-CG2 3.92Å; Y119-I123 WeakPolarHBondContact O-CG1 3.34Å; Y119-I123 PolarHBondContact O-N 3.21Å; A120-I123 PolarHBondContact O-N 2.67Å; I123-N125 PolarHBondContact O-N 2.97Å; I123-H126 PolarHBondContact O-N 3.27Å; I123-F127 HydrophobicContact CG2-CD2 3.92Å; I123-F127 HydrophobicContact CG2-CE2 3.5Å; I123-F127 HydrophobicContact CG2-CZ 4.17Å; I123-F127 WeakPolarHBondContact O-CD2 3.47Å; I123-F127 PolarHBondContact O-N 3.08Å |
| 124 | I | 92.3 | Very high | 89 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.5 | -47.6 | 177.2 | -72.7 | 165.1 | 0 | 0 | 0 | 110.6 | A120 Q122 H126 F127 L166 T183 L184 F187 | A120-I124 WeakPolarHBondContact O-CB 3.4Å; A120-I124 WeakPolarHBondContact O-CD1 3.42Å; A120-I124 WeakPolarHBondContact O-CG1 3.42Å; A120-I124 PolarHBondContact O-N 3.42Å; Q122-I124 PolarHBondContact O-N 3.28Å; I124-H126 PolarHBondContact O-N 2.9Å; I124-F127 PolarHBondContact O-N 3.11Å; I124-L166 HydrophobicContact CD1-CD2 4.39Å; I124-L166 HydrophobicContact CG1-CD2 3.85Å; I124-T183 HydrophobicContact CG2-CG2 4.15Å; I124-L184 HydrophobicContact CD1-CB 4.28Å; I124-L184 HydrophobicContact CD1-CD1 4.17Å; I124-F187 HydrophobicContact CG2-CB 3.39Å; I124-F187 HydrophobicContact CG2-CD1 4.09Å; I124-F187 HydrophobicContact CG2-CD2 3.85Å; I124-F187 HydrophobicContact CG2-CG 3.51Å; I124-F187 WeakPolarHBondContact O-CD2 3.13Å; I124-F187 VanDerWaalsContact O-CE2 3.24Å; I124-F187 WeakPolarHBondContact O-CE2 3.22Å |
| 125 | N | 88.7 | Confident | 87.2 | Confident | 63 Ų | 63 | 36 Ų | 36 | 34% | 0.337 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 176.3 | -72 | -27.5 | 0 | 0 | 0 | 112.2 | R121 Q122 I123 F127 H128 | R121-N125 VanDerWaalsContact O-CG 3.32Å; R121-N125 PolarHBondContact O-N 3.09Å; R121-N125 VanDerWaalsContact O-N 3.09Å; R121-N125 PolarHBondContact O-ND2 2.88Å; Q122-N125 PolarHBondContact O-N 3.3Å; I123-N125 PolarHBondContact O-N 2.97Å; N125-F127 PolarHBondContact O-N 3.45Å; N125-H128 WeakPolarHBondContact O-CB 3.5Å; N125-H128 PolarHBondContact O-N 3.42Å |
| 126 | H | 91.2 | Very high | 85.1 | Confident | 31 Ų | 31 | 36 Ų | 36 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -28.5 | 178.6 | -64.9 | 167.9 | 0 | 0 | 0 | 113 | C73 L76 Y93 Q122 I123 I124 H128 N129 | C73-H126 HydrophobicContact CB-CB 4.42Å; C73-H126 PolarHBondContact SG-CD2 2.87Å; L76-H126 HydrophobicContact CD1-CB 4.38Å; L76-H126 WeakPolarHBondContact CD1-O 3.27Å; Y93-H126 HydrophobicContact CE2-CB 3.67Å; Y93-H126 AromaticContact CE2-ND1 3.96Å; Y93-H126 AromaticContact CZ-ND1 3.76Å; Y93-H126 PolarHBondContact OH-ND1 3.39Å; Q122-H126 PolarHBondContact O-CD2 2.91Å; Q122-H126 PolarHBondContact O-N 2.87Å; Q122-H126 PolarHBondContact O-ND1 3.48Å; I123-H126 PolarHBondContact O-N 3.27Å; I124-H126 PolarHBondContact O-N 2.9Å; H126-H128 PolarHBondContact O-N 3.2Å; H126-N129 PolarHBondContact O-N 2.93Å |
| 127 | F | 92.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -18.4 | 174.2 | -80.2 | -49.4 | 0 | 0 | 0 | 113.8 | L76 V90 Y93 L97 I123 I124 N125 N129 L130 F131 V162 F187 | L76-F127 HydrophobicContact CD1-CD1 4.08Å; V90-F127 HydrophobicContact CG2-CE1 4.38Å; Y93-F127 VanDerWaalsContact CB-CZ 3.44Å; Y93-F127 HydrophobicContact CD2-CE1 4.17Å; Y93-F127 HydrophobicContact CD2-CZ 4.3Å; Y93-F127 HydrophobicContact CG-CZ 4.41Å; L97-F127 HydrophobicContact CD1-CE2 3.9Å; I123-F127 HydrophobicContact CG2-CD2 3.92Å; I123-F127 HydrophobicContact CG2-CE2 3.5Å; I123-F127 HydrophobicContact CG2-CZ 4.17Å; I123-F127 WeakPolarHBondContact O-CD2 3.47Å; I123-F127 PolarHBondContact O-N 3.08Å; I124-F127 PolarHBondContact O-N 3.11Å; N125-F127 PolarHBondContact O-N 3.45Å; F127-N129 PolarHBondContact O-N 3.45Å; F127-N129 VanDerWaalsContact O-N 3.15Å; F127-L130 WeakPolarHBondContact O-CB 3.43Å; F127-L130 PolarHBondContact O-N 2.8Å; F127-F131 WeakPolarHBondContact O-CD2 3.19Å; F127-V162 HydrophobicContact CB-CG1 4.31Å; F127-V162 HydrophobicContact CD1-CG1 3.92Å; F127-V162 HydrophobicContact CD1-CG2 3.83Å; F127-V162 HydrophobicContact CD2-CG1 3.73Å; F127-V162 HydrophobicContact CE1-CB 4.49Å; F127-V162 HydrophobicContact CE1-CG1 4.09Å; F127-V162 HydrophobicContact CE1-CG2 3.52Å; F127-V162 HydrophobicContact CE2-CG1 3.88Å; F127-V162 HydrophobicContact CG-CG1 3.75Å; F127-V162 HydrophobicContact CZ-CG1 4.05Å; F127-V162 HydrophobicContact CZ-CG2 3.94Å; F127-F187 HydrophobicContact CB-CE2 3.79Å; F127-F187 HydrophobicContact CB-CZ 3.89Å |
| 128 | H | 87.9 | Confident | 79.8 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -53.6 | -36.6 | 174.7 | -85.3 | -55 | 0 | 0 | 0 | 112.4 | A19 N125 H126 L130 F131 V132 F187 I191 | A19-H128 HydrophobicContact CB-CB 4.34Å; N125-H128 WeakPolarHBondContact O-CB 3.5Å; N125-H128 PolarHBondContact O-N 3.42Å; H126-H128 PolarHBondContact O-N 3.2Å; H128-L130 PolarHBondContact O-N 3.27Å; H128-F131 PolarHBondContact O-N 3.33Å; H128-V132 PolarHBondContact O-N 3.13Å; H128-F187 AromaticContact CD2-CD2 3.86Å; H128-F187 AromaticContact CE1-CD2 3.44Å; H128-F187 VanDerWaalsContact CE1-CD2 3.44Å; H128-F187 WeakPolarHBondContact CE1-CD2 3.06Å; H128-F187 AromaticContact CE1-CE2 3.99Å; H128-F187 AromaticContact ND1-CD2 3.82Å; H128-F187 AromaticContact ND1-CE2 3.92Å; H128-F187 AromaticContact NE2-CD2 3.48Å; H128-F187 WeakPolarHBondContact NE2-CD2 3.36Å; H128-I191 WeakPolarHBondContact ND1-CG2 3.22Å |
| 129 | N | 86.9 | Confident | 76.7 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.9 | -24.3 | 178.3 | -68 | 1.6 | 0 | 0 | 0 | 113.6 | A19 Q20 C21 C73 L76 H126 F127 R134 | A19-N129 PolarHBondContact O-OD1 3.01Å; Q20-N129 WeakPolarHBondContact CA-OD1 3.45Å; C21-N129 PolarHBondContact N-OD1 3.17Å; C21-N129 PolarHBondContact O-ND2 3.06Å; C73-N129 PolarHBondContact O-ND2 3.49Å; C73-N129 PolarHBondContact SG-ND2 2.96Å; L76-N129 HydrophobicContact CB-CB 3.78Å; L76-N129 CarbonylContact O-C 3.56Å; H126-N129 PolarHBondContact O-N 2.93Å; F127-N129 PolarHBondContact O-N 3.45Å; F127-N129 VanDerWaalsContact O-N 3.15Å; N129-R134 PolarHBondContact O-NH2 3.28Å |
| 130 | L | 88.3 | Confident | 73.7 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -81.5 | -31.3 | 177.5 | -174.9 | 68.9 | 0 | 0 | 0 | 113.2 | I86 V90 F127 H128 Q155 L158 V162 | I86-L130 HydrophobicContact CG2-CD1 3.7Å; V90-L130 HydrophobicContact CG2-CD1 4.3Å; V90-L130 HydrophobicContact CG2-CD2 3.74Å; F127-L130 WeakPolarHBondContact O-CB 3.43Å; F127-L130 PolarHBondContact O-N 2.8Å; H128-L130 PolarHBondContact O-N 3.27Å; L130-Q155 PolarHBondContact O-NE2 2.93Å; L130-L158 HydrophobicContact CD1-CB 4.18Å; L130-L158 HydrophobicContact CD1-CD1 4.37Å; L130-L158 HydrophobicContact CD2-CB 4.24Å; L130-V162 HydrophobicContact CD2-CB 4.42Å; L130-V162 HydrophobicContact CD2-CG2 3.63Å |
| 131 | F | 86.8 | Confident | 70.7 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -91.1 | -7.5 | -173.5 | -70 | -95.8 | 0 | 0 | 0 | 113.5 | F127 H128 P133 C159 V162 L163 F187 I191 I194 L195 | F127-F131 WeakPolarHBondContact O-CD2 3.19Å; H128-F131 PolarHBondContact O-N 3.33Å; F131-P133 WeakPolarHBondContact O-CD 3.25Å; F131-C159 HydrophobicContact CD1-CB 4.22Å; F131-C159 HydrophobicContact CE1-CB 3.6Å; F131-C159 HydrophobicContact CZ-CB 3.97Å; F131-V162 HydrophobicContact CE2-CB 4.33Å; F131-V162 HydrophobicContact CE2-CG1 4.01Å; F131-V162 HydrophobicContact CZ-CB 4.26Å; F131-V162 HydrophobicContact CZ-CG1 4.22Å; F131-L163 HydrophobicContact CE1-CD1 4.23Å; F131-L163 HydrophobicContact CE1-CD2 4.33Å; F131-L163 HydrophobicContact CE1-CG 4.07Å; F131-L163 HydrophobicContact CZ-CD2 4.33Å; F131-L163 HydrophobicContact CZ-CG 4.03Å; F131-F187 HydrophobicContact CD2-CZ 4.09Å; F131-F187 AromaticContact CE2-CZ 3.85Å; F131-F187 HydrophobicContact CE2-CZ 3.85Å; F131-I191 HydrophobicContact CB-CB 4.07Å; F131-I191 HydrophobicContact CB-CG2 3.73Å; F131-I191 HydrophobicContact CD1-CB 4.06Å; F131-I191 HydrophobicContact CD1-CD1 3.86Å; F131-I191 HydrophobicContact CD1-CG2 4.24Å; F131-I191 HydrophobicContact CD2-CG2 3.95Å; F131-I191 HydrophobicContact CE1-CD1 3.69Å; F131-I191 HydrophobicContact CE2-CD1 4.42Å; F131-I191 HydrophobicContact CG-CB 4.01Å; F131-I191 HydrophobicContact CG-CD1 4.3Å; F131-I191 HydrophobicContact CG-CG2 3.71Å; F131-I191 HydrophobicContact CZ-CD1 4.01Å; F131-I194 WeakPolarHBondContact O-CG2 3.32Å; F131-L195 HydrophobicContact CD1-CD1 4.03Å |
| 132 | V | 80.5 | Confident | 67.7 | Low | 34 Ų | 34 | 68 Ų | 68 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -66.5 | 125.2 | 173.6 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | A19 H128 R134 Q155 | A19-V132 HydrophobicContact CB-CG2 4.33Å; H128-V132 PolarHBondContact O-N 3.13Å; V132-R134 PolarHBondContact O-N 2.89Å; V132-Q155 PolarHBondContact O-NE2 3.43Å |
| 133 | P | 71.7 | Confident | 64.8 | Low | 55 Ų | 55 | 75.5 Ų | 75.5 | 36% | 0.357 | 39% | 0.387 | S | S | . | . | trans | -63.6 | 125 | 172.1 | -22.5 | 33.9 | 0 | 0 | 0 | 111 | F131 Q135 I194 L195 | F131-P133 WeakPolarHBondContact O-CD 3.25Å; P133-Q135 PolarHBondContact O-N 3.26Å; P133-I194 HydrophobicContact CG-CG2 4.41Å; P133-L195 HydrophobicContact CG-CD2 4.38Å | ||
| 134 | R | 72.8 | Confident | 61.8 | Low | 75 Ų | 75 | 81.8 Ų | 81.8 | 28% | 0.283 | 42% | 0.416 | S | S | . | . | trans | -90.1 | 108.5 | -177.3 | -57.1 | -164 | -163.1 | -95.1 | -3.4 | 111.3 | L76 S77 L78 N129 V132 G136 | L76-R134 PolarHBondContact O-NH2 3.44Å; S77-R134 VanDerWaalsContact C-NH1 3.32Å; S77-R134 PolarHBondContact O-NH1 3.49Å; L78-R134 PolarHBondContact O-NE 3.35Å; L78-R134 PolarHBondContact O-NH1 2.94Å; L78-R134 PolarHBondContact O-NH2 3.1Å; N129-R134 PolarHBondContact O-NH2 3.28Å; V132-R134 PolarHBondContact O-N 2.89Å; R134-G136 PolarHBondContact O-N 2.86Å | ||
| 135 | Q | 52.8 | Low | 59.5 | Low | 202 Ų | 202 | 88.5 Ų | 88.5 | 94% | 0.944 | 46% | 0.457 | S | S | * | . | trans | -69.2 | 108.5 | 168.5 | -62.2 | 179.3 | -4.9 | 0 | 0 | 108.8 | P133 | P133-Q135 PolarHBondContact O-N 3.26Š| ||
| 136 | G | 47.7 | Very low | 57.5 | Low | 68 Ų | 68 | 90.1 Ų | 90.1 | 70% | 0.701 | 47% | 0.47 | S | S | * | . | trans | -173.8 | -9.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | R134 | R134-G136 PolarHBondContact O-N 2.86Š| ||
| 137 | E | 40.5 | Very low | 55.3 | Low | 84 Ų | 84 | 93.1 Ų | 93.1 | 39% | 0.393 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -131.8 | 25.6 | 175.7 | -69.9 | -170.3 | 171.4 | 0 | 0 | 113.5 | Q81 | Q81-E137 PolarHBondContact NE2-OE1 3.45Š|
| 138 | I | 36.2 | Very low | 53.6 | Low | 150 Ų | 150 | 94.2 Ų | 94.2 | 77% | 0.769 | 50% | 0.497 | S | S | * | . | trans | -125 | 87.6 | 172.5 | -52.3 | 178.7 | 0 | 0 | 0 | 109.6 | ||||
| 139 | L | 27.9 | Very low | 52.3 | Low | 157 Ų | 157 | 96.1 Ų | 96.1 | 82% | 0.822 | 52% | 0.515 | S | S | * | . | trans | -80.4 | 125.6 | 150.7 | -85 | 165.9 | 0 | 0 | 0 | 107.5 | ||||
| 140 | P | 31.3 | Very low | 51.5 | Low | 97 Ų | 97 | 100 Ų | 100 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -64.6 | 141.5 | 163.1 | 28.8 | -32.1 | 0 | 0 | 0 | 108.8 | ||
| 141 | F | 31.2 | Very low | 50.7 | Low | 189 Ų | 189 | 101 Ų | 101 | 83% | 0.829 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 76 | 124.7 | -174.2 | -55.4 | -85 | 0 | 0 | 0 | 116.8 | ||
| 142 | L | 29.8 | Very low | 50.1 | Low | 149 Ų | 149 | 103.2 Ų | 103.2 | 78% | 0.78 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 74.6 | 96.7 | 165.8 | -60.8 | 169.4 | 0 | 0 | 0 | 118.1 | ||
| 143 | Y | 29.3 | Very low | 50 | Low | 212 Ų | 212 | 106.4 Ų | 106.4 | 83% | 0.831 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 64.3 | 111.3 | 158.5 | -65.9 | -86.8 | 0 | 0 | 0 | 119.5 | ||
| 144 | Q | 31.9 | Very low | 50.5 | Low | 134 Ų | 134 | 109.7 Ų | 109.7 | 63% | 0.626 | 57% | 0.57 | S | S | * | * | trans | 136.4 | 81.2 | 134.7 | -166.7 | 155.5 | 32.5 | 0 | 0 | 114 | T146 L147 | Q144-T146 VanDerWaalsContact C-N 3.27Å; Q144-T146 PolarHBondContact O-N 3.42Å; Q144-L147 HydrophobicContact CG-CD1 4.31Å | ||
| 145 | T | 43.1 | Very low | 51.1 | Low | 143 Ų | 143 | 106.2 Ų | 106.2 | 88% | 0.877 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 1.6 | 179 | 39.3 | 0 | 0 | 0 | 0 | 115.4 | ||
| 146 | T | 47.4 | Very low | 52.6 | Low | 98 Ų | 98 | 96.8 Ų | 96.8 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -22.8 | -172.2 | 41.6 | 0 | 0 | 0 | 0 | 116.2 | Q144 | Q144-T146 VanDerWaalsContact C-N 3.27Å; Q144-T146 PolarHBondContact O-N 3.42Å |
| 147 | L | 45.1 | Very low | 54.5 | Low | 93 Ų | 93 | 94.9 Ų | 94.9 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -77.9 | -43.7 | -179.5 | -106 | 75.1 | 0 | 0 | 0 | 113 | Q144 A149 D150 T151 | Q144-L147 HydrophobicContact CG-CD1 4.31Å; L147-A149 PolarHBondContact O-N 3.02Å; L147-D150 PolarHBondContact O-N 3.24Å; L147-D150 VanDerWaalsContact O-N 3.16Å; L147-T151 PolarHBondContact O-N 3.4Å; L147-T151 PolarHBondContact O-OG1 3.48Å |
| 148 | G | 56.1 | Low | 56.9 | Low | 23 Ų | 23 | 91.2 Ų | 91.2 | 24% | 0.237 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -60.9 | -27.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | T151 I152 | G148-T151 WeakPolarHBondContact CA-OG1 3.19Å; G148-T151 PolarHBondContact O-OG1 3.23Å; G148-T151 VanDerWaalsContact O-OG1 3.1Å; G148-I152 WeakPolarHBondContact O-CB 3.21Å; G148-I152 WeakPolarHBondContact O-CD1 3.49Å; G148-I152 WeakPolarHBondContact O-CG1 3.28Å; G148-I152 PolarHBondContact O-N 3.16Å; G148-I152 VanDerWaalsContact O-N 3.12Å |
| 149 | A | 61.5 | Low | 59.5 | Low | 49 Ų | 49 | 84.1 Ų | 84.1 | 41% | 0.405 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.4 | -37.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L147 K153 | L147-A149 PolarHBondContact O-N 3.02Å; A149-K153 WeakPolarHBondContact O-CG 3.46Å; A149-K153 PolarHBondContact O-N 2.85Å |
| 150 | D | 69.1 | Low | 62.5 | Low | 87 Ų | 87 | 78.1 Ų | 78.1 | 47% | 0.465 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -74.5 | -36.7 | 179.6 | -88.7 | 4.2 | 0 | 0 | 0 | 112 | L147 K153 R154 | L147-D150 PolarHBondContact O-N 3.24Å; L147-D150 VanDerWaalsContact O-N 3.16Å; D150-K153 PolarHBondContact O-N 3.08Å; D150-R154 WeakPolarHBondContact O-CB 3.3Å; D150-R154 WeakPolarHBondContact O-CG 3.36Å; D150-R154 PolarHBondContact O-N 3.25Å |
| 151 | T | 72.8 | Confident | 65.4 | Low | 23 Ų | 23 | 78.3 Ų | 78.3 | 14% | 0.141 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 174.7 | 42 | 0 | 0 | 0 | 0 | 111.7 | L80 L147 G148 R154 Q155 | L80-T151 HydrophobicContact CB-CG2 4.3Å; L147-T151 PolarHBondContact O-N 3.4Å; L147-T151 PolarHBondContact O-OG1 3.48Å; G148-T151 WeakPolarHBondContact CA-OG1 3.19Å; G148-T151 PolarHBondContact O-OG1 3.23Å; G148-T151 VanDerWaalsContact O-OG1 3.1Å; T151-R154 PolarHBondContact O-N 3.3Å; T151-Q155 PolarHBondContact O-N 3.25Å |
| 152 | I | 73.8 | Confident | 68.5 | Low | 45 Ų | 45 | 69.3 Ų | 69.3 | 23% | 0.231 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.6 | -52.6 | 170.5 | -73.9 | 170.6 | 0 | 0 | 0 | 111.2 | G148 R154 Q155 A156 V205 | G148-I152 WeakPolarHBondContact O-CB 3.21Å; G148-I152 WeakPolarHBondContact O-CD1 3.49Å; G148-I152 WeakPolarHBondContact O-CG1 3.28Å; G148-I152 PolarHBondContact O-N 3.16Å; G148-I152 VanDerWaalsContact O-N 3.12Å; I152-R154 VanDerWaalsContact C-N 3.31Å; I152-R154 PolarHBondContact O-N 3.25Å; I152-Q155 PolarHBondContact O-N 3.23Å; I152-Q155 VanDerWaalsContact O-N 3.14Å; I152-A156 PolarHBondContact O-N 2.8Å; I152-V205 HydrophobicContact CB-CG2 4.26Å; I152-V205 HydrophobicContact CG1-CG2 4.04Å; I152-V205 HydrophobicContact CG2-CG2 3.85Å |
| 153 | K | 78.3 | Confident | 71.5 | Confident | 102 Ų | 102 | 62.2 Ų | 62.2 | 44% | 0.443 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.7 | -42.1 | 177.7 | -76.3 | 179.5 | 175.9 | -167.2 | 0 | 112.1 | A149 D150 A156 V157 | A149-K153 WeakPolarHBondContact O-CG 3.46Å; A149-K153 PolarHBondContact O-N 2.85Å; D150-K153 PolarHBondContact O-N 3.08Å; K153-A156 PolarHBondContact O-N 3.19Å; K153-V157 WeakPolarHBondContact O-CG2 3.24Å; K153-V157 PolarHBondContact O-N 2.88Å |
| 154 | R | 82.3 | Confident | 74.6 | Confident | 123 Ų | 123 | 59.3 Ų | 59.3 | 46% | 0.464 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.5 | -38 | 176.3 | -76.6 | 174.6 | -160 | -160.5 | 6.5 | 113.2 | D150 T151 I152 L158 | D150-R154 WeakPolarHBondContact O-CB 3.3Å; D150-R154 WeakPolarHBondContact O-CG 3.36Å; D150-R154 PolarHBondContact O-N 3.25Å; T151-R154 PolarHBondContact O-N 3.3Å; I152-R154 VanDerWaalsContact C-N 3.31Å; I152-R154 PolarHBondContact O-N 3.25Å; R154-L158 PolarHBondContact O-N 3.22Å |
| 155 | Q | 84.5 | Confident | 77.6 | Confident | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.6 | -47.1 | 172.6 | -169.7 | 172.6 | 2.9 | 0 | 0 | 110.5 | L80 L130 V132 T151 I152 V157 L158 C159 | L80-Q155 HydrophobicContact CD1-CB 4.31Å; L80-Q155 HydrophobicContact CD2-CB 3.8Å; L80-Q155 HydrophobicContact CD2-CG 4.11Å; L130-Q155 PolarHBondContact O-NE2 2.93Å; V132-Q155 PolarHBondContact O-NE2 3.43Å; T151-Q155 PolarHBondContact O-N 3.25Å; I152-Q155 PolarHBondContact O-N 3.23Å; I152-Q155 VanDerWaalsContact O-N 3.14Å; Q155-V157 VanDerWaalsContact C-N 3.34Å; Q155-V157 PolarHBondContact O-N 3.15Å; Q155-L158 PolarHBondContact O-N 3.24Å; Q155-L158 VanDerWaalsContact O-N 3.13Å; Q155-C159 PolarHBondContact O-N 3.15Å; Q155-C159 PolarHBondContact O-SG 2.98Å; Q155-C159 VanDerWaalsContact O-SG 3.39Å |
| 156 | A | 85.3 | Confident | 80 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.7 | -44.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I152 K153 L158 C159 H160 L209 | I152-A156 PolarHBondContact O-N 2.8Å; K153-A156 PolarHBondContact O-N 3.19Å; A156-L158 VanDerWaalsContact C-N 3.32Å; A156-L158 PolarHBondContact O-N 3.38Å; A156-C159 WeakPolarHBondContact O-CB 3.14Å; A156-C159 PolarHBondContact O-N 3.33Å; A156-H160 WeakPolarHBondContact O-CB 3.37Å; A156-H160 PolarHBondContact O-CD2 2.69Å; A156-H160 VanDerWaalsContact O-CD2 3.23Å; A156-H160 PolarHBondContact O-N 2.88Å; A156-L209 HydrophobicContact CB-CD2 3.86Å; A156-L209 HydrophobicContact CB-CG 4.12Å |
| 157 | V | 88.2 | Confident | 82.2 | Confident | 29 Ų | 29 | 43.5 Ų | 43.5 | 18% | 0.176 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.9 | -40.3 | 176.7 | 168 | 0 | 0 | 0 | 0 | 112.7 | K153 Q155 R161 L391 | K153-V157 WeakPolarHBondContact O-CG2 3.24Å; K153-V157 PolarHBondContact O-N 2.88Å; Q155-V157 VanDerWaalsContact C-N 3.34Å; Q155-V157 PolarHBondContact O-N 3.15Å; V157-R161 PolarHBondContact O-N 3.26Å; V157-L391 HydrophobicContact CG1-CD2 3.75Å; V157-L391 HydrophobicContact CG1-CG 4.35Å |
| 158 | L | 90.4 | Very high | 84.5 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.6 | -42.2 | 176.3 | -64.6 | -179.1 | 0 | 0 | 0 | 111.9 | I86 K87 L130 R154 Q155 A156 H160 R161 V162 | I86-L158 HydrophobicContact CB-CD1 4.25Å; I86-L158 HydrophobicContact CG2-CD1 3.86Å; K87-L158 HydrophobicContact CB-CD1 4.45Å; K87-L158 HydrophobicContact CB-CD2 3.93Å; K87-L158 HydrophobicContact CG-CD2 4.25Å; L130-L158 HydrophobicContact CD1-CB 4.18Å; L130-L158 HydrophobicContact CD1-CD1 4.37Å; L130-L158 HydrophobicContact CD2-CB 4.24Å; R154-L158 PolarHBondContact O-N 3.22Å; Q155-L158 PolarHBondContact O-N 3.24Å; Q155-L158 VanDerWaalsContact O-N 3.13Å; A156-L158 VanDerWaalsContact C-N 3.32Å; A156-L158 PolarHBondContact O-N 3.38Å; L158-H160 PolarHBondContact O-N 3.36Å; L158-R161 WeakPolarHBondContact O-CB 3.46Å; L158-R161 PolarHBondContact O-N 2.97Å; L158-R161 VanDerWaalsContact O-N 3.15Å; L158-V162 PolarHBondContact O-N 3.35Å |
| 159 | C | 91.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.3 | -44.5 | 173.8 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | F131 Q155 A156 R161 V162 L163 L209 | F131-C159 HydrophobicContact CD1-CB 4.22Å; F131-C159 HydrophobicContact CE1-CB 3.6Å; F131-C159 HydrophobicContact CZ-CB 3.97Å; Q155-C159 PolarHBondContact O-N 3.15Å; Q155-C159 PolarHBondContact O-SG 2.98Å; Q155-C159 VanDerWaalsContact O-SG 3.39Å; A156-C159 WeakPolarHBondContact O-CB 3.14Å; A156-C159 PolarHBondContact O-N 3.33Å; C159-R161 VanDerWaalsContact C-N 3.29Å; C159-R161 PolarHBondContact O-N 3.44Å; C159-V162 PolarHBondContact O-N 3.16Å; C159-L163 WeakPolarHBondContact O-CB 3.28Å; C159-L163 VanDerWaalsContact O-CG 3.27Å; C159-L163 WeakPolarHBondContact O-CG 3.42Å; C159-L163 PolarHBondContact O-N 3.4Å; C159-L209 HydrophobicContact CB-CD1 3.57Å; C159-L209 HydrophobicContact CB-CD2 4.14Å |
| 160 | H | 90.1 | Very high | 87.8 | Confident | 31 Ų | 31 | 39.5 Ų | 39.5 | 14% | 0.144 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.3 | -40.8 | 173.4 | -90.5 | -82.3 | 0 | 0 | 0 | 112.3 | A156 L158 R164 L209 | A156-H160 WeakPolarHBondContact O-CB 3.37Å; A156-H160 PolarHBondContact O-CD2 2.69Å; A156-H160 VanDerWaalsContact O-CD2 3.23Å; A156-H160 PolarHBondContact O-N 2.88Å; L158-H160 PolarHBondContact O-N 3.36Å; H160-R164 VanDerWaalsContact O-CB 3.31Å; H160-R164 WeakPolarHBondContact O-CB 3.41Å; H160-R164 PolarHBondContact O-N 3.02Å; H160-L209 VanDerWaalsContact CD2-CD2 3.43Å; H160-L209 WeakPolarHBondContact CD2-CD2 3.48Å |
| 161 | R | 93.1 | Very high | 88.8 | Confident | 102 Ų | 102 | 39.8 Ų | 39.8 | 39% | 0.385 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.8 | -49.1 | 177.4 | -175 | 171.4 | 177.9 | 142.6 | -3.7 | 111.5 | V90 N91 V157 L158 C159 R164 T165 | V90-R161 HydrophobicContact CG1-CG 4.48Å; N91-R161 PolarHBondContact OD1-NE 3.34Å; N91-R161 PolarHBondContact OD1-NH1 2.95Å; N91-R161 PolarHBondContact OD1-NH2 3.48Å; N91-R161 VanDerWaalsContact OD1-NH2 3.09Å; V157-R161 PolarHBondContact O-N 3.26Å; L158-R161 WeakPolarHBondContact O-CB 3.46Å; L158-R161 PolarHBondContact O-N 2.97Å; L158-R161 VanDerWaalsContact O-N 3.15Å; C159-R161 VanDerWaalsContact C-N 3.29Å; C159-R161 PolarHBondContact O-N 3.44Å; R161-R164 PolarHBondContact O-N 3.23Å; R161-T165 PolarHBondContact O-N 2.97Å; R161-T165 PolarHBondContact O-OG1 2.82Å |
| 162 | V | 94.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60 | -48.7 | 177.4 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | V90 F127 L130 F131 L158 C159 R164 T165 L166 | V90-V162 HydrophobicContact CB-CG2 4.48Å; V90-V162 HydrophobicContact CG1-CG2 3.65Å; V90-V162 HydrophobicContact CG2-CG2 4.09Å; F127-V162 HydrophobicContact CB-CG1 4.31Å; F127-V162 HydrophobicContact CD1-CG1 3.92Å; F127-V162 HydrophobicContact CD1-CG2 3.83Å; F127-V162 HydrophobicContact CD2-CG1 3.73Å; F127-V162 HydrophobicContact CE1-CB 4.49Å; F127-V162 HydrophobicContact CE1-CG1 4.09Å; F127-V162 HydrophobicContact CE1-CG2 3.52Å; F127-V162 HydrophobicContact CE2-CG1 3.88Å; F127-V162 HydrophobicContact CG-CG1 3.75Å; F127-V162 HydrophobicContact CZ-CG1 4.05Å; F127-V162 HydrophobicContact CZ-CG2 3.94Å; L130-V162 HydrophobicContact CD2-CB 4.42Å; L130-V162 HydrophobicContact CD2-CG2 3.63Å; F131-V162 HydrophobicContact CE2-CB 4.33Å; F131-V162 HydrophobicContact CE2-CG1 4.01Å; F131-V162 HydrophobicContact CZ-CB 4.26Å; F131-V162 HydrophobicContact CZ-CG1 4.22Å; L158-V162 PolarHBondContact O-N 3.35Å; C159-V162 PolarHBondContact O-N 3.16Å; V162-R164 VanDerWaalsContact C-N 3.3Å; V162-R164 PolarHBondContact O-N 2.91Å; V162-T165 PolarHBondContact O-N 3.49Å; V162-L166 HydrophobicContact CG1-CD1 3.79Å; V162-L166 HydrophobicContact CG1-CG 4.23Å; V162-L166 WeakPolarHBondContact O-CG 3.39Å; V162-L166 PolarHBondContact O-N 3.35Å |
| 163 | L | 94.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.4 | -42.8 | 177.1 | -74.9 | 172.5 | 0 | 0 | 0 | 112.2 | F131 C159 Q167 L188 I191 R212 V213 V216 | F131-L163 HydrophobicContact CE1-CD1 4.23Å; F131-L163 HydrophobicContact CE1-CD2 4.33Å; F131-L163 HydrophobicContact CE1-CG 4.07Å; F131-L163 HydrophobicContact CZ-CD2 4.33Å; F131-L163 HydrophobicContact CZ-CG 4.03Å; C159-L163 WeakPolarHBondContact O-CB 3.28Å; C159-L163 VanDerWaalsContact O-CG 3.27Å; C159-L163 WeakPolarHBondContact O-CG 3.42Å; C159-L163 PolarHBondContact O-N 3.4Å; L163-Q167 WeakPolarHBondContact O-CB 3.31Å; L163-Q167 PolarHBondContact O-N 3.19Å; L163-L188 HydrophobicContact CD2-CD2 4.12Å; L163-I191 HydrophobicContact CD2-CD1 3.75Å; L163-R212 HydrophobicContact CD1-CG 4.32Å; L163-V213 HydrophobicContact CD1-CG1 4.2Å; L163-V213 HydrophobicContact CD2-CG1 4.08Å; L163-V216 HydrophobicContact CB-CG2 4.23Å; L163-V216 HydrophobicContact CD2-CB 4.3Å; L163-V216 HydrophobicContact CD2-CG1 4.07Å |
| 164 | R | 94.1 | Very high | 90.7 | Very high | 151 Ų | 151 | 43.6 Ų | 43.6 | 57% | 0.57 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -66.4 | -43.3 | 176.5 | -171.9 | 177.9 | -173.5 | 169.6 | 4.1 | 112.3 | H160 R161 V162 Q167 Q168 | H160-R164 VanDerWaalsContact O-CB 3.31Å; H160-R164 WeakPolarHBondContact O-CB 3.41Å; H160-R164 PolarHBondContact O-N 3.02Å; R161-R164 PolarHBondContact O-N 3.23Å; V162-R164 VanDerWaalsContact C-N 3.3Å; V162-R164 PolarHBondContact O-N 2.91Å; R164-Q167 PolarHBondContact O-N 3Å; R164-Q168 WeakPolarHBondContact O-CB 3.48Å; R164-Q168 WeakPolarHBondContact O-CG 3.41Å; R164-Q168 PolarHBondContact O-N 3.4Å |
| 165 | T | 93.9 | Very high | 91.1 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 14% | 0.141 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.9 | -39.6 | 178.5 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | C94 L97 R161 V162 Q168 T169 | C94-T165 HydrophobicContact CB-CG2 3.87Å; L97-T165 HydrophobicContact CD1-CG2 4.43Å; R161-T165 PolarHBondContact O-N 2.97Å; R161-T165 PolarHBondContact O-OG1 2.82Å; V162-T165 PolarHBondContact O-N 3.49Å; T165-Q168 PolarHBondContact O-N 3.49Å; T165-T169 VanDerWaalsContact O-CB 3.27Å; T165-T169 WeakPolarHBondContact O-CB 3.47Å; T165-T169 PolarHBondContact O-N 3.04Å; T165-T169 PolarHBondContact O-OG1 2.88Å |
| 166 | L | 95 | Very high | 91.4 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64 | -44.7 | 174.3 | -70.1 | 173.7 | 0 | 0 | 0 | 111.4 | L97 I124 V162 T169 A170 L184 F187 | L97-L166 HydrophobicContact CD1-CD2 3.68Å; I124-L166 HydrophobicContact CD1-CD2 4.39Å; I124-L166 HydrophobicContact CG1-CD2 3.85Å; V162-L166 HydrophobicContact CG1-CD1 3.79Å; V162-L166 HydrophobicContact CG1-CG 4.23Å; V162-L166 WeakPolarHBondContact O-CG 3.39Å; V162-L166 PolarHBondContact O-N 3.35Å; L166-T169 PolarHBondContact O-N 3.29Å; L166-A170 WeakPolarHBondContact O-CB 3.46Å; L166-A170 PolarHBondContact O-N 3.47Å; L166-L184 HydrophobicContact CB-CD1 4.3Å; L166-L184 HydrophobicContact CD1-CD1 4.3Å; L166-L184 HydrophobicContact CD2-CD1 4.09Å; L166-L184 HydrophobicContact CG-CD1 4.47Å; L166-F187 HydrophobicContact CD1-CD1 4.06Å; L166-F187 HydrophobicContact CD1-CE1 3.42Å; L166-F187 VanDerWaalsContact CD1-CE1 3.42Å; L166-F187 HydrophobicContact CD1-CZ 4.13Å |
| 167 | Q | 93.3 | Very high | 91.8 | Very high | 15 Ų | 15 | 45.8 Ų | 45.8 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60 | -48.8 | 174.9 | 176.5 | 170 | 72.9 | 0 | 0 | 112.4 | L163 R164 T169 A170 Q171 V216 E219 V220 | L163-Q167 WeakPolarHBondContact O-CB 3.31Å; L163-Q167 PolarHBondContact O-N 3.19Å; R164-Q167 PolarHBondContact O-N 3Å; Q167-T169 VanDerWaalsContact C-N 3.32Å; Q167-T169 PolarHBondContact O-N 3.32Å; Q167-A170 PolarHBondContact O-N 2.87Å; Q167-Q171 WeakPolarHBondContact O-CB 3.35Å; Q167-Q171 VanDerWaalsContact O-CG 3.32Å; Q167-Q171 WeakPolarHBondContact O-CG 3.38Å; Q167-Q171 PolarHBondContact O-N 3.25Å; Q167-V216 HydrophobicContact CB-CG1 4.24Å; Q167-E219 PolarHBondContact NE2-OE2 3.16Å; Q167-V220 HydrophobicContact CB-CG2 4.4Å |
| 168 | Q | 93.1 | Very high | 91.9 | Very high | 77 Ų | 77 | 49.9 Ų | 49.9 | 36% | 0.36 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.4 | -39 | 178.1 | -73.4 | -178.5 | -59.9 | 0 | 0 | 111.7 | R164 T165 Q171 I172 | R164-Q168 WeakPolarHBondContact O-CB 3.48Å; R164-Q168 WeakPolarHBondContact O-CG 3.41Å; R164-Q168 PolarHBondContact O-N 3.4Å; T165-Q168 PolarHBondContact O-N 3.49Å; Q168-Q171 PolarHBondContact O-N 3.48Å; Q168-I172 HydrophobicContact CB-CD1 4.41Å; Q168-I172 VanDerWaalsContact O-CB 3.27Å; Q168-I172 WeakPolarHBondContact O-CB 3.38Å; Q168-I172 VanDerWaalsContact O-CG1 3.25Å; Q168-I172 WeakPolarHBondContact O-CG1 3.36Å; Q168-I172 PolarHBondContact O-N 3Å |
| 169 | T | 93 | Very high | 92 | Very high | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 176.2 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | L100 H101 T165 L166 Q167 I172 S173 | L100-T169 HydrophobicContact CB-CG2 3.82Å; L100-T169 HydrophobicContact CD1-CG2 3.91Å; H101-T169 PolarHBondContact NE2-OG1 3.32Å; T165-T169 VanDerWaalsContact O-CB 3.27Å; T165-T169 WeakPolarHBondContact O-CB 3.47Å; T165-T169 PolarHBondContact O-N 3.04Å; T165-T169 PolarHBondContact O-OG1 2.88Å; L166-T169 PolarHBondContact O-N 3.29Å; Q167-T169 VanDerWaalsContact C-N 3.32Å; Q167-T169 PolarHBondContact O-N 3.32Å; T169-I172 PolarHBondContact O-N 3.42Å; T169-S173 WeakPolarHBondContact O-CB 3.37Å; T169-S173 PolarHBondContact O-N 3.02Å |
| 170 | A | 92.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L166 Q167 W181 L184 V220 L223 R227 | L166-A170 WeakPolarHBondContact O-CB 3.46Å; L166-A170 PolarHBondContact O-N 3.47Å; Q167-A170 PolarHBondContact O-N 2.87Å; A170-W181 HydrophobicContact CB-CH2 4.01Å; A170-W181 HydrophobicContact CB-CZ3 4.25Å; A170-L184 HydrophobicContact CB-CD2 4.03Å; A170-V220 HydrophobicContact CB-CG1 4.19Å; A170-V220 HydrophobicContact CB-CG2 4.3Å; A170-L223 VanDerWaalsContact C-CD2 3.44Å; A170-L223 HydrophobicContact CB-CD2 4.19Å; A170-L223 VanDerWaalsContact O-CD2 3.28Å; A170-L223 WeakPolarHBondContact O-CD2 3.44Å; A170-R227 PolarHBondContact O-NH1 2.73Å |
| 171 | Q | 90.8 | Very high | 92.3 | Very high | 93 Ų | 93 | 54.1 Ų | 54.1 | 44% | 0.435 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.3 | -47.5 | 177.1 | -75.3 | 170.6 | -16.9 | 0 | 0 | 112.6 | Q167 Q168 L223 R227 | Q167-Q171 WeakPolarHBondContact O-CB 3.35Å; Q167-Q171 VanDerWaalsContact O-CG 3.32Å; Q167-Q171 WeakPolarHBondContact O-CG 3.38Å; Q167-Q171 PolarHBondContact O-N 3.25Å; Q168-Q171 PolarHBondContact O-N 3.48Å; Q171-L223 HydrophobicContact CB-CD2 4.42Å; Q171-L223 HydrophobicContact CG-CD2 4.08Å; Q171-R227 PolarHBondContact O-NH1 3.34Å; Q171-R227 PolarHBondContact O-NH2 2.89Å |
| 172 | I | 91.2 | Very high | 92.3 | Very high | 77 Ų | 77 | 51.1 Ų | 51.1 | 40% | 0.395 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -85.2 | -31.8 | -170.9 | -65.6 | 167.2 | 0 | 0 | 0 | 112.6 | H101 P102 Q168 T169 | H101-I172 HydrophobicContact CB-CG2 4.2Å; P102-I172 VanDerWaalsContact CD-CG2 3.48Å; P102-I172 HydrophobicContact CG-CG2 4.33Å; Q168-I172 HydrophobicContact CB-CD1 4.41Å; Q168-I172 VanDerWaalsContact O-CB 3.27Å; Q168-I172 WeakPolarHBondContact O-CB 3.38Å; Q168-I172 VanDerWaalsContact O-CG1 3.25Å; Q168-I172 WeakPolarHBondContact O-CG1 3.36Å; Q168-I172 PolarHBondContact O-N 3Å; T169-I172 PolarHBondContact O-N 3.42Å |
| 173 | S | 90 | Very high | 92.1 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | trans | -74.1 | 130.7 | -173.2 | -170.2 | 0 | 0 | 0 | 0 | 113.9 | L100 T169 L175 M176 R227 | L100-S173 WeakPolarHBondContact O-CA 3.23Å; L100-S173 WeakPolarHBondContact O-CB 2.95Å; L100-S173 PolarHBondContact O-OG 3.47Å; T169-S173 WeakPolarHBondContact O-CB 3.37Å; T169-S173 PolarHBondContact O-N 3.02Å; S173-L175 PolarHBondContact OG-N 3.07Å; S173-L175 VanDerWaalsContact OG-N 3.09Å; S173-M176 PolarHBondContact OG-N 3.23Å; S173-R227 PolarHBondContact O-NH1 2.84Å | ||
| 174 | Q | 84.5 | Confident | 92.2 | Very high | 172 Ų | 172 | 52.6 Ų | 52.6 | 80% | 0.804 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -108.3 | 9.8 | 164.1 | -56.4 | -166.5 | 17.9 | 0 | 0 | 112.4 | ||
| 175 | L | 89 | Confident | 92.2 | Very high | 102 Ų | 102 | 45.4 Ų | 45.4 | 53% | 0.534 | 22% | 0.219 | S | C | . | . | trans | -103.9 | -13 | -177.4 | -61.9 | 177.1 | 0 | 0 | 0 | 113.5 | L100 N117 S173 D177 | L100-L175 HydrophobicContact CD2-CB 4.29Å; N117-L175 PolarHBondContact ND2-O 2.93Å; S173-L175 PolarHBondContact OG-N 3.07Å; S173-L175 VanDerWaalsContact OG-N 3.09Å; L175-D177 PolarHBondContact O-N 2.99Å | ||
| 176 | M | 91.9 | Very high | 92.1 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 9% | 0.094 | 22% | 0.22 | C | C | . | . | trans | -64.4 | 115.5 | -179.5 | -76.8 | 174.4 | 63.8 | 0 | 0 | 112.1 | L100 N117 S173 T180 W181 L184 | L100-M176 HydrophobicContact CD1-CG 3.8Å; L100-M176 HydrophobicContact CD1-SD 4.4Å; L100-M176 HydrophobicContact CD2-CG 4.08Å; L100-M176 HydrophobicContact CG-CG 4.45Å; N117-M176 WeakPolarHBondContact OD1-CA 3.42Å; S173-M176 PolarHBondContact OG-N 3.23Å; M176-T180 HydrophobicContact CB-CG2 4.48Å; M176-T180 HydrophobicContact CE-CG2 4.2Å; M176-T180 HydrophobicContact CG-CG2 4.1Å; M176-W181 HydrophobicContact CB-CZ2 4.5Å; M176-W181 HydrophobicContact CE-CD2 3.72Å; M176-W181 HydrophobicContact CE-CE3 4Å; M176-W181 HydrophobicContact CE-CG 4.1Å; M176-W181 HydrophobicContact CE-CH2 4.34Å; M176-W181 HydrophobicContact CE-CZ2 4.08Å; M176-W181 HydrophobicContact CE-CZ3 4.31Å; M176-W181 PolarHBondContact O-NE1 2.87Å; M176-W181 HydrophobicContact SD-CZ2 4.16Å; M176-L184 HydrophobicContact CE-CB 4.47Å; M176-L184 HydrophobicContact CE-CD2 3.76Å | ||
| 177 | D | 92.7 | Very high | 91.9 | Very high | 53 Ų | 53 | 45.7 Ų | 45.7 | 28% | 0.283 | 22% | 0.219 | S | C | . | . | trans | -74.3 | 169.2 | 173 | 76.6 | 45.3 | 0 | 0 | 0 | 112.4 | N117 R121 L175 Q179 T180 W181 | N117-D177 WeakPolarHBondContact CB-OD2 3.08Å; N117-D177 PolarHBondContact OD1-N 3.02Å; N117-D177 PolarHBondContact OD1-OD2 3.34Å; R121-D177 IonicContact NH2-OD2 2.78Å; L175-D177 PolarHBondContact O-N 2.99Å; D177-Q179 VanDerWaalsContact C-N 3.32Å; D177-Q179 PolarHBondContact O-N 2.97Å; D177-Q179 VanDerWaalsContact OD1-CA 3.31Å; D177-Q179 WeakPolarHBondContact OD1-CA 3.45Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.47Å; D177-Q179 PolarHBondContact OD1-N 3.16Å; D177-T180 PolarHBondContact O-N 2.95Å; D177-T180 VanDerWaalsContact O-N 3.13Å; D177-T180 PolarHBondContact OD1-N 3.39Å; D177-T180 PolarHBondContact OD1-OG1 2.72Å; D177-W181 VanDerWaalsContact O-CD1 3.25Å; D177-W181 PolarHBondContact O-N 2.93Å | ||
| 178 | R | 91.8 | Very high | 91.9 | Very high | 115 Ų | 115 | 45 Ų | 45 | 43% | 0.434 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59 | -38.5 | -179.2 | 178.9 | 168.2 | -174 | 99.1 | 12.6 | 113.2 | T180 W181 D182 S228 F229 | R178-T180 VanDerWaalsContact C-N 3.31Å; R178-T180 PolarHBondContact O-N 3.31Å; R178-W181 PolarHBondContact O-N 3.5Å; R178-D182 IonicContact NE-OD2 3.91Å; R178-D182 IonicContact NH2-OD1 2.81Å; R178-D182 WeakPolarHBondContact O-CB 3.36Å; R178-D182 PolarHBondContact O-N 3.37Å; R178-S228 PolarHBondContact NH1-OG 3.05Å; R178-F229 PolarHBondContact NH1-O 3.35Å; R178-F229 VanDerWaalsContact NH1-O 3.13Å; R178-F229 PolarHBondContact NH2-O 3.11Å |
| 179 | Q | 91.5 | Very high | 91.8 | Very high | 123 Ų | 123 | 41.3 Ų | 41.3 | 58% | 0.575 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -69.2 | -32.6 | 178.7 | -62.8 | -177.5 | -11.2 | 0 | 0 | 111.2 | D177 T183 | D177-Q179 VanDerWaalsContact C-N 3.32Å; D177-Q179 PolarHBondContact O-N 2.97Å; D177-Q179 VanDerWaalsContact OD1-CA 3.31Å; D177-Q179 WeakPolarHBondContact OD1-CA 3.45Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.47Å; D177-Q179 PolarHBondContact OD1-N 3.16Å; Q179-T183 VanDerWaalsContact O-CB 3.29Å; Q179-T183 WeakPolarHBondContact O-CB 3.48Å; Q179-T183 PolarHBondContact O-N 3.3Å; Q179-T183 PolarHBondContact O-OG1 2.91Å |
| 180 | T | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.5 | -37.2 | 174.7 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | L100 N117 A120 R121 M176 D177 R178 L184 | L100-T180 HydrophobicContact CD1-CG2 4.47Å; N117-T180 WeakPolarHBondContact CB-OG1 3.38Å; N117-T180 VanDerWaalsContact OD1-CB 3.29Å; N117-T180 WeakPolarHBondContact OD1-CB 3.25Å; N117-T180 PolarHBondContact OD1-OG1 3.35Å; A120-T180 HydrophobicContact CB-CG2 4.45Å; R121-T180 WeakPolarHBondContact CD-OG1 3.19Å; R121-T180 HydrophobicContact CG-CG2 4.16Å; R121-T180 PolarHBondContact NE-OG1 2.79Å; M176-T180 HydrophobicContact CB-CG2 4.48Å; M176-T180 HydrophobicContact CE-CG2 4.2Å; M176-T180 HydrophobicContact CG-CG2 4.1Å; D177-T180 PolarHBondContact O-N 2.95Å; D177-T180 VanDerWaalsContact O-N 3.13Å; D177-T180 PolarHBondContact OD1-N 3.39Å; D177-T180 PolarHBondContact OD1-OG1 2.72Å; R178-T180 VanDerWaalsContact C-N 3.31Å; R178-T180 PolarHBondContact O-N 3.31Å; T180-L184 WeakPolarHBondContact O-CB 3.44Å; T180-L184 PolarHBondContact O-N 3.23Å |
| 181 | W | 94.9 | Very high | 91.4 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.3 | -51.3 | 167.5 | -79.3 | 102.6 | 0 | 0 | 0 | 112.1 | A170 M176 D177 R178 T183 L184 L185 V220 L223 A224 R227 | A170-W181 HydrophobicContact CB-CH2 4.01Å; A170-W181 HydrophobicContact CB-CZ3 4.25Å; M176-W181 HydrophobicContact CB-CZ2 4.5Å; M176-W181 HydrophobicContact CE-CD2 3.72Å; M176-W181 HydrophobicContact CE-CE3 4Å; M176-W181 HydrophobicContact CE-CG 4.1Å; M176-W181 HydrophobicContact CE-CH2 4.34Å; M176-W181 HydrophobicContact CE-CZ2 4.08Å; M176-W181 HydrophobicContact CE-CZ3 4.31Å; M176-W181 PolarHBondContact O-NE1 2.87Å; M176-W181 HydrophobicContact SD-CZ2 4.16Å; D177-W181 VanDerWaalsContact O-CD1 3.25Å; D177-W181 PolarHBondContact O-N 2.93Å; R178-W181 PolarHBondContact O-N 3.5Å; W181-T183 VanDerWaalsContact C-N 3.27Å; W181-T183 PolarHBondContact O-N 3.03Å; W181-L184 PolarHBondContact O-N 3.37Å; W181-L185 WeakPolarHBondContact O-CG 3.5Å; W181-L185 PolarHBondContact O-N 2.91Å; W181-V220 HydrophobicContact CZ3-CG1 4.18Å; W181-L223 HydrophobicContact CH2-CD2 4Å; W181-L223 HydrophobicContact CH2-CG 4.05Å; W181-A224 HydrophobicContact CE3-CB 3.63Å; W181-A224 HydrophobicContact CZ3-CB 3.82Å; W181-R227 HydrophobicContact CZ2-CB 3.86Å; W181-R227 HydrophobicContact CZ2-CG 4.37Å |
| 182 | D | 92.1 | Very high | 91.4 | Very high | 39 Ų | 39 | 36.7 Ų | 36.7 | 21% | 0.209 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60 | -38.4 | 179.2 | -67.5 | -18.6 | 0 | 0 | 0 | 110.6 | R178 L186 M234 | R178-D182 IonicContact NE-OD2 3.91Å; R178-D182 IonicContact NH2-OD1 2.81Å; R178-D182 WeakPolarHBondContact O-CB 3.36Å; R178-D182 PolarHBondContact O-N 3.37Å; D182-L186 WeakPolarHBondContact O-CB 3.19Å; D182-L186 VanDerWaalsContact O-CG 3.27Å; D182-L186 WeakPolarHBondContact O-CG 3.5Å; D182-L186 PolarHBondContact O-N 3.49Å; D182-M234 HydrophobicContact CB-CE 4.43Å; D182-M234 HydrophobicContact CB-SD 4.49Å; D182-M234 WeakPolarHBondContact OD1-CE 3.45Å |
| 183 | T | 91.7 | Very high | 91.1 | Very high | 27 Ų | 27 | 34.2 Ų | 34.2 | 17% | 0.166 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66 | -44.2 | 174.5 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | R121 I124 Q179 W181 L186 F187 | R121-T183 HydrophobicContact CB-CG2 4.15Å; R121-T183 HydrophobicContact CG-CG2 4.04Å; I124-T183 HydrophobicContact CG2-CG2 4.15Å; Q179-T183 VanDerWaalsContact O-CB 3.29Å; Q179-T183 WeakPolarHBondContact O-CB 3.48Å; Q179-T183 PolarHBondContact O-N 3.3Å; Q179-T183 PolarHBondContact O-OG1 2.91Å; W181-T183 VanDerWaalsContact C-N 3.27Å; W181-T183 PolarHBondContact O-N 3.03Å; T183-L186 PolarHBondContact O-N 3.39Å; T183-F187 WeakPolarHBondContact O-CB 3.27Å; T183-F187 PolarHBondContact O-N 3.21Å |
| 184 | L | 94.4 | Very high | 90.8 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.8 | -42.4 | 178.3 | 178.8 | 60.2 | 0 | 0 | 0 | 111.7 | I124 L166 A170 M176 T180 W181 F187 L188 V220 | I124-L184 HydrophobicContact CD1-CB 4.28Å; I124-L184 HydrophobicContact CD1-CD1 4.17Å; L166-L184 HydrophobicContact CB-CD1 4.3Å; L166-L184 HydrophobicContact CD1-CD1 4.3Å; L166-L184 HydrophobicContact CD2-CD1 4.09Å; L166-L184 HydrophobicContact CG-CD1 4.47Å; A170-L184 HydrophobicContact CB-CD2 4.03Å; M176-L184 HydrophobicContact CE-CB 4.47Å; M176-L184 HydrophobicContact CE-CD2 3.76Å; T180-L184 WeakPolarHBondContact O-CB 3.44Å; T180-L184 PolarHBondContact O-N 3.23Å; W181-L184 PolarHBondContact O-N 3.37Å; L184-F187 PolarHBondContact O-N 3Å; L184-L188 HydrophobicContact CD1-CD1 4.22Å; L184-L188 HydrophobicContact CD1-CG 4.28Å; L184-L188 HydrophobicContact CG-CD1 4.14Å; L184-L188 WeakPolarHBondContact O-CB 3.26Å; L184-L188 VanDerWaalsContact O-CG 3.28Å; L184-L188 WeakPolarHBondContact O-CG 3.24Å; L184-L188 PolarHBondContact O-N 3.05Å; L184-V220 HydrophobicContact CD2-CG1 3.79Å; L184-V220 HydrophobicContact CG-CG1 4.27Å |
| 185 | L | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.7 | -39 | 178.3 | -63.9 | 178.8 | 0 | 0 | 0 | 111.9 | W181 L188 L189 V220 W221 A224 P230 M234 | W181-L185 WeakPolarHBondContact O-CG 3.5Å; W181-L185 PolarHBondContact O-N 2.91Å; L185-L188 PolarHBondContact O-N 2.75Å; L185-L189 WeakPolarHBondContact O-CB 3.47Å; L185-L189 VanDerWaalsContact O-CG 3.31Å; L185-L189 WeakPolarHBondContact O-CG 3.28Å; L185-L189 PolarHBondContact O-N 3.21Å; L185-V220 HydrophobicContact CD2-CG1 4.04Å; L185-W221 HydrophobicContact CB-CE3 4.39Å; L185-W221 HydrophobicContact CB-CZ3 4.11Å; L185-W221 HydrophobicContact CD1-CE3 4.32Å; L185-W221 HydrophobicContact CD1-CZ3 4.44Å; L185-W221 HydrophobicContact CD2-CD2 4.33Å; L185-W221 HydrophobicContact CD2-CE3 3.76Å; L185-W221 HydrophobicContact CD2-CZ3 4.35Å; L185-W221 HydrophobicContact CG-CE3 4.38Å; L185-A224 HydrophobicContact CD1-CB 3.83Å; L185-A224 HydrophobicContact CD2-CB 4.34Å; L185-P230 HydrophobicContact CD1-CG 4.06Å; L185-M234 HydrophobicContact CB-SD 4Å; L185-M234 HydrophobicContact CD1-CE 3.75Å; L185-M234 HydrophobicContact CD1-SD 4.23Å |
| 186 | L | 91.8 | Very high | 90.4 | Very high | 32 Ų | 32 | 22.2 Ų | 22.2 | 17% | 0.168 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.1 | -42.1 | 172.5 | -77.9 | 169.5 | 0 | 0 | 0 | 112.3 | L8 I12 D182 T183 L189 A190 | L8-L186 HydrophobicContact CB-CD2 4.29Å; L8-L186 HydrophobicContact CD1-CD2 3.98Å; I12-L186 HydrophobicContact CD1-CD2 4.32Å; I12-L186 HydrophobicContact CG1-CD2 4.16Å; D182-L186 WeakPolarHBondContact O-CB 3.19Å; D182-L186 VanDerWaalsContact O-CG 3.27Å; D182-L186 WeakPolarHBondContact O-CG 3.5Å; D182-L186 PolarHBondContact O-N 3.49Å; T183-L186 PolarHBondContact O-N 3.39Å; L186-L189 PolarHBondContact O-N 3.45Å; L186-A190 VanDerWaalsContact O-CB 3.24Å; L186-A190 WeakPolarHBondContact O-CB 3.37Å; L186-A190 PolarHBondContact O-N 3.22Å |
| 187 | F | 91.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.3 | -50.3 | 172.8 | 167.3 | -93.2 | 0 | 0 | 0 | 111.4 | I124 F127 H128 F131 L166 T183 L184 L189 A190 I191 | I124-F187 HydrophobicContact CG2-CB 3.39Å; I124-F187 HydrophobicContact CG2-CD1 4.09Å; I124-F187 HydrophobicContact CG2-CD2 3.85Å; I124-F187 HydrophobicContact CG2-CG 3.51Å; I124-F187 WeakPolarHBondContact O-CD2 3.13Å; I124-F187 VanDerWaalsContact O-CE2 3.24Å; I124-F187 WeakPolarHBondContact O-CE2 3.22Å; F127-F187 HydrophobicContact CB-CE2 3.79Å; F127-F187 HydrophobicContact CB-CZ 3.89Å; H128-F187 AromaticContact CD2-CD2 3.86Å; H128-F187 AromaticContact CE1-CD2 3.44Å; H128-F187 VanDerWaalsContact CE1-CD2 3.44Å; H128-F187 WeakPolarHBondContact CE1-CD2 3.06Å; H128-F187 AromaticContact CE1-CE2 3.99Å; H128-F187 AromaticContact ND1-CD2 3.82Å; H128-F187 AromaticContact ND1-CE2 3.92Å; H128-F187 AromaticContact NE2-CD2 3.48Å; H128-F187 WeakPolarHBondContact NE2-CD2 3.36Å; F131-F187 HydrophobicContact CD2-CZ 4.09Å; F131-F187 AromaticContact CE2-CZ 3.85Å; F131-F187 HydrophobicContact CE2-CZ 3.85Å; L166-F187 HydrophobicContact CD1-CD1 4.06Å; L166-F187 HydrophobicContact CD1-CE1 3.42Å; L166-F187 VanDerWaalsContact CD1-CE1 3.42Å; L166-F187 HydrophobicContact CD1-CZ 4.13Å; T183-F187 WeakPolarHBondContact O-CB 3.27Å; T183-F187 PolarHBondContact O-N 3.21Å; L184-F187 PolarHBondContact O-N 3Å; F187-L189 PolarHBondContact O-N 2.83Å; F187-A190 PolarHBondContact O-N 3.23Å; F187-A190 VanDerWaalsContact O-N 3.15Å; F187-I191 HydrophobicContact CD1-CD1 4.41Å; F187-I191 HydrophobicContact CD2-CG2 4.17Å; F187-I191 HydrophobicContact CE1-CD1 3.71Å; F187-I191 HydrophobicContact CE1-CG1 4.39Å; F187-I191 HydrophobicContact CE1-CG2 4.26Å; F187-I191 HydrophobicContact CE2-CG2 3.7Å; F187-I191 HydrophobicContact CZ-CD1 4.02Å; F187-I191 HydrophobicContact CZ-CG2 3.75Å; F187-I191 WeakPolarHBondContact O-CG1 3.48Å; F187-I191 PolarHBondContact O-N 2.85Å |
| 188 | L | 93.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.9 | -40.8 | -179.3 | -72.1 | 172.6 | 0 | 0 | 0 | 111.9 | L163 L184 L185 I191 N192 V216 L217 V220 | L163-L188 HydrophobicContact CD2-CD2 4.12Å; L184-L188 HydrophobicContact CD1-CD1 4.22Å; L184-L188 HydrophobicContact CD1-CG 4.28Å; L184-L188 HydrophobicContact CG-CD1 4.14Å; L184-L188 WeakPolarHBondContact O-CB 3.26Å; L184-L188 VanDerWaalsContact O-CG 3.28Å; L184-L188 WeakPolarHBondContact O-CG 3.24Å; L184-L188 PolarHBondContact O-N 3.05Å; L185-L188 PolarHBondContact O-N 2.75Å; L188-I191 HydrophobicContact CD2-CD1 4.18Å; L188-I191 WeakPolarHBondContact O-CG1 3.36Å; L188-N192 PolarHBondContact O-N 2.82Å; L188-N192 PolarHBondContact O-ND2 3.26Å; L188-V216 HydrophobicContact CD2-CG1 4.03Å; L188-L217 HydrophobicContact CB-CD1 3.77Å; L188-V220 HydrophobicContact CD1-CB 3.84Å; L188-V220 HydrophobicContact CD1-CG1 3.79Å; L188-V220 HydrophobicContact CD1-CG2 4.19Å |
| 189 | L | 91.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.9 | -47.9 | 171.7 | -72.8 | 169.7 | 0 | 0 | 0 | 111.6 | I12 L185 L186 F187 N192 E193 L217 W221 T237 L238 W245 | I12-L189 HydrophobicContact CD1-CB 3.59Å; I12-L189 HydrophobicContact CD1-CD1 3.96Å; I12-L189 HydrophobicContact CD1-CG 4.39Å; L185-L189 WeakPolarHBondContact O-CB 3.47Å; L185-L189 VanDerWaalsContact O-CG 3.31Å; L185-L189 WeakPolarHBondContact O-CG 3.28Å; L185-L189 PolarHBondContact O-N 3.21Å; L186-L189 PolarHBondContact O-N 3.45Å; F187-L189 PolarHBondContact O-N 2.83Å; L189-N192 PolarHBondContact O-N 2.81Å; L189-E193 PolarHBondContact O-N 3.11Å; L189-L217 HydrophobicContact CD2-CD1 4.23Å; L189-L217 HydrophobicContact CD2-CD2 4.44Å; L189-L217 HydrophobicContact CG-CD1 4.38Å; L189-W221 HydrophobicContact CD1-CH2 4.11Å; L189-W221 HydrophobicContact CD1-CZ3 3.9Å; L189-W221 HydrophobicContact CD2-CZ3 4.13Å; L189-W221 HydrophobicContact CG-CZ3 4Å; L189-T237 HydrophobicContact CD1-CG2 4.15Å; L189-L238 HydrophobicContact CD2-CB 3.99Å; L189-L238 HydrophobicContact CD2-CD1 3.58Å; L189-L238 HydrophobicContact CD2-CG 4.37Å; L189-W245 HydrophobicContact CD2-CH2 4.35Å |
| 190 | A | 88.2 | Confident | 85.5 | Confident | 2 Ų | 2 | 11.8 Ų | 11.8 | 2% | 0.017 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -69.4 | -33.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I12 L186 F187 E193 I194 | I12-A190 HydrophobicContact CG2-CB 3.93Å; L186-A190 VanDerWaalsContact O-CB 3.24Å; L186-A190 WeakPolarHBondContact O-CB 3.37Å; L186-A190 PolarHBondContact O-N 3.22Å; F187-A190 PolarHBondContact O-N 3.23Å; F187-A190 VanDerWaalsContact O-N 3.15Å; A190-E193 PolarHBondContact O-N 3.05Å; A190-I194 WeakPolarHBondContact O-CB 3.33Å; A190-I194 WeakPolarHBondContact O-CD1 3.41Å; A190-I194 WeakPolarHBondContact O-CG1 3.32Å; A190-I194 PolarHBondContact O-N 3.19Å |
| 191 | I | 89 | Confident | 83.8 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -72.8 | -32.7 | 171.2 | 64.8 | 168.5 | 0 | 0 | 0 | 112.6 | H128 F131 L163 F187 L188 I194 L195 V213 | H128-I191 WeakPolarHBondContact ND1-CG2 3.22Å; F131-I191 HydrophobicContact CB-CB 4.07Å; F131-I191 HydrophobicContact CB-CG2 3.73Å; F131-I191 HydrophobicContact CD1-CB 4.06Å; F131-I191 HydrophobicContact CD1-CD1 3.86Å; F131-I191 HydrophobicContact CD1-CG2 4.24Å; F131-I191 HydrophobicContact CD2-CG2 3.95Å; F131-I191 HydrophobicContact CE1-CD1 3.69Å; F131-I191 HydrophobicContact CE2-CD1 4.42Å; F131-I191 HydrophobicContact CG-CB 4.01Å; F131-I191 HydrophobicContact CG-CD1 4.3Å; F131-I191 HydrophobicContact CG-CG2 3.71Å; F131-I191 HydrophobicContact CZ-CD1 4.01Å; L163-I191 HydrophobicContact CD2-CD1 3.75Å; F187-I191 HydrophobicContact CD1-CD1 4.41Å; F187-I191 HydrophobicContact CD2-CG2 4.17Å; F187-I191 HydrophobicContact CE1-CD1 3.71Å; F187-I191 HydrophobicContact CE1-CG1 4.39Å; F187-I191 HydrophobicContact CE1-CG2 4.26Å; F187-I191 HydrophobicContact CE2-CG2 3.7Å; F187-I191 HydrophobicContact CZ-CD1 4.02Å; F187-I191 HydrophobicContact CZ-CG2 3.75Å; F187-I191 WeakPolarHBondContact O-CG1 3.48Å; F187-I191 PolarHBondContact O-N 2.85Å; L188-I191 HydrophobicContact CD2-CD1 4.18Å; L188-I191 WeakPolarHBondContact O-CG1 3.36Å; I191-I194 PolarHBondContact O-N 2.8Å; I191-L195 WeakPolarHBondContact O-CB 3.45Å; I191-L195 WeakPolarHBondContact O-CG 3.5Å; I191-L195 PolarHBondContact O-N 3.09Å; I191-V213 HydrophobicContact CD1-CG1 3.69Å; I191-V213 HydrophobicContact CG1-CG1 3.96Å |
| 192 | N | 89.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.1 | -40.4 | 171.7 | -84.4 | -93.5 | 0 | 0 | 0 | 110.2 | L188 L189 I194 L195 L196 V213 W245 | L188-N192 PolarHBondContact O-N 2.82Å; L188-N192 PolarHBondContact O-ND2 3.26Å; L189-N192 PolarHBondContact O-N 2.81Å; N192-I194 PolarHBondContact O-N 3.16Å; N192-L195 PolarHBondContact O-N 2.83Å; N192-L196 HydrophobicContact CB-CD1 4.14Å; N192-L196 WeakPolarHBondContact O-CA 3.37Å; N192-L196 WeakPolarHBondContact O-CB 3.44Å; N192-L196 VanDerWaalsContact O-CG 3.29Å; N192-L196 WeakPolarHBondContact O-CG 3.46Å; N192-L196 PolarHBondContact O-N 3.11Å; N192-L196 WeakPolarHBondContact OD1-CD1 3.25Å; N192-V213 WeakPolarHBondContact ND2-CG1 3.41Å; N192-V213 PolarHBondContact ND2-O 3.09Å; N192-V213 WeakPolarHBondContact OD1-CB 3.4Å; N192-W245 HydrophobicContact CB-CE3 4.39Å; N192-W245 HydrophobicContact CB-CH2 3.22Å; N192-W245 HydrophobicContact CB-CZ2 3.45Å; N192-W245 VanDerWaalsContact CB-CZ2 3.45Å; N192-W245 HydrophobicContact CB-CZ3 3.74Å |
| 193 | E | 86.3 | Confident | 80.7 | Confident | 24 Ų | 24 | 28.6 Ų | 28.6 | 11% | 0.112 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 174.2 | -166.1 | 68.9 | -168.1 | 0 | 0 | 111.2 | I12 L189 A190 L195 A197 S241 W245 | I12-E193 HydrophobicContact CG2-CB 4.28Å; I12-E193 HydrophobicContact CG2-CG 4.39Å; L189-E193 PolarHBondContact O-N 3.11Å; A190-E193 PolarHBondContact O-N 3.05Å; E193-L195 VanDerWaalsContact C-N 3.34Å; E193-L195 PolarHBondContact O-N 2.89Å; E193-A197 HydrophobicContact CG-CB 4.22Å; E193-A197 WeakPolarHBondContact O-CB 3.36Å; E193-A197 PolarHBondContact O-N 3.42Å; E193-S241 PolarHBondContact OE2-OG 2.88Å; E193-S241 VanDerWaalsContact OE2-OG 3.08Å; E193-W245 HydrophobicContact CB-CZ2 4.29Å; E193-W245 WeakPolarHBondContact OE2-CZ2 3.2Å; E193-W245 PolarHBondContact OE2-NE1 2.87Å |
| 194 | I | 81.7 | Confident | 79.6 | Confident | 21 Ų | 21 | 28.7 Ų | 28.7 | 11% | 0.108 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.5 | -38.1 | 178.3 | -73.4 | 165.1 | 0 | 0 | 0 | 112.7 | A19 F131 P133 A190 I191 N192 P198 | A19-I194 HydrophobicContact CB-CD1 4.1Å; F131-I194 WeakPolarHBondContact O-CG2 3.32Å; P133-I194 HydrophobicContact CG-CG2 4.41Å; A190-I194 WeakPolarHBondContact O-CB 3.33Å; A190-I194 WeakPolarHBondContact O-CD1 3.41Å; A190-I194 WeakPolarHBondContact O-CG1 3.32Å; A190-I194 PolarHBondContact O-N 3.19Å; I191-I194 PolarHBondContact O-N 2.8Å; N192-I194 PolarHBondContact O-N 3.16Å; I194-P198 WeakPolarHBondContact O-CG 3.34Å |
| 195 | L | 82.7 | Confident | 78.6 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -91.6 | -29.9 | -177.4 | -70 | 179 | 0 | 0 | 0 | 114.6 | F131 P133 I191 N192 E193 V205 L209 V213 | F131-L195 HydrophobicContact CD1-CD1 4.03Å; P133-L195 HydrophobicContact CG-CD2 4.38Å; I191-L195 WeakPolarHBondContact O-CB 3.45Å; I191-L195 WeakPolarHBondContact O-CG 3.5Å; I191-L195 PolarHBondContact O-N 3.09Å; N192-L195 PolarHBondContact O-N 2.83Å; E193-L195 VanDerWaalsContact C-N 3.34Å; E193-L195 PolarHBondContact O-N 2.89Å; L195-V205 HydrophobicContact CD2-CG1 4.03Å; L195-L209 HydrophobicContact CD1-CB 4.35Å; L195-L209 HydrophobicContact CD1-CD1 3.83Å; L195-V213 HydrophobicContact CD1-CG2 3.97Å |
| 196 | L | 83.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -109.8 | -21 | -169.7 | -52.6 | -178.6 | 0 | 0 | 0 | 114.1 | N192 C210 L214 W245 H247 | N192-L196 HydrophobicContact CB-CD1 4.14Å; N192-L196 WeakPolarHBondContact O-CA 3.37Å; N192-L196 WeakPolarHBondContact O-CB 3.44Å; N192-L196 VanDerWaalsContact O-CG 3.29Å; N192-L196 WeakPolarHBondContact O-CG 3.46Å; N192-L196 PolarHBondContact O-N 3.11Å; N192-L196 WeakPolarHBondContact OD1-CD1 3.25Å; L196-C210 HydrophobicContact CD2-CB 3.52Å; L196-L214 HydrophobicContact CD1-CD1 4.03Å; L196-L214 HydrophobicContact CD1-CD2 3.82Å; L196-L214 HydrophobicContact CD1-CG 3.87Å; L196-W245 HydrophobicContact CB-CB 4.11Å; L196-W245 HydrophobicContact CB-CD2 4.15Å; L196-W245 HydrophobicContact CB-CG 3.7Å; L196-W245 HydrophobicContact CD1-CB 4.4Å; L196-W245 HydrophobicContact CD1-CD2 3.94Å; L196-W245 HydrophobicContact CD1-CE3 3.96Å; L196-W245 HydrophobicContact CD1-CG 4.14Å; L196-H247 PolarHBondContact O-CE1 2.83Å; L196-H247 PolarHBondContact O-NE2 3.06Å |
| 197 | A | 72.8 | Confident | 76.7 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -73.7 | -28.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E193 | E193-A197 HydrophobicContact CG-CB 4.22Å; E193-A197 WeakPolarHBondContact O-CB 3.36Å; E193-A197 PolarHBondContact O-N 3.42Å |
| 198 | P | 68 | Low | 76.1 | Confident | 41 Ų | 41 | 33.6 Ų | 33.6 | 27% | 0.266 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -66.4 | 137.1 | 175.8 | -21.6 | 33.6 | 0 | 0 | 0 | 112.7 | I194 T200 R248 | I194-P198 WeakPolarHBondContact O-CG 3.34Å; P198-T200 HydrophobicContact CB-CG2 3.96Å; P198-T200 PolarHBondContact O-N 3.26Å; P198-T200 VanDerWaalsContact O-N 3.08Å; P198-R248 PolarHBondContact O-NH2 2.78Å |
| 199 | P | 62.7 | Low | 75.7 | Confident | 20 Ų | 20 | 33.6 Ų | 33.6 | 13% | 0.13 | 18% | 0.178 | C | C | . | . | trans | -69.2 | 98 | 160.1 | -13.6 | 28.6 | 0 | 0 | 0 | 108 | H325 F326 W329 H342 | P199-H325 HydrophobicContact CG-CB 4.36Å; P199-F326 HydrophobicContact CB-CD1 4.01Å; P199-F326 HydrophobicContact CB-CE1 3.79Å; P199-F326 HydrophobicContact CB-CZ 4.46Å; P199-F326 HydrophobicContact CG-CD1 3.67Å; P199-F326 HydrophobicContact CG-CE1 3.86Å; P199-F326 HydrophobicContact CG-CG 4.07Å; P199-F326 HydrophobicContact CG-CZ 4.4Å; P199-W329 HydrophobicContact CG-CB 4.22Å; P199-H342 WeakPolarHBondContact CB-NE2 3.19Å | ||
| 200 | T | 61.8 | Low | 75.5 | Confident | 24 Ų | 24 | 34.4 Ų | 34.4 | 15% | 0.147 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -84.1 | 150.7 | -172 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | P198 D204 R248 | P198-T200 HydrophobicContact CB-CG2 3.96Å; P198-T200 PolarHBondContact O-N 3.26Å; P198-T200 VanDerWaalsContact O-N 3.08Å; T200-D204 VanDerWaalsContact CB-CG 3.44Å; T200-D204 WeakPolarHBondContact CB-OD1 3.46Å; T200-D204 VanDerWaalsContact CG2-CG 3.47Å; T200-D204 WeakPolarHBondContact CG2-OD1 3.44Å; T200-D204 WeakPolarHBondContact CG2-OD2 3.22Å; T200-D204 PolarHBondContact OG1-OD1 3.39Å; T200-R248 PolarHBondContact OG1-NH1 3.41Å; T200-R248 PolarHBondContact OG1-NH2 2.99Å |
| 201 | V | 58.5 | Low | 75.5 | Confident | 116 Ų | 116 | 38.8 Ų | 38.8 | 70% | 0.703 | 20% | 0.203 | S | C | * | . | P | Polyproline II helix | trans | -63.1 | 146.6 | 157.6 | -177 | 0 | 0 | 0 | 0 | 107.2 | ||
| 202 | K | 57.8 | Low | 75.6 | Confident | 170 Ų | 170 | 41.5 Ų | 41.5 | 74% | 0.739 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 144.5 | 178.2 | -119.3 | -165.7 | 174.5 | -151.6 | 0 | 112.5 | ||
| 203 | D | 63.4 | Low | 75.7 | Confident | 111 Ų | 111 | 41.5 Ų | 41.5 | 59% | 0.594 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 31.7 | 168 | -48 | -61.1 | 0 | 0 | 0 | 114.1 | D207 | D203-D207 PolarHBondContact N-OD2 2.83Š|
| 204 | D | 68.3 | Low | 76 | Confident | 29 Ų | 29 | 40.3 Ų | 40.3 | 16% | 0.155 | 21% | 0.208 | C | C | . | . | trans | -85.2 | -179.6 | -179 | 93.2 | -73.2 | 0 | 0 | 0 | 114.7 | T200 G206 D207 Q208 | T200-D204 VanDerWaalsContact CB-CG 3.44Å; T200-D204 WeakPolarHBondContact CB-OD1 3.46Å; T200-D204 VanDerWaalsContact CG2-CG 3.47Å; T200-D204 WeakPolarHBondContact CG2-OD1 3.44Å; T200-D204 WeakPolarHBondContact CG2-OD2 3.22Å; T200-D204 PolarHBondContact OG1-OD1 3.39Å; D204-G206 VanDerWaalsContact C-N 3.28Å; D204-G206 VanDerWaalsContact CG-N 3.28Å; D204-G206 PolarHBondContact O-N 3.41Å; D204-G206 WeakPolarHBondContact OD2-CA 3.44Å; D204-G206 PolarHBondContact OD2-N 3.28Å; D204-D207 PolarHBondContact O-N 3.44Å; D204-D207 PolarHBondContact OD1-N 3.04Å; D204-D207 VanDerWaalsContact OD1-N 3.09Å; D204-Q208 PolarHBondContact O-N 3.08Å | ||
| 205 | V | 72.6 | Confident | 76.6 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 6% | 0.055 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.2 | -37.1 | 176.2 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | I152 L195 L209 | I152-V205 HydrophobicContact CB-CG2 4.26Å; I152-V205 HydrophobicContact CG1-CG2 4.04Å; I152-V205 HydrophobicContact CG2-CG2 3.85Å; L195-V205 HydrophobicContact CD2-CG1 4.03Å; V205-L209 HydrophobicContact CG1-CD1 3.66Å; V205-L209 HydrophobicContact CG1-CG 4.3Å; V205-L209 VanDerWaalsContact O-CB 3.31Å; V205-L209 WeakPolarHBondContact O-CB 3.49Å; V205-L209 WeakPolarHBondContact O-CG 3.34Å; V205-L209 PolarHBondContact O-N 3.13Å |
| 206 | G | 72.3 | Confident | 77.1 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.2 | -52.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D204 Q208 L209 C210 | D204-G206 VanDerWaalsContact C-N 3.28Å; D204-G206 VanDerWaalsContact CG-N 3.28Å; D204-G206 PolarHBondContact O-N 3.41Å; D204-G206 WeakPolarHBondContact OD2-CA 3.44Å; D204-G206 PolarHBondContact OD2-N 3.28Å; G206-Q208 PolarHBondContact O-N 3.07Å; G206-L209 PolarHBondContact O-N 3.02Å; G206-C210 WeakPolarHBondContact O-CA 3.49Å; G206-C210 WeakPolarHBondContact O-CB 3.32Å; G206-C210 PolarHBondContact O-N 3.43Å |
| 207 | D | 74.6 | Confident | 77.7 | Confident | 60 Ų | 60 | 39.6 Ų | 39.6 | 32% | 0.321 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.1 | -45.8 | 176.5 | -82.8 | -22.4 | 0 | 0 | 0 | 112.4 | D203 D204 C210 R248 | D203-D207 PolarHBondContact N-OD2 2.83Å; D204-D207 PolarHBondContact O-N 3.44Å; D204-D207 PolarHBondContact OD1-N 3.04Å; D204-D207 VanDerWaalsContact OD1-N 3.09Å; D207-C210 PolarHBondContact O-SG 2.86Å; D207-R248 IonicContact OD1-CZ 2.77Å; D207-R248 IonicContact OD1-NH1 3.76Å; D207-R248 PolarHBondContact OD1-NH1 2.9Å |
| 208 | Q | 78.8 | Confident | 78.8 | Confident | 71 Ų | 71 | 39.4 Ų | 39.4 | 33% | 0.332 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -70 | -31.4 | 179.9 | -69.7 | -174.6 | 35.8 | 0 | 0 | 114.1 | D204 G206 | D204-Q208 PolarHBondContact O-N 3.08Å; G206-Q208 PolarHBondContact O-N 3.07Å |
| 209 | L | 86 | Confident | 80 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -94 | -22.1 | -176.6 | -71.1 | -179.1 | 0 | 0 | 0 | 114.3 | A156 C159 H160 L195 V205 G206 E211 R212 V213 | A156-L209 HydrophobicContact CB-CD2 3.86Å; A156-L209 HydrophobicContact CB-CG 4.12Å; C159-L209 HydrophobicContact CB-CD1 3.57Å; C159-L209 HydrophobicContact CB-CD2 4.14Å; H160-L209 VanDerWaalsContact CD2-CD2 3.43Å; H160-L209 WeakPolarHBondContact CD2-CD2 3.48Å; L195-L209 HydrophobicContact CD1-CB 4.35Å; L195-L209 HydrophobicContact CD1-CD1 3.83Å; V205-L209 HydrophobicContact CG1-CD1 3.66Å; V205-L209 HydrophobicContact CG1-CG 4.3Å; V205-L209 VanDerWaalsContact O-CB 3.31Å; V205-L209 WeakPolarHBondContact O-CB 3.49Å; V205-L209 WeakPolarHBondContact O-CG 3.34Å; V205-L209 PolarHBondContact O-N 3.13Å; G206-L209 PolarHBondContact O-N 3.02Å; L209-E211 PolarHBondContact O-N 3.34Å; L209-R212 WeakPolarHBondContact O-CA 3.32Å; L209-R212 PolarHBondContact O-N 3.47Å; L209-V213 HydrophobicContact CB-CG2 3.78Å; L209-V213 WeakPolarHBondContact O-CG2 3.32Å; L209-V213 PolarHBondContact O-N 2.89Å |
| 210 | C | 87.1 | Confident | 81.5 | Confident | 17 Ų | 17 | 38.2 Ų | 38.2 | 12% | 0.115 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -49.7 | -52.6 | -160.4 | 59.6 | 0 | 0 | 0 | 0 | 114.3 | L196 G206 D207 R212 V213 L214 A250 | L196-C210 HydrophobicContact CD2-CB 3.52Å; G206-C210 WeakPolarHBondContact O-CA 3.49Å; G206-C210 WeakPolarHBondContact O-CB 3.32Å; G206-C210 PolarHBondContact O-N 3.43Å; D207-C210 PolarHBondContact O-SG 2.86Å; C210-R212 VanDerWaalsContact C-N 3.26Å; C210-R212 PolarHBondContact O-N 2.85Å; C210-V213 PolarHBondContact O-N 3.36Å; C210-L214 WeakPolarHBondContact O-CB 3.38Å; C210-L214 WeakPolarHBondContact O-CD1 3.39Å; C210-L214 VanDerWaalsContact O-CG 3.31Å; C210-L214 WeakPolarHBondContact O-CG 3.42Å; C210-L214 PolarHBondContact O-N 3.1Å; C210-L214 VanDerWaalsContact O-N 3.12Å; C210-A250 HydrophobicContact CB-CB 4.48Å |
| 211 | E | 87.3 | Confident | 83.1 | Confident | 94 Ų | 94 | 37.1 Ų | 37.1 | 44% | 0.439 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -54.5 | -42.1 | 178.1 | -171.6 | -172.7 | 178.8 | 0 | 0 | 112.1 | L209 S215 A250 Q254 | L209-E211 PolarHBondContact O-N 3.34Å; E211-S215 VanDerWaalsContact O-CB 3.3Å; E211-S215 WeakPolarHBondContact O-CB 3.31Å; E211-S215 PolarHBondContact O-N 2.82Å; E211-A250 HydrophobicContact CB-CB 4.12Å; E211-Q254 HydrophobicContact CG-CG 4.28Å; E211-Q254 PolarHBondContact OE1-NE2 3.35Å |
| 212 | R | 91.2 | Very high | 84.8 | Confident | 56 Ų | 56 | 31.6 Ų | 31.6 | 21% | 0.211 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -77.5 | -36.1 | -177 | -172.1 | 56.5 | 177.3 | 153.9 | 2.3 | 113.3 | L163 L209 C210 L214 S215 V216 E219 | L163-R212 HydrophobicContact CD1-CG 4.32Å; L209-R212 WeakPolarHBondContact O-CA 3.32Å; L209-R212 PolarHBondContact O-N 3.47Å; C210-R212 VanDerWaalsContact C-N 3.26Å; C210-R212 PolarHBondContact O-N 2.85Å; R212-L214 PolarHBondContact O-N 3.48Å; R212-S215 PolarHBondContact NH1-OG 3.12Å; R212-V216 HydrophobicContact CG-CG2 4.43Å; R212-V216 WeakPolarHBondContact O-CB 3.26Å; R212-V216 WeakPolarHBondContact O-CG2 3.36Å; R212-V216 PolarHBondContact O-N 2.95Å; R212-E219 IonicContact NH1-OE2 2.76Å |
| 213 | V | 92.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.5 | -33.2 | 175.8 | -137.3 | 0 | 0 | 0 | 0 | 110.9 | L163 I191 N192 L195 L209 C210 L217 | L163-V213 HydrophobicContact CD1-CG1 4.2Å; L163-V213 HydrophobicContact CD2-CG1 4.08Å; I191-V213 HydrophobicContact CD1-CG1 3.69Å; I191-V213 HydrophobicContact CG1-CG1 3.96Å; N192-V213 WeakPolarHBondContact ND2-CG1 3.41Å; N192-V213 PolarHBondContact ND2-O 3.09Å; N192-V213 WeakPolarHBondContact OD1-CB 3.4Å; L195-V213 HydrophobicContact CD1-CG2 3.97Å; L209-V213 HydrophobicContact CB-CG2 3.78Å; L209-V213 WeakPolarHBondContact O-CG2 3.32Å; L209-V213 PolarHBondContact O-N 2.89Å; C210-V213 PolarHBondContact O-N 3.36Å; V213-L217 WeakPolarHBondContact O-CB 3.49Å; V213-L217 PolarHBondContact O-N 3.27Å |
| 214 | L | 93.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -75 | -45.5 | 175.5 | -69.6 | 164.6 | 0 | 0 | 0 | 112.5 | L196 C210 R212 V216 L217 F218 W245 A250 L251 Q254 | L196-L214 HydrophobicContact CD1-CD1 4.03Å; L196-L214 HydrophobicContact CD1-CD2 3.82Å; L196-L214 HydrophobicContact CD1-CG 3.87Å; C210-L214 WeakPolarHBondContact O-CB 3.38Å; C210-L214 WeakPolarHBondContact O-CD1 3.39Å; C210-L214 VanDerWaalsContact O-CG 3.31Å; C210-L214 WeakPolarHBondContact O-CG 3.42Å; C210-L214 PolarHBondContact O-N 3.1Å; C210-L214 VanDerWaalsContact O-N 3.12Å; R212-L214 PolarHBondContact O-N 3.48Å; L214-V216 PolarHBondContact O-N 3.33Å; L214-L217 PolarHBondContact O-N 2.8Å; L214-F218 WeakPolarHBondContact O-CG 3.25Å; L214-F218 PolarHBondContact O-N 2.91Å; L214-W245 HydrophobicContact CD2-CE3 3.94Å; L214-W245 HydrophobicContact CD2-CZ3 4.1Å; L214-A250 HydrophobicContact CD1-CB 4.21Å; L214-L251 HydrophobicContact CD1-CB 4.15Å; L214-L251 HydrophobicContact CD2-CD1 3.78Å; L214-Q254 HydrophobicContact CB-CB 4.45Å; L214-Q254 HydrophobicContact CB-CG 4.33Å |
| 215 | S | 93.1 | Very high | 89 | Confident | 8 Ų | 8 | 18 Ų | 18 | 6% | 0.056 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -54 | -50.3 | 171.6 | 145.7 | 0 | 0 | 0 | 0 | 110.9 | E211 R212 F218 E219 | E211-S215 VanDerWaalsContact O-CB 3.3Å; E211-S215 WeakPolarHBondContact O-CB 3.31Å; E211-S215 PolarHBondContact O-N 2.82Å; R212-S215 PolarHBondContact NH1-OG 3.12Å; S215-F218 PolarHBondContact O-N 3.02Å; S215-E219 WeakPolarHBondContact CB-OE1 3.33Å; S215-E219 WeakPolarHBondContact O-CB 3.28Å; S215-E219 WeakPolarHBondContact O-CG 3.27Å; S215-E219 PolarHBondContact O-N 3.4Å; S215-E219 PolarHBondContact OG-OE1 3.44Å |
| 216 | V | 94.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.6 | -39 | -179.9 | 173.1 | 0 | 0 | 0 | 0 | 112.1 | L163 Q167 L188 R212 L214 V220 | L163-V216 HydrophobicContact CB-CG2 4.23Å; L163-V216 HydrophobicContact CD2-CB 4.3Å; L163-V216 HydrophobicContact CD2-CG1 4.07Å; Q167-V216 HydrophobicContact CB-CG1 4.24Å; L188-V216 HydrophobicContact CD2-CG1 4.03Å; R212-V216 HydrophobicContact CG-CG2 4.43Å; R212-V216 WeakPolarHBondContact O-CB 3.26Å; R212-V216 WeakPolarHBondContact O-CG2 3.36Å; R212-V216 PolarHBondContact O-N 2.95Å; L214-V216 PolarHBondContact O-N 3.33Å; V216-V220 HydrophobicContact CG1-CG2 4.12Å; V216-V220 VanDerWaalsContact O-CB 3.26Å; V216-V220 WeakPolarHBondContact O-CB 3.17Å; V216-V220 VanDerWaalsContact O-CG2 3.23Å; V216-V220 WeakPolarHBondContact O-CG2 3.08Å; V216-V220 PolarHBondContact O-N 3.12Å |
| 217 | L | 95.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.3 | -53.8 | 172.9 | 173.8 | 63.5 | 0 | 0 | 0 | 110.7 | L188 L189 V213 L214 W221 L238 W245 | L188-L217 HydrophobicContact CB-CD1 3.77Å; L189-L217 HydrophobicContact CD2-CD1 4.23Å; L189-L217 HydrophobicContact CD2-CD2 4.44Å; L189-L217 HydrophobicContact CG-CD1 4.38Å; V213-L217 WeakPolarHBondContact O-CB 3.49Å; V213-L217 PolarHBondContact O-N 3.27Å; L214-L217 PolarHBondContact O-N 2.8Å; L217-W221 HydrophobicContact CD1-CE3 3.97Å; L217-W221 HydrophobicContact CD1-CZ3 4.37Å; L217-W221 WeakPolarHBondContact O-CB 3.45Å; L217-W221 PolarHBondContact O-N 3.15Å; L217-L238 HydrophobicContact CD2-CD1 3.88Å; L217-L238 HydrophobicContact CG-CD1 4.47Å; L217-W245 HydrophobicContact CD2-CH2 4.09Å; L217-W245 HydrophobicContact CD2-CZ3 3.8Å |
| 218 | F | 95.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.5 | -43.3 | -176.8 | -63.9 | -18.4 | 0 | 0 | 0 | 113 | L214 S215 V220 W221 L222 L238 L251 Q254 V258 F304 M307 | L214-F218 WeakPolarHBondContact O-CG 3.25Å; L214-F218 PolarHBondContact O-N 2.91Å; S215-F218 PolarHBondContact O-N 3.02Å; F218-V220 PolarHBondContact O-N 2.67Å; F218-W221 PolarHBondContact O-N 3.08Å; F218-L222 VanDerWaalsContact O-CG 3.31Å; F218-L222 WeakPolarHBondContact O-CG 3.45Å; F218-L222 PolarHBondContact O-N 3.18Å; F218-L238 HydrophobicContact CE1-CD1 4.45Å; F218-L251 HydrophobicContact CZ-CD1 4.05Å; F218-Q254 HydrophobicContact CD2-CB 3.95Å; F218-Q254 HydrophobicContact CE2-CB 3.9Å; F218-V258 HydrophobicContact CB-CG2 3.88Å; F218-V258 HydrophobicContact CD2-CG2 3.85Å; F218-V258 HydrophobicContact CG-CG2 4.23Å; F218-F304 HydrophobicContact CB-CE1 4.16Å; F218-F304 HydrophobicContact CB-CZ 4.2Å; F218-F304 AromaticContact CD1-CE1 3.68Å; F218-F304 HydrophobicContact CD1-CE1 3.68Å; F218-F304 HydrophobicContact CD1-CZ 4.04Å; F218-F304 HydrophobicContact CD2-CE1 4.19Å; F218-F304 HydrophobicContact CE1-CE1 4.05Å; F218-F304 AromaticContact CG-CE1 3.76Å; F218-F304 HydrophobicContact CG-CE1 3.76Å; F218-F304 HydrophobicContact CG-CZ 4.2Å; F218-F304 HydrophobicContact CZ-CE1 4.45Å; F218-M307 HydrophobicContact CE1-CE 4.3Å; F218-M307 HydrophobicContact CE1-SD 3.61Å; F218-M307 HydrophobicContact CZ-SD 3.83Å |
| 219 | E | 93.6 | Very high | 92.1 | Very high | 34 Ų | 34 | 22 Ų | 22 | 16% | 0.159 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.2 | -38.8 | 179.2 | -71.6 | 161.6 | -143.5 | 0 | 0 | 111.7 | Q167 R212 S215 L223 R257 L287 | Q167-E219 PolarHBondContact NE2-OE2 3.16Å; R212-E219 IonicContact NH1-OE2 2.76Å; S215-E219 WeakPolarHBondContact CB-OE1 3.33Å; S215-E219 WeakPolarHBondContact O-CB 3.28Å; S215-E219 WeakPolarHBondContact O-CG 3.27Å; S215-E219 PolarHBondContact O-N 3.4Å; S215-E219 PolarHBondContact OG-OE1 3.44Å; E219-L223 PolarHBondContact O-N 3.4Å; E219-R257 IonicContact OE1-CZ 2.73Å; E219-R257 IonicContact OE1-NH1 3.38Å; E219-R257 PolarHBondContact OE1-NH1 2.91Å; E219-L287 HydrophobicContact CG-CD1 3.64Å; E219-L287 HydrophobicContact CG-CG 4.25Å |
| 220 | V | 94.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.018 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -72.8 | -33.9 | 173.2 | 176 | 0 | 0 | 0 | 0 | 111.5 | Q167 A170 W181 L184 L185 L188 V216 F218 L223 A224 | Q167-V220 HydrophobicContact CB-CG2 4.4Å; A170-V220 HydrophobicContact CB-CG1 4.19Å; A170-V220 HydrophobicContact CB-CG2 4.3Å; W181-V220 HydrophobicContact CZ3-CG1 4.18Å; L184-V220 HydrophobicContact CD2-CG1 3.79Å; L184-V220 HydrophobicContact CG-CG1 4.27Å; L185-V220 HydrophobicContact CD2-CG1 4.04Å; L188-V220 HydrophobicContact CD1-CB 3.84Å; L188-V220 HydrophobicContact CD1-CG1 3.79Å; L188-V220 HydrophobicContact CD1-CG2 4.19Å; V216-V220 HydrophobicContact CG1-CG2 4.12Å; V216-V220 VanDerWaalsContact O-CB 3.26Å; V216-V220 WeakPolarHBondContact O-CB 3.17Å; V216-V220 VanDerWaalsContact O-CG2 3.23Å; V216-V220 WeakPolarHBondContact O-CG2 3.08Å; V216-V220 PolarHBondContact O-N 3.12Å; F218-V220 PolarHBondContact O-N 2.67Å; V220-L223 PolarHBondContact O-N 3.32Å; V220-A224 WeakPolarHBondContact O-CB 3.37Å; V220-A224 PolarHBondContact O-N 3.02Å |
| 221 | W | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.7 | -42.5 | 176.5 | -158.7 | -77.5 | 0 | 0 | 0 | 112.5 | L185 L189 L217 F218 L223 A224 C225 P230 M234 W235 L238 | L185-W221 HydrophobicContact CB-CE3 4.39Å; L185-W221 HydrophobicContact CB-CZ3 4.11Å; L185-W221 HydrophobicContact CD1-CE3 4.32Å; L185-W221 HydrophobicContact CD1-CZ3 4.44Å; L185-W221 HydrophobicContact CD2-CD2 4.33Å; L185-W221 HydrophobicContact CD2-CE3 3.76Å; L185-W221 HydrophobicContact CD2-CZ3 4.35Å; L185-W221 HydrophobicContact CG-CE3 4.38Å; L189-W221 HydrophobicContact CD1-CH2 4.11Å; L189-W221 HydrophobicContact CD1-CZ3 3.9Å; L189-W221 HydrophobicContact CD2-CZ3 4.13Å; L189-W221 HydrophobicContact CG-CZ3 4Å; L217-W221 HydrophobicContact CD1-CE3 3.97Å; L217-W221 HydrophobicContact CD1-CZ3 4.37Å; L217-W221 WeakPolarHBondContact O-CB 3.45Å; L217-W221 PolarHBondContact O-N 3.15Å; F218-W221 PolarHBondContact O-N 3.08Å; W221-L223 VanDerWaalsContact C-N 3.31Å; W221-L223 PolarHBondContact O-N 2.96Å; W221-A224 WeakPolarHBondContact O-CB 3.46Å; W221-A224 PolarHBondContact O-N 2.86Å; W221-C225 PolarHBondContact O-N 2.9Å; W221-C225 PolarHBondContact O-SG 2.89Å; W221-P230 HydrophobicContact CZ2-CB 3.98Å; W221-P230 HydrophobicContact CZ2-CG 4.32Å; W221-M234 HydrophobicContact CH2-CB 3.92Å; W221-M234 WeakPolarHBondContact CH2-O 3.37Å; W221-M234 HydrophobicContact CZ2-CB 4.19Å; W221-W235 AromaticContact CD1-CH2 3.57Å; W221-W235 AromaticContact CD1-CZ2 3.85Å; W221-W235 AromaticContact CD1-CZ3 4Å; W221-W235 HydrophobicContact CZ2-CD2 4.24Å; W221-W235 HydrophobicContact CZ2-CE3 4.27Å; W221-W235 AromaticContact NE1-CD2 3.73Å; W221-W235 AromaticContact NE1-CE2 3.53Å; W221-W235 AromaticContact NE1-CE3 3.63Å; W221-W235 AromaticContact NE1-CH2 3.21Å; W221-W235 AromaticContact NE1-CZ2 3.3Å; W221-W235 VanDerWaalsContact NE1-CZ2 3.3Å; W221-W235 AromaticContact NE1-CZ3 3.37Å; W221-L238 HydrophobicContact CD2-CD2 3.63Å; W221-L238 VanDerWaalsContact CE2-CD2 3.48Å; W221-L238 HydrophobicContact CE3-CD2 3.84Å; W221-L238 HydrophobicContact CG-CD2 4.25Å; W221-L238 HydrophobicContact CH2-CB 3.73Å; W221-L238 HydrophobicContact CH2-CD2 3.86Å; W221-L238 HydrophobicContact CH2-CG 4.37Å; W221-L238 HydrophobicContact CZ2-CB 4Å; W221-L238 HydrophobicContact CZ2-CD2 3.62Å; W221-L238 HydrophobicContact CZ2-CG 4.47Å; W221-L238 HydrophobicContact CZ3-CB 4.23Å; W221-L238 HydrophobicContact CZ3-CD2 3.96Å |
| 222 | L | 93.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.4 | -41.5 | 173.7 | -70.5 | 169.6 | 0 | 0 | 0 | 111.2 | F218 C225 V258 L262 L287 T300 F304 | F218-L222 VanDerWaalsContact O-CG 3.31Å; F218-L222 WeakPolarHBondContact O-CG 3.45Å; F218-L222 PolarHBondContact O-N 3.18Å; L222-C225 WeakPolarHBondContact O-CB 3.21Å; L222-C225 PolarHBondContact O-N 2.86Å; L222-V258 HydrophobicContact CD1-CG1 4.08Å; L222-V258 HydrophobicContact CD1-CG2 4.45Å; L222-V258 HydrophobicContact CD2-CG1 4.32Å; L222-L262 HydrophobicContact CD2-CD1 4.19Å; L222-L262 HydrophobicContact CD2-CD2 4.21Å; L222-L262 HydrophobicContact CD2-CG 4.49Å; L222-L287 HydrophobicContact CD1-CD2 4.04Å; L222-L287 HydrophobicContact CD1-CG 4.16Å; L222-T300 HydrophobicContact CD2-CG2 3.79Å; L222-F304 HydrophobicContact CD2-CD2 4.39Å; L222-F304 HydrophobicContact CD2-CE2 3.85Å; L222-F304 HydrophobicContact CD2-CZ 4.4Å; L222-F304 HydrophobicContact CG-CE2 4.34Å; L222-F304 HydrophobicContact CG-CZ 4.46Å |
| 223 | L | 92.5 | Very high | 92.7 | Very high | 18 Ų | 18 | 18 Ų | 18 | 9% | 0.094 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67 | -39.8 | 175.5 | -171 | 65.7 | 0 | 0 | 0 | 112.8 | A170 Q171 W181 E219 V220 W221 C225 V226 R227 P289 | A170-L223 VanDerWaalsContact C-CD2 3.44Å; A170-L223 HydrophobicContact CB-CD2 4.19Å; A170-L223 VanDerWaalsContact O-CD2 3.28Å; A170-L223 WeakPolarHBondContact O-CD2 3.44Å; Q171-L223 HydrophobicContact CB-CD2 4.42Å; Q171-L223 HydrophobicContact CG-CD2 4.08Å; W181-L223 HydrophobicContact CH2-CD2 4Å; W181-L223 HydrophobicContact CH2-CG 4.05Å; E219-L223 PolarHBondContact O-N 3.4Å; V220-L223 PolarHBondContact O-N 3.32Å; W221-L223 VanDerWaalsContact C-N 3.31Å; W221-L223 PolarHBondContact O-N 2.96Å; L223-C225 VanDerWaalsContact C-N 3.28Å; L223-C225 PolarHBondContact O-N 2.86Å; L223-V226 PolarHBondContact O-N 3.47Å; L223-V226 VanDerWaalsContact O-N 3.09Å; L223-R227 PolarHBondContact O-N 3.35Å; L223-R227 VanDerWaalsContact O-N 3.1Å; L223-P289 HydrophobicContact CB-CG 4.45Å; L223-P289 HydrophobicContact CD1-CB 4.1Å; L223-P289 HydrophobicContact CD1-CG 3.85Å |
| 224 | A | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.1 | -35.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | W181 L185 V220 W221 V226 R227 S228 F229 P230 | W181-A224 HydrophobicContact CE3-CB 3.63Å; W181-A224 HydrophobicContact CZ3-CB 3.82Å; L185-A224 HydrophobicContact CD1-CB 3.83Å; L185-A224 HydrophobicContact CD2-CB 4.34Å; V220-A224 WeakPolarHBondContact O-CB 3.37Å; V220-A224 PolarHBondContact O-N 3.02Å; W221-A224 WeakPolarHBondContact O-CB 3.46Å; W221-A224 PolarHBondContact O-N 2.86Å; A224-V226 PolarHBondContact O-N 2.91Å; A224-V226 VanDerWaalsContact O-N 3.11Å; A224-R227 PolarHBondContact O-N 2.96Å; A224-S228 CarbonylContact O-C 3.56Å; A224-S228 WeakPolarHBondContact O-CA 3.35Å; A224-S228 PolarHBondContact O-N 3.45Å; A224-F229 PolarHBondContact O-N 3.18Å; A224-P230 HydrophobicContact CB-CG 4.33Å |
| 225 | C | 93.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 3% | 0.034 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.9 | -22 | 174.6 | -64.7 | 0 | 0 | 0 | 0 | 113.3 | W221 L222 L223 F229 M292 C296 | W221-C225 PolarHBondContact O-N 2.9Å; W221-C225 PolarHBondContact O-SG 2.89Å; L222-C225 WeakPolarHBondContact O-CB 3.21Å; L222-C225 PolarHBondContact O-N 2.86Å; L223-C225 VanDerWaalsContact C-N 3.28Å; L223-C225 PolarHBondContact O-N 2.86Å; C225-F229 HydrophobicContact CB-CD2 4.04Å; C225-F229 HydrophobicContact CB-CE2 4.03Å; C225-F229 WeakPolarHBondContact O-CD2 3.41Å; C225-M292 HydrophobicContact CB-CE 3.56Å; C225-C296 PolarHBondContact O-SG 3.36Å |
| 226 | V | 90.6 | Very high | 92.4 | Very high | 53 Ų | 53 | 22 Ų | 22 | 32% | 0.321 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -92.7 | -40.3 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | L223 A224 P289 M292 | L223-V226 PolarHBondContact O-N 3.47Å; L223-V226 VanDerWaalsContact O-N 3.09Å; A224-V226 PolarHBondContact O-N 2.91Å; A224-V226 VanDerWaalsContact O-N 3.11Å; V226-P289 HydrophobicContact CG2-CB 3.99Å; V226-P289 HydrophobicContact CG2-CG 3.92Å; V226-M292 HydrophobicContact CG2-CB 3.58Å; V226-M292 HydrophobicContact CG2-CG 3.73Å; V226-M292 HydrophobicContact CG2-SD 4.28Å |
| 227 | R | 90 | Very high | 92.3 | Very high | 98 Ų | 98 | 22 Ų | 22 | 37% | 0.37 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -93.7 | -29.1 | -172 | -64.3 | -172.7 | -177.3 | 168 | 12.8 | 115.2 | A170 Q171 S173 W181 L223 A224 | A170-R227 PolarHBondContact O-NH1 2.73Å; Q171-R227 PolarHBondContact O-NH1 3.34Å; Q171-R227 PolarHBondContact O-NH2 2.89Å; S173-R227 PolarHBondContact O-NH1 2.84Å; W181-R227 HydrophobicContact CZ2-CB 3.86Å; W181-R227 HydrophobicContact CZ2-CG 4.37Å; L223-R227 PolarHBondContact O-N 3.35Å; L223-R227 VanDerWaalsContact O-N 3.1Å; A224-R227 PolarHBondContact O-N 2.96Å |
| 228 | S | 90.7 | Very high | 92.2 | Very high | 15 Ų | 15 | 22 Ų | 22 | 11% | 0.105 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -161.1 | 86.7 | 176.1 | 174.8 | 0 | 0 | 0 | 0 | 109.9 | R178 A224 | R178-S228 PolarHBondContact NH1-OG 3.05Å; A224-S228 CarbonylContact O-C 3.56Å; A224-S228 WeakPolarHBondContact O-CA 3.35Å; A224-S228 PolarHBondContact O-N 3.45Å |
| 229 | F | 91.3 | Very high | 92 | Very high | 58 Ų | 58 | 26 Ų | 26 | 25% | 0.254 | 13% | 0.129 | S | C | . | . | P | Polyproline II helix | trans | -52.9 | 125.9 | -168.7 | -165.5 | -83.9 | 0 | 0 | 0 | 112.5 | R178 A224 C225 W235 Q299 | R178-F229 PolarHBondContact NH1-O 3.35Å; R178-F229 VanDerWaalsContact NH1-O 3.13Å; R178-F229 PolarHBondContact NH2-O 3.11Å; A224-F229 PolarHBondContact O-N 3.18Å; C225-F229 HydrophobicContact CB-CD2 4.04Å; C225-F229 HydrophobicContact CB-CE2 4.03Å; C225-F229 WeakPolarHBondContact O-CD2 3.41Å; F229-W235 AromaticContact CE1-CD1 3.97Å; F229-W235 AromaticContact CE1-NE1 3.25Å; F229-W235 HydrophobicContact CZ-CZ2 4.13Å; F229-W235 AromaticContact CZ-NE1 3.41Å; F229-Q299 HydrophobicContact CZ-CG 4.07Å |
| 230 | P | 92.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.013 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -57.6 | 140.5 | -178.4 | -29.9 | 36.9 | 0 | 0 | 0 | 113.9 | L185 W221 A224 M234 | L185-P230 HydrophobicContact CD1-CG 4.06Å; W221-P230 HydrophobicContact CZ2-CB 3.98Å; W221-P230 HydrophobicContact CZ2-CG 4.32Å; A224-P230 HydrophobicContact CB-CG 4.33Å; P230-M234 HydrophobicContact CB-CB 4.34Å; P230-M234 HydrophobicContact CB-CE 3.94Å |
| 231 | S | 91.1 | Very high | 91.5 | Very high | 26 Ų | 26 | 27.7 Ų | 27.7 | 18% | 0.182 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 160.7 | 179.2 | 64.2 | 0 | 0 | 0 | 0 | 112.5 | S233 M234 W235 | S231-S233 PolarHBondContact O-N 2.97Å; S231-S233 PolarHBondContact OG-OG 3.37Å; S231-M234 PolarHBondContact O-N 3.32Å; S231-M234 VanDerWaalsContact O-N 3.17Å; S231-M234 PolarHBondContact OG-N 2.91Å; S231-W235 PolarHBondContact O-N 3.06Å |
| 232 | P | 88.9 | Confident | 91.3 | Very high | 38 Ų | 38 | 27.7 Ų | 27.7 | 25% | 0.247 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.8 | -36.1 | 171.7 | -22.6 | 33.5 | 0 | 0 | 0 | 112.5 | W5 K236 | W5-P232 HydrophobicContact CD2-CB 4.03Å; W5-P232 HydrophobicContact CE3-CB 4.42Å; W5-P232 HydrophobicContact CG-CB 4.32Å; W5-P232 HydrophobicContact CZ2-CB 4.44Å; P232-K236 WeakPolarHBondContact O-CB 3.31Å; P232-K236 PolarHBondContact O-N 3.22Å |
| 233 | S | 90.3 | Very high | 91 | Very high | 17 Ų | 17 | 28.9 Ų | 28.9 | 12% | 0.119 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 174.1 | 54 | 0 | 0 | 0 | 0 | 113.1 | E4 A6 S231 K236 T237 | E4-S233 WeakPolarHBondContact O-CB 3.47Å; E4-S233 PolarHBondContact O-N 3Å; A6-S233 WeakPolarHBondContact O-CA 3.23Å; A6-S233 WeakPolarHBondContact O-CB 3.26Å; S231-S233 PolarHBondContact O-N 2.97Å; S231-S233 PolarHBondContact OG-OG 3.37Å; S233-K236 PolarHBondContact O-N 3.08Å; S233-T237 WeakPolarHBondContact O-CB 3.37Å; S233-T237 PolarHBondContact O-N 2.67Å; S233-T237 PolarHBondContact O-OG1 3.06Å |
| 234 | M | 91.2 | Very high | 90.6 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.7 | -43.9 | 175.8 | -76.6 | -153.7 | -64.4 | 0 | 0 | 111.9 | L8 D182 L185 W221 P230 S231 K236 T237 L238 | L8-M234 HydrophobicContact CD1-CG 3.86Å; D182-M234 HydrophobicContact CB-CE 4.43Å; D182-M234 HydrophobicContact CB-SD 4.49Å; D182-M234 WeakPolarHBondContact OD1-CE 3.45Å; L185-M234 HydrophobicContact CB-SD 4Å; L185-M234 HydrophobicContact CD1-CE 3.75Å; L185-M234 HydrophobicContact CD1-SD 4.23Å; W221-M234 HydrophobicContact CH2-CB 3.92Å; W221-M234 WeakPolarHBondContact CH2-O 3.37Å; W221-M234 HydrophobicContact CZ2-CB 4.19Å; P230-M234 HydrophobicContact CB-CB 4.34Å; P230-M234 HydrophobicContact CB-CE 3.94Å; S231-M234 PolarHBondContact O-N 3.32Å; S231-M234 VanDerWaalsContact O-N 3.17Å; S231-M234 PolarHBondContact OG-N 2.91Å; M234-K236 VanDerWaalsContact C-N 3.33Å; M234-K236 PolarHBondContact O-N 3.27Å; M234-T237 PolarHBondContact O-N 3.18Å; M234-L238 PolarHBondContact O-N 3.37Å |
| 235 | W | 92.3 | Very high | 90.4 | Very high | 13 Ų | 13 | 31 Ų | 31 | 5% | 0.049 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.5 | -42.3 | 174.9 | -85.2 | 112.7 | 0 | 0 | 0 | 113.1 | W221 F229 S231 L238 Q239 T300 R303 F304 M307 | W221-W235 AromaticContact CD1-CH2 3.57Å; W221-W235 AromaticContact CD1-CZ2 3.85Å; W221-W235 AromaticContact CD1-CZ3 4Å; W221-W235 HydrophobicContact CZ2-CD2 4.24Å; W221-W235 HydrophobicContact CZ2-CE3 4.27Å; W221-W235 AromaticContact NE1-CD2 3.73Å; W221-W235 AromaticContact NE1-CE2 3.53Å; W221-W235 AromaticContact NE1-CE3 3.63Å; W221-W235 AromaticContact NE1-CH2 3.21Å; W221-W235 AromaticContact NE1-CZ2 3.3Å; W221-W235 VanDerWaalsContact NE1-CZ2 3.3Å; W221-W235 AromaticContact NE1-CZ3 3.37Å; F229-W235 AromaticContact CE1-CD1 3.97Å; F229-W235 AromaticContact CE1-NE1 3.25Å; F229-W235 HydrophobicContact CZ-CZ2 4.13Å; F229-W235 AromaticContact CZ-NE1 3.41Å; S231-W235 PolarHBondContact O-N 3.06Å; W235-L238 HydrophobicContact CE3-CD2 4.38Å; W235-L238 HydrophobicContact CZ3-CD2 4.3Å; W235-Q239 PolarHBondContact O-N 3.43Å; W235-Q239 VanDerWaalsContact O-N 3.08Å; W235-T300 HydrophobicContact CH2-CG2 4.13Å; W235-T300 HydrophobicContact CZ2-CG2 4.43Å; W235-R303 HydrophobicContact CD2-CB 4.19Å; W235-R303 HydrophobicContact CD2-CG 4.41Å; W235-R303 VanDerWaalsContact CE2-CD 3.48Å; W235-R303 HydrophobicContact CE3-CB 3.81Å; W235-R303 HydrophobicContact CE3-CG 4.48Å; W235-R303 HydrophobicContact CH2-CB 3.9Å; W235-R303 HydrophobicContact CZ2-CB 4.27Å; W235-R303 HydrophobicContact CZ3-CB 3.66Å; W235-F304 AromaticContact CH2-CD2 3.84Å; W235-F304 HydrophobicContact CH2-CD2 3.84Å; W235-F304 AromaticContact CH2-CE2 3.81Å; W235-F304 HydrophobicContact CH2-CE2 3.81Å; W235-F304 HydrophobicContact CZ3-CD2 4.11Å; W235-F304 HydrophobicContact CZ3-CE2 4.16Å; W235-M307 HydrophobicContact CZ3-CE 4.11Å |
| 236 | K | 90.2 | Very high | 90.2 | Very high | 77 Ų | 77 | 32.2 Ų | 32.2 | 34% | 0.335 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -65.6 | -40.6 | 175.2 | 177.8 | 174.9 | 174 | 174.9 | 0 | 112.2 | W5 P232 S233 M234 Q239 E240 | W5-K236 WeakPolarHBondContact O-CD 3.26Å; W5-K236 PolarHBondContact O-NZ 2.9Å; P232-K236 WeakPolarHBondContact O-CB 3.31Å; P232-K236 PolarHBondContact O-N 3.22Å; S233-K236 PolarHBondContact O-N 3.08Å; M234-K236 VanDerWaalsContact C-N 3.33Å; M234-K236 PolarHBondContact O-N 3.27Å; K236-Q239 PolarHBondContact O-N 2.91Å; K236-E240 WeakPolarHBondContact CE-OE1 3.27Å; K236-E240 WeakPolarHBondContact O-CG 3.39Å; K236-E240 PolarHBondContact O-N 3.47Å |
| 237 | T | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63 | -44.8 | 178 | -51.1 | 0 | 0 | 0 | 0 | 110.8 | L8 I12 L189 S233 M234 Q239 E240 S241 | L8-T237 HydrophobicContact CB-CG2 4.15Å; L8-T237 WeakPolarHBondContact CB-OG1 3.36Å; L8-T237 PolarHBondContact N-OG1 3.01Å; I12-T237 HydrophobicContact CD1-CG2 3.48Å; I12-T237 VanDerWaalsContact CD1-CG2 3.48Å; I12-T237 HydrophobicContact CG1-CG2 4.45Å; L189-T237 HydrophobicContact CD1-CG2 4.15Å; S233-T237 WeakPolarHBondContact O-CB 3.37Å; S233-T237 PolarHBondContact O-N 2.67Å; S233-T237 PolarHBondContact O-OG1 3.06Å; M234-T237 PolarHBondContact O-N 3.18Å; T237-Q239 VanDerWaalsContact C-N 3.35Å; T237-Q239 PolarHBondContact O-N 3.24Å; T237-E240 PolarHBondContact O-N 3.32Å; T237-S241 WeakPolarHBondContact O-CB 3.48Å; T237-S241 PolarHBondContact O-N 3.41Å |
| 238 | L | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.9 | -42.4 | 173.6 | 177.9 | 59.4 | 0 | 0 | 0 | 112.2 | L189 L217 F218 W221 M234 W235 S241 C242 M307 | L189-L238 HydrophobicContact CD2-CB 3.99Å; L189-L238 HydrophobicContact CD2-CD1 3.58Å; L189-L238 HydrophobicContact CD2-CG 4.37Å; L217-L238 HydrophobicContact CD2-CD1 3.88Å; L217-L238 HydrophobicContact CG-CD1 4.47Å; F218-L238 HydrophobicContact CE1-CD1 4.45Å; W221-L238 HydrophobicContact CD2-CD2 3.63Å; W221-L238 VanDerWaalsContact CE2-CD2 3.48Å; W221-L238 HydrophobicContact CE3-CD2 3.84Å; W221-L238 HydrophobicContact CG-CD2 4.25Å; W221-L238 HydrophobicContact CH2-CB 3.73Å; W221-L238 HydrophobicContact CH2-CD2 3.86Å; W221-L238 HydrophobicContact CH2-CG 4.37Å; W221-L238 HydrophobicContact CZ2-CB 4Å; W221-L238 HydrophobicContact CZ2-CD2 3.62Å; W221-L238 HydrophobicContact CZ2-CG 4.47Å; W221-L238 HydrophobicContact CZ3-CB 4.23Å; W221-L238 HydrophobicContact CZ3-CD2 3.96Å; M234-L238 PolarHBondContact O-N 3.37Å; W235-L238 HydrophobicContact CE3-CD2 4.38Å; W235-L238 HydrophobicContact CZ3-CD2 4.3Å; L238-S241 PolarHBondContact O-N 2.89Å; L238-C242 VanDerWaalsContact CD1-SG 3.58Å; L238-C242 WeakPolarHBondContact O-CB 3.29Å; L238-C242 PolarHBondContact O-N 3.5Å; L238-C242 PolarHBondContact O-SG 2.93Å; L238-C242 VanDerWaalsContact O-SG 3.32Å; L238-M307 HydrophobicContact CD1-SD 4.32Å; L238-M307 HydrophobicContact CD2-CE 3.35Å; L238-M307 HydrophobicContact CD2-SD 4.16Å; L238-M307 HydrophobicContact CG-CE 3.82Å; L238-M307 HydrophobicContact CG-CG 4.49Å; L238-M307 HydrophobicContact CG-SD 4.03Å |
| 239 | Q | 91.7 | Very high | 89.7 | Confident | 85 Ų | 85 | 27 Ų | 27 | 40% | 0.397 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -63.3 | -42 | 176.2 | -171.2 | 179 | 39.5 | 0 | 0 | 112.3 | W235 K236 T237 A243 R306 | W235-Q239 PolarHBondContact O-N 3.43Å; W235-Q239 VanDerWaalsContact O-N 3.08Å; K236-Q239 PolarHBondContact O-N 2.91Å; T237-Q239 VanDerWaalsContact C-N 3.35Å; T237-Q239 PolarHBondContact O-N 3.24Å; Q239-A243 VanDerWaalsContact O-CB 3.27Å; Q239-A243 WeakPolarHBondContact O-CB 3.4Å; Q239-A243 PolarHBondContact O-N 2.83Å; Q239-R306 PolarHBondContact NE2-O 3.24Å |
| 240 | E | 88.9 | Confident | 89.7 | Confident | 69 Ų | 69 | 24.6 Ų | 24.6 | 32% | 0.322 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -64.5 | -47.3 | 175.8 | -74.3 | 174 | -165.7 | 0 | 0 | 111.7 | S7 S9 K236 T237 A243 M244 | S7-E240 WeakPolarHBondContact CB-OE1 3.21Å; S7-E240 WeakPolarHBondContact CB-OE2 3.48Å; S7-E240 VanDerWaalsContact OG-CD 3.25Å; S7-E240 PolarHBondContact OG-OE1 2.85Å; S7-E240 PolarHBondContact OG-OE2 3.29Å; S9-E240 PolarHBondContact OG-OE2 3.02Å; K236-E240 WeakPolarHBondContact CE-OE1 3.27Å; K236-E240 WeakPolarHBondContact O-CG 3.39Å; K236-E240 PolarHBondContact O-N 3.47Å; T237-E240 PolarHBondContact O-N 3.32Å; E240-A243 WeakPolarHBondContact O-CB 3.42Å; E240-A243 PolarHBondContact O-N 3.45Å; E240-M244 WeakPolarHBondContact O-CG 3.13Å; E240-M244 PolarHBondContact O-N 3.28Å |
| 241 | S | 89.4 | Confident | 89.7 | Confident | 5 Ų | 5 | 24.5 Ų | 24.5 | 4% | 0.035 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.8 | -50.1 | 176.7 | -92.5 | 0 | 0 | 0 | 0 | 112.8 | E193 T237 L238 A243 M244 W245 | E193-S241 PolarHBondContact OE2-OG 2.88Å; E193-S241 VanDerWaalsContact OE2-OG 3.08Å; T237-S241 WeakPolarHBondContact O-CB 3.48Å; T237-S241 PolarHBondContact O-N 3.41Å; L238-S241 PolarHBondContact O-N 2.89Å; S241-A243 PolarHBondContact O-N 3.45Å; S241-M244 WeakPolarHBondContact O-CA 3.13Å; S241-M244 WeakPolarHBondContact O-CB 3.32Å; S241-M244 PolarHBondContact O-N 3.01Å; S241-W245 VanDerWaalsContact O-CG 3.32Å; S241-W245 PolarHBondContact O-N 3.14Å; S241-W245 VanDerWaalsContact O-N 3.11Å |
| 242 | C | 91.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.5 | -32.4 | 175.7 | -69 | 0 | 0 | 0 | 0 | 112.2 | L238 M244 W245 R246 L251 M307 | L238-C242 VanDerWaalsContact CD1-SG 3.58Å; L238-C242 WeakPolarHBondContact O-CB 3.29Å; L238-C242 PolarHBondContact O-N 3.5Å; L238-C242 PolarHBondContact O-SG 2.93Å; L238-C242 VanDerWaalsContact O-SG 3.32Å; C242-M244 PolarHBondContact O-N 2.86Å; C242-W245 PolarHBondContact O-N 3.22Å; C242-R246 PolarHBondContact O-N 3.17Å; C242-L251 HydrophobicContact CB-CD1 4.19Å; C242-L251 HydrophobicContact CB-CD2 4.34Å; C242-L251 VanDerWaalsContact O-CD2 3.26Å; C242-L251 WeakPolarHBondContact O-CD2 3.24Å; C242-M307 HydrophobicContact CB-CG 3.87Å; C242-M307 HydrophobicContact CB-SD 4.39Å; C242-M307 VanDerWaalsContact SG-SD 3.62Å |
| 243 | A | 86.6 | Confident | 90 | Very high | 25 Ų | 25 | 24.3 Ų | 24.3 | 21% | 0.207 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.6 | -19.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q239 E240 S241 R246 | Q239-A243 VanDerWaalsContact O-CB 3.27Å; Q239-A243 WeakPolarHBondContact O-CB 3.4Å; Q239-A243 PolarHBondContact O-N 2.83Å; E240-A243 WeakPolarHBondContact O-CB 3.42Å; E240-A243 PolarHBondContact O-N 3.45Å; S241-A243 PolarHBondContact O-N 3.45Å; A243-R246 VanDerWaalsContact O-CZ 3.23Å; A243-R246 PolarHBondContact O-NE 2.8Å; A243-R246 PolarHBondContact O-NH2 2.98Å |
| 244 | M | 84.8 | Confident | 90.1 | Very high | 62 Ų | 62 | 24 Ų | 24 | 31% | 0.305 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -87.3 | -39 | 173.2 | -61 | -75.6 | -91.8 | 0 | 0 | 111.7 | E240 S241 C242 R246 H247 | E240-M244 WeakPolarHBondContact O-CG 3.13Å; E240-M244 PolarHBondContact O-N 3.28Å; S241-M244 WeakPolarHBondContact O-CA 3.13Å; S241-M244 WeakPolarHBondContact O-CB 3.32Å; S241-M244 PolarHBondContact O-N 3.01Å; C242-M244 PolarHBondContact O-N 2.86Å; M244-R246 PolarHBondContact O-N 3.33Å; M244-H247 PolarHBondContact O-ND1 2.94Å |
| 245 | W | 88.7 | Confident | 90.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -77.7 | -0.1 | -177.9 | -45 | -27 | 0 | 0 | 0 | 114.3 | L189 N192 E193 L196 L214 L217 S241 C242 H247 R248 L251 | L189-W245 HydrophobicContact CD2-CH2 4.35Å; N192-W245 HydrophobicContact CB-CE3 4.39Å; N192-W245 HydrophobicContact CB-CH2 3.22Å; N192-W245 HydrophobicContact CB-CZ2 3.45Å; N192-W245 VanDerWaalsContact CB-CZ2 3.45Å; N192-W245 HydrophobicContact CB-CZ3 3.74Å; E193-W245 HydrophobicContact CB-CZ2 4.29Å; E193-W245 WeakPolarHBondContact OE2-CZ2 3.2Å; E193-W245 PolarHBondContact OE2-NE1 2.87Å; L196-W245 HydrophobicContact CB-CB 4.11Å; L196-W245 HydrophobicContact CB-CD2 4.15Å; L196-W245 HydrophobicContact CB-CG 3.7Å; L196-W245 HydrophobicContact CD1-CB 4.4Å; L196-W245 HydrophobicContact CD1-CD2 3.94Å; L196-W245 HydrophobicContact CD1-CE3 3.96Å; L196-W245 HydrophobicContact CD1-CG 4.14Å; L214-W245 HydrophobicContact CD2-CE3 3.94Å; L214-W245 HydrophobicContact CD2-CZ3 4.1Å; L217-W245 HydrophobicContact CD2-CH2 4.09Å; L217-W245 HydrophobicContact CD2-CZ3 3.8Å; S241-W245 VanDerWaalsContact O-CG 3.32Å; S241-W245 PolarHBondContact O-N 3.14Å; S241-W245 VanDerWaalsContact O-N 3.11Å; C242-W245 PolarHBondContact O-N 3.22Å; W245-H247 PolarHBondContact O-N 3.38Å; W245-R248 PolarHBondContact O-N 3.11Å; W245-L251 HydrophobicContact CB-CD2 4.18Å; W245-L251 HydrophobicContact CE3-CD1 4.41Å |
| 246 | R | 88.8 | Confident | 90.3 | Very high | 31 Ų | 31 | 24.7 Ų | 24.7 | 12% | 0.117 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -7.6 | 178.1 | -88.7 | -175.6 | -61.7 | -168.7 | 3.8 | 117.1 | C242 A243 M244 L251 I308 L314 I320 | C242-R246 PolarHBondContact O-N 3.17Å; A243-R246 VanDerWaalsContact O-CZ 3.23Å; A243-R246 PolarHBondContact O-NE 2.8Å; A243-R246 PolarHBondContact O-NH2 2.98Å; M244-R246 PolarHBondContact O-N 3.33Å; R246-L251 HydrophobicContact CG-CD2 4.25Å; R246-I308 WeakPolarHBondContact CD-O 3.33Å; R246-I308 PolarHBondContact NH1-O 3.28Å; R246-L314 HydrophobicContact CB-CD2 3.94Å; R246-L314 HydrophobicContact CG-CD2 4.23Å; R246-L314 WeakPolarHBondContact O-CD2 3.38Å; R246-I320 HydrophobicContact CB-CD1 4.19Å |
| 247 | H | 86 | Confident | 90.3 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.009 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -0.7 | 174.3 | 68.2 | -92.8 | 0 | 0 | 0 | 113.5 | L196 M244 W245 I320 F326 L345 I351 | L196-H247 PolarHBondContact O-CE1 2.83Å; L196-H247 PolarHBondContact O-NE2 3.06Å; M244-H247 PolarHBondContact O-ND1 2.94Å; W245-H247 PolarHBondContact O-N 3.38Å; H247-I320 HydrophobicContact CB-CG2 4.07Å; H247-F326 HydrophobicContact CB-CZ 4.41Å; H247-L345 HydrophobicContact CB-CD2 4.26Å; H247-I351 WeakPolarHBondContact O-CD1 3.37Å |
| 248 | R | 86.8 | Confident | 90.4 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 4% | 0.038 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -106.2 | 127.8 | 174.5 | -56.3 | -68.1 | 174 | 165.7 | -0.8 | 109.9 | P198 T200 D207 W245 A250 L251 | P198-R248 PolarHBondContact O-NH2 2.78Å; T200-R248 PolarHBondContact OG1-NH1 3.41Å; T200-R248 PolarHBondContact OG1-NH2 2.99Å; D207-R248 IonicContact OD1-CZ 2.77Å; D207-R248 IonicContact OD1-NH1 3.76Å; D207-R248 PolarHBondContact OD1-NH1 2.9Å; W245-R248 PolarHBondContact O-N 3.11Å; R248-A250 VanDerWaalsContact C-N 3.35Å; R248-A250 PolarHBondContact O-N 3.31Å; R248-L251 PolarHBondContact O-N 3.22Å |
| 249 | V | 88.6 | Confident | 90.4 | Very high | 44 Ų | 44 | 23.8 Ų | 23.8 | 27% | 0.267 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -63.4 | -38.6 | -179 | 72.9 | 0 | 0 | 0 | 0 | 112.8 | L251 V252 D253 I351 | V249-L251 PolarHBondContact O-N 3.06Å; V249-V252 PolarHBondContact O-N 2.81Å; V249-D253 PolarHBondContact O-N 2.77Å; V249-D253 VanDerWaalsContact O-N 3.11Å; V249-I351 HydrophobicContact CB-CG1 3.93Å; V249-I351 HydrophobicContact CG2-CG1 4.1Å |
| 250 | A | 90.4 | Very high | 90.3 | Very high | 9 Ų | 9 | 20.9 Ų | 20.9 | 7% | 0.074 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.1 | -24.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | C210 E211 L214 R248 Q254 | C210-A250 HydrophobicContact CB-CB 4.48Å; E211-A250 HydrophobicContact CB-CB 4.12Å; L214-A250 HydrophobicContact CD1-CB 4.21Å; R248-A250 VanDerWaalsContact C-N 3.35Å; R248-A250 PolarHBondContact O-N 3.31Å; A250-Q254 WeakPolarHBondContact O-CB 3.37Å; A250-Q254 WeakPolarHBondContact O-CG 3.29Å; A250-Q254 PolarHBondContact O-N 2.71Å |
| 251 | L | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.1 | -47.3 | 171.4 | 176.7 | 69.6 | 0 | 0 | 0 | 111.1 | L214 F218 C242 W245 R246 R248 V249 W255 I308 | L214-L251 HydrophobicContact CD1-CB 4.15Å; L214-L251 HydrophobicContact CD2-CD1 3.78Å; F218-L251 HydrophobicContact CZ-CD1 4.05Å; C242-L251 HydrophobicContact CB-CD1 4.19Å; C242-L251 HydrophobicContact CB-CD2 4.34Å; C242-L251 VanDerWaalsContact O-CD2 3.26Å; C242-L251 WeakPolarHBondContact O-CD2 3.24Å; W245-L251 HydrophobicContact CB-CD2 4.18Å; W245-L251 HydrophobicContact CE3-CD1 4.41Å; R246-L251 HydrophobicContact CG-CD2 4.25Å; R248-L251 PolarHBondContact O-N 3.22Å; V249-L251 PolarHBondContact O-N 3.06Å; L251-W255 WeakPolarHBondContact O-CB 3.32Å; L251-W255 PolarHBondContact O-N 2.92Å; L251-I308 HydrophobicContact CD2-CG2 4.29Å; L251-I308 HydrophobicContact CG-CG2 4.48Å |
| 252 | V | 93.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -70.5 | -37.7 | -179 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | V249 W255 N256 I351 N354 A355 | V249-V252 PolarHBondContact O-N 2.81Å; V252-W255 HydrophobicContact CG1-CE3 4.46Å; V252-W255 PolarHBondContact O-N 3.27Å; V252-N256 WeakPolarHBondContact O-CB 3.36Å; V252-N256 PolarHBondContact O-N 2.87Å; V252-N256 PolarHBondContact O-ND2 3.14Å; V252-N256 PolarHBondContact O-OD1 3.11Å; V252-I351 HydrophobicContact CB-CG2 4.39Å; V252-I351 HydrophobicContact CG2-CG2 3.59Å; V252-N354 HydrophobicContact CG1-CB 3.85Å; V252-A355 HydrophobicContact CG1-CB 3.79Å |
| 253 | D | 92.1 | Very high | 90.6 | Very high | 59 Ų | 59 | 17.6 Ų | 17.6 | 32% | 0.316 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -68.7 | -44.8 | -179.5 | -57.1 | -33 | 0 | 0 | 0 | 112 | V249 N256 R257 N354 | V249-D253 PolarHBondContact O-N 2.77Å; V249-D253 VanDerWaalsContact O-N 3.11Å; D253-N256 WeakPolarHBondContact O-CB 3.18Å; D253-N256 PolarHBondContact O-N 3.31Å; D253-R257 WeakPolarHBondContact O-CB 3.36Å; D253-R257 PolarHBondContact O-N 3.1Å; D253-N354 PolarHBondContact OD1-ND2 3.04Å |
| 254 | Q | 92.4 | Very high | 90.7 | Very high | 11 Ų | 11 | 17.4 Ų | 17.4 | 5% | 0.051 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -70.3 | -31.4 | 173.5 | -65.7 | -66.7 | -32.5 | 0 | 0 | 112.2 | E211 L214 F218 A250 V258 | E211-Q254 HydrophobicContact CG-CG 4.28Å; E211-Q254 PolarHBondContact OE1-NE2 3.35Å; L214-Q254 HydrophobicContact CB-CB 4.45Å; L214-Q254 HydrophobicContact CB-CG 4.33Å; F218-Q254 HydrophobicContact CD2-CB 3.95Å; F218-Q254 HydrophobicContact CE2-CB 3.9Å; A250-Q254 WeakPolarHBondContact O-CB 3.37Å; A250-Q254 WeakPolarHBondContact O-CG 3.29Å; A250-Q254 PolarHBondContact O-N 2.71Å; Q254-V258 VanDerWaalsContact O-CG2 3.3Å; Q254-V258 WeakPolarHBondContact O-CG2 3.48Å; Q254-V258 PolarHBondContact O-N 2.78Å |
| 255 | W | 94.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.1 | -43.4 | 171.9 | 173.2 | 83.1 | 0 | 0 | 0 | 111.6 | L251 V252 V258 N259 F304 L305 I308 I359 | L251-W255 WeakPolarHBondContact O-CB 3.32Å; L251-W255 PolarHBondContact O-N 2.92Å; V252-W255 HydrophobicContact CG1-CE3 4.46Å; V252-W255 PolarHBondContact O-N 3.27Å; W255-V258 PolarHBondContact O-N 3.11Å; W255-N259 PolarHBondContact NE1-ND2 2.8Å; W255-N259 VanDerWaalsContact NE1-ND2 3.11Å; W255-N259 WeakPolarHBondContact O-CB 3.35Å; W255-N259 PolarHBondContact O-N 2.78Å; W255-N259 PolarHBondContact O-ND2 3.48Å; W255-F304 PolarHBondContact NE1-O 2.77Å; W255-L305 HydrophobicContact CZ2-CD1 4.17Å; W255-L305 WeakPolarHBondContact CZ2-O 3.35Å; W255-I308 HydrophobicContact CD2-CD1 3.93Å; W255-I308 HydrophobicContact CD2-CG1 4.3Å; W255-I308 HydrophobicContact CD2-CG2 4.26Å; W255-I308 HydrophobicContact CE3-CD1 3.83Å; W255-I308 HydrophobicContact CG-CG2 4.08Å; W255-I308 HydrophobicContact CH2-CD1 3.69Å; W255-I308 HydrophobicContact CH2-CG1 4.3Å; W255-I308 HydrophobicContact CZ2-CD1 3.75Å; W255-I308 HydrophobicContact CZ2-CG1 3.85Å; W255-I308 HydrophobicContact CZ3-CD1 3.72Å; W255-I359 HydrophobicContact CH2-CD1 4.28Å; W255-I359 HydrophobicContact CH2-CG1 4.09Å |
| 256 | N | 93.1 | Very high | 90.9 | Very high | 28 Ų | 28 | 19.1 Ų | 19.1 | 15% | 0.15 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.3 | -51.6 | 174.4 | -73.5 | -14 | 0 | 0 | 0 | 110.8 | V252 D253 V258 N259 L260 N354 G358 | V252-N256 WeakPolarHBondContact O-CB 3.36Å; V252-N256 PolarHBondContact O-N 2.87Å; V252-N256 PolarHBondContact O-ND2 3.14Å; V252-N256 PolarHBondContact O-OD1 3.11Å; D253-N256 WeakPolarHBondContact O-CB 3.18Å; D253-N256 PolarHBondContact O-N 3.31Å; N256-V258 PolarHBondContact O-N 3.17Å; N256-N259 PolarHBondContact O-N 3.03Å; N256-L260 WeakPolarHBondContact O-CB 3.49Å; N256-L260 PolarHBondContact O-N 3.21Å; N256-N354 PolarHBondContact ND2-O 3.39Å; N256-G358 WeakPolarHBondContact OD1-CA 3.22Å |
| 257 | R | 91.4 | Very high | 90.9 | Very high | 57 Ų | 57 | 17.9 Ų | 17.9 | 22% | 0.215 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -52.9 | -51.3 | 178.1 | -176 | -174.6 | 179 | -132.3 | -6.4 | 112.3 | E219 D253 L260 A261 D284 | E219-R257 IonicContact OE1-CZ 2.73Å; E219-R257 IonicContact OE1-NH1 3.38Å; E219-R257 PolarHBondContact OE1-NH1 2.91Å; D253-R257 WeakPolarHBondContact O-CB 3.36Å; D253-R257 PolarHBondContact O-N 3.1Å; R257-L260 PolarHBondContact O-N 3.41Å; R257-A261 PolarHBondContact O-N 3.38Å; R257-A261 VanDerWaalsContact O-N 3.11Å; R257-D284 IonicContact CZ-OD1 2.78Å; R257-D284 IonicContact NE-OD1 3.23Å; R257-D284 PolarHBondContact NE-OD1 3.19Å; R257-D284 IonicContact NE-OD2 2.92Å; R257-D284 IonicContact NH2-OD1 2.83Å; R257-D284 PolarHBondContact NH2-OD1 3.37Å |
| 258 | V | 92.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66 | -44.4 | 179.7 | 173 | 0 | 0 | 0 | 0 | 112.1 | F218 L222 Q254 W255 N256 L260 A261 L262 L287 F304 | F218-V258 HydrophobicContact CB-CG2 3.88Å; F218-V258 HydrophobicContact CD2-CG2 3.85Å; F218-V258 HydrophobicContact CG-CG2 4.23Å; L222-V258 HydrophobicContact CD1-CG1 4.08Å; L222-V258 HydrophobicContact CD1-CG2 4.45Å; L222-V258 HydrophobicContact CD2-CG1 4.32Å; Q254-V258 VanDerWaalsContact O-CG2 3.3Å; Q254-V258 WeakPolarHBondContact O-CG2 3.48Å; Q254-V258 PolarHBondContact O-N 2.78Å; W255-V258 PolarHBondContact O-N 3.11Å; N256-V258 PolarHBondContact O-N 3.17Å; V258-L260 VanDerWaalsContact C-N 3.34Å; V258-L260 PolarHBondContact O-N 3.19Å; V258-A261 PolarHBondContact O-N 2.77Å; V258-L262 HydrophobicContact CG1-CD1 3.61Å; V258-L262 HydrophobicContact CG1-CG 4.38Å; V258-L262 WeakPolarHBondContact O-CB 3.49Å; V258-L262 WeakPolarHBondContact O-CG 3.45Å; V258-L262 PolarHBondContact O-N 3.05Å; V258-L287 HydrophobicContact CB-CD2 4.42Å; V258-L287 HydrophobicContact CG2-CD2 3.77Å; V258-F304 HydrophobicContact CB-CD1 4.19Å; V258-F304 HydrophobicContact CB-CE1 4.23Å; V258-F304 HydrophobicContact CG1-CD1 3.46Å; V258-F304 VanDerWaalsContact CG1-CD1 3.46Å; V258-F304 HydrophobicContact CG1-CD2 4.21Å; V258-F304 HydrophobicContact CG1-CE1 3.55Å; V258-F304 HydrophobicContact CG1-CE2 4.27Å; V258-F304 HydrophobicContact CG1-CG 3.81Å; V258-F304 HydrophobicContact CG1-CZ 3.96Å; V258-F304 HydrophobicContact CG2-CE1 4.41Å |
| 259 | N | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.2 | -34.6 | 179.5 | -77.8 | -77.9 | 0 | 0 | 0 | 112.3 | W255 N256 L262 T263 L305 | W255-N259 PolarHBondContact NE1-ND2 2.8Å; W255-N259 VanDerWaalsContact NE1-ND2 3.11Å; W255-N259 WeakPolarHBondContact O-CB 3.35Å; W255-N259 PolarHBondContact O-N 2.78Å; W255-N259 PolarHBondContact O-ND2 3.48Å; N256-N259 PolarHBondContact O-N 3.03Å; N259-L262 PolarHBondContact O-N 3.25Å; N259-T263 VanDerWaalsContact O-CB 3.28Å; N259-T263 WeakPolarHBondContact O-CB 3.44Å; N259-T263 PolarHBondContact O-N 2.96Å; N259-T263 PolarHBondContact O-OG1 3.36Å; N259-L305 VanDerWaalsContact OD1-CA 3.24Å; N259-L305 WeakPolarHBondContact OD1-CA 3.43Å; N259-L305 PolarHBondContact OD1-N 2.7Å |
| 260 | L | 90.8 | Very high | 90.8 | Very high | 24 Ų | 24 | 25.7 Ų | 25.7 | 13% | 0.126 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.9 | -45.4 | 175.9 | -168 | 71.4 | 0 | 0 | 0 | 111.4 | N256 R257 V258 L262 T263 A264 L278 Y370 | N256-L260 WeakPolarHBondContact O-CB 3.49Å; N256-L260 PolarHBondContact O-N 3.21Å; R257-L260 PolarHBondContact O-N 3.41Å; V258-L260 VanDerWaalsContact C-N 3.34Å; V258-L260 PolarHBondContact O-N 3.19Å; L260-L262 PolarHBondContact O-N 3.06Å; L260-T263 PolarHBondContact O-N 2.84Å; L260-A264 PolarHBondContact O-N 3.36Å; L260-L278 HydrophobicContact CD1-CD2 3.77Å; L260-L278 HydrophobicContact CG-CD2 3.86Å; L260-Y370 HydrophobicContact CD1-CD2 4.43Å; L260-Y370 HydrophobicContact CD1-CE2 4.1Å; L260-Y370 HydrophobicContact CD2-CE2 4.16Å; L260-Y370 WeakPolarHBondContact CD2-OH 3.36Å |
| 261 | A | 90.5 | Very high | 90.5 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.1 | -45.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R257 V258 T263 A264 R265 L287 I288 | R257-A261 PolarHBondContact O-N 3.38Å; R257-A261 VanDerWaalsContact O-N 3.11Å; V258-A261 PolarHBondContact O-N 2.77Å; A261-T263 VanDerWaalsContact C-N 3.32Å; A261-T263 PolarHBondContact O-N 2.78Å; A261-A264 WeakPolarHBondContact O-CB 3.35Å; A261-A264 PolarHBondContact O-N 3.47Å; A261-R265 PolarHBondContact O-N 3.21Å; A261-L287 HydrophobicContact CB-CB 4.49Å; A261-L287 HydrophobicContact CB-CD2 4.32Å; A261-I288 VanDerWaalsContact C-CD1 3.43Å; A261-I288 HydrophobicContact CB-CD1 4.17Å; A261-I288 HydrophobicContact CB-CG1 4.46Å; A261-I288 VanDerWaalsContact O-CD1 3.24Å; A261-I288 WeakPolarHBondContact O-CD1 3.33Å |
| 262 | L | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.6 | -36.7 | 177.1 | -74.8 | 164.4 | 0 | 0 | 0 | 111.9 | L222 V258 N259 L260 L266 I288 V297 T300 W301 F304 | L222-L262 HydrophobicContact CD2-CD1 4.19Å; L222-L262 HydrophobicContact CD2-CD2 4.21Å; L222-L262 HydrophobicContact CD2-CG 4.49Å; V258-L262 HydrophobicContact CG1-CD1 3.61Å; V258-L262 HydrophobicContact CG1-CG 4.38Å; V258-L262 WeakPolarHBondContact O-CB 3.49Å; V258-L262 WeakPolarHBondContact O-CG 3.45Å; V258-L262 PolarHBondContact O-N 3.05Å; N259-L262 PolarHBondContact O-N 3.25Å; L260-L262 PolarHBondContact O-N 3.06Å; L262-L266 WeakPolarHBondContact O-CB 3.39Å; L262-L266 PolarHBondContact O-N 3.32Å; L262-I288 HydrophobicContact CB-CD1 4.43Å; L262-I288 HydrophobicContact CD2-CD1 3.82Å; L262-I288 HydrophobicContact CD2-CG1 4.31Å; L262-I288 HydrophobicContact CG-CD1 4.08Å; L262-V297 HydrophobicContact CD2-CG1 4.28Å; L262-T300 HydrophobicContact CD1-CG2 4.3Å; L262-T300 HydrophobicContact CD2-CG2 4.26Å; L262-W301 HydrophobicContact CB-CB 4.05Å; L262-W301 HydrophobicContact CB-CG 4.31Å; L262-F304 HydrophobicContact CD1-CB 3.98Å; L262-F304 HydrophobicContact CD1-CD2 4.01Å; L262-F304 HydrophobicContact CD1-CG 4.07Å |
| 263 | T | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.2 | -41.4 | 175.7 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | N259 L260 A261 R265 L266 L267 W301 A365 F366 | N259-T263 VanDerWaalsContact O-CB 3.28Å; N259-T263 WeakPolarHBondContact O-CB 3.44Å; N259-T263 PolarHBondContact O-N 2.96Å; N259-T263 PolarHBondContact O-OG1 3.36Å; L260-T263 PolarHBondContact O-N 2.84Å; A261-T263 VanDerWaalsContact C-N 3.32Å; A261-T263 PolarHBondContact O-N 2.78Å; T263-R265 PolarHBondContact O-N 3.44Å; T263-L266 PolarHBondContact O-N 3.01Å; T263-L267 HydrophobicContact CG2-CD1 3.95Å; T263-L267 HydrophobicContact CG2-CG 4.28Å; T263-L267 WeakPolarHBondContact O-CB 3.4Å; T263-L267 VanDerWaalsContact O-CG 3.25Å; T263-L267 WeakPolarHBondContact O-CG 3.43Å; T263-L267 PolarHBondContact O-N 2.87Å; T263-W301 PolarHBondContact OG1-NE1 3.27Å; T263-A365 HydrophobicContact CG2-CB 4Å; T263-F366 HydrophobicContact CG2-CD2 4.39Å; T263-F366 HydrophobicContact CG2-CE2 3.94Å; T263-F366 HydrophobicContact CG2-CZ 4.11Å |
| 264 | A | 88.8 | Confident | 87.7 | Confident | 21 Ų | 21 | 37.8 Ų | 37.8 | 17% | 0.174 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.9 | -50.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L260 A261 L267 E268 L278 | L260-A264 PolarHBondContact O-N 3.36Å; A261-A264 WeakPolarHBondContact O-CB 3.35Å; A261-A264 PolarHBondContact O-N 3.47Å; A264-L267 PolarHBondContact O-N 2.95Å; A264-E268 PolarHBondContact O-N 2.98Å; A264-L278 HydrophobicContact CB-CB 3.84Å; A264-L278 HydrophobicContact CB-CD2 3.71Å; A264-L278 HydrophobicContact CB-CG 4.41Å |
| 265 | R | 87.4 | Confident | 87.1 | Confident | 82 Ų | 82 | 37.7 Ų | 37.7 | 31% | 0.309 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -70.4 | -34.4 | -180 | -173.3 | 58 | 178.9 | 155.6 | 4.2 | 112.6 | A261 T263 E268 F269 I288 V297 | A261-R265 PolarHBondContact O-N 3.21Å; T263-R265 PolarHBondContact O-N 3.44Å; R265-E268 IonicContact CZ-OE2 3.1Å; R265-E268 IonicContact NH1-OE1 3.22Å; R265-E268 PolarHBondContact NH1-OE1 3.11Å; R265-E268 IonicContact NH1-OE2 3.5Å; R265-E268 PolarHBondContact NH1-OE2 2.9Å; R265-F269 WeakPolarHBondContact O-CD1 3.48Å; R265-I288 HydrophobicContact CB-CD1 4.01Å; R265-V297 HydrophobicContact CB-CG1 4.32Å; R265-V297 HydrophobicContact CG-CG1 4.23Å; R265-V297 HydrophobicContact CG-CG2 4.22Å |
| 266 | L | 90.6 | Very high | 86.1 | Confident | 16 Ų | 16 | 40.5 Ų | 40.5 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 173.5 | 176.5 | 63.2 | 0 | 0 | 0 | 111.8 | L262 T263 F269 S270 A298 W301 F366 | L262-L266 WeakPolarHBondContact O-CB 3.39Å; L262-L266 PolarHBondContact O-N 3.32Å; T263-L266 PolarHBondContact O-N 3.01Å; L266-F269 HydrophobicContact CD1-CE1 4.25Å; L266-F269 HydrophobicContact CD1-CE2 3.94Å; L266-F269 HydrophobicContact CD1-CZ 3.53Å; L266-S270 WeakPolarHBondContact O-CB 3.29Å; L266-S270 PolarHBondContact O-N 3.03Å; L266-S270 PolarHBondContact O-OG 3.08Å; L266-A298 HydrophobicContact CD1-CB 4.31Å; L266-W301 HydrophobicContact CD2-CD2 3.54Å; L266-W301 HydrophobicContact CD2-CE3 3.78Å; L266-W301 HydrophobicContact CD2-CG 3.94Å; L266-W301 HydrophobicContact CD2-CH2 4.33Å; L266-W301 HydrophobicContact CD2-CZ2 4.12Å; L266-W301 HydrophobicContact CD2-CZ3 4.17Å; L266-F366 HydrophobicContact CD2-CZ 4.16Å |
| 267 | L | 89 | Confident | 85 | Confident | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 179.2 | -72.9 | 167 | 0 | 0 | 0 | 111.9 | T263 A264 F269 S270 Y271 F275 A365 F366 | T263-L267 HydrophobicContact CG2-CD1 3.95Å; T263-L267 HydrophobicContact CG2-CG 4.28Å; T263-L267 WeakPolarHBondContact O-CB 3.4Å; T263-L267 VanDerWaalsContact O-CG 3.25Å; T263-L267 WeakPolarHBondContact O-CG 3.43Å; T263-L267 PolarHBondContact O-N 2.87Å; A264-L267 PolarHBondContact O-N 2.95Å; L267-F269 PolarHBondContact O-N 3.3Å; L267-S270 PolarHBondContact O-N 2.9Å; L267-Y271 HydrophobicContact CD2-CD2 3.78Å; L267-Y271 HydrophobicContact CD2-CE2 3.88Å; L267-Y271 PolarHBondContact O-N 3.23Å; L267-F275 HydrophobicContact CB-CD1 4.31Å; L267-F275 HydrophobicContact CB-CE1 4.45Å; L267-F275 HydrophobicContact CD1-CE1 3.98Å; L267-F275 HydrophobicContact CD2-CE1 4Å; L267-F275 HydrophobicContact CD2-CZ 4.04Å; L267-F275 HydrophobicContact CG-CE1 4.37Å; L267-A365 HydrophobicContact CD1-CB 3.94Å; L267-A365 WeakPolarHBondContact CD1-O 3.07Å; L267-F366 HydrophobicContact CD2-CD1 3.58Å; L267-F366 HydrophobicContact CD2-CE1 3.88Å; L267-F366 HydrophobicContact CD2-CG 4.4Å |
| 268 | E | 84.2 | Confident | 84.3 | Confident | 100 Ų | 100 | 45.7 Ų | 45.7 | 47% | 0.467 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56.2 | -44.7 | -177.3 | -164.6 | -160.1 | 142.1 | 0 | 0 | 112.8 | A264 R265 G272 | A264-E268 PolarHBondContact O-N 2.98Å; R265-E268 IonicContact CZ-OE2 3.1Å; R265-E268 IonicContact NH1-OE1 3.22Å; R265-E268 PolarHBondContact NH1-OE1 3.11Å; R265-E268 IonicContact NH1-OE2 3.5Å; R265-E268 PolarHBondContact NH1-OE2 2.9Å; E268-G272 CarbonylContact O-C 3.59Å; E268-G272 WeakPolarHBondContact O-CA 3.44Å; E268-G272 PolarHBondContact O-N 3.09Å; E268-G272 VanDerWaalsContact O-N 3.09Å |
| 269 | F | 87.5 | Confident | 83.1 | Confident | 63 Ų | 63 | 53.3 Ų | 53.3 | 28% | 0.276 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -86.9 | -19.6 | 177.3 | 73.7 | -111 | 0 | 0 | 0 | 114.4 | R265 L266 L267 N294 V297 A298 | R265-F269 WeakPolarHBondContact O-CD1 3.48Å; L266-F269 HydrophobicContact CD1-CE1 4.25Å; L266-F269 HydrophobicContact CD1-CE2 3.94Å; L266-F269 HydrophobicContact CD1-CZ 3.53Å; L267-F269 PolarHBondContact O-N 3.3Å; F269-N294 WeakPolarHBondContact CB-ND2 3.36Å; F269-N294 HydrophobicContact CD1-CB 3.98Å; F269-N294 HydrophobicContact CD2-CB 3.92Å; F269-N294 HydrophobicContact CE1-CB 3.85Å; F269-N294 HydrophobicContact CE2-CB 3.81Å; F269-N294 HydrophobicContact CG-CB 4.02Å; F269-N294 HydrophobicContact CZ-CB 3.77Å; F269-N294 WeakPolarHBondContact CZ-O 3.47Å; F269-V297 HydrophobicContact CE1-CB 3.94Å; F269-V297 HydrophobicContact CE1-CG1 3.94Å; F269-V297 HydrophobicContact CZ-CB 4.45Å; F269-A298 HydrophobicContact CZ-CB 4.41Å |
| 270 | S | 87.6 | Confident | 81.9 | Confident | 56 Ų | 56 | 55 Ų | 55 | 39% | 0.392 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -84.2 | -32.1 | -179.4 | -58.8 | 0 | 0 | 0 | 0 | 113.1 | L266 L267 | L266-S270 WeakPolarHBondContact O-CB 3.29Å; L266-S270 PolarHBondContact O-N 3.03Å; L266-S270 PolarHBondContact O-OG 3.08Å; L267-S270 PolarHBondContact O-N 2.9Å |
| 271 | Y | 83.4 | Confident | 80.6 | Confident | 83 Ų | 83 | 56.7 Ų | 56.7 | 33% | 0.325 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -123.1 | -5.2 | -176 | -57.5 | -78.8 | 0 | 0 | 0 | 113.4 | L267 F275 A633 P635 | L267-Y271 HydrophobicContact CD2-CD2 3.78Å; L267-Y271 HydrophobicContact CD2-CE2 3.88Å; L267-Y271 PolarHBondContact O-N 3.23Å; Y271-F275 HydrophobicContact CD2-CD2 4.43Å; Y271-F275 HydrophobicContact CG-CD2 4.02Å; Y271-F275 HydrophobicContact CG-CE2 4.45Å; Y271-A633 VanDerWaalsContact CD1-O 3.26Å; Y271-A633 WeakPolarHBondContact CD1-O 3.13Å; Y271-P635 HydrophobicContact CE1-CG 4.32Å; Y271-P635 HydrophobicContact CE2-CG 4.31Å; Y271-P635 WeakPolarHBondContact OH-CG 3.14Å |
| 272 | G | 77.7 | Confident | 79 | Confident | 22 Ų | 22 | 63.7 Ų | 63.7 | 23% | 0.227 | 35% | 0.353 | C | S | . | . | trans | 80.1 | 176.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E268 A274 F275 | E268-G272 CarbonylContact O-C 3.59Å; E268-G272 WeakPolarHBondContact O-CA 3.44Å; E268-G272 PolarHBondContact O-N 3.09Å; E268-G272 VanDerWaalsContact O-N 3.09Å; G272-A274 PolarHBondContact O-N 3Å; G272-A274 VanDerWaalsContact O-N 3.1Å; G272-F275 WeakPolarHBondContact O-CB 3.43Å; G272-F275 PolarHBondContact O-N 2.73Å; G272-F275 VanDerWaalsContact O-N 3.08Å | ||
| 273 | P | 74 | Confident | 77.5 | Confident | 121 Ų | 121 | 71.6 Ų | 71.6 | 79% | 0.786 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -7.1 | -172.1 | 29.8 | -37.1 | 0 | 0 | 0 | 114.6 | F275 | P273-F275 VanDerWaalsContact C-N 3.35Š|
| 274 | A | 68.6 | Low | 76.5 | Confident | 98 Ų | 98 | 73.2 Ų | 73.2 | 81% | 0.81 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -9.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G272 | G272-A274 PolarHBondContact O-N 3Å; G272-A274 VanDerWaalsContact O-N 3.1Å |
| 275 | F | 78.9 | Confident | 75.4 | Confident | 9 Ų | 9 | 74.9 Ų | 74.9 | 4% | 0.039 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -74.3 | 140.5 | 171.3 | -163.8 | -86.5 | 0 | 0 | 0 | 110.1 | L267 Y271 G272 P273 Q277 A365 A631 A633 | L267-F275 HydrophobicContact CB-CD1 4.31Å; L267-F275 HydrophobicContact CB-CE1 4.45Å; L267-F275 HydrophobicContact CD1-CE1 3.98Å; L267-F275 HydrophobicContact CD2-CE1 4Å; L267-F275 HydrophobicContact CD2-CZ 4.04Å; L267-F275 HydrophobicContact CG-CE1 4.37Å; Y271-F275 HydrophobicContact CD2-CD2 4.43Å; Y271-F275 HydrophobicContact CG-CD2 4.02Å; Y271-F275 HydrophobicContact CG-CE2 4.45Å; G272-F275 WeakPolarHBondContact O-CB 3.43Å; G272-F275 PolarHBondContact O-N 2.73Å; G272-F275 VanDerWaalsContact O-N 3.08Å; P273-F275 VanDerWaalsContact C-N 3.35Å; F275-Q277 PolarHBondContact O-N 3.29Å; F275-Q277 VanDerWaalsContact O-N 3.14Å; F275-A365 WeakPolarHBondContact CE1-O 3.44Å; F275-A365 WeakPolarHBondContact CZ-O 3.46Å; F275-A631 HydrophobicContact CD2-CB 4.13Å; F275-A631 HydrophobicContact CE2-CB 3.66Å; F275-A631 HydrophobicContact CZ-CB 4.02Å; F275-A633 HydrophobicContact CD2-CB 4.18Å |
| 276 | P | 75.4 | Confident | 74.8 | Confident | 58 Ų | 58 | 79.2 Ų | 79.2 | 38% | 0.377 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 119.9 | 178.7 | -29.4 | 36.6 | 0 | 0 | 0 | 112.9 | L278 A631 | P276-L278 PolarHBondContact O-N 3.21Å; P276-A631 HydrophobicContact CG-CB 3.96Å |
| 277 | Q | 69.9 | Low | 74.5 | Confident | 163 Ų | 163 | 79.1 Ų | 79.1 | 76% | 0.762 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 125.7 | -179.1 | -72.9 | -171.3 | -7.4 | 0 | 0 | 111.3 | F275 K279 | F275-Q277 PolarHBondContact O-N 3.29Å; F275-Q277 VanDerWaalsContact O-N 3.14Å; Q277-K279 PolarHBondContact O-N 3.3Å; Q277-K279 VanDerWaalsContact O-N 3.13Å |
| 278 | L | 75.5 | Confident | 74.4 | Confident | 32 Ų | 32 | 80 Ų | 80 | 17% | 0.168 | 45% | 0.446 | C | S | . | . | trans | -71.3 | 106.8 | 179 | -152.6 | 80 | 0 | 0 | 0 | 110.5 | L260 A264 P276 N280 A365 Y370 | L260-L278 HydrophobicContact CD1-CD2 3.77Å; L260-L278 HydrophobicContact CG-CD2 3.86Å; A264-L278 HydrophobicContact CB-CB 3.84Å; A264-L278 HydrophobicContact CB-CD2 3.71Å; A264-L278 HydrophobicContact CB-CG 4.41Å; P276-L278 PolarHBondContact O-N 3.21Å; L278-N280 VanDerWaalsContact C-N 3.29Å; L278-N280 PolarHBondContact O-N 3.45Å; L278-A365 HydrophobicContact CD1-CB 3.51Å; L278-A365 HydrophobicContact CD2-CB 4.24Å; L278-Y370 HydrophobicContact CD1-CD1 3.5Å; L278-Y370 HydrophobicContact CD1-CE1 4.38Å; L278-Y370 HydrophobicContact CD1-CG 3.6Å; L278-Y370 HydrophobicContact CG-CD1 3.84Å; L278-Y370 HydrophobicContact CG-CE1 4.28Å; L278-Y370 HydrophobicContact CG-CG 4.35Å | ||
| 279 | K | 67.3 | Low | 74.5 | Confident | 162 Ų | 162 | 76.7 Ų | 76.7 | 70% | 0.704 | 43% | 0.433 | S | S | * | . | trans | -75.7 | 81.9 | 174.7 | -69.2 | -173.4 | 178.5 | -179.4 | 0 | 110.8 | Q277 | Q277-K279 PolarHBondContact O-N 3.3Å; Q277-K279 VanDerWaalsContact O-N 3.13Å | ||
| 280 | N | 69.3 | Low | 74.2 | Confident | 34 Ų | 34 | 82.1 Ų | 82.1 | 18% | 0.182 | 46% | 0.463 | C | S | . | . | trans | -63.7 | 166.8 | 161.4 | -68.8 | -22.1 | 0 | 0 | 0 | 110.4 | L278 D284 | L278-N280 VanDerWaalsContact C-N 3.29Å; L278-N280 PolarHBondContact O-N 3.45Å; N280-D284 HydrophobicContact CB-CB 4.35Å | ||
| 281 | A | 63.6 | Low | 74 | Confident | 60 Ų | 60 | 82.5 Ų | 82.5 | 50% | 0.496 | 48% | 0.476 | S | S | . | . | trans | -63.1 | 145.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110 | E283 D284 G285 | A281-E283 PolarHBondContact O-N 3.4Å; A281-E283 VanDerWaalsContact O-N 3.12Å; A281-D284 PolarHBondContact O-N 3.44Å; A281-G285 PolarHBondContact O-N 3.33Å | ||
| 282 | D | 56.3 | Low | 74.2 | Confident | 152 Ų | 152 | 79 Ų | 79 | 81% | 0.813 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -29.8 | -175.1 | -63.1 | -57.2 | 0 | 0 | 0 | 113.1 | ||
| 283 | E | 59.9 | Low | 74.9 | Confident | 166 Ų | 166 | 81.2 Ų | 81.2 | 78% | 0.776 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -29.2 | 176 | -57.1 | -166.7 | 153.9 | 0 | 0 | 112.9 | A281 | A281-E283 PolarHBondContact O-N 3.4Å; A281-E283 VanDerWaalsContact O-N 3.12Å |
| 284 | D | 71.8 | Confident | 75.7 | Confident | 35 Ų | 35 | 78.7 Ų | 78.7 | 19% | 0.187 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -87.2 | -19.2 | -177.8 | -70.4 | -17.8 | 0 | 0 | 0 | 113 | R257 N280 A281 Q286 L287 | R257-D284 IonicContact CZ-OD1 2.78Å; R257-D284 IonicContact NE-OD1 3.23Å; R257-D284 PolarHBondContact NE-OD1 3.19Å; R257-D284 IonicContact NE-OD2 2.92Å; R257-D284 IonicContact NH2-OD1 2.83Å; R257-D284 PolarHBondContact NH2-OD1 3.37Å; N280-D284 HydrophobicContact CB-CB 4.35Å; A281-D284 PolarHBondContact O-N 3.44Å; D284-Q286 PolarHBondContact O-N 3.12Å; D284-L287 VanDerWaalsContact O-CB 3.28Å; D284-L287 WeakPolarHBondContact O-CB 3.48Å; D284-L287 PolarHBondContact O-N 3.1Å; D284-L287 VanDerWaalsContact O-N 3.14Å |
| 285 | G | 66.1 | Low | 76.8 | Confident | 56 Ų | 56 | 80.4 Ų | 80.4 | 58% | 0.577 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -60.5 | -23.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A281 | A281-G285 PolarHBondContact O-N 3.33Š|
| 286 | Q | 74.8 | Confident | 77.5 | Confident | 172 Ų | 172 | 80.8 Ų | 80.8 | 80% | 0.804 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -92.8 | -1.5 | 179.1 | -56.7 | -171.9 | 21 | 0 | 0 | 113.8 | D284 I288 | D284-Q286 PolarHBondContact O-N 3.12Å; Q286-I288 VanDerWaalsContact C-N 3.25Å; Q286-I288 PolarHBondContact O-N 3.08Å |
| 287 | L | 84.2 | Confident | 78.3 | Confident | 15 Ų | 15 | 78 Ų | 78 | 8% | 0.079 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -67.4 | -25.1 | -174.6 | -150.8 | 85.9 | 0 | 0 | 0 | 113.3 | E219 L222 V258 A261 D284 | E219-L287 HydrophobicContact CG-CD1 3.64Å; E219-L287 HydrophobicContact CG-CG 4.25Å; L222-L287 HydrophobicContact CD1-CD2 4.04Å; L222-L287 HydrophobicContact CD1-CG 4.16Å; V258-L287 HydrophobicContact CB-CD2 4.42Å; V258-L287 HydrophobicContact CG2-CD2 3.77Å; A261-L287 HydrophobicContact CB-CB 4.49Å; A261-L287 HydrophobicContact CB-CD2 4.32Å; D284-L287 VanDerWaalsContact O-CB 3.28Å; D284-L287 WeakPolarHBondContact O-CB 3.48Å; D284-L287 PolarHBondContact O-N 3.1Å; D284-L287 VanDerWaalsContact O-N 3.14Å |
| 288 | I | 87.2 | Confident | 79.4 | Confident | 24 Ų | 24 | 71.9 Ų | 71.9 | 12% | 0.123 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -101 | 124.1 | 179.5 | -65 | 175.4 | 0 | 0 | 0 | 109.3 | A261 L262 R265 Q286 I290 M292 | A261-I288 VanDerWaalsContact C-CD1 3.43Å; A261-I288 HydrophobicContact CB-CD1 4.17Å; A261-I288 HydrophobicContact CB-CG1 4.46Å; A261-I288 VanDerWaalsContact O-CD1 3.24Å; A261-I288 WeakPolarHBondContact O-CD1 3.33Å; L262-I288 HydrophobicContact CB-CD1 4.43Å; L262-I288 HydrophobicContact CD2-CD1 3.82Å; L262-I288 HydrophobicContact CD2-CG1 4.31Å; L262-I288 HydrophobicContact CG-CD1 4.08Å; R265-I288 HydrophobicContact CB-CD1 4.01Å; Q286-I288 VanDerWaalsContact C-N 3.25Å; Q286-I288 PolarHBondContact O-N 3.08Å; I288-I290 PolarHBondContact O-N 3.22Å; I288-M292 HydrophobicContact CG2-CB 4.42Å; I288-M292 HydrophobicContact CG2-SD 3.98Å |
| 289 | P | 86.6 | Confident | 80.3 | Confident | 30 Ų | 30 | 74.5 Ų | 74.5 | 20% | 0.195 | 42% | 0.424 | C | S | . | . | trans | -66.8 | 129.4 | 179.2 | -11.3 | 23.4 | 0 | 0 | 0 | 111.2 | L223 V226 G291 M292 | L223-P289 HydrophobicContact CB-CG 4.45Å; L223-P289 HydrophobicContact CD1-CB 4.1Å; L223-P289 HydrophobicContact CD1-CG 3.85Å; V226-P289 HydrophobicContact CG2-CB 3.99Å; V226-P289 HydrophobicContact CG2-CG 3.92Å; P289-G291 PolarHBondContact O-N 3.29Å; P289-M292 VanDerWaalsContact O-CB 3.25Å; P289-M292 WeakPolarHBondContact O-CB 3.2Å; P289-M292 PolarHBondContact O-N 2.67Å | ||
| 290 | I | 80.7 | Confident | 81.6 | Confident | 177 Ų | 177 | 66.8 Ų | 66.8 | 91% | 0.908 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -28.9 | -174.4 | -57.7 | 169 | 0 | 0 | 0 | 113 | I288 M292 | I288-I290 PolarHBondContact O-N 3.22Å; I290-M292 VanDerWaalsContact C-N 3.26Å; I290-M292 PolarHBondContact O-N 3.44Å |
| 291 | G | 82.3 | Confident | 82.8 | Confident | 64 Ų | 64 | 66.2 Ų | 66.2 | 66% | 0.66 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 6.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116 | P289 | P289-G291 PolarHBondContact O-N 3.29Š|
| 292 | M | 89.1 | Confident | 84.2 | Confident | 9 Ų | 9 | 69.5 Ų | 69.5 | 4% | 0.044 | 39% | 0.387 | C | S | . | . | trans | -76.3 | 120.7 | 179.3 | -161.3 | 169.3 | -153 | 0 | 0 | 111.2 | C225 V226 I288 P289 I290 C296 V297 T300 | C225-M292 HydrophobicContact CB-CE 3.56Å; V226-M292 HydrophobicContact CG2-CB 3.58Å; V226-M292 HydrophobicContact CG2-CG 3.73Å; V226-M292 HydrophobicContact CG2-SD 4.28Å; I288-M292 HydrophobicContact CG2-CB 4.42Å; I288-M292 HydrophobicContact CG2-SD 3.98Å; P289-M292 VanDerWaalsContact O-CB 3.25Å; P289-M292 WeakPolarHBondContact O-CB 3.2Å; P289-M292 PolarHBondContact O-N 2.67Å; I290-M292 VanDerWaalsContact C-N 3.26Å; I290-M292 PolarHBondContact O-N 3.44Å; M292-C296 HydrophobicContact CE-CB 4.38Å; M292-C296 WeakPolarHBondContact CE-SG 3.33Å; M292-C296 HydrophobicContact CG-CB 3.96Å; M292-V297 HydrophobicContact CB-CG2 4.03Å; M292-V297 HydrophobicContact CG-CG2 3.64Å; M292-V297 HydrophobicContact SD-CG2 3.8Å; M292-T300 HydrophobicContact CE-CG2 3.93Å; M292-T300 VanDerWaalsContact CE-OG1 3.22Å; M292-T300 WeakPolarHBondContact CE-OG1 3.3Å | ||
| 293 | S | 91.7 | Very high | 86 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 48% | 0.476 | 36% | 0.361 | S | S | . | . | trans | -68.3 | 153 | 175.8 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | D295 C296 V297 | S293-D295 VanDerWaalsContact C-N 3.3Å; S293-D295 PolarHBondContact O-N 3.09Å; S293-C296 CarbonylContact O-C 3Å; S293-C296 WeakPolarHBondContact O-CA 3.06Å; S293-C296 WeakPolarHBondContact O-CB 3.31Å; S293-C296 PolarHBondContact O-N 3.41Å; S293-C296 WeakPolarHBondContact OG-CB 3.28Å; S293-C296 PolarHBondContact OG-N 2.88Å; S293-V297 PolarHBondContact O-N 3.26Å | ||
| 294 | N | 91 | Very high | 87.6 | Confident | 69 Ų | 69 | 57.9 Ų | 57.9 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.6 | -42.4 | -177.6 | -64.7 | 2.2 | 0 | 0 | 0 | 112.5 | F269 C296 V297 A298 | F269-N294 WeakPolarHBondContact CB-ND2 3.36Å; F269-N294 HydrophobicContact CD1-CB 3.98Å; F269-N294 HydrophobicContact CD2-CB 3.92Å; F269-N294 HydrophobicContact CE1-CB 3.85Å; F269-N294 HydrophobicContact CE2-CB 3.81Å; F269-N294 HydrophobicContact CG-CB 4.02Å; F269-N294 HydrophobicContact CZ-CB 3.77Å; F269-N294 WeakPolarHBondContact CZ-O 3.47Å; N294-C296 VanDerWaalsContact C-N 3.31Å; N294-C296 PolarHBondContact O-N 2.8Å; N294-V297 PolarHBondContact O-N 3.37Å; N294-A298 WeakPolarHBondContact O-CB 3.37Å; N294-A298 PolarHBondContact O-N 3.18Å |
| 295 | D | 91.6 | Very high | 88.6 | Confident | 133 Ų | 133 | 56.2 Ų | 56.2 | 71% | 0.711 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.9 | -38.9 | 174.8 | -56 | -51.7 | 0 | 0 | 0 | 112 | S293 A298 Q299 | S293-D295 VanDerWaalsContact C-N 3.3Å; S293-D295 PolarHBondContact O-N 3.09Å; D295-A298 PolarHBondContact O-N 3.44Å; D295-Q299 VanDerWaalsContact O-CB 3.25Å; D295-Q299 WeakPolarHBondContact O-CB 3.29Å; D295-Q299 PolarHBondContact O-N 3.34Å |
| 296 | C | 92.8 | Very high | 89.9 | Confident | 17 Ų | 17 | 56.2 Ų | 56.2 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.3 | -40.3 | 177.2 | -168.7 | 0 | 0 | 0 | 0 | 111.3 | C225 M292 S293 N294 T300 | C225-C296 PolarHBondContact O-SG 3.36Å; M292-C296 HydrophobicContact CE-CB 4.38Å; M292-C296 WeakPolarHBondContact CE-SG 3.33Å; M292-C296 HydrophobicContact CG-CB 3.96Å; S293-C296 CarbonylContact O-C 3Å; S293-C296 WeakPolarHBondContact O-CA 3.06Å; S293-C296 WeakPolarHBondContact O-CB 3.31Å; S293-C296 PolarHBondContact O-N 3.41Å; S293-C296 WeakPolarHBondContact OG-CB 3.28Å; S293-C296 PolarHBondContact OG-N 2.88Å; N294-C296 VanDerWaalsContact C-N 3.31Å; N294-C296 PolarHBondContact O-N 2.8Å; C296-T300 WeakPolarHBondContact O-CB 3.33Å; C296-T300 PolarHBondContact O-N 3.26Å; C296-T300 PolarHBondContact O-OG1 3.02Å |
| 297 | V | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.9 | -51.6 | 171.4 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | L262 R265 F269 M292 S293 N294 Q299 T300 W301 | L262-V297 HydrophobicContact CD2-CG1 4.28Å; R265-V297 HydrophobicContact CB-CG1 4.32Å; R265-V297 HydrophobicContact CG-CG1 4.23Å; R265-V297 HydrophobicContact CG-CG2 4.22Å; F269-V297 HydrophobicContact CE1-CB 3.94Å; F269-V297 HydrophobicContact CE1-CG1 3.94Å; F269-V297 HydrophobicContact CZ-CB 4.45Å; M292-V297 HydrophobicContact CB-CG2 4.03Å; M292-V297 HydrophobicContact CG-CG2 3.64Å; M292-V297 HydrophobicContact SD-CG2 3.8Å; S293-V297 PolarHBondContact O-N 3.26Å; N294-V297 PolarHBondContact O-N 3.37Å; V297-Q299 PolarHBondContact O-N 3.3Å; V297-T300 PolarHBondContact O-N 2.77Å; V297-W301 VanDerWaalsContact O-CB 3.3Å; V297-W301 WeakPolarHBondContact O-CB 3.46Å; V297-W301 PolarHBondContact O-N 3.09Å |
| 298 | A | 92.9 | Very high | 91 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 29% | 0.289 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L266 F269 N294 D295 T300 Y302 | L266-A298 HydrophobicContact CD1-CB 4.31Å; F269-A298 HydrophobicContact CZ-CB 4.41Å; N294-A298 WeakPolarHBondContact O-CB 3.37Å; N294-A298 PolarHBondContact O-N 3.18Å; D295-A298 PolarHBondContact O-N 3.44Å; A298-T300 VanDerWaalsContact C-N 3.31Å; A298-T300 PolarHBondContact O-N 3.1Å; A298-Y302 PolarHBondContact O-N 2.93Å; A298-Y302 VanDerWaalsContact O-N 3.08Å |
| 299 | Q | 93.2 | Very high | 91 | Very high | 86 Ų | 86 | 47.6 Ų | 47.6 | 40% | 0.402 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.5 | -35.4 | 175.9 | 176.3 | 164.7 | -51.5 | 0 | 0 | 112.2 | F229 D295 V297 R303 | F229-Q299 HydrophobicContact CZ-CG 4.07Å; D295-Q299 VanDerWaalsContact O-CB 3.25Å; D295-Q299 WeakPolarHBondContact O-CB 3.29Å; D295-Q299 PolarHBondContact O-N 3.34Å; V297-Q299 PolarHBondContact O-N 3.3Å; Q299-R303 WeakPolarHBondContact O-CD 3.12Å; Q299-R303 WeakPolarHBondContact O-CG 3.37Å; Q299-R303 PolarHBondContact O-N 2.72Å |
| 300 | T | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -76 | -43.1 | 179.9 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | L222 W235 L262 M292 C296 V297 A298 R303 F304 | L222-T300 HydrophobicContact CD2-CG2 3.79Å; W235-T300 HydrophobicContact CH2-CG2 4.13Å; W235-T300 HydrophobicContact CZ2-CG2 4.43Å; L262-T300 HydrophobicContact CD1-CG2 4.3Å; L262-T300 HydrophobicContact CD2-CG2 4.26Å; M292-T300 HydrophobicContact CE-CG2 3.93Å; M292-T300 VanDerWaalsContact CE-OG1 3.22Å; M292-T300 WeakPolarHBondContact CE-OG1 3.3Å; C296-T300 WeakPolarHBondContact O-CB 3.33Å; C296-T300 PolarHBondContact O-N 3.26Å; C296-T300 PolarHBondContact O-OG1 3.02Å; V297-T300 PolarHBondContact O-N 2.77Å; A298-T300 VanDerWaalsContact C-N 3.31Å; A298-T300 PolarHBondContact O-N 3.1Å; T300-R303 PolarHBondContact O-N 3.2Å; T300-F304 HydrophobicContact CG2-CD2 3.75Å; T300-F304 HydrophobicContact CG2-CE2 4.01Å; T300-F304 PolarHBondContact O-N 3.28Å |
| 301 | W | 94.6 | Very high | 91.7 | Very high | 23 Ų | 23 | 39.5 Ų | 39.5 | 9% | 0.087 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53.1 | -53.7 | 171.7 | 174.8 | 80.5 | 0 | 0 | 0 | 111.4 | L262 T263 L266 V297 R303 F304 L305 F366 V643 | L262-W301 HydrophobicContact CB-CB 4.05Å; L262-W301 HydrophobicContact CB-CG 4.31Å; T263-W301 PolarHBondContact OG1-NE1 3.27Å; L266-W301 HydrophobicContact CD2-CD2 3.54Å; L266-W301 HydrophobicContact CD2-CE3 3.78Å; L266-W301 HydrophobicContact CD2-CG 3.94Å; L266-W301 HydrophobicContact CD2-CH2 4.33Å; L266-W301 HydrophobicContact CD2-CZ2 4.12Å; L266-W301 HydrophobicContact CD2-CZ3 4.17Å; V297-W301 VanDerWaalsContact O-CB 3.3Å; V297-W301 WeakPolarHBondContact O-CB 3.46Å; V297-W301 PolarHBondContact O-N 3.09Å; W301-R303 VanDerWaalsContact C-N 3.27Å; W301-R303 PolarHBondContact O-N 2.97Å; W301-F304 PolarHBondContact O-N 3.18Å; W301-L305 HydrophobicContact CH2-CD2 3.91Å; W301-L305 HydrophobicContact CZ2-CD2 3.71Å; W301-L305 VanDerWaalsContact O-CB 3.29Å; W301-L305 WeakPolarHBondContact O-CB 3.46Å; W301-L305 PolarHBondContact O-N 3.35Å; W301-F366 HydrophobicContact CH2-CZ 4.21Å; W301-F366 AromaticContact CZ2-CE2 3.89Å; W301-F366 HydrophobicContact CZ2-CE2 3.89Å; W301-F366 AromaticContact CZ2-CZ 3.73Å; W301-F366 HydrophobicContact CZ2-CZ 3.73Å; W301-V643 HydrophobicContact CH2-CG1 3.93Å; W301-V643 HydrophobicContact CH2-CG2 4.29Å; W301-V643 HydrophobicContact CZ2-CG1 4.45Å |
| 302 | Y | 93.4 | Very high | 91.9 | Very high | 129 Ų | 129 | 37.3 Ų | 37.3 | 51% | 0.506 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62 | -34.9 | -178.7 | -174.4 | -99.2 | 0 | 0 | 0 | 113 | A298 R306 | A298-Y302 PolarHBondContact O-N 2.93Å; A298-Y302 VanDerWaalsContact O-N 3.08Å; Y302-R306 HydrophobicContact CE1-CG 4.34Å; Y302-R306 HydrophobicContact CE2-CG 4.44Å; Y302-R306 PolarHBondContact O-N 3.33Å |
| 303 | R | 93.6 | Very high | 91.8 | Very high | 73 Ų | 73 | 37.5 Ų | 37.5 | 28% | 0.275 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -73.8 | -41 | 177.4 | -70.7 | 171.8 | -173.5 | -87.7 | 1 | 112.6 | W235 Q299 T300 W301 M307 | W235-R303 HydrophobicContact CD2-CB 4.19Å; W235-R303 HydrophobicContact CD2-CG 4.41Å; W235-R303 VanDerWaalsContact CE2-CD 3.48Å; W235-R303 HydrophobicContact CE3-CB 3.81Å; W235-R303 HydrophobicContact CE3-CG 4.48Å; W235-R303 HydrophobicContact CH2-CB 3.9Å; W235-R303 HydrophobicContact CZ2-CB 4.27Å; W235-R303 HydrophobicContact CZ3-CB 3.66Å; Q299-R303 WeakPolarHBondContact O-CD 3.12Å; Q299-R303 WeakPolarHBondContact O-CG 3.37Å; Q299-R303 PolarHBondContact O-N 2.72Å; T300-R303 PolarHBondContact O-N 3.2Å; W301-R303 VanDerWaalsContact C-N 3.27Å; W301-R303 PolarHBondContact O-N 2.97Å; R303-M307 PolarHBondContact O-N 2.95Å |
| 304 | F | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 172.3 | -97.5 | -86.3 | 0 | 0 | 0 | 111.6 | F218 L222 W235 W255 V258 L262 T300 W301 R306 M307 | F218-F304 HydrophobicContact CB-CE1 4.16Å; F218-F304 HydrophobicContact CB-CZ 4.2Å; F218-F304 AromaticContact CD1-CE1 3.68Å; F218-F304 HydrophobicContact CD1-CE1 3.68Å; F218-F304 HydrophobicContact CD1-CZ 4.04Å; F218-F304 HydrophobicContact CD2-CE1 4.19Å; F218-F304 HydrophobicContact CE1-CE1 4.05Å; F218-F304 AromaticContact CG-CE1 3.76Å; F218-F304 HydrophobicContact CG-CE1 3.76Å; F218-F304 HydrophobicContact CG-CZ 4.2Å; F218-F304 HydrophobicContact CZ-CE1 4.45Å; L222-F304 HydrophobicContact CD2-CD2 4.39Å; L222-F304 HydrophobicContact CD2-CE2 3.85Å; L222-F304 HydrophobicContact CD2-CZ 4.4Å; L222-F304 HydrophobicContact CG-CE2 4.34Å; L222-F304 HydrophobicContact CG-CZ 4.46Å; W235-F304 AromaticContact CH2-CD2 3.84Å; W235-F304 HydrophobicContact CH2-CD2 3.84Å; W235-F304 AromaticContact CH2-CE2 3.81Å; W235-F304 HydrophobicContact CH2-CE2 3.81Å; W235-F304 HydrophobicContact CZ3-CD2 4.11Å; W235-F304 HydrophobicContact CZ3-CE2 4.16Å; W255-F304 PolarHBondContact NE1-O 2.77Å; V258-F304 HydrophobicContact CB-CD1 4.19Å; V258-F304 HydrophobicContact CB-CE1 4.23Å; V258-F304 HydrophobicContact CG1-CD1 3.46Å; V258-F304 VanDerWaalsContact CG1-CD1 3.46Å; V258-F304 HydrophobicContact CG1-CD2 4.21Å; V258-F304 HydrophobicContact CG1-CE1 3.55Å; V258-F304 HydrophobicContact CG1-CE2 4.27Å; V258-F304 HydrophobicContact CG1-CG 3.81Å; V258-F304 HydrophobicContact CG1-CZ 3.96Å; V258-F304 HydrophobicContact CG2-CE1 4.41Å; L262-F304 HydrophobicContact CD1-CB 3.98Å; L262-F304 HydrophobicContact CD1-CD2 4.01Å; L262-F304 HydrophobicContact CD1-CG 4.07Å; T300-F304 HydrophobicContact CG2-CD2 3.75Å; T300-F304 HydrophobicContact CG2-CE2 4.01Å; T300-F304 PolarHBondContact O-N 3.28Å; W301-F304 PolarHBondContact O-N 3.18Å; F304-R306 VanDerWaalsContact C-N 3.31Å; F304-R306 PolarHBondContact O-N 2.74Å; F304-M307 HydrophobicContact CD1-CE 3.4Å; F304-M307 VanDerWaalsContact CD1-CE 3.4Å; F304-M307 HydrophobicContact CD1-SD 4.17Å; F304-M307 HydrophobicContact CD2-CE 4.22Å; F304-M307 HydrophobicContact CE1-CE 3.4Å; F304-M307 VanDerWaalsContact CE1-CE 3.4Å; F304-M307 HydrophobicContact CE1-SD 4.17Å; F304-M307 HydrophobicContact CE2-CE 4.23Å; F304-M307 HydrophobicContact CG-CE 3.84Å; F304-M307 HydrophobicContact CZ-CE 3.84Å; F304-M307 WeakPolarHBondContact O-CB 3.43Å; F304-M307 PolarHBondContact O-N 3.02Å |
| 305 | L | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.5 | -42.4 | 179.8 | -174.1 | 57.5 | 0 | 0 | 0 | 111.5 | W255 N259 W301 M307 V643 F644 W647 | W255-L305 HydrophobicContact CZ2-CD1 4.17Å; W255-L305 WeakPolarHBondContact CZ2-O 3.35Å; N259-L305 VanDerWaalsContact OD1-CA 3.24Å; N259-L305 WeakPolarHBondContact OD1-CA 3.43Å; N259-L305 PolarHBondContact OD1-N 2.7Å; W301-L305 HydrophobicContact CH2-CD2 3.91Å; W301-L305 HydrophobicContact CZ2-CD2 3.71Å; W301-L305 VanDerWaalsContact O-CB 3.29Å; W301-L305 WeakPolarHBondContact O-CB 3.46Å; W301-L305 PolarHBondContact O-N 3.35Å; L305-M307 VanDerWaalsContact C-N 3.3Å; L305-M307 PolarHBondContact O-N 3.44Å; L305-V643 HydrophobicContact CD2-CG1 3.6Å; L305-F644 HydrophobicContact CD1-CE1 4.07Å; L305-F644 HydrophobicContact CD2-CE1 4.1Å; L305-F644 HydrophobicContact CD2-CZ 4.39Å; L305-W647 HydrophobicContact CD1-CH2 4.23Å; L305-W647 HydrophobicContact CD1-CZ3 3.84Å; L305-W647 HydrophobicContact CG-CH2 3.97Å; L305-W647 HydrophobicContact CG-CZ3 3.98Å; L305-W647 WeakPolarHBondContact O-CH2 3.37Å |
| 306 | R | 91.7 | Very high | 91.1 | Very high | 57 Ų | 57 | 25.5 Ų | 25.5 | 22% | 0.215 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 3.8 | 178.2 | -66.3 | -75.6 | 170.4 | 170.3 | -9 | 114.4 | Q239 Y302 F304 G309 V643 E646 | Q239-R306 PolarHBondContact NE2-O 3.24Å; Y302-R306 HydrophobicContact CE1-CG 4.34Å; Y302-R306 HydrophobicContact CE2-CG 4.44Å; Y302-R306 PolarHBondContact O-N 3.33Å; F304-R306 VanDerWaalsContact C-N 3.31Å; F304-R306 PolarHBondContact O-N 2.74Å; R306-G309 PolarHBondContact O-N 2.67Å; R306-V643 PolarHBondContact NH2-O 3.2Å; R306-E646 IonicContact CZ-OE2 3.98Å; R306-E646 IonicContact NH1-OE2 3.47Å; R306-E646 PolarHBondContact NH1-OE2 3.04Å; R306-E646 IonicContact NH2-OE2 2.72Å; R306-E646 PolarHBondContact NH2-OE2 3.46Å |
| 307 | M | 91.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -42.3 | -171.2 | -173.6 | 179.9 | -69.1 | 0 | 0 | 114.6 | F218 W235 L238 C242 R303 F304 L305 G309 | F218-M307 HydrophobicContact CE1-CE 4.3Å; F218-M307 HydrophobicContact CE1-SD 3.61Å; F218-M307 HydrophobicContact CZ-SD 3.83Å; W235-M307 HydrophobicContact CZ3-CE 4.11Å; L238-M307 HydrophobicContact CD1-SD 4.32Å; L238-M307 HydrophobicContact CD2-CE 3.35Å; L238-M307 HydrophobicContact CD2-SD 4.16Å; L238-M307 HydrophobicContact CG-CE 3.82Å; L238-M307 HydrophobicContact CG-CG 4.49Å; L238-M307 HydrophobicContact CG-SD 4.03Å; C242-M307 HydrophobicContact CB-CG 3.87Å; C242-M307 HydrophobicContact CB-SD 4.39Å; C242-M307 VanDerWaalsContact SG-SD 3.62Å; R303-M307 PolarHBondContact O-N 2.95Å; F304-M307 HydrophobicContact CD1-CE 3.4Å; F304-M307 VanDerWaalsContact CD1-CE 3.4Å; F304-M307 HydrophobicContact CD1-SD 4.17Å; F304-M307 HydrophobicContact CD2-CE 4.22Å; F304-M307 HydrophobicContact CE1-CE 3.4Å; F304-M307 VanDerWaalsContact CE1-CE 3.4Å; F304-M307 HydrophobicContact CE1-SD 4.17Å; F304-M307 HydrophobicContact CE2-CE 4.23Å; F304-M307 HydrophobicContact CG-CE 3.84Å; F304-M307 HydrophobicContact CZ-CE 3.84Å; F304-M307 WeakPolarHBondContact O-CB 3.43Å; F304-M307 PolarHBondContact O-N 3.02Å; L305-M307 VanDerWaalsContact C-N 3.3Å; L305-M307 PolarHBondContact O-N 3.44Å; M307-G309 PolarHBondContact O-N 3.32Å |
| 308 | I | 90.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 2.2 | 179 | 63.5 | 171.3 | 0 | 0 | 0 | 113.6 | R246 L251 W255 P311 | R246-I308 WeakPolarHBondContact CD-O 3.33Å; R246-I308 PolarHBondContact NH1-O 3.28Å; L251-I308 HydrophobicContact CD2-CG2 4.29Å; L251-I308 HydrophobicContact CG-CG2 4.48Å; W255-I308 HydrophobicContact CD2-CD1 3.93Å; W255-I308 HydrophobicContact CD2-CG1 4.3Å; W255-I308 HydrophobicContact CD2-CG2 4.26Å; W255-I308 HydrophobicContact CE3-CD1 3.83Å; W255-I308 HydrophobicContact CG-CG2 4.08Å; W255-I308 HydrophobicContact CH2-CD1 3.69Å; W255-I308 HydrophobicContact CH2-CG1 4.3Å; W255-I308 HydrophobicContact CZ2-CD1 3.75Å; W255-I308 HydrophobicContact CZ2-CG1 3.85Å; W255-I308 HydrophobicContact CZ3-CD1 3.72Å; I308-P311 HydrophobicContact CD1-CG 4.27Å |
| 309 | G | 88.8 | Confident | 89.4 | Confident | 24 Ų | 24 | 29.7 Ų | 29.7 | 25% | 0.247 | 14% | 0.143 | C | C | . | . | trans | 71.2 | -147.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112 | R306 M307 P311 | R306-G309 PolarHBondContact O-N 2.67Å; M307-G309 PolarHBondContact O-N 3.32Å; G309-P311 WeakPolarHBondContact O-CD 3.39Å | ||
| 310 | N | 89.1 | Confident | 88.9 | Confident | 36 Ų | 36 | 26 Ų | 26 | 19% | 0.193 | 13% | 0.126 | C | C | . | . | trans | -81.8 | 121.8 | 173.5 | -176.5 | -17.3 | 0 | 0 | 0 | 110.1 | T312 A313 W647 E650 | N310-T312 PolarHBondContact ND2-OG1 3.35Å; N310-T312 PolarHBondContact O-N 3.34Å; N310-T312 PolarHBondContact OD1-N 3.13Å; N310-T312 PolarHBondContact OD1-OG1 2.96Å; N310-A313 VanDerWaalsContact O-CB 3.32Å; N310-A313 WeakPolarHBondContact O-CB 3.21Å; N310-A313 PolarHBondContact O-N 3.03Å; N310-W647 VanDerWaalsContact CG-CD1 3.47Å; N310-W647 VanDerWaalsContact OD1-CD1 3.26Å; N310-E650 PolarHBondContact ND2-OE2 3.29Å | ||
| 311 | P | 91.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -58.7 | -27 | 179.8 | -26.1 | 35.5 | 0 | 0 | 0 | 115 | I308 G309 A313 L314 A355 M356 I359 W647 | I308-P311 HydrophobicContact CD1-CG 4.27Å; G309-P311 WeakPolarHBondContact O-CD 3.39Å; P311-A313 PolarHBondContact O-N 3.4Å; P311-A313 VanDerWaalsContact O-N 3.11Å; P311-L314 VanDerWaalsContact O-CB 3.28Å; P311-L314 WeakPolarHBondContact O-CB 3.43Å; P311-L314 VanDerWaalsContact O-CG 3.31Å; P311-L314 WeakPolarHBondContact O-CG 3.31Å; P311-L314 PolarHBondContact O-N 3.09Å; P311-A355 HydrophobicContact CB-CB 4.41Å; P311-M356 HydrophobicContact CB-CE 3.38Å; P311-M356 HydrophobicContact CG-CE 3.86Å; P311-I359 HydrophobicContact CG-CD1 3.9Å; P311-W647 HydrophobicContact CG-CB 4.43Å; P311-W647 HydrophobicContact CG-CD2 4.26Å; P311-W647 HydrophobicContact CG-CG 4.24Å |
| 312 | T | 88.2 | Confident | 87.5 | Confident | 18 Ų | 18 | 32.2 Ų | 32.2 | 11% | 0.11 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -66.4 | -14.1 | -179 | 67.7 | 0 | 0 | 0 | 0 | 113.2 | N310 L314 C315 E650 A651 | N310-T312 PolarHBondContact ND2-OG1 3.35Å; N310-T312 PolarHBondContact O-N 3.34Å; N310-T312 PolarHBondContact OD1-N 3.13Å; N310-T312 PolarHBondContact OD1-OG1 2.96Å; T312-L314 PolarHBondContact O-N 2.92Å; T312-C315 PolarHBondContact O-N 3.35Å; T312-E650 HydrophobicContact CG2-CB 3.62Å; T312-E650 PolarHBondContact OG1-OE2 3.09Å; T312-A651 HydrophobicContact CG2-CB 4.17Å |
| 313 | A | 86.7 | Confident | 86.7 | Confident | 14 Ų | 14 | 26.6 Ų | 26.6 | 12% | 0.116 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -61.1 | -27 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113 | N310 P311 C315 S316 I319 | N310-A313 VanDerWaalsContact O-CB 3.32Å; N310-A313 WeakPolarHBondContact O-CB 3.21Å; N310-A313 PolarHBondContact O-N 3.03Å; P311-A313 PolarHBondContact O-N 3.4Å; P311-A313 VanDerWaalsContact O-N 3.11Å; A313-C315 PolarHBondContact O-N 3.24Å; A313-S316 WeakPolarHBondContact O-CB 3.39Å; A313-S316 PolarHBondContact O-N 3.43Å; A313-S316 VanDerWaalsContact O-N 3.1Å; A313-I319 HydrophobicContact CB-CG2 4.31Å |
| 314 | L | 88.2 | Confident | 85.8 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -62.5 | -32.1 | 175.8 | -63.7 | 169.3 | 0 | 0 | 0 | 111.8 | R246 P311 T312 S316 I320 L348 I351 F352 A355 | R246-L314 HydrophobicContact CB-CD2 3.94Å; R246-L314 HydrophobicContact CG-CD2 4.23Å; R246-L314 WeakPolarHBondContact O-CD2 3.38Å; P311-L314 VanDerWaalsContact O-CB 3.28Å; P311-L314 WeakPolarHBondContact O-CB 3.43Å; P311-L314 VanDerWaalsContact O-CG 3.31Å; P311-L314 WeakPolarHBondContact O-CG 3.31Å; P311-L314 PolarHBondContact O-N 3.09Å; T312-L314 PolarHBondContact O-N 2.92Å; L314-S316 PolarHBondContact O-N 3.3Å; L314-S316 VanDerWaalsContact O-N 3.12Å; L314-I320 HydrophobicContact CD2-CD1 4.29Å; L314-L348 HydrophobicContact CB-CD2 4.42Å; L314-L348 HydrophobicContact CD2-CD2 3.89Å; L314-I351 HydrophobicContact CD1-CG2 4.08Å; L314-I351 HydrophobicContact CD2-CG2 4.11Å; L314-F352 HydrophobicContact CB-CB 4.11Å; L314-F352 HydrophobicContact CB-CD2 4.39Å; L314-F352 HydrophobicContact CD1-CB 4.22Å; L314-F352 HydrophobicContact CD1-CD2 4.43Å; L314-A355 HydrophobicContact CD1-CB 4.25Å |
| 315 | C | 86.3 | Confident | 84.8 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -78.3 | 12.7 | 176.6 | -49.3 | 0 | 0 | 0 | 0 | 113.3 | T312 A313 F352 I654 R663 Y709 | T312-C315 PolarHBondContact O-N 3.35Å; A313-C315 PolarHBondContact O-N 3.24Å; C315-F352 VanDerWaalsContact SG-CD1 3.55Å; C315-F352 VanDerWaalsContact SG-CD2 3.53Å; C315-F352 WeakPolarHBondContact SG-CG 3.3Å; C315-I654 HydrophobicContact CB-CD1 4.06Å; C315-I654 VanDerWaalsContact SG-CD1 3.51Å; C315-R663 PolarHBondContact O-NH2 2.72Å; C315-Y709 HydrophobicContact CB-CD1 4.01Å; C315-Y709 HydrophobicContact CB-CE1 4.15Å; C315-Y709 HydrophobicContact CB-CG 4.31Å; C315-Y709 WeakPolarHBondContact SG-CD1 3.49Å |
| 316 | S | 84.7 | Confident | 84.1 | Confident | 15 Ų | 15 | 29.4 Ų | 29.4 | 11% | 0.105 | 16% | 0.157 | C | C | . | . | trans | -130.4 | 83.2 | 178.9 | -57.9 | 0 | 0 | 0 | 0 | 109.1 | A313 L314 H318 I319 R663 | A313-S316 WeakPolarHBondContact O-CB 3.39Å; A313-S316 PolarHBondContact O-N 3.43Å; A313-S316 VanDerWaalsContact O-N 3.1Å; L314-S316 PolarHBondContact O-N 3.3Å; L314-S316 VanDerWaalsContact O-N 3.12Å; S316-H318 PolarHBondContact O-N 2.91Å; S316-H318 VanDerWaalsContact O-N 3.11Å; S316-I319 WeakPolarHBondContact O-CB 3.18Å; S316-I319 PolarHBondContact O-N 3.18Å; S316-R663 PolarHBondContact OG-NH2 2.94Å | ||
| 317 | P | 82 | Confident | 83.5 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -49.4 | -41.9 | -177.8 | -31.3 | 36.9 | 0 | 0 | 0 | 113.3 | I319 I320 S321 H340 L348 L700 L704 | P317-I319 PolarHBondContact O-N 3.24Å; P317-I319 VanDerWaalsContact O-N 3.11Å; P317-I320 PolarHBondContact O-N 2.95Å; P317-I320 VanDerWaalsContact O-N 3.09Å; P317-S321 WeakPolarHBondContact O-CB 3.27Å; P317-S321 PolarHBondContact O-N 3.18Å; P317-S321 PolarHBondContact O-OG 2.85Å; P317-H340 HydrophobicContact CB-CB 4.09Å; P317-L348 HydrophobicContact CB-CD1 4.3Å; P317-L348 HydrophobicContact CG-CD1 4.21Å; P317-L700 HydrophobicContact CB-CD2 4.46Å; P317-L700 HydrophobicContact CG-CD2 4.34Å; P317-L704 HydrophobicContact CB-CD1 4.37Å; P317-L704 HydrophobicContact CG-CB 4.47Å; P317-L704 HydrophobicContact CG-CD1 4.16Å |
| 318 | H | 78.9 | Confident | 82.8 | Confident | 50 Ų | 50 | 35.2 Ų | 35.2 | 23% | 0.231 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.6 | 0.2 | 176.6 | -32 | -78.4 | 0 | 0 | 0 | 115.8 | S316 S321 K322 H340 | S316-H318 PolarHBondContact O-N 2.91Å; S316-H318 VanDerWaalsContact O-N 3.11Å; H318-S321 WeakPolarHBondContact CA-OG 3.29Å; H318-K322 WeakPolarHBondContact O-CD 3.46Å; H318-K322 WeakPolarHBondContact O-CE 3.32Å; H318-K322 VanDerWaalsContact O-CG 3.23Å; H318-K322 WeakPolarHBondContact O-CG 3.41Å; H318-H340 AromaticContact CE1-CD2 3.98Å; H318-H340 AromaticContact CE1-CE1 3.73Å; H318-H340 AromaticContact CE1-CG 3.53Å; H318-H340 AromaticContact CE1-ND1 3.36Å; H318-H340 PolarHBondContact CE1-ND1 3.23Å; H318-H340 AromaticContact ND1-CE1 3.86Å; H318-H340 AromaticContact ND1-CG 3.44Å; H318-H340 AromaticContact ND1-ND1 3.1Å; H318-H340 PolarHBondContact ND1-ND1 3.04Å |
| 319 | I | 82.1 | Confident | 82.1 | Confident | 85 Ų | 85 | 37 Ų | 37 | 44% | 0.436 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -94.4 | -39.8 | 167.6 | -62.7 | -177.1 | 0 | 0 | 0 | 109.5 | A313 S316 P317 | A313-I319 HydrophobicContact CB-CG2 4.31Å; S316-I319 WeakPolarHBondContact O-CB 3.18Å; S316-I319 PolarHBondContact O-N 3.18Å; P317-I319 PolarHBondContact O-N 3.24Å; P317-I319 VanDerWaalsContact O-N 3.11Å |
| 320 | I | 83.2 | Confident | 81.5 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 5% | 0.046 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -74 | -40.1 | 176.9 | -49.5 | -55.9 | 0 | 0 | 0 | 110.7 | R246 H247 L314 P317 K322 F326 L345 L348 | R246-I320 HydrophobicContact CB-CD1 4.19Å; H247-I320 HydrophobicContact CB-CG2 4.07Å; L314-I320 HydrophobicContact CD2-CD1 4.29Å; P317-I320 PolarHBondContact O-N 2.95Å; P317-I320 VanDerWaalsContact O-N 3.09Å; I320-K322 PolarHBondContact O-N 3.21Å; I320-F326 HydrophobicContact CG2-CE2 4.48Å; I320-F326 WeakPolarHBondContact O-CD2 3.25Å; I320-L345 HydrophobicContact CB-CD2 4.43Å; I320-L345 HydrophobicContact CG2-CD2 4Å; I320-L348 HydrophobicContact CG1-CD1 4.39Å; I320-L348 HydrophobicContact CG1-CD2 4.1Å |
| 321 | S | 81.7 | Confident | 80.9 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 6.5 | -179.5 | 82.4 | 0 | 0 | 0 | 0 | 114.8 | P317 H318 S323 F326 T339 | P317-S321 WeakPolarHBondContact O-CB 3.27Å; P317-S321 PolarHBondContact O-N 3.18Å; P317-S321 PolarHBondContact O-OG 2.85Å; H318-S321 WeakPolarHBondContact CA-OG 3.29Å; S321-S323 VanDerWaalsContact C-N 3.32Å; S321-F326 VanDerWaalsContact O-CB 3.25Å; S321-F326 WeakPolarHBondContact O-CB 3.46Å; S321-T339 WeakPolarHBondContact CB-O 3.46Å; S321-T339 WeakPolarHBondContact CB-OG1 3.46Å; S321-T339 WeakPolarHBondContact O-CB 3.28Å; S321-T339 PolarHBondContact O-OG1 2.9Å; S321-T339 PolarHBondContact OG-OG1 3.39Å |
| 322 | K | 77.2 | Confident | 80.1 | Confident | 153 Ų | 153 | 46.4 Ų | 46.4 | 67% | 0.665 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 1.4 | 175.9 | -93.8 | 173.8 | -171.8 | 170.2 | 0 | 114.4 | H318 I320 | H318-K322 WeakPolarHBondContact O-CD 3.46Å; H318-K322 WeakPolarHBondContact O-CE 3.32Å; H318-K322 VanDerWaalsContact O-CG 3.23Å; H318-K322 WeakPolarHBondContact O-CG 3.41Å; I320-K322 PolarHBondContact O-N 3.21Å |
| 323 | S | 76.7 | Confident | 79.2 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 8% | 0.077 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -62.6 | 151.7 | 174.9 | 81.8 | 0 | 0 | 0 | 0 | 111.3 | S321 H325 F326 V327 | S321-S323 VanDerWaalsContact C-N 3.32Å; S323-H325 PolarHBondContact O-N 2.79Å; S323-H325 PolarHBondContact OG-N 3.25Å; S323-F326 PolarHBondContact O-N 3.37Å; S323-F326 WeakPolarHBondContact OG-CD2 3.2Å; S323-F326 PolarHBondContact OG-N 3.31Å; S323-V327 WeakPolarHBondContact O-CG2 3.33Å; S323-V327 PolarHBondContact O-N 3.41Å; S323-V327 VanDerWaalsContact O-N 3.12Å |
| 324 | S | 74.4 | Confident | 77.8 | Confident | 73 Ų | 73 | 58.4 Ų | 58.4 | 51% | 0.51 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -46.8 | -42.4 | 168.7 | 41.3 | 0 | 0 | 0 | 0 | 112.1 | V327 Q328 | S324-V327 PolarHBondContact O-N 2.78Å; S324-Q328 WeakPolarHBondContact O-CB 3.1Å; S324-Q328 PolarHBondContact O-N 2.84Å |
| 325 | H | 74.7 | Confident | 76.6 | Confident | 58 Ų | 58 | 67.8 Ų | 67.8 | 27% | 0.269 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -76.2 | -35 | -175.1 | -56.8 | -70.3 | 0 | 0 | 0 | 113.6 | P199 S323 Q328 W329 | P199-H325 HydrophobicContact CG-CB 4.36Å; S323-H325 PolarHBondContact O-N 2.79Å; S323-H325 PolarHBondContact OG-N 3.25Å; H325-Q328 PolarHBondContact O-N 3.05Å; H325-W329 WeakPolarHBondContact O-CB 3.35Å; H325-W329 PolarHBondContact O-N 2.91Å |
| 326 | F | 78.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.6 | -39 | 170.9 | -82.5 | -65.3 | 0 | 0 | 0 | 111.7 | P199 H247 I320 S321 S323 A330 T339 H342 L345 | P199-F326 HydrophobicContact CB-CD1 4.01Å; P199-F326 HydrophobicContact CB-CE1 3.79Å; P199-F326 HydrophobicContact CB-CZ 4.46Å; P199-F326 HydrophobicContact CG-CD1 3.67Å; P199-F326 HydrophobicContact CG-CE1 3.86Å; P199-F326 HydrophobicContact CG-CG 4.07Å; P199-F326 HydrophobicContact CG-CZ 4.4Å; H247-F326 HydrophobicContact CB-CZ 4.41Å; I320-F326 HydrophobicContact CG2-CE2 4.48Å; I320-F326 WeakPolarHBondContact O-CD2 3.25Å; S321-F326 VanDerWaalsContact O-CB 3.25Å; S321-F326 WeakPolarHBondContact O-CB 3.46Å; S323-F326 PolarHBondContact O-N 3.37Å; S323-F326 WeakPolarHBondContact OG-CD2 3.2Å; S323-F326 PolarHBondContact OG-N 3.31Å; F326-A330 WeakPolarHBondContact O-CB 3.25Å; F326-A330 PolarHBondContact O-N 3.45Å; F326-A330 VanDerWaalsContact O-N 3.07Å; F326-T339 HydrophobicContact CB-CG2 4.5Å; F326-H342 HydrophobicContact CD1-CB 4.06Å; F326-H342 HydrophobicContact CE1-CB 3.73Å; F326-H342 AromaticContact CE1-CG 3.71Å; F326-H342 AromaticContact CE1-ND1 3.85Å; F326-L345 HydrophobicContact CE1-CD1 4.25Å; F326-L345 HydrophobicContact CE1-CD2 4.1Å; F326-L345 HydrophobicContact CE1-CG 4.12Å; F326-L345 HydrophobicContact CE2-CD2 4.19Å; F326-L345 HydrophobicContact CZ-CD2 3.62Å; F326-L345 HydrophobicContact CZ-CG 4.14Å |
| 327 | V | 78.7 | Confident | 74.8 | Confident | 65 Ų | 65 | 70.7 Ų | 70.7 | 39% | 0.394 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 173.4 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | S323 S324 A330 L331 T339 | S323-V327 WeakPolarHBondContact O-CG2 3.33Å; S323-V327 PolarHBondContact O-N 3.41Å; S323-V327 VanDerWaalsContact O-N 3.12Å; S324-V327 PolarHBondContact O-N 2.78Å; V327-A330 PolarHBondContact O-N 2.97Å; V327-L331 HydrophobicContact CG1-CD1 3.97Å; V327-L331 HydrophobicContact CG1-CG 4.49Å; V327-L331 VanDerWaalsContact O-CG 3.31Å; V327-L331 WeakPolarHBondContact O-CG 3.24Å; V327-L331 PolarHBondContact O-N 3.44Å; V327-T339 HydrophobicContact CG2-CG2 4.07Å |
| 328 | Q | 75.7 | Confident | 74.4 | Confident | 117 Ų | 117 | 74.4 Ų | 74.4 | 55% | 0.547 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 176.2 | -173.8 | 178.2 | 3.1 | 0 | 0 | 111.7 | S324 H325 A330 L331 T332 | S324-Q328 WeakPolarHBondContact O-CB 3.1Å; S324-Q328 PolarHBondContact O-N 2.84Å; H325-Q328 PolarHBondContact O-N 3.05Å; Q328-A330 PolarHBondContact O-N 3.47Å; Q328-L331 PolarHBondContact O-N 2.95Å; Q328-T332 WeakPolarHBondContact O-CG2 3.45Å; Q328-T332 PolarHBondContact O-N 3.11Å; Q328-T332 PolarHBondContact O-OG1 2.88Å; Q328-T332 VanDerWaalsContact O-OG1 3.13Å |
| 329 | W | 76.4 | Confident | 74.4 | Confident | 39 Ų | 39 | 73.4 Ų | 73.4 | 15% | 0.148 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55.4 | -49.9 | 175.1 | 173.8 | 91.7 | 0 | 0 | 0 | 111.6 | P199 H325 L331 T332 H333 A337 H342 | P199-W329 HydrophobicContact CG-CB 4.22Å; H325-W329 WeakPolarHBondContact O-CB 3.35Å; H325-W329 PolarHBondContact O-N 2.91Å; W329-L331 VanDerWaalsContact C-N 3.35Å; W329-L331 PolarHBondContact O-N 3.43Å; W329-T332 WeakPolarHBondContact CA-OG1 3.48Å; W329-T332 CarbonylContact O-C 3.6Å; W329-T332 PolarHBondContact O-N 3.24Å; W329-T332 VanDerWaalsContact O-N 3.08Å; W329-T332 PolarHBondContact O-OG1 2.9Å; W329-H333 AromaticContact CE2-CE1 3.41Å; W329-H333 VanDerWaalsContact CE2-CE1 3.41Å; W329-H333 AromaticContact CE2-CG 3.86Å; W329-H333 AromaticContact CE2-ND1 3.36Å; W329-H333 AromaticContact CE2-NE2 3.89Å; W329-H333 AromaticContact CH2-CD2 3.96Å; W329-H333 AromaticContact CZ2-CD2 3.58Å; W329-H333 AromaticContact CZ2-CE1 3.37Å; W329-H333 WeakPolarHBondContact CZ2-CE1 3.26Å; W329-H333 AromaticContact CZ2-CG 3.75Å; W329-H333 AromaticContact CZ2-ND1 3.61Å; W329-H333 AromaticContact CZ2-NE2 3.35Å; W329-H333 VanDerWaalsContact CZ2-NE2 3.35Å; W329-H333 WeakPolarHBondContact CZ2-NE2 3.45Å; W329-H333 AromaticContact NE1-CE1 3.34Å; W329-H333 PolarHBondContact NE1-CE1 2.84Å; W329-H333 VanDerWaalsContact NE1-CE1 3.34Å; W329-H333 AromaticContact NE1-ND1 3.41Å; W329-H333 PolarHBondContact NE1-ND1 3.23Å; W329-H333 PolarHBondContact O-N 3.31Å; W329-A337 HydrophobicContact CH2-CB 3.74Å; W329-A337 HydrophobicContact CZ3-CB 3.85Å; W329-H342 AromaticContact CD2-CD2 3.64Å; W329-H342 AromaticContact CE2-CD2 3.36Å; W329-H342 HydrophobicContact CH2-CB 4.41Å; W329-H342 AromaticContact CZ2-CD2 3.59Å; W329-H342 HydrophobicContact CZ3-CB 4.32Å; W329-H342 AromaticContact NE1-CD2 3.58Å; W329-H342 AromaticContact NE1-NE2 3.74Å |
| 330 | A | 76.4 | Confident | 74 | Confident | 16 Ų | 16 | 69.8 Ų | 69.8 | 13% | 0.132 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | F326 V327 Q328 T332 H333 A337 T339 | F326-A330 WeakPolarHBondContact O-CB 3.25Å; F326-A330 PolarHBondContact O-N 3.45Å; F326-A330 VanDerWaalsContact O-N 3.07Å; V327-A330 PolarHBondContact O-N 2.97Å; Q328-A330 PolarHBondContact O-N 3.47Å; A330-T332 VanDerWaalsContact C-N 3.3Å; A330-T332 PolarHBondContact O-N 2.67Å; A330-H333 PolarHBondContact O-N 3.47Å; A330-A337 VanDerWaalsContact CB-O 3.22Å; A330-A337 WeakPolarHBondContact CB-O 3.48Å; A330-T339 HydrophobicContact CB-CG2 3.84Å |
| 331 | L | 76.7 | Confident | 73.7 | Confident | 144 Ų | 144 | 73.3 Ų | 73.3 | 75% | 0.754 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -66.4 | -28.3 | 176.1 | -70.8 | 169.1 | 0 | 0 | 0 | 113.4 | V327 Q328 W329 | V327-L331 HydrophobicContact CG1-CD1 3.97Å; V327-L331 HydrophobicContact CG1-CG 4.49Å; V327-L331 VanDerWaalsContact O-CG 3.31Å; V327-L331 WeakPolarHBondContact O-CG 3.24Å; V327-L331 PolarHBondContact O-N 3.44Å; Q328-L331 PolarHBondContact O-N 2.95Å; W329-L331 VanDerWaalsContact C-N 3.35Å; W329-L331 PolarHBondContact O-N 3.43Å |
| 332 | T | 73.8 | Confident | 73.6 | Confident | 100 Ų | 100 | 73.6 Ų | 73.6 | 61% | 0.613 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -89.2 | -8.3 | 177 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | Q328 W329 A330 | Q328-T332 WeakPolarHBondContact O-CG2 3.45Å; Q328-T332 PolarHBondContact O-N 3.11Å; Q328-T332 PolarHBondContact O-OG1 2.88Å; Q328-T332 VanDerWaalsContact O-OG1 3.13Å; W329-T332 WeakPolarHBondContact CA-OG1 3.48Å; W329-T332 CarbonylContact O-C 3.6Å; W329-T332 PolarHBondContact O-N 3.24Å; W329-T332 VanDerWaalsContact O-N 3.08Å; W329-T332 PolarHBondContact O-OG1 2.9Å; A330-T332 VanDerWaalsContact C-N 3.3Å; A330-T332 PolarHBondContact O-N 2.67Å |
| 333 | H | 69.4 | Low | 73.7 | Confident | 84 Ų | 84 | 70.1 Ų | 70.1 | 39% | 0.389 | 38% | 0.379 | S | S | . | . | trans | -82 | 122.6 | -174.4 | -123 | 56.9 | 0 | 0 | 0 | 111.7 | W329 A330 K335 G336 A337 | W329-H333 AromaticContact CE2-CE1 3.41Å; W329-H333 VanDerWaalsContact CE2-CE1 3.41Å; W329-H333 AromaticContact CE2-CG 3.86Å; W329-H333 AromaticContact CE2-ND1 3.36Å; W329-H333 AromaticContact CE2-NE2 3.89Å; W329-H333 AromaticContact CH2-CD2 3.96Å; W329-H333 AromaticContact CZ2-CD2 3.58Å; W329-H333 AromaticContact CZ2-CE1 3.37Å; W329-H333 WeakPolarHBondContact CZ2-CE1 3.26Å; W329-H333 AromaticContact CZ2-CG 3.75Å; W329-H333 AromaticContact CZ2-ND1 3.61Å; W329-H333 AromaticContact CZ2-NE2 3.35Å; W329-H333 VanDerWaalsContact CZ2-NE2 3.35Å; W329-H333 WeakPolarHBondContact CZ2-NE2 3.45Å; W329-H333 AromaticContact NE1-CE1 3.34Å; W329-H333 PolarHBondContact NE1-CE1 2.84Å; W329-H333 VanDerWaalsContact NE1-CE1 3.34Å; W329-H333 AromaticContact NE1-ND1 3.41Å; W329-H333 PolarHBondContact NE1-ND1 3.23Å; W329-H333 PolarHBondContact O-N 3.31Å; A330-H333 PolarHBondContact O-N 3.47Å; H333-K335 PolarHBondContact O-N 2.63Å; H333-G336 PolarHBondContact O-N 3.33Å; H333-A337 HydrophobicContact CB-CB 4.15Å | ||
| 334 | E | 58.3 | Low | 73.8 | Confident | 199 Ų | 199 | 70.5 Ų | 70.5 | 93% | 0.93 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -17.1 | -170.2 | -60.9 | -173.8 | 144.5 | 0 | 0 | 116.1 | ||
| 335 | K | 62.9 | Low | 74.4 | Confident | 198 Ų | 198 | 67 Ų | 67 | 86% | 0.861 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | 6.2 | -177.4 | -63.2 | -176.5 | 179.9 | 177 | 0 | 114.4 | H333 | H333-K335 PolarHBondContact O-N 2.63Š|
| 336 | G | 64.3 | Low | 74.8 | Confident | 63 Ų | 63 | 68.8 Ų | 68.8 | 65% | 0.649 | 37% | 0.365 | S | S | * | . | trans | 65.9 | 48 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | H333 | H333-G336 PolarHBondContact O-N 3.33Š| ||
| 337 | A | 68.9 | Low | 75.2 | Confident | 16 Ų | 16 | 73.3 Ų | 73.3 | 13% | 0.132 | 39% | 0.386 | C | S | . | . | trans | -69.3 | 141.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | W329 A330 H333 | W329-A337 HydrophobicContact CH2-CB 3.74Å; W329-A337 HydrophobicContact CZ3-CB 3.85Å; A330-A337 VanDerWaalsContact CB-O 3.22Å; A330-A337 WeakPolarHBondContact CB-O 3.48Å; H333-A337 HydrophobicContact CB-CB 4.15Å | ||
| 338 | E | 74.4 | Confident | 75.7 | Confident | 81 Ų | 81 | 70.2 Ų | 70.2 | 38% | 0.379 | 37% | 0.367 | S | S | . | . | trans | -78.5 | 149.5 | 175.6 | -58.7 | 178.9 | 111.8 | 0 | 0 | 111.6 | H340 Q341 | E338-H340 VanDerWaalsContact CD-CE1 3.41Å; E338-H340 PolarHBondContact O-N 3.31Å; E338-H340 VanDerWaalsContact O-N 3.09Å; E338-H340 IonicContact OE1-CE1 3.53Å; E338-H340 IonicContact OE2-CE1 3.95Å; E338-H340 PolarHBondContact OE2-CE1 3.17Å; E338-H340 IonicContact OE2-NE2 3.39Å; E338-H340 PolarHBondContact OE2-NE2 3.36Å; E338-H340 VanDerWaalsContact OE2-NE2 3.1Å; E338-Q341 HydrophobicContact CB-CG 4.07Å; E338-Q341 WeakPolarHBondContact O-CB 3.44Å; E338-Q341 PolarHBondContact O-N 3.29Å; E338-Q341 PolarHBondContact OE2-NE2 3.28Å | ||
| 339 | T | 77 | Confident | 76.4 | Confident | 30 Ų | 30 | 65.5 Ų | 65.5 | 18% | 0.184 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -55.4 | -33.2 | -174 | 62.8 | 0 | 0 | 0 | 0 | 114.4 | S321 F326 V327 A330 Q341 L345 | S321-T339 WeakPolarHBondContact CB-O 3.46Å; S321-T339 WeakPolarHBondContact CB-OG1 3.46Å; S321-T339 WeakPolarHBondContact O-CB 3.28Å; S321-T339 PolarHBondContact O-OG1 2.9Å; S321-T339 PolarHBondContact OG-OG1 3.39Å; F326-T339 HydrophobicContact CB-CG2 4.5Å; V327-T339 HydrophobicContact CG2-CG2 4.07Å; A330-T339 HydrophobicContact CB-CG2 3.84Å; T339-Q341 VanDerWaalsContact C-N 3.29Å; T339-Q341 PolarHBondContact O-N 3.02Å; T339-L345 WeakPolarHBondContact O-CD1 3.31Å |
| 340 | H | 74.4 | Confident | 77.1 | Confident | 9 Ų | 9 | 67.7 Ų | 67.7 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -80.7 | -3 | 179.5 | 59.1 | -95.8 | 0 | 0 | 0 | 114.4 | P317 H318 E338 H342 S699 | P317-H340 HydrophobicContact CB-CB 4.09Å; H318-H340 AromaticContact CE1-CD2 3.98Å; H318-H340 AromaticContact CE1-CE1 3.73Å; H318-H340 AromaticContact CE1-CG 3.53Å; H318-H340 AromaticContact CE1-ND1 3.36Å; H318-H340 PolarHBondContact CE1-ND1 3.23Å; H318-H340 AromaticContact ND1-CE1 3.86Å; H318-H340 AromaticContact ND1-CG 3.44Å; H318-H340 AromaticContact ND1-ND1 3.1Å; H318-H340 PolarHBondContact ND1-ND1 3.04Å; E338-H340 VanDerWaalsContact CD-CE1 3.41Å; E338-H340 PolarHBondContact O-N 3.31Å; E338-H340 VanDerWaalsContact O-N 3.09Å; E338-H340 IonicContact OE1-CE1 3.53Å; E338-H340 IonicContact OE2-CE1 3.95Å; E338-H340 PolarHBondContact OE2-CE1 3.17Å; E338-H340 IonicContact OE2-NE2 3.39Å; E338-H340 PolarHBondContact OE2-NE2 3.36Å; E338-H340 VanDerWaalsContact OE2-NE2 3.1Å; H340-H342 VanDerWaalsContact C-N 3.34Å; H340-S699 PolarHBondContact NE2-O 3.15Å; H340-S699 VanDerWaalsContact NE2-O 3.09Å |
| 341 | Q | 76.8 | Confident | 77.9 | Confident | 82 Ų | 82 | 66.9 Ų | 66.9 | 38% | 0.383 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -87.8 | -3.1 | 177.4 | -57.5 | 174.9 | 8.6 | 0 | 0 | 112.5 | E338 T339 | E338-Q341 HydrophobicContact CB-CG 4.07Å; E338-Q341 WeakPolarHBondContact O-CB 3.44Å; E338-Q341 PolarHBondContact O-N 3.29Å; E338-Q341 PolarHBondContact OE2-NE2 3.28Å; T339-Q341 VanDerWaalsContact C-N 3.29Å; T339-Q341 PolarHBondContact O-N 3.02Å |
| 342 | H | 79.9 | Confident | 78.7 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | trans | -62.1 | 132.3 | -176.4 | -169.7 | -91.5 | 0 | 0 | 0 | 113.1 | P199 F326 W329 H340 C344 L345 | P199-H342 WeakPolarHBondContact CB-NE2 3.19Å; F326-H342 HydrophobicContact CD1-CB 4.06Å; F326-H342 HydrophobicContact CE1-CB 3.73Å; F326-H342 AromaticContact CE1-CG 3.71Å; F326-H342 AromaticContact CE1-ND1 3.85Å; W329-H342 AromaticContact CD2-CD2 3.64Å; W329-H342 AromaticContact CE2-CD2 3.36Å; W329-H342 HydrophobicContact CH2-CB 4.41Å; W329-H342 AromaticContact CZ2-CD2 3.59Å; W329-H342 HydrophobicContact CZ3-CB 4.32Å; W329-H342 AromaticContact NE1-CD2 3.58Å; W329-H342 AromaticContact NE1-NE2 3.74Å; H340-H342 VanDerWaalsContact C-N 3.34Å; H342-C344 PolarHBondContact ND1-N 3.05Å; H342-C344 PolarHBondContact ND1-SG 3.49Å; H342-C344 PolarHBondContact O-N 2.92Å; H342-L345 HydrophobicContact CB-CD1 4.08Å; H342-L345 HydrophobicContact CB-CG 4.23Å; H342-L345 WeakPolarHBondContact O-CB 3.47Å; H342-L345 PolarHBondContact O-N 3.47Å; H342-L345 VanDerWaalsContact O-N 3.08Å | ||
| 343 | P | 79.1 | Confident | 79.7 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 52% | 0.519 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -55.3 | -37.3 | -175.3 | -29.8 | 36.5 | 0 | 0 | 0 | 116.1 | L345 Q346 | P343-L345 PolarHBondContact O-N 3.31Å; P343-Q346 VanDerWaalsContact O-CB 3.31Å; P343-Q346 WeakPolarHBondContact O-CB 3.21Å; P343-Q346 VanDerWaalsContact O-CG 3.24Å; P343-Q346 WeakPolarHBondContact O-CG 3.39Å; P343-Q346 PolarHBondContact O-N 3.11Å; P343-Q346 VanDerWaalsContact O-N 3.16Å |
| 344 | C | 79.8 | Confident | 80.8 | Confident | 19 Ų | 19 | 52.9 Ų | 52.9 | 13% | 0.128 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -63.3 | -27 | -179.7 | 77.7 | 0 | 0 | 0 | 0 | 113.3 | H342 Q346 Q347 | H342-C344 PolarHBondContact ND1-N 3.05Å; H342-C344 PolarHBondContact ND1-SG 3.49Å; H342-C344 PolarHBondContact O-N 2.92Å; C344-Q346 PolarHBondContact O-N 2.84Å; C344-Q346 VanDerWaalsContact O-N 3.16Å; C344-Q347 PolarHBondContact O-N 3.37Å |
| 345 | L | 85.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -65.7 | -20.2 | 179.9 | -60.5 | 175.1 | 0 | 0 | 0 | 112 | H247 I320 F326 T339 H342 P343 Q347 L348 L704 | H247-L345 HydrophobicContact CB-CD2 4.26Å; I320-L345 HydrophobicContact CB-CD2 4.43Å; I320-L345 HydrophobicContact CG2-CD2 4Å; F326-L345 HydrophobicContact CE1-CD1 4.25Å; F326-L345 HydrophobicContact CE1-CD2 4.1Å; F326-L345 HydrophobicContact CE1-CG 4.12Å; F326-L345 HydrophobicContact CE2-CD2 4.19Å; F326-L345 HydrophobicContact CZ-CD2 3.62Å; F326-L345 HydrophobicContact CZ-CG 4.14Å; T339-L345 WeakPolarHBondContact O-CD1 3.31Å; H342-L345 HydrophobicContact CB-CD1 4.08Å; H342-L345 HydrophobicContact CB-CG 4.23Å; H342-L345 WeakPolarHBondContact O-CB 3.47Å; H342-L345 PolarHBondContact O-N 3.47Å; H342-L345 VanDerWaalsContact O-N 3.08Å; P343-L345 PolarHBondContact O-N 3.31Å; L345-Q347 PolarHBondContact O-N 2.98Å; L345-L348 HydrophobicContact CB-CD1 4.11Å; L345-L348 HydrophobicContact CD2-CD1 4.07Å; L345-L348 VanDerWaalsContact O-CB 3.25Å; L345-L348 WeakPolarHBondContact O-CB 3.4Å; L345-L348 WeakPolarHBondContact O-CG 3.42Å; L345-L348 PolarHBondContact O-N 3.31Å; L345-L704 HydrophobicContact CB-CD1 4.25Å; L345-L704 WeakPolarHBondContact O-CD2 3.35Å |
| 346 | Q | 84.3 | Confident | 84.1 | Confident | 95 Ų | 95 | 34 Ų | 34 | 44% | 0.444 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -59.5 | -17.7 | 176.1 | -58.9 | -177.5 | 13.1 | 0 | 0 | 113.4 | P343 C344 P349 | P343-Q346 VanDerWaalsContact O-CB 3.31Å; P343-Q346 WeakPolarHBondContact O-CB 3.21Å; P343-Q346 VanDerWaalsContact O-CG 3.24Å; P343-Q346 WeakPolarHBondContact O-CG 3.39Å; P343-Q346 PolarHBondContact O-N 3.11Å; P343-Q346 VanDerWaalsContact O-N 3.16Å; C344-Q346 PolarHBondContact O-N 2.84Å; C344-Q346 VanDerWaalsContact O-N 3.16Å; Q346-P349 WeakPolarHBondContact O-CD 3.14Å |
| 347 | Q | 86.5 | Confident | 85.5 | Confident | 95 Ų | 95 | 34.5 Ų | 34.5 | 44% | 0.444 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -80.1 | -14.2 | 173.2 | -62.3 | -173.9 | 6.5 | 0 | 0 | 113.9 | C344 L345 P349 Q350 I351 | C344-Q347 PolarHBondContact O-N 3.37Å; L345-Q347 PolarHBondContact O-N 2.98Å; Q347-P349 VanDerWaalsContact C-N 3.31Å; Q347-P349 VanDerWaalsContact O-N 3.11Å; Q347-Q350 WeakPolarHBondContact O-CA 3.4Å; Q347-Q350 WeakPolarHBondContact O-CB 3.28Å; Q347-Q350 PolarHBondContact O-N 2.66Å; Q347-I351 HydrophobicContact CB-CD1 3.9Å; Q347-I351 HydrophobicContact CB-CG1 4.19Å; Q347-I351 WeakPolarHBondContact O-CG1 3.45Å; Q347-I351 PolarHBondContact O-N 3.47Å |
| 348 | L | 90 | Very high | 86.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -49.9 | -38.1 | -174.8 | -76.7 | 173.3 | 0 | 0 | 0 | 115.2 | L314 P317 I320 L345 I351 F352 Y709 | L314-L348 HydrophobicContact CB-CD2 4.42Å; L314-L348 HydrophobicContact CD2-CD2 3.89Å; P317-L348 HydrophobicContact CB-CD1 4.3Å; P317-L348 HydrophobicContact CG-CD1 4.21Å; I320-L348 HydrophobicContact CG1-CD1 4.39Å; I320-L348 HydrophobicContact CG1-CD2 4.1Å; L345-L348 HydrophobicContact CB-CD1 4.11Å; L345-L348 HydrophobicContact CD2-CD1 4.07Å; L345-L348 VanDerWaalsContact O-CB 3.25Å; L345-L348 WeakPolarHBondContact O-CB 3.4Å; L345-L348 WeakPolarHBondContact O-CG 3.42Å; L345-L348 PolarHBondContact O-N 3.31Å; L348-I351 PolarHBondContact O-N 3.47Å; L348-F352 WeakPolarHBondContact O-CB 3.3Å; L348-F352 PolarHBondContact O-N 3.31Å; L348-Y709 HydrophobicContact CB-CE1 4.17Å; L348-Y709 WeakPolarHBondContact CB-OH 3.49Å |
| 349 | P | 90.3 | Very high | 87.6 | Confident | 17 Ų | 17 | 30.1 Ų | 30.1 | 11% | 0.11 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.1 | -38.4 | 175.4 | -20 | 31.9 | 0 | 0 | 0 | 113.6 | Q346 Q347 L353 K708 Y709 | Q346-P349 WeakPolarHBondContact O-CD 3.14Å; Q347-P349 VanDerWaalsContact C-N 3.31Å; Q347-P349 VanDerWaalsContact O-N 3.11Å; P349-L353 PolarHBondContact O-N 3.43Å; P349-K708 HydrophobicContact CB-CB 4.17Å; P349-K708 WeakPolarHBondContact CB-O 2.96Å; P349-K708 HydrophobicContact CG-CB 3.9Å; P349-Y709 HydrophobicContact CB-CD1 4.03Å; P349-Y709 HydrophobicContact CB-CE1 4.08Å; P349-Y709 HydrophobicContact CB-CG 4.35Å; P349-Y709 HydrophobicContact CG-CD1 4.29Å; P349-Y709 HydrophobicContact CG-CD2 4.46Å; P349-Y709 HydrophobicContact CG-CE1 3.91Å; P349-Y709 HydrophobicContact CG-CE2 4.08Å |
| 350 | Q | 90.9 | Very high | 88.5 | Confident | 85 Ų | 85 | 28.9 Ų | 28.9 | 40% | 0.397 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -71.6 | -40.3 | 175.2 | -173.9 | 62.9 | 49 | 0 | 0 | 111.6 | Q347 F352 L353 N354 | Q347-Q350 WeakPolarHBondContact O-CA 3.4Å; Q347-Q350 WeakPolarHBondContact O-CB 3.28Å; Q347-Q350 PolarHBondContact O-N 2.66Å; Q350-F352 VanDerWaalsContact C-N 3.29Å; Q350-F352 PolarHBondContact O-N 2.99Å; Q350-L353 PolarHBondContact O-N 3.06Å; Q350-N354 PolarHBondContact NE2-OD1 2.97Å; Q350-N354 PolarHBondContact O-N 3.49Å; Q350-N354 PolarHBondContact O-OD1 3.45Å |
| 351 | I | 92.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | 176.1 | -60.3 | 172.8 | 0 | 0 | 0 | 110.1 | H247 V249 V252 L314 Q347 L348 N354 A355 | H247-I351 WeakPolarHBondContact O-CD1 3.37Å; V249-I351 HydrophobicContact CB-CG1 3.93Å; V249-I351 HydrophobicContact CG2-CG1 4.1Å; V252-I351 HydrophobicContact CB-CG2 4.39Å; V252-I351 HydrophobicContact CG2-CG2 3.59Å; L314-I351 HydrophobicContact CD1-CG2 4.08Å; L314-I351 HydrophobicContact CD2-CG2 4.11Å; Q347-I351 HydrophobicContact CB-CD1 3.9Å; Q347-I351 HydrophobicContact CB-CG1 4.19Å; Q347-I351 WeakPolarHBondContact O-CG1 3.45Å; Q347-I351 PolarHBondContact O-N 3.47Å; L348-I351 PolarHBondContact O-N 3.47Å; I351-N354 PolarHBondContact O-N 2.9Å; I351-A355 WeakPolarHBondContact O-CB 3.49Å; I351-A355 PolarHBondContact O-N 2.87Å |
| 352 | F | 94.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65 | -43.2 | 173.3 | 176.9 | -115.9 | 0 | 0 | 0 | 112.4 | L314 C315 L348 Q350 A355 M356 A651 I654 Y709 | L314-F352 HydrophobicContact CB-CB 4.11Å; L314-F352 HydrophobicContact CB-CD2 4.39Å; L314-F352 HydrophobicContact CD1-CB 4.22Å; L314-F352 HydrophobicContact CD1-CD2 4.43Å; C315-F352 VanDerWaalsContact SG-CD1 3.55Å; C315-F352 VanDerWaalsContact SG-CD2 3.53Å; C315-F352 WeakPolarHBondContact SG-CG 3.3Å; L348-F352 WeakPolarHBondContact O-CB 3.3Å; L348-F352 PolarHBondContact O-N 3.31Å; Q350-F352 VanDerWaalsContact C-N 3.29Å; Q350-F352 PolarHBondContact O-N 2.99Å; F352-A355 PolarHBondContact O-N 3.32Å; F352-M356 HydrophobicContact CD2-CE 4.35Å; F352-M356 HydrophobicContact CD2-CG 4.22Å; F352-M356 HydrophobicContact CE1-CG 4.22Å; F352-M356 HydrophobicContact CE2-CE 3.83Å; F352-M356 HydrophobicContact CE2-CG 3.78Å; F352-M356 HydrophobicContact CE2-SD 3.92Å; F352-M356 HydrophobicContact CZ-CG 3.77Å; F352-M356 HydrophobicContact CZ-SD 4.06Å; F352-M356 WeakPolarHBondContact O-CG 3.27Å; F352-M356 PolarHBondContact O-N 3.48Å; F352-A651 HydrophobicContact CE2-CB 4.35Å; F352-A651 HydrophobicContact CZ-CB 3.86Å; F352-I654 HydrophobicContact CE1-CD1 3.88Å; F352-I654 HydrophobicContact CE2-CD1 4.18Å; F352-I654 HydrophobicContact CZ-CD1 3.45Å; F352-I654 VanDerWaalsContact CZ-CD1 3.45Å; F352-Y709 HydrophobicContact CB-CD1 4.1Å; F352-Y709 HydrophobicContact CB-CE1 4.47Å; F352-Y709 AromaticContact CD1-CD1 3.89Å; F352-Y709 HydrophobicContact CD1-CD1 3.89Å; F352-Y709 HydrophobicContact CG-CD1 4.22Å |
| 353 | L | 93.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 174 | 178.6 | 57.9 | 0 | 0 | 0 | 112 | P349 Q350 A355 M356 K357 E715 | P349-L353 PolarHBondContact O-N 3.43Å; Q350-L353 PolarHBondContact O-N 3.06Å; L353-A355 VanDerWaalsContact C-N 3.31Å; L353-A355 PolarHBondContact O-N 3.04Å; L353-M356 PolarHBondContact O-N 2.82Å; L353-K357 HydrophobicContact CD1-CD 4.24Å; L353-K357 HydrophobicContact CD1-CG 4.33Å; L353-K357 HydrophobicContact CG-CD 4.23Å; L353-K357 WeakPolarHBondContact O-CB 3.4Å; L353-K357 WeakPolarHBondContact O-CG 3.37Å; L353-K357 PolarHBondContact O-N 3.2Å; L353-E715 HydrophobicContact CD1-CB 4.32Å |
| 354 | N | 93.9 | Very high | 91.4 | Very high | 31 Ų | 31 | 23.2 Ų | 23.2 | 17% | 0.166 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.2 | -37 | 176.8 | -73.2 | 24 | 0 | 0 | 0 | 111.6 | V252 D253 N256 Q350 I351 K357 G358 | V252-N354 HydrophobicContact CG1-CB 3.85Å; D253-N354 PolarHBondContact OD1-ND2 3.04Å; N256-N354 PolarHBondContact ND2-O 3.39Å; Q350-N354 PolarHBondContact NE2-OD1 2.97Å; Q350-N354 PolarHBondContact O-N 3.49Å; Q350-N354 PolarHBondContact O-OD1 3.45Å; I351-N354 PolarHBondContact O-N 2.9Å; N354-K357 PolarHBondContact O-N 3Å; N354-G358 PolarHBondContact O-N 3.29Å |
| 355 | A | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.7 | -39.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V252 P311 L314 I351 F352 L353 G358 I359 | V252-A355 HydrophobicContact CG1-CB 3.79Å; P311-A355 HydrophobicContact CB-CB 4.41Å; L314-A355 HydrophobicContact CD1-CB 4.25Å; I351-A355 WeakPolarHBondContact O-CB 3.49Å; I351-A355 PolarHBondContact O-N 2.87Å; F352-A355 PolarHBondContact O-N 3.32Å; L353-A355 VanDerWaalsContact C-N 3.31Å; L353-A355 PolarHBondContact O-N 3.04Å; A355-G358 PolarHBondContact O-N 3.46Å; A355-I359 PolarHBondContact O-N 3.22Å |
| 356 | M | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.5 | -40.7 | 174.6 | -66.6 | -60.7 | 98.9 | 0 | 0 | 111.5 | P311 F352 L353 G358 I359 S360 A651 G712 E715 A716 | P311-M356 HydrophobicContact CB-CE 3.38Å; P311-M356 HydrophobicContact CG-CE 3.86Å; F352-M356 HydrophobicContact CD2-CE 4.35Å; F352-M356 HydrophobicContact CD2-CG 4.22Å; F352-M356 HydrophobicContact CE1-CG 4.22Å; F352-M356 HydrophobicContact CE2-CE 3.83Å; F352-M356 HydrophobicContact CE2-CG 3.78Å; F352-M356 HydrophobicContact CE2-SD 3.92Å; F352-M356 HydrophobicContact CZ-CG 3.77Å; F352-M356 HydrophobicContact CZ-SD 4.06Å; F352-M356 WeakPolarHBondContact O-CG 3.27Å; F352-M356 PolarHBondContact O-N 3.48Å; L353-M356 PolarHBondContact O-N 2.82Å; M356-G358 VanDerWaalsContact C-N 3.34Å; M356-G358 PolarHBondContact O-N 3.39Å; M356-I359 HydrophobicContact CE-CD1 3.79Å; M356-I359 PolarHBondContact O-N 2.96Å; M356-S360 WeakPolarHBondContact O-CB 3.44Å; M356-S360 PolarHBondContact O-N 3.16Å; M356-A651 HydrophobicContact SD-CB 3.68Å; M356-G712 WeakPolarHBondContact CG-O 3.5Å; M356-E715 HydrophobicContact CB-CB 4Å; M356-E715 HydrophobicContact CB-CG 3.92Å; M356-A716 HydrophobicContact SD-CB 3.89Å |
| 357 | K | 93.5 | Very high | 92.5 | Very high | 74 Ų | 74 | 18.8 Ų | 18.8 | 32% | 0.322 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -60.3 | -40.9 | 173.9 | -79.4 | 177.1 | 176 | 176.1 | 0 | 112.3 | L353 N354 I359 S360 S361 E715 | L353-K357 HydrophobicContact CD1-CD 4.24Å; L353-K357 HydrophobicContact CD1-CG 4.33Å; L353-K357 HydrophobicContact CG-CD 4.23Å; L353-K357 WeakPolarHBondContact O-CB 3.4Å; L353-K357 WeakPolarHBondContact O-CG 3.37Å; L353-K357 PolarHBondContact O-N 3.2Å; N354-K357 PolarHBondContact O-N 3Å; K357-I359 VanDerWaalsContact C-N 3.34Å; K357-I359 PolarHBondContact O-N 3.26Å; K357-S360 WeakPolarHBondContact O-CB 3.39Å; K357-S360 PolarHBondContact O-N 3.45Å; K357-S361 WeakPolarHBondContact O-CB 3.35Å; K357-S361 PolarHBondContact O-N 3.12Å; K357-S361 PolarHBondContact O-OG 3.21Å; K357-E715 WeakPolarHBondContact CE-OE2 3.48Å; K357-E715 HydrophobicContact CG-CG 3.91Å; K357-E715 VanDerWaalsContact CG-OE2 3.27Å; K357-E715 WeakPolarHBondContact CG-OE2 3.49Å |
| 358 | G | 92.5 | Very high | 92.4 | Very high | 6 Ų | 6 | 15 Ų | 15 | 6% | 0.062 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.8 | -31.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N256 N354 A355 M356 Q362 | N256-G358 WeakPolarHBondContact OD1-CA 3.22Å; N354-G358 PolarHBondContact O-N 3.29Å; A355-G358 PolarHBondContact O-N 3.46Å; M356-G358 VanDerWaalsContact C-N 3.34Å; M356-G358 PolarHBondContact O-N 3.39Å; G358-Q362 WeakPolarHBondContact O-CG 3.34Å; G358-Q362 PolarHBondContact O-N 3.48Å; G358-Q362 PolarHBondContact O-NE2 2.96Å |
| 359 | I | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -75.1 | -42.9 | 172.5 | -70.6 | 163.6 | 0 | 0 | 0 | 110.5 | W255 P311 A355 M356 K357 S361 Q362 V363 F644 W647 L648 | W255-I359 HydrophobicContact CH2-CD1 4.28Å; W255-I359 HydrophobicContact CH2-CG1 4.09Å; P311-I359 HydrophobicContact CG-CD1 3.9Å; A355-I359 PolarHBondContact O-N 3.22Å; M356-I359 HydrophobicContact CE-CD1 3.79Å; M356-I359 PolarHBondContact O-N 2.96Å; K357-I359 VanDerWaalsContact C-N 3.34Å; K357-I359 PolarHBondContact O-N 3.26Å; I359-S361 VanDerWaalsContact C-N 3.34Å; I359-S361 PolarHBondContact O-N 3.44Å; I359-Q362 PolarHBondContact O-N 3.09Å; I359-V363 WeakPolarHBondContact O-CG2 3.43Å; I359-V363 PolarHBondContact O-N 3.17Å; I359-F644 HydrophobicContact CG2-CD1 3.72Å; I359-F644 HydrophobicContact CG2-CE1 4.22Å; I359-F644 HydrophobicContact CG2-CG 4.33Å; I359-W647 HydrophobicContact CD1-CD2 4.47Å; I359-W647 HydrophobicContact CD1-CE3 3.67Å; I359-W647 HydrophobicContact CD1-CZ3 4.28Å; I359-W647 HydrophobicContact CG1-CE3 4.39Å; I359-L648 HydrophobicContact CG2-CD2 3.91Å; I359-L648 HydrophobicContact CG2-CG 4.27Å |
| 360 | S | 94.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -54.9 | -47.4 | 172.6 | -171.4 | 0 | 0 | 0 | 0 | 111.1 | M356 K357 Q362 V363 D364 E715 T719 K722 | M356-S360 WeakPolarHBondContact O-CB 3.44Å; M356-S360 PolarHBondContact O-N 3.16Å; K357-S360 WeakPolarHBondContact O-CB 3.39Å; K357-S360 PolarHBondContact O-N 3.45Å; S360-Q362 PolarHBondContact O-N 3.04Å; S360-V363 PolarHBondContact O-N 3.45Å; S360-D364 WeakPolarHBondContact O-CB 3.44Å; S360-D364 VanDerWaalsContact O-CG 3.22Å; S360-D364 PolarHBondContact O-N 3.27Å; S360-E715 WeakPolarHBondContact CB-OE1 3.24Å; S360-E715 PolarHBondContact OG-OE1 3.42Å; S360-T719 VanDerWaalsContact CB-OG1 3.27Å; S360-T719 WeakPolarHBondContact CB-OG1 3.02Å; S360-T719 PolarHBondContact OG-OG1 3.45Å; S360-K722 PolarHBondContact OG-NZ 3.49Å |
| 361 | S | 92.8 | Very high | 90.6 | Very high | 35 Ų | 35 | 18.4 Ų | 18.4 | 25% | 0.245 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.9 | -38.4 | 175.4 | -62.2 | 0 | 0 | 0 | 0 | 113.9 | K357 I359 A365 | K357-S361 WeakPolarHBondContact O-CB 3.35Å; K357-S361 PolarHBondContact O-N 3.12Å; K357-S361 PolarHBondContact O-OG 3.21Å; I359-S361 VanDerWaalsContact C-N 3.34Å; I359-S361 PolarHBondContact O-N 3.44Å; S361-A365 WeakPolarHBondContact O-CB 3.31Å; S361-A365 PolarHBondContact O-N 2.94Å |
| 362 | Q | 92.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.2 | -38.7 | 175.2 | -74.8 | 170.4 | 79.4 | 0 | 0 | 112 | G358 I359 S360 A365 F366 F644 | G358-Q362 WeakPolarHBondContact O-CG 3.34Å; G358-Q362 PolarHBondContact O-N 3.48Å; G358-Q362 PolarHBondContact O-NE2 2.96Å; I359-Q362 PolarHBondContact O-N 3.09Å; S360-Q362 PolarHBondContact O-N 3.04Å; Q362-A365 WeakPolarHBondContact O-CB 3.06Å; Q362-A365 PolarHBondContact O-N 2.91Å; Q362-F366 WeakPolarHBondContact O-CD2 3.45Å; Q362-F366 PolarHBondContact O-N 3.11Å; Q362-F644 HydrophobicContact CB-CE1 4.44Å; Q362-F644 HydrophobicContact CB-CZ 4.03Å |
| 363 | V | 94 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 173.4 | 167 | 0 | 0 | 0 | 0 | 110.5 | I359 S360 A365 F366 L367 I640 F644 T719 I723 | I359-V363 WeakPolarHBondContact O-CG2 3.43Å; I359-V363 PolarHBondContact O-N 3.17Å; S360-V363 PolarHBondContact O-N 3.45Å; V363-A365 PolarHBondContact O-N 3.05Å; V363-F366 PolarHBondContact O-N 3.44Å; V363-F366 VanDerWaalsContact O-N 3.11Å; V363-L367 HydrophobicContact CG1-CD1 4.01Å; V363-L367 HydrophobicContact CG1-CG 4.37Å; V363-L367 WeakPolarHBondContact O-CG 3.15Å; V363-L367 PolarHBondContact O-N 3.12Å; V363-I640 HydrophobicContact CG1-CG2 4.48Å; V363-I640 HydrophobicContact CG2-CG2 4.13Å; V363-F644 HydrophobicContact CG2-CD2 3.91Å; V363-F644 HydrophobicContact CG2-CE2 4.15Å; V363-F644 HydrophobicContact CG2-CG 4.27Å; V363-T719 HydrophobicContact CB-CG2 3.81Å; V363-T719 HydrophobicContact CG1-CG2 3.8Å; V363-T719 HydrophobicContact CG2-CG2 3.77Å; V363-I723 HydrophobicContact CG1-CD1 3.86Å; V363-I723 HydrophobicContact CG1-CG1 3.45Å; V363-I723 VanDerWaalsContact CG1-CG1 3.45Å; V363-I723 HydrophobicContact CG2-CD1 4.1Å |
| 364 | D | 91.7 | Very high | 85.8 | Confident | 24 Ų | 24 | 31.7 Ų | 31.7 | 13% | 0.128 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.5 | -35.5 | 175.9 | -67.6 | -10.2 | 0 | 0 | 0 | 111.7 | S360 L367 G368 V369 Y370 K722 | S360-D364 WeakPolarHBondContact O-CB 3.44Å; S360-D364 VanDerWaalsContact O-CG 3.22Å; S360-D364 PolarHBondContact O-N 3.27Å; D364-L367 PolarHBondContact O-N 3.26Å; D364-G368 PolarHBondContact O-N 3.2Å; D364-V369 HydrophobicContact CB-CG2 4.02Å; D364-V369 PolarHBondContact O-N 3.35Å; D364-Y370 PolarHBondContact O-N 2.8Å; D364-K722 WeakPolarHBondContact OD1-CD 3.38Å; D364-K722 WeakPolarHBondContact OD1-CE 3.45Å; D364-K722 IonicContact OD1-NZ 2.78Å; D364-K722 PolarHBondContact OD1-NZ 3.4Å; D364-K722 IonicContact OD2-NZ 3.74Å; D364-K722 PolarHBondContact OD2-NZ 3.36Å |
| 365 | A | 90.6 | Very high | 83.3 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -47.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T263 L267 F275 L278 S361 Q362 V363 L367 G368 | T263-A365 HydrophobicContact CG2-CB 4Å; L267-A365 HydrophobicContact CD1-CB 3.94Å; L267-A365 WeakPolarHBondContact CD1-O 3.07Å; F275-A365 WeakPolarHBondContact CE1-O 3.44Å; F275-A365 WeakPolarHBondContact CZ-O 3.46Å; L278-A365 HydrophobicContact CD1-CB 3.51Å; L278-A365 HydrophobicContact CD2-CB 4.24Å; S361-A365 WeakPolarHBondContact O-CB 3.31Å; S361-A365 PolarHBondContact O-N 2.94Å; Q362-A365 WeakPolarHBondContact O-CB 3.06Å; Q362-A365 PolarHBondContact O-N 2.91Å; V363-A365 PolarHBondContact O-N 3.05Å; A365-L367 VanDerWaalsContact C-N 3.29Å; A365-L367 PolarHBondContact O-N 2.87Å; A365-G368 PolarHBondContact O-N 2.87Å; A365-G368 VanDerWaalsContact O-N 3.11Å |
| 366 | F | 92.2 | Very high | 80.5 | Confident | 18 Ų | 18 | 47.4 Ų | 47.4 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -32.1 | 174.6 | -79.5 | -67.5 | 0 | 0 | 0 | 113.2 | T263 L266 L267 W301 Q362 V363 G368 P635 I640 F644 | T263-F366 HydrophobicContact CG2-CD2 4.39Å; T263-F366 HydrophobicContact CG2-CE2 3.94Å; T263-F366 HydrophobicContact CG2-CZ 4.11Å; L266-F366 HydrophobicContact CD2-CZ 4.16Å; L267-F366 HydrophobicContact CD2-CD1 3.58Å; L267-F366 HydrophobicContact CD2-CE1 3.88Å; L267-F366 HydrophobicContact CD2-CG 4.4Å; W301-F366 HydrophobicContact CH2-CZ 4.21Å; W301-F366 AromaticContact CZ2-CE2 3.89Å; W301-F366 HydrophobicContact CZ2-CE2 3.89Å; W301-F366 AromaticContact CZ2-CZ 3.73Å; W301-F366 HydrophobicContact CZ2-CZ 3.73Å; Q362-F366 WeakPolarHBondContact O-CD2 3.45Å; Q362-F366 PolarHBondContact O-N 3.11Å; V363-F366 PolarHBondContact O-N 3.44Å; V363-F366 VanDerWaalsContact O-N 3.11Å; F366-G368 VanDerWaalsContact C-N 3.31Å; F366-P635 HydrophobicContact CB-CG 4.23Å; F366-P635 HydrophobicContact CD1-CG 3.93Å; F366-P635 HydrophobicContact CG-CG 4.5Å; F366-P635 WeakPolarHBondContact O-CD 3.23Å; F366-I640 HydrophobicContact CB-CD1 4.05Å; F366-I640 HydrophobicContact CB-CG1 4.31Å; F366-F644 AromaticContact CD2-CE2 3.98Å; F366-F644 HydrophobicContact CD2-CE2 3.98Å; F366-F644 HydrophobicContact CD2-CZ 4.39Å; F366-F644 AromaticContact CE2-CE2 3.94Å; F366-F644 HydrophobicContact CE2-CE2 3.94Å; F366-F644 HydrophobicContact CE2-CZ 4.08Å |
| 367 | L | 90 | Very high | 77.2 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -78.9 | -13.9 | 175.4 | -66.4 | -178.1 | 0 | 0 | 0 | 113.3 | V363 D364 A365 V369 L630 A631 I640 K722 A726 | V363-L367 HydrophobicContact CG1-CD1 4.01Å; V363-L367 HydrophobicContact CG1-CG 4.37Å; V363-L367 WeakPolarHBondContact O-CG 3.15Å; V363-L367 PolarHBondContact O-N 3.12Å; D364-L367 PolarHBondContact O-N 3.26Å; A365-L367 VanDerWaalsContact C-N 3.29Å; A365-L367 PolarHBondContact O-N 2.87Å; L367-V369 HydrophobicContact CB-CG2 3.97Å; L367-L630 HydrophobicContact CB-CD2 4.03Å; L367-L630 HydrophobicContact CD2-CD2 4.49Å; L367-A631 PolarHBondContact O-N 3.06Å; L367-A631 VanDerWaalsContact O-N 3.08Å; L367-I640 HydrophobicContact CD2-CD1 3.61Å; L367-I640 HydrophobicContact CG-CD1 4.28Å; L367-K722 HydrophobicContact CD1-CB 4.12Å; L367-A726 HydrophobicContact CD1-CB 4.16Å; L367-A726 HydrophobicContact CD2-CB 3.43Å; L367-A726 VanDerWaalsContact CD2-CB 3.43Å; L367-A726 HydrophobicContact CG-CB 4.39Å |
| 368 | G | 85.8 | Confident | 74 | Confident | 15 Ų | 15 | 57 Ų | 57 | 16% | 0.155 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 10.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D364 A365 F366 | D364-G368 PolarHBondContact O-N 3.2Å; A365-G368 PolarHBondContact O-N 2.87Å; A365-G368 VanDerWaalsContact O-N 3.11Å; F366-G368 VanDerWaalsContact C-N 3.31Å |
| 369 | V | 82.8 | Confident | 70.9 | Confident | 24 Ų | 24 | 59.7 Ų | 59.7 | 15% | 0.145 | 34% | 0.342 | C | S | . | . | trans | -108.1 | 6 | -172.5 | -57.5 | 0 | 0 | 0 | 0 | 113.8 | D364 L367 Q371 V628 L630 | D364-V369 HydrophobicContact CB-CG2 4.02Å; D364-V369 PolarHBondContact O-N 3.35Å; L367-V369 HydrophobicContact CB-CG2 3.97Å; V369-Q371 PolarHBondContact O-N 3.31Å; V369-V628 HydrophobicContact CB-CB 4.02Å; V369-V628 HydrophobicContact CB-CG1 3.69Å; V369-V628 HydrophobicContact CG1-CB 4.12Å; V369-V628 HydrophobicContact CG1-CG1 3.96Å; V369-V628 WeakPolarHBondContact CG1-O 3.37Å; V369-L630 HydrophobicContact CG1-CD2 3.82Å; V369-L630 HydrophobicContact CG1-CG 4.33Å | ||
| 370 | Y | 80 | Confident | 68.1 | Low | 39 Ų | 39 | 65 Ų | 65 | 15% | 0.153 | 38% | 0.375 | C | S | . | . | trans | -56.5 | 122.9 | -179.9 | 176.7 | -97 | 0 | 0 | 0 | 112.2 | L260 L278 D364 P372 | L260-Y370 HydrophobicContact CD1-CD2 4.43Å; L260-Y370 HydrophobicContact CD1-CE2 4.1Å; L260-Y370 HydrophobicContact CD2-CE2 4.16Å; L260-Y370 WeakPolarHBondContact CD2-OH 3.36Å; L278-Y370 HydrophobicContact CD1-CD1 3.5Å; L278-Y370 HydrophobicContact CD1-CE1 4.38Å; L278-Y370 HydrophobicContact CD1-CG 3.6Å; L278-Y370 HydrophobicContact CG-CD1 3.84Å; L278-Y370 HydrophobicContact CG-CE1 4.28Å; L278-Y370 HydrophobicContact CG-CG 4.35Å; D364-Y370 PolarHBondContact O-N 2.8Å; Y370-P372 HydrophobicContact CE1-CB 4.11Å | ||
| 371 | Q | 69.3 | Low | 65.1 | Low | 110 Ų | 110 | 69.6 Ų | 69.6 | 51% | 0.514 | 40% | 0.402 | S | S | . | . | trans | -107.9 | 128.6 | 166.7 | -62.3 | -173.8 | 1.3 | 0 | 0 | 108.3 | V369 | V369-Q371 PolarHBondContact O-N 3.31Š| ||
| 372 | P | 65.2 | Low | 62.2 | Low | 71 Ų | 71 | 71.7 Ų | 71.7 | 46% | 0.461 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 138 | 171.8 | 26.3 | -32.9 | 0 | 0 | 0 | 109.3 | Y370 | Y370-P372 HydrophobicContact CE1-CB 4.11Š|
| 373 | P | 63.3 | Low | 59.7 | Low | 94 Ų | 94 | 76.8 Ų | 76.8 | 61% | 0.61 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 139.7 | -180 | 24.5 | -33.5 | 0 | 0 | 0 | 109.8 | Q375 | P373-Q375 PolarHBondContact O-N 3.09Å; P373-Q375 VanDerWaalsContact O-N 3.15Å |
| 374 | P | 51.3 | Low | 56.9 | Low | 117 Ų | 117 | 82.1 Ų | 82.1 | 76% | 0.76 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 125.1 | 176.2 | 25.1 | -33.5 | 0 | 0 | 0 | 108.4 | Q376 | P374-Q376 PolarHBondContact O-N 2.92Š|
| 375 | Q | 42.2 | Very low | 54.2 | Low | 176 Ų | 176 | 86 Ų | 86 | 82% | 0.822 | 49% | 0.489 | S | S | * | . | trans | -52.2 | 113.1 | -173.4 | -72.3 | 178.7 | -22.4 | 0 | 0 | 109.9 | P373 T377 | P373-Q375 PolarHBondContact O-N 3.09Å; P373-Q375 VanDerWaalsContact O-N 3.15Å; Q375-T377 PolarHBondContact O-N 2.82Å | ||
| 376 | Q | 35.9 | Very low | 51.6 | Low | 185 Ų | 185 | 91.2 Ų | 91.2 | 86% | 0.864 | 51% | 0.513 | S | S | * | . | trans | -74.1 | 81.2 | 174.4 | -76.1 | -170.6 | -35.7 | 0 | 0 | 109.1 | P374 D378 | P374-Q376 PolarHBondContact O-N 2.92Å; Q376-D378 PolarHBondContact O-N 2.8Å | ||
| 377 | T | 26.9 | Very low | 49.1 | Very low | 116 Ų | 116 | 92.1 Ų | 92.1 | 71% | 0.712 | 52% | 0.518 | S | S | * | . | trans | -69.2 | 72 | 163.3 | 55.6 | 0 | 0 | 0 | 0 | 109.2 | Q375 | Q375-T377 PolarHBondContact O-N 2.82Š| ||
| 378 | D | 25.7 | Very low | 46.7 | Very low | 159 Ų | 159 | 100.2 Ų | 100.2 | 85% | 0.85 | 55% | 0.549 | S | S | * | . | S | Bend | trans | 174.4 | 126.2 | 151.8 | -88.2 | -23.7 | 0 | 0 | 0 | 109.2 | Q376 | Q376-D378 PolarHBondContact O-N 2.8Š|
| 379 | G | 28.1 | Very low | 44.4 | Very low | 62 Ų | 62 | 105.6 Ų | 105.6 | 64% | 0.639 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 139.2 | -62.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | T382 | G379-T382 PolarHBondContact O-OG1 3.16Š|
| 380 | V | 35.6 | Very low | 42.3 | Very low | 112 Ų | 112 | 107.3 Ų | 107.3 | 68% | 0.679 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -103.1 | -32 | -161 | -173.9 | 0 | 0 | 0 | 0 | 114.4 | T382 | V380-T382 PolarHBondContact O-N 2.95Š|
| 381 | V | 32 | Very low | 40.2 | Very low | 100 Ų | 100 | 108.3 Ų | 108.3 | 61% | 0.606 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.2 | -15.4 | -171.5 | -174.2 | 0 | 0 | 0 | 0 | 113.4 | N383 L384 L385 | V381-N383 PolarHBondContact O-N 2.87Å; V381-L384 PolarHBondContact O-N 2.76Å; V381-L385 HydrophobicContact CG1-CD1 4.25Å; V381-L385 HydrophobicContact CG1-CG 4.5Å; V381-L385 PolarHBondContact O-N 3.18Å |
| 382 | T | 32 | Very low | 38.6 | Very low | 79 Ų | 79 | 107.6 Ų | 107.6 | 49% | 0.485 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -55.8 | -47.5 | 178.7 | 39.9 | 0 | 0 | 0 | 0 | 112.8 | G379 V380 L384 L385 E386 | G379-T382 PolarHBondContact O-OG1 3.16Å; V380-T382 PolarHBondContact O-N 2.95Å; T382-L384 VanDerWaalsContact C-N 3.31Å; T382-L384 PolarHBondContact O-N 3.4Å; T382-L385 PolarHBondContact O-N 3.4Å; T382-E386 PolarHBondContact O-N 3.19Å |
| 383 | N | 38.7 | Very low | 37.2 | Very low | 107 Ų | 107 | 110 Ų | 110 | 57% | 0.572 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -58.7 | -40.8 | 179.4 | -80.9 | -25.4 | 0 | 0 | 0 | 112.4 | V381 I387 | V381-N383 PolarHBondContact O-N 2.87Å; N383-I387 VanDerWaalsContact O-CB 3.26Å; N383-I387 WeakPolarHBondContact O-CB 3.31Å; N383-I387 WeakPolarHBondContact O-CD1 3.48Å; N383-I387 WeakPolarHBondContact O-CG1 3.38Å; N383-I387 PolarHBondContact O-N 2.93Å |
| 384 | L | 35.1 | Very low | 35.7 | Very low | 113 Ų | 113 | 107.5 Ų | 107.5 | 59% | 0.592 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.3 | -32.6 | 179.7 | -99 | 166.5 | 0 | 0 | 0 | 112.8 | V381 T382 R388 | V381-L384 PolarHBondContact O-N 2.76Å; T382-L384 VanDerWaalsContact C-N 3.31Å; T382-L384 PolarHBondContact O-N 3.4Å; L384-R388 WeakPolarHBondContact O-CB 3.32Å; L384-R388 PolarHBondContact O-N 3Å; L384-R388 VanDerWaalsContact O-N 3.11Å |
| 385 | L | 36 | Very low | 34.9 | Very low | 104 Ų | 104 | 105.8 Ų | 105.8 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -75.6 | -41 | 174.5 | -76.3 | 169.1 | 0 | 0 | 0 | 112.3 | V381 T382 R388 H389 | V381-L385 HydrophobicContact CG1-CD1 4.25Å; V381-L385 HydrophobicContact CG1-CG 4.5Å; V381-L385 PolarHBondContact O-N 3.18Å; T382-L385 PolarHBondContact O-N 3.4Å; L385-R388 PolarHBondContact O-N 3.45Å; L385-H389 PolarHBondContact O-N 3.19Å |
| 386 | E | 35.8 | Very low | 34.3 | Very low | 111 Ų | 111 | 100.7 Ų | 100.7 | 52% | 0.519 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.9 | -48.4 | 173.6 | -74 | -172.3 | -168.5 | 0 | 0 | 111.5 | T382 R388 H389 S390 | T382-E386 PolarHBondContact O-N 3.19Å; E386-R388 VanDerWaalsContact C-N 3.25Å; E386-R388 PolarHBondContact O-N 3.42Å; E386-H389 CarbonylContact O-C 3.54Å; E386-H389 WeakPolarHBondContact O-CA 3.35Å; E386-H389 WeakPolarHBondContact O-CB 3.49Å; E386-H389 PolarHBondContact O-N 3.03Å; E386-S390 PolarHBondContact O-N 2.89Å; E386-S390 PolarHBondContact O-OG 3.31Å |
| 387 | I | 40.5 | Very low | 34.1 | Very low | 37 Ų | 37 | 95.5 Ų | 95.5 | 19% | 0.19 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -60 | -36.4 | 176.1 | -70.3 | 166.7 | 0 | 0 | 0 | 111 | N383 L391 | N383-I387 VanDerWaalsContact O-CB 3.26Å; N383-I387 WeakPolarHBondContact O-CB 3.31Å; N383-I387 WeakPolarHBondContact O-CD1 3.48Å; N383-I387 WeakPolarHBondContact O-CG1 3.38Å; N383-I387 PolarHBondContact O-N 2.93Å; I387-L391 HydrophobicContact CG2-CD1 3.95Å; I387-L391 HydrophobicContact CG2-CG 4.48Å; I387-L391 VanDerWaalsContact O-CB 3.25Å; I387-L391 WeakPolarHBondContact O-CB 3.2Å; I387-L391 VanDerWaalsContact O-CG 3.3Å; I387-L391 WeakPolarHBondContact O-CG 3.46Å; I387-L391 PolarHBondContact O-N 3.45Å |
| 388 | R | 37.9 | Very low | 34.4 | Very low | 173 Ų | 173 | 93 Ų | 93 | 65% | 0.653 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.5 | -31.8 | 175.5 | -167.5 | 172.6 | -171.7 | 164.3 | -0.7 | 112.5 | L384 L385 E386 N392 | L384-R388 WeakPolarHBondContact O-CB 3.32Å; L384-R388 PolarHBondContact O-N 3Å; L384-R388 VanDerWaalsContact O-N 3.11Å; L385-R388 PolarHBondContact O-N 3.45Å; E386-R388 VanDerWaalsContact C-N 3.25Å; E386-R388 PolarHBondContact O-N 3.42Å; R388-N392 WeakPolarHBondContact O-CB 3.38Å; R388-N392 VanDerWaalsContact O-CG 3.32Å; R388-N392 PolarHBondContact O-N 3.24Å |
| 389 | H | 38.4 | Very low | 34.6 | Very low | 129 Ų | 129 | 91.2 Ų | 91.2 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.9 | -51.9 | 169.9 | -117.4 | -88.4 | 0 | 0 | 0 | 111.4 | L385 E386 L391 N392 E393 | L385-H389 PolarHBondContact O-N 3.19Å; E386-H389 CarbonylContact O-C 3.54Å; E386-H389 WeakPolarHBondContact O-CA 3.35Å; E386-H389 WeakPolarHBondContact O-CB 3.49Å; E386-H389 PolarHBondContact O-N 3.03Å; H389-L391 VanDerWaalsContact C-N 3.31Å; H389-L391 PolarHBondContact O-N 3.05Å; H389-N392 WeakPolarHBondContact O-CB 3.3Å; H389-N392 PolarHBondContact O-N 3.43Å; H389-E393 PolarHBondContact O-N 3.09Å |
| 390 | S | 37.6 | Very low | 34.6 | Very low | 59 Ų | 59 | 96.5 Ų | 96.5 | 41% | 0.413 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -35.1 | 178.7 | -57.4 | 0 | 0 | 0 | 0 | 113 | E386 A394 | E386-S390 PolarHBondContact O-N 2.89Å; E386-S390 PolarHBondContact O-OG 3.31Å; S390-A394 WeakPolarHBondContact O-CB 3.27Å; S390-A394 PolarHBondContact O-N 3.37Å |
| 391 | L | 36.2 | Very low | 34.3 | Very low | 61 Ų | 61 | 99.3 Ų | 99.3 | 32% | 0.319 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 170.3 | -86.4 | 164.7 | 0 | 0 | 0 | 111.6 | V157 I387 H389 A394 T395 | V157-L391 HydrophobicContact CG1-CD2 3.75Å; V157-L391 HydrophobicContact CG1-CG 4.35Å; I387-L391 HydrophobicContact CG2-CD1 3.95Å; I387-L391 HydrophobicContact CG2-CG 4.48Å; I387-L391 VanDerWaalsContact O-CB 3.25Å; I387-L391 WeakPolarHBondContact O-CB 3.2Å; I387-L391 VanDerWaalsContact O-CG 3.3Å; I387-L391 WeakPolarHBondContact O-CG 3.46Å; I387-L391 PolarHBondContact O-N 3.45Å; H389-L391 VanDerWaalsContact C-N 3.31Å; H389-L391 PolarHBondContact O-N 3.05Å; L391-A394 PolarHBondContact O-N 3.37Å; L391-T395 PolarHBondContact O-N 3.4Å; L391-T395 VanDerWaalsContact O-N 3.17Å; L391-T395 PolarHBondContact O-OG1 2.78Å |
| 392 | N | 36.4 | Very low | 34.2 | Very low | 95 Ų | 95 | 103.4 Ų | 103.4 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 178.6 | -77.8 | -7.3 | 0 | 0 | 0 | 112.2 | R388 H389 T395 S396 | R388-N392 WeakPolarHBondContact O-CB 3.38Å; R388-N392 VanDerWaalsContact O-CG 3.32Å; R388-N392 PolarHBondContact O-N 3.24Å; H389-N392 WeakPolarHBondContact O-CB 3.3Å; H389-N392 PolarHBondContact O-N 3.43Å; N392-T395 PolarHBondContact O-N 3.42Å; N392-T395 PolarHBondContact O-OG1 3.33Å; N392-S396 WeakPolarHBondContact O-CB 3.2Å; N392-S396 PolarHBondContact O-N 3.26Å; N392-S396 PolarHBondContact O-OG 3.49Å |
| 393 | E | 35.9 | Very low | 34.1 | Very low | 121 Ų | 121 | 106 Ų | 106 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.5 | -41 | 175.6 | -71.4 | -179.6 | 139.9 | 0 | 0 | 112 | H389 T395 S396 S397 | H389-E393 PolarHBondContact O-N 3.09Å; E393-T395 PolarHBondContact O-N 2.77Å; E393-S396 PolarHBondContact O-N 2.68Å; E393-S397 WeakPolarHBondContact O-CB 3.45Å; E393-S397 PolarHBondContact O-N 3.28Å; E393-S397 PolarHBondContact O-OG 3.39Å |
| 394 | A | 32.1 | Very low | 33.5 | Very low | 42 Ų | 42 | 108.6 Ų | 108.6 | 35% | 0.347 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.6 | -20.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S390 L391 | S390-A394 WeakPolarHBondContact O-CB 3.27Å; S390-A394 PolarHBondContact O-N 3.37Å; L391-A394 PolarHBondContact O-N 3.37Å |
| 395 | T | 33.4 | Very low | 33.1 | Very low | 81 Ų | 81 | 109 Ų | 109 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -96.4 | -25.7 | 170.5 | 52.1 | 0 | 0 | 0 | 0 | 114.3 | L391 N392 E393 | L391-T395 PolarHBondContact O-N 3.4Å; L391-T395 VanDerWaalsContact O-N 3.17Å; L391-T395 PolarHBondContact O-OG1 2.78Å; N392-T395 PolarHBondContact O-N 3.42Å; N392-T395 PolarHBondContact O-OG1 3.33Å; E393-T395 PolarHBondContact O-N 2.77Å |
| 396 | S | 30.1 | Very low | 32.6 | Very low | 68 Ų | 68 | 109.7 Ų | 109.7 | 48% | 0.476 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -87.8 | -31.4 | -175.3 | -56.8 | 0 | 0 | 0 | 0 | 113.4 | N392 E393 T398 L399 | N392-S396 WeakPolarHBondContact O-CB 3.2Å; N392-S396 PolarHBondContact O-N 3.26Å; N392-S396 PolarHBondContact O-OG 3.49Å; E393-S396 PolarHBondContact O-N 2.68Å; S396-T398 PolarHBondContact O-N 3Å; S396-L399 PolarHBondContact O-N 3.15Å; S396-L399 VanDerWaalsContact O-N 3.11Å |
| 397 | S | 30.8 | Very low | 32.4 | Very low | 76 Ų | 76 | 110.4 Ų | 110.4 | 53% | 0.531 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.5 | -27.4 | -175.9 | 46.1 | 0 | 0 | 0 | 0 | 114.1 | E393 L399 | E393-S397 WeakPolarHBondContact O-CB 3.45Å; E393-S397 PolarHBondContact O-N 3.28Å; E393-S397 PolarHBondContact O-OG 3.39Å; S397-L399 VanDerWaalsContact C-N 3.33Å; S397-L399 PolarHBondContact O-N 3.34Å |
| 398 | T | 33.9 | Very low | 31.9 | Very low | 65 Ų | 65 | 112.6 Ų | 112.6 | 40% | 0.399 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72 | -22.2 | 177 | -43.7 | 0 | 0 | 0 | 0 | 113.5 | T51 S396 | T51-T398 HydrophobicContact CG2-CG2 4.34Å; S396-T398 PolarHBondContact O-N 3Å |
| 399 | L | 29.4 | Very low | 31.7 | Very low | 121 Ų | 121 | 110.7 Ų | 110.7 | 63% | 0.634 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -90 | -17.1 | -170.2 | -103.1 | 163.5 | 0 | 0 | 0 | 115.2 | S396 S397 | S396-L399 PolarHBondContact O-N 3.15Å; S396-L399 VanDerWaalsContact O-N 3.11Å; S397-L399 VanDerWaalsContact C-N 3.33Å; S397-L399 PolarHBondContact O-N 3.34Å |
| 400 | Q | 29 | Very low | 31.2 | Very low | 172 Ų | 172 | 111.6 Ų | 111.6 | 80% | 0.804 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -98.9 | -16.3 | -176.3 | -72.9 | -169.6 | -16.4 | 0 | 0 | 115.3 | ||
| 401 | Q | 29.6 | Very low | 30.9 | Very low | 172 Ų | 172 | 115.9 Ų | 115.9 | 80% | 0.804 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -89.2 | -7.9 | -179.1 | -70 | -169.3 | -15.3 | 0 | 0 | 114.8 | ||
| 402 | F | 30.2 | Very low | 30.7 | Very low | 186 Ų | 186 | 117.5 Ų | 117.5 | 82% | 0.816 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -97.4 | 1.6 | -174.3 | -99.5 | -80.3 | 0 | 0 | 0 | 116.3 | ||
| 403 | I | 28.6 | Very low | 30.3 | Very low | 132 Ų | 132 | 119.7 Ų | 119.7 | 68% | 0.677 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -96 | -9 | -175.5 | -69.3 | 175.8 | 0 | 0 | 0 | 113.3 | ||
| 404 | H | 27 | Very low | 30 | Very low | 163 Ų | 163 | 121.1 Ų | 121.1 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -134.5 | 76.7 | -177.2 | -66.7 | 111.1 | 0 | 0 | 0 | 114.3 | ||
| 405 | S | 26 | Very low | 29.8 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | trans | 174 | 104.9 | 139.8 | 38.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 406 | S | 26 | Very low | 29.6 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | trans | -159.4 | 81.1 | 164 | 62 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 407 | S | 30.9 | Very low | 29.5 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 88% | 0.881 | 75% | 0.746 | S | S | * | * | trans | -158.5 | 127.9 | 166.1 | -90.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 408 | A | 31 | Very low | 30 | Very low | 83 Ų | 83 | 136.6 Ų | 136.6 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | trans | 11.1 | 125.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 409 | T | 32.2 | Very low | 29.8 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | 56.4 | 127.9 | 61 | 72.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 410 | N | 29.5 | Very low | 29.9 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | cis | -169.9 | -174.9 | -4.7 | -161.8 | -7.9 | 0 | 0 | 0 | 109.5 | ||||
| 411 | I | 30.6 | Very low | 30 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | 89.1 | 106.1 | 159.5 | -58 | 160.5 | 0 | 0 | 0 | 118.9 | ||||
| 412 | A | 31.8 | Very low | 30 | Very low | 95 Ų | 95 | 137 Ų | 137 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | 46 | 162.8 | 132.1 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 413 | N | 28 | Very low | 29.9 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | cis | -174.4 | 161.3 | -34.6 | -171.1 | 11 | 0 | 0 | 0 | 107.8 | ||||
| 414 | Q | 29.6 | Very low | 30 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | trans | 66.9 | 158.4 | 173.4 | -56.4 | -178.9 | 3.1 | 0 | 0 | 116.6 | ||||
| 415 | Q | 27.8 | Very low | 29.9 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | cis | -165.4 | 138.5 | -29.6 | -107.5 | 175.1 | -10.7 | 0 | 0 | 107.5 | ||||
| 416 | N | 30 | Very low | 29.9 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | -169.2 | 173.2 | 115.3 | -124.6 | -36 | 0 | 0 | 0 | 114.7 | |||||
| 417 | Q | 28 | Very low | 29.9 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | trans | -138.4 | -163.2 | -164.2 | -112 | -171.6 | 24.3 | 0 | 0 | 109.5 | ||||
| 418 | P | 41 | Very low | 30 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | cis | -135.7 | 173.9 | -42.5 | 36.4 | -20.7 | 0 | 0 | 0 | 113.8 | ||||
| 419 | A | 30.2 | Very low | 29.9 | Very low | 88 Ų | 88 | 143.8 Ų | 143.8 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | 176.6 | 143.9 | 139.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 420 | H | 32 | Very low | 29.7 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | cis | -156.5 | 149.4 | -21 | -116.3 | -68.3 | 0 | 0 | 0 | 107.7 | ||||
| 421 | H | 29.1 | Very low | 29.7 | Very low | 141 Ų | 141 | 146.4 Ų | 146.4 | 65% | 0.653 | 75% | 0.747 | S | S | * | * | trans | 29.1 | 145.3 | 152 | -61.1 | -31.2 | 0 | 0 | 0 | 123.1 | ||||
| 422 | H | 30.5 | Very low | 29.5 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | -155.5 | 160.2 | 4.3 | -123.1 | -59.1 | 0 | 0 | 0 | 112.5 | ||||
| 423 | H | 28.2 | Very low | 29.4 | Very low | 142 Ų | 142 | 151.2 Ų | 151.2 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | trans | -43.3 | 165.7 | 164 | -79.2 | -28.4 | 0 | 0 | 0 | 116.3 | ||||
| 424 | H | 30.5 | Very low | 29.4 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | cis | -140.7 | 171.9 | 33.6 | -107.4 | -74.3 | 0 | 0 | 0 | 116 | ||||
| 425 | L | 24.9 | Very low | 29.2 | Very low | 124 Ų | 124 | 146 Ų | 146 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | trans | -75.1 | 153.6 | -176.1 | -60.4 | 75.1 | 0 | 0 | 0 | 113.1 | ||||
| 426 | H | 26.5 | Very low | 29.2 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -150.8 | 143.3 | 141.1 | -135.8 | -83 | 0 | 0 | 0 | 113.2 | ||||
| 427 | Y | 25.2 | Very low | 29.2 | Very low | 182 Ų | 182 | 139.6 Ų | 139.6 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | trans | -75.8 | 145.7 | 166.6 | -80.2 | -106.6 | 0 | 0 | 0 | 110.6 | H429 | Y427-H429 PolarHBondContact O-N 3.03Š| ||
| 428 | P | 33.7 | Very low | 29.2 | Very low | 126 Ų | 126 | 140 Ų | 140 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -83.2 | 92.8 | 155.9 | 33.1 | -29 | 0 | 0 | 0 | 109.8 | ||||
| 429 | H | 29.2 | Very low | 28.7 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | trans | -70.5 | 128.3 | 161.8 | -90.6 | -100.8 | 0 | 0 | 0 | 109.4 | Y427 H431 | Y427-H429 PolarHBondContact O-N 3.03Å; H429-H431 PolarHBondContact O-N 3.38Å | ||
| 430 | L | 27.9 | Very low | 28.5 | Very low | 176 Ų | 176 | 147 Ų | 147 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | trans | -76.8 | 115.2 | 160.2 | -99.9 | 159.5 | 0 | 0 | 0 | 108.3 | ||||
| 431 | H | 29.2 | Very low | 28.3 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | trans | -123.1 | 133.4 | 179 | -139.9 | -68.4 | 0 | 0 | 0 | 109.7 | H429 | H429-H431 PolarHBondContact O-N 3.38Š| ||
| 432 | L | 25.3 | Very low | 28.1 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | trans | -107.3 | 126.3 | -174.4 | -155.9 | 83.1 | 0 | 0 | 0 | 111.4 | ||||
| 433 | H | 30.3 | Very low | 28 | Very low | 188 Ų | 188 | 144.5 Ų | 144.5 | 87% | 0.87 | 76% | 0.758 | S | S | * | * | trans | -171 | 140.8 | 165.2 | -109.5 | -87.3 | 0 | 0 | 0 | 107.8 | ||||
| 434 | G | 28.3 | Very low | 27.9 | Very low | 67 Ų | 67 | 144.9 Ų | 144.9 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | cis | 168.9 | 123.1 | -12.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 435 | A | 25.1 | Very low | 27.7 | Very low | 115 Ų | 115 | 141 Ų | 141 | 95% | 0.95 | 75% | 0.753 | S | S | * | * | trans | 69.7 | 145.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 436 | G | 28.9 | Very low | 27.8 | Very low | 81 Ų | 81 | 142.8 Ų | 142.8 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | trans | 104.8 | 139.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 437 | S | 28.9 | Very low | 27.9 | Very low | 102 Ų | 102 | 140 Ų | 140 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | cis | -164.7 | 125.7 | -8.3 | -173 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 438 | F | 28.2 | Very low | 28 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | 63.9 | 123.6 | 146.4 | -78.1 | -123.6 | 0 | 0 | 0 | 123.3 | ||||
| 439 | L | 29.6 | Very low | 27.6 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | trans | 74.9 | 119 | 133.6 | -61.9 | 178.7 | 0 | 0 | 0 | 124.9 | ||||
| 440 | R | 26.4 | Very low | 27.6 | Very low | 201 Ų | 201 | 133.7 Ų | 133.7 | 76% | 0.758 | 77% | 0.773 | S | S | * | * | 74.5 | 131.3 | 122.5 | -72.4 | -173.9 | 79.6 | 161.4 | 2.5 | 124.1 | |||||
| 441 | D | 27.6 | Very low | 27.5 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 51% | 0.513 | 77% | 0.765 | S | S | . | * | trans | 71.9 | 114.1 | 130.1 | -62.2 | 16.7 | 0 | 0 | 0 | 122.7 | ||||
| 442 | N | 26.3 | Very low | 27.4 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | 94.5 | 129.3 | 121.6 | -75.9 | -19.8 | 0 | 0 | 0 | 123.4 | |||||
| 443 | F | 27.1 | Very low | 27.4 | Very low | 171 Ų | 171 | 128.6 Ų | 128.6 | 75% | 0.75 | 77% | 0.765 | S | S | * | * | trans | 93.9 | 120 | 132.4 | -89.2 | -134 | 0 | 0 | 0 | 122.2 | ||||
| 444 | M | 27.2 | Very low | 27.3 | Very low | 151 Ų | 151 | 123.5 Ų | 123.5 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | trans | 75.5 | 110.8 | 136.2 | -68.7 | -171.6 | 74.3 | 0 | 0 | 122 | ||||
| 445 | S | 25.1 | Very low | 27.1 | Very low | 85 Ų | 85 | 127.5 Ų | 127.5 | 59% | 0.594 | 76% | 0.76 | S | S | * | * | trans | 45.4 | 125.4 | 131.2 | 64 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 446 | N | 28.8 | Very low | 27.3 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | -162.8 | 160 | 102.5 | -100 | -33.8 | 0 | 0 | 0 | 113.2 | |||||
| 447 | S | 26.7 | Very low | 27.2 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | -112.7 | 139.6 | 178.6 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 448 | A | 28.6 | Very low | 27.4 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 88% | 0.876 | 75% | 0.747 | S | S | * | * | trans | -167 | 152.6 | 154.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 449 | S | 25.7 | Very low | 27.6 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | -103.5 | 168.9 | -167 | -56.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 450 | S | 28.2 | Very low | 27.7 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | 69 | 97.6 | 141.2 | 54.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 451 | A | 26.7 | Very low | 28 | Very low | 90 Ų | 90 | 123.2 Ų | 123.2 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | 74.1 | 122.9 | 109.2 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 452 | L | 25.5 | Very low | 28.3 | Very low | 151 Ų | 151 | 126.8 Ų | 126.8 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | 80.8 | 115.4 | 137.6 | -75.5 | 164.2 | 0 | 0 | 0 | 123.1 | ||||
| 453 | N | 26.8 | Very low | 28.7 | Very low | 145 Ų | 145 | 128 Ų | 128 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | 72.4 | 105.9 | 136.4 | -76.7 | 1.6 | 0 | 0 | 0 | 122.5 | ||||
| 454 | A | 26.9 | Very low | 29 | Very low | 82 Ų | 82 | 122.7 Ų | 122.7 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | 132.4 | 113.8 | 92.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 455 | I | 25.4 | Very low | 29.4 | Very low | 151 Ų | 151 | 122.5 Ų | 122.5 | 77% | 0.774 | 75% | 0.753 | S | S | * | * | 58.4 | 110 | 128.5 | -51 | 164 | 0 | 0 | 0 | 120.2 | |||||
| 456 | M | 28.2 | Very low | 29.9 | Very low | 176 Ų | 176 | 125.7 Ų | 125.7 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | 167.5 | 155.7 | 129.5 | -95.6 | 177.3 | -81 | 0 | 0 | 110.6 | |||||
| 457 | G | 27.8 | Very low | 30.2 | Very low | 58 Ų | 58 | 126 Ų | 126 | 60% | 0.598 | 75% | 0.754 | S | S | * | * | cis | 168.6 | -175.1 | -3.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 458 | H | 32.1 | Very low | 30.4 | Very low | 164 Ų | 164 | 128 Ų | 128 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | 73.1 | 149.9 | 174.2 | -49.9 | -71.9 | 0 | 0 | 0 | 117.4 | ||||
| 459 | H | 33 | Very low | 30.3 | Very low | 191 Ų | 191 | 130.3 Ų | 130.3 | 88% | 0.884 | 74% | 0.743 | S | S | * | * | cis | -125.6 | 163.7 | 4.8 | -71.5 | -102.7 | 0 | 0 | 0 | 111.8 | ||||
| 460 | G | 32.3 | Very low | 30.3 | Very low | 72 Ų | 72 | 132.1 Ų | 132.1 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | cis | 159 | 152.9 | -10.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 461 | G | 32.8 | Very low | 30.4 | Very low | 66 Ų | 66 | 133.6 Ų | 133.6 | 68% | 0.68 | 73% | 0.734 | S | S | * | * | trans | 93.4 | 150 | 161.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 462 | H | 33.7 | Very low | 30.5 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 79% | 0.787 | 73% | 0.727 | S | S | * | * | cis | -161.7 | 160.5 | -15 | -86.4 | -84.3 | 0 | 0 | 0 | 106.5 | ||||
| 463 | H | 34.7 | Very low | 30.6 | Very low | 155 Ų | 155 | 135 Ų | 135 | 72% | 0.718 | 72% | 0.721 | S | S | * | * | cis | -136 | -143.6 | -2.9 | -133.9 | -43.3 | 0 | 0 | 0 | 109.5 | ||||
| 464 | G | 33.8 | Very low | 30.8 | Very low | 59 Ų | 59 | 134.8 Ų | 134.8 | 61% | 0.608 | 72% | 0.715 | S | S | * | * | cis | 104.6 | 140 | 8.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 465 | H | 34.6 | Very low | 30.8 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 68% | 0.681 | 71% | 0.714 | S | S | * | * | cis | -168.2 | 157.1 | -6.2 | -129.4 | -73.6 | 0 | 0 | 0 | 113.7 | ||||
| 466 | H | 36.3 | Very low | 31 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 70% | 0.704 | 71% | 0.712 | S | S | * | * | trans | 71.9 | 147.5 | 142.6 | -91.1 | -40.3 | 0 | 0 | 0 | 126.8 | ||||
| 467 | H | 35.5 | Very low | 31 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 79% | 0.792 | 70% | 0.701 | S | S | * | * | trans | 89.7 | 158.5 | 140.6 | -102.6 | 78.9 | 0 | 0 | 0 | 122.4 | ||||
| 468 | Q | 30 | Very low | 31 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 76% | 0.757 | 71% | 0.709 | S | S | * | * | trans | -147.2 | 134.7 | -158.2 | -170.7 | 175.6 | 32.1 | 0 | 0 | 110.9 | ||||
| 469 | Q | 25.5 | Very low | 30.7 | Very low | 154 Ų | 154 | 139 Ų | 139 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | trans | 62.7 | 121.8 | 165.3 | -74.8 | -179.2 | 7.1 | 0 | 0 | 121.6 | ||||
| 470 | Q | 26.8 | Very low | 30.4 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | trans | 66.4 | 155.1 | 133.9 | -63.5 | -173.2 | 24.6 | 0 | 0 | 118.6 | ||||
| 471 | Q | 29.9 | Very low | 30.1 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | cis | -150.1 | 171.6 | -0.9 | -131.4 | -176.6 | 86.3 | 0 | 0 | 106.8 | ||||
| 472 | Q | 28.7 | Very low | 30 | Very low | 130 Ų | 130 | 138 Ų | 138 | 61% | 0.607 | 71% | 0.705 | S | S | * | * | cis | -156.3 | 172.7 | 6.9 | -166.4 | -168.4 | 94.5 | 0 | 0 | 107.4 | ||||
| 473 | Q | 28.6 | Very low | 30.1 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 66% | 0.664 | 70% | 0.702 | S | S | * | * | trans | 70.9 | 159.9 | 165 | -56.4 | -164.5 | 16.9 | 0 | 0 | 115.9 | ||||
| 474 | Q | 29.9 | Very low | 29.7 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 65% | 0.654 | 71% | 0.707 | S | S | * | * | cis | -153.8 | 156.8 | -23.5 | -111.5 | -168.3 | 98.1 | 0 | 0 | 106.6 | ||||
| 475 | Q | 27.9 | Very low | 29.6 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 65% | 0.645 | 72% | 0.72 | S | S | * | * | cis | -145.2 | 135 | -1 | -148.3 | -167.2 | 69.7 | 0 | 0 | 108.4 | ||||
| 476 | Q | 28.5 | Very low | 29.2 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | trans | 62.4 | 152.3 | 166.7 | -54 | -170.1 | -2.8 | 0 | 0 | 119.6 | ||||
| 477 | L | 29.1 | Very low | 29 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 63% | 0.634 | 73% | 0.732 | S | S | * | * | cis | -161.3 | 141.3 | -25.1 | -105.1 | 170.1 | 0 | 0 | 0 | 108.2 | ||||
| 478 | Q | 26.7 | Very low | 28.6 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | 40.6 | 153.5 | 127.8 | -101.6 | 175 | 18.9 | 0 | 0 | 122.4 | |||||
| 479 | I | 27.4 | Very low | 28.6 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | cis | -151.6 | 159.5 | 13.7 | -27 | 157.3 | 0 | 0 | 0 | 111.4 | ||||
| 480 | S | 26.4 | Very low | 28.8 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | trans | 61.8 | 126.7 | 138.5 | 64.5 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 481 | A | 25.7 | Very low | 28.9 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | 74.4 | 141.5 | 127.4 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 482 | S | 30.3 | Very low | 28.9 | Very low | 113 Ų | 113 | 125.9 Ų | 125.9 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | trans | -77 | 151.3 | 158.9 | 42.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 483 | P | 36 | Very low | 28.7 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | -141.8 | -178.7 | 55.6 | 40.9 | -22.2 | 0 | 0 | 0 | 116.8 | |||||
| 484 | T | 26.1 | Very low | 28.9 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | 38.5 | 109.1 | 155.1 | 51.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 485 | S | 32.7 | Very low | 28.9 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | trans | -76.4 | 131.5 | 175.3 | 54.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 486 | S | 26 | Very low | 29 | Very low | 110 Ų | 110 | 119 Ų | 119 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -121.9 | 162.1 | 165.7 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 487 | L | 30.9 | Very low | 28.9 | Very low | 166 Ų | 166 | 116.9 Ų | 116.9 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -80.2 | 161.9 | -177.4 | -71.9 | 81 | 0 | 0 | 0 | 113.4 | ||||
| 488 | T | 27.6 | Very low | 28.7 | Very low | 133 Ų | 133 | 117.2 Ų | 117.2 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | trans | -141.1 | 164.5 | 162 | 63.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 489 | T | 30 | Very low | 28.5 | Very low | 134 Ų | 134 | 115.2 Ų | 115.2 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | cis | -117.6 | -172.8 | -0.2 | 58.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 490 | S | 29.6 | Very low | 28.5 | Very low | 106 Ų | 106 | 113.5 Ų | 113.5 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | cis | -141.7 | -176.7 | 7.7 | 71.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 491 | G | 28.7 | Very low | 28.6 | Very low | 64 Ų | 64 | 113.1 Ų | 113.1 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | cis | 94.6 | 130.9 | 13.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 492 | S | 29.3 | Very low | 28.6 | Very low | 121 Ų | 121 | 112.1 Ų | 112.1 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | cis | -155.7 | -177.6 | -0.3 | 64.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 493 | S | 25.7 | Very low | 28.4 | Very low | 106 Ų | 106 | 111.2 Ų | 111.2 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | cis | -158.6 | -172.2 | 13.8 | 67.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 494 | A | 31.9 | Very low | 28.2 | Very low | 94 Ų | 94 | 113.4 Ų | 113.4 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | 67.4 | 124.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 495 | V | 30.7 | Very low | 28.1 | Very low | 149 Ų | 149 | 111.7 Ų | 111.7 | 90% | 0.903 | 78% | 0.784 | S | S | * | * | cis | -141.8 | 150.5 | 4.2 | -180 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 496 | G | 29.2 | Very low | 27.9 | Very low | 57 Ų | 57 | 109.5 Ų | 109.5 | 59% | 0.588 | 77% | 0.773 | S | S | * | * | cis | 154 | 162.6 | -0 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 497 | S | 27.6 | Very low | 27.9 | Very low | 115 Ų | 115 | 107.8 Ų | 107.8 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 64.5 | 130 | -166.4 | -56.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 498 | T | 23.5 | Very low | 27.8 | Very low | 127 Ų | 127 | 105.9 Ų | 105.9 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | cis | 67.2 | 114.6 | 18.2 | 77.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 499 | S | 23.6 | Very low | 27.6 | Very low | 120 Ų | 120 | 105.2 Ų | 105.2 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | trans | 71.5 | 147.7 | 172.1 | 76.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 500 | A | 27.4 | Very low | 27.4 | Very low | 103 Ų | 103 | 101.2 Ų | 101.2 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 65.9 | 122.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||
| 501 | G | 28.2 | Very low | 27.2 | Very low | 88 Ų | 88 | 101.3 Ų | 101.3 | 91% | 0.907 | 75% | 0.75 | S | S | * | * | trans | 85.6 | 127.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 502 | G | 26.3 | Very low | 27.1 | Very low | 77 Ų | 77 | 106.1 Ų | 106.1 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | 153.8 | -30.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 503 | S | 25.2 | Very low | 27 | Very low | 95 Ų | 95 | 104.8 Ų | 104.8 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | trans | -59.7 | 143.3 | 158.7 | -83.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 504 | H | 31.9 | Very low | 27 | Very low | 157 Ų | 157 | 110.1 Ų | 110.1 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -140.2 | 145.7 | -5.4 | -88.2 | -54.1 | 0 | 0 | 0 | 107.5 | ||||
| 505 | S | 25.1 | Very low | 26.8 | Very low | 96 Ų | 96 | 109.1 Ų | 109.1 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | 71.7 | 122.9 | 59.3 | -42.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 506 | A | 28.6 | Very low | 26.7 | Very low | 81 Ų | 81 | 106.8 Ų | 106.8 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | trans | 68.3 | 152.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V508 | A506-V508 VanDerWaalsContact C-N 3.31Å; A506-V508 HydrophobicContact CB-CB 4.26Å; A506-V508 HydrophobicContact CB-CG2 4.12Å | ||
| 507 | G | 24.5 | Very low | 26.7 | Very low | 74 Ų | 74 | 110 Ų | 110 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | cis | 97.6 | -35 | 7.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V509 | G507-V509 VanDerWaalsContact C-N 3.26Å; G507-V509 CarbonylContact C-O 3.2Å; G507-V509 WeakPolarHBondContact CA-O 3.46Å; G507-V509 PolarHBondContact N-O 3.43Å; G507-V509 PolarHBondContact O-N 3.01Å; G507-V509 VanDerWaalsContact O-N 3.13Å | ||
| 508 | V | 30 | Very low | 26.8 | Very low | 126 Ų | 126 | 112.4 Ų | 112.4 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -66.1 | 93.4 | 141.9 | 174.3 | 0 | 0 | 0 | 0 | 105.3 | A506 | A506-V508 VanDerWaalsContact C-N 3.31Å; A506-V508 HydrophobicContact CB-CB 4.26Å; A506-V508 HydrophobicContact CB-CG2 4.12Å |
| 509 | V | 23 | Very low | 27.2 | Very low | 120 Ų | 120 | 110.7 Ų | 110.7 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 68.1 | 155 | -173.3 | -163.7 | 0 | 0 | 0 | 0 | 110.4 | G507 | G507-V509 VanDerWaalsContact C-N 3.26Å; G507-V509 CarbonylContact C-O 3.2Å; G507-V509 WeakPolarHBondContact CA-O 3.46Å; G507-V509 PolarHBondContact N-O 3.43Å; G507-V509 PolarHBondContact O-N 3.01Å; G507-V509 VanDerWaalsContact O-N 3.13Å | ||
| 510 | G | 25.8 | Very low | 27.8 | Very low | 49 Ų | 49 | 111.2 Ų | 111.2 | 51% | 0.505 | 76% | 0.755 | S | S | . | * | cis | 126.7 | 114.2 | 3.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 511 | S | 25.8 | Very low | 27.9 | Very low | 109 Ų | 109 | 109.9 Ų | 109.9 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | 92.2 | 168.9 | 103.7 | -61.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 512 | I | 26.7 | Very low | 28.4 | Very low | 164 Ų | 164 | 112.3 Ų | 112.3 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | trans | 76.2 | 150.1 | 173.6 | 92 | -148.4 | 0 | 0 | 0 | 116.4 | ||||
| 513 | S | 25.5 | Very low | 28.5 | Very low | 94 Ų | 94 | 112.5 Ų | 112.5 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | cis | -147 | 161.3 | 8.1 | -151.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 514 | F | 26.7 | Very low | 28.7 | Very low | 218 Ų | 218 | 117.5 Ų | 117.5 | 96% | 0.956 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 139.6 | 98.8 | 157 | -76.5 | -54.4 | 0 | 0 | 0 | 108.3 | ||
| 515 | G | 26.6 | Very low | 28.3 | Very low | 73 Ų | 73 | 114.4 Ų | 114.4 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | cis | 153.3 | 153.2 | -3.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 516 | A | 29.1 | Very low | 28.3 | Very low | 100 Ų | 100 | 115.5 Ų | 115.5 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | cis | -118.2 | -129.6 | -19.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 517 | T | 28.8 | Very low | 28.2 | Very low | 123 Ų | 123 | 116.1 Ų | 116.1 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | cis | -160.1 | 158.2 | 0.4 | 42.4 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 518 | E | 30.6 | Very low | 28.2 | Very low | 166 Ų | 166 | 118 Ų | 118 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | cis | -163.4 | 138.6 | -8.8 | -115 | -154.6 | -122.2 | 0 | 0 | 106.8 | ||||
| 519 | S | 31.8 | Very low | 28.1 | Very low | 91 Ų | 91 | 116.9 Ų | 116.9 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | 104.3 | 163.3 | 89.3 | 88.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 520 | P | 35.6 | Very low | 28.3 | Very low | 132 Ų | 132 | 117.5 Ų | 117.5 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | -140.5 | 174.5 | -101.8 | 37.5 | -16.6 | 0 | 0 | 0 | 118.7 | |||||
| 521 | G | 30 | Very low | 28.6 | Very low | 74 Ų | 74 | 120.2 Ų | 120.2 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 155.6 | 122.5 | 159 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 522 | P | 39.4 | Very low | 28.7 | Very low | 139 Ų | 139 | 121 Ų | 121 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | trans | -131 | 168.1 | 177.4 | 41.4 | -28.3 | 0 | 0 | 0 | 117 | ||||
| 523 | G | 28.1 | Very low | 29.4 | Very low | 81 Ų | 81 | 118.6 Ų | 118.6 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -171.4 | 156.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 524 | Q | 28.4 | Very low | 29.9 | Very low | 200 Ų | 200 | 119.8 Ų | 119.8 | 94% | 0.935 | 80% | 0.799 | S | S | * | * | trans | -106.3 | 167.7 | -164.4 | -65.3 | 175 | -33.3 | 0 | 0 | 116.9 | ||||
| 525 | A | 24.5 | Very low | 30.1 | Very low | 93 Ų | 93 | 116.5 Ų | 116.5 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 110.3 | 121.7 | 137.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 526 | S | 25.6 | Very low | 30.3 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | 2.2 | 130.2 | 155.5 | 57.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 527 | A | 26.3 | Very low | 30.2 | Very low | 93 Ų | 93 | 127.9 Ų | 127.9 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | -179.1 | 152.4 | 118.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 528 | S | 24.8 | Very low | 30.1 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 18.1 | 147 | 152.4 | 60.2 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 529 | A | 28 | Very low | 29.9 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 104.9 | 130.2 | 146.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 530 | T | 27.1 | Very low | 29.8 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | -80.9 | 168.8 | 167.2 | 38.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 531 | P | 31.9 | Very low | 29.4 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | cis | -152 | 158 | 37.2 | 43.2 | -21.5 | 0 | 0 | 0 | 122.2 | ||||
| 532 | T | 27.1 | Very low | 29.3 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | 57.6 | 122.3 | 146.2 | 48.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 533 | P | 40.8 | Very low | 28.8 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -94.4 | 172.6 | 145.2 | 40 | -33.5 | 0 | 0 | 0 | 111.8 | ||||
| 534 | P | 36.3 | Very low | 28.9 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | -132.6 | -157.6 | 110.9 | 20.6 | 2.4 | 0 | 0 | 0 | 110.7 | |||||
| 535 | L | 32.3 | Very low | 28.9 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | cis | -140.8 | -148.4 | 18.3 | -100.6 | 179.2 | 0 | 0 | 0 | 112.5 | ||||
| 536 | Q | 30.6 | Very low | 29.3 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -98.6 | 151.2 | -165.4 | -62.6 | 147.2 | -51.3 | 0 | 0 | 113.5 | ||||
| 537 | R | 26.4 | Very low | 30 | Very low | 242 Ų | 242 | 137 Ų | 137 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | cis | 103.4 | 136.6 | 7.5 | -165 | 171.2 | 173.6 | 165 | -0.3 | 117.5 | ||||
| 538 | R | 25.9 | Very low | 30.2 | Very low | 215 Ų | 215 | 137.8 Ų | 137.8 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -95.3 | 155.8 | -172.7 | -67.6 | 166.5 | 131.8 | -163.6 | -1.2 | 116.3 | ||||
| 539 | L | 27.3 | Very low | 30.6 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | 62.1 | 163.8 | 139.7 | -72.1 | 166.5 | 0 | 0 | 0 | 120.8 | ||||
| 540 | A | 28.9 | Very low | 30.8 | Very low | 91 Ų | 91 | 139.3 Ų | 139.3 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -125.3 | 163 | -156.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 541 | K | 26.8 | Very low | 31 | Very low | 201 Ų | 201 | 140.4 Ų | 140.4 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -178.7 | 145.7 | 142.5 | -104.8 | 170.3 | -177.1 | -177.2 | 0 | 114.7 | ||||
| 542 | S | 29.3 | Very low | 31 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | 62.4 | 114.5 | 149.1 | 52.1 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 543 | F | 29.2 | Very low | 31.3 | Very low | 192 Ų | 192 | 146.3 Ų | 146.3 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | 63.2 | 107.1 | 134.7 | -70.2 | -76.8 | 0 | 0 | 0 | 124.6 | ||||
| 544 | S | 29.2 | Very low | 30.6 | Very low | 104 Ų | 104 | 144.3 Ų | 144.3 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | 71.4 | 172.6 | 134.1 | -54.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 545 | V | 29.7 | Very low | 30.4 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | cis | -138.2 | 172.4 | 12.2 | -163.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 546 | A | 31.9 | Very low | 30.2 | Very low | 80 Ų | 80 | 145.2 Ų | 145.2 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | trans | -122.4 | -178.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 547 | P | 40.1 | Very low | 30.1 | Very low | 116 Ų | 116 | 147 Ų | 147 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | -141.5 | -160.8 | 99 | 33 | -11.7 | 0 | 0 | 0 | 111.8 | |||||
| 548 | T | 30.9 | Very low | 30.2 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | cis | -163.4 | 165.5 | 12.8 | -18.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 549 | I | 33.1 | Very low | 30.2 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | 64.6 | 125.3 | 150.5 | -73.2 | 164.6 | 0 | 0 | 0 | 117.9 | ||||
| 550 | T | 31.8 | Very low | 30.2 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 62% | 0.62 | 78% | 0.783 | S | S | * | * | cis | -159.8 | 145.9 | 1.7 | 14.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 551 | Q | 32.2 | Very low | 30.3 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | 67 | 150 | 147.4 | -65.8 | -176.2 | 47.2 | 0 | 0 | 119.3 | ||||
| 552 | Q | 32.3 | Very low | 30.4 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | cis | -143.3 | -176.7 | -0.5 | -131.5 | -174.7 | 70 | 0 | 0 | 113.5 | ||||
| 553 | K | 31.5 | Very low | 30.3 | Very low | 198 Ų | 198 | 138.7 Ų | 138.7 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -70.3 | 163.2 | -167.6 | -58 | 164.1 | -177.8 | 173.5 | 0 | 114 | ||||
| 554 | G | 27.6 | Very low | 30.2 | Very low | 72 Ų | 72 | 136.9 Ų | 136.9 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | cis | 156.5 | 161 | -5.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 555 | L | 31 | Very low | 30.1 | Very low | 180 Ų | 180 | 136 Ų | 136 | 94% | 0.942 | 80% | 0.801 | S | S | * | * | trans | -142.1 | 165.6 | 174.2 | -98.3 | 174.7 | 0 | 0 | 0 | 112 | ||||
| 556 | S | 29.5 | Very low | 30 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -85.8 | 160.2 | -163.2 | 52.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 557 | K | 28.2 | Very low | 29.8 | Very low | 209 Ų | 209 | 132.8 Ų | 132.8 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -137.6 | 122.2 | 164.5 | -80.4 | -171.6 | 175.3 | -177.4 | 0 | 110.1 | ||||
| 558 | T | 26.9 | Very low | 29.2 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | trans | -131.6 | 137.1 | 169.8 | -51.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 559 | S | 28 | Very low | 29.1 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 107 | 78.5 | -178 | -51.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 560 | L | 27.3 | Very low | 28.8 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | -168.9 | 64.6 | 148.5 | -113.7 | 165.4 | 0 | 0 | 0 | 112.7 | ||||
| 561 | I | 31 | Very low | 28.7 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 93% | 0.933 | 83% | 0.831 | S | S | * | * | trans | -140.8 | 128.8 | 164.6 | -54 | 178.1 | 0 | 0 | 0 | 106.5 | ||||
| 562 | G | 27.1 | Very low | 28.5 | Very low | 61 Ų | 61 | 138.4 Ų | 138.4 | 63% | 0.629 | 83% | 0.834 | S | S | * | * | cis | 179.3 | 155.9 | -8.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 563 | L | 28.2 | Very low | 28.2 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 90% | 0.901 | 84% | 0.836 | S | S | * | * | trans | -148.8 | 102 | 175.7 | -85.9 | 178.3 | 0 | 0 | 0 | 111.8 | ||||
| 564 | T | 26.8 | Very low | 28 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 95% | 0.945 | 83% | 0.832 | S | S | * | * | trans | -177.5 | 127.2 | 144.4 | 41.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 565 | G | 27.8 | Very low | 28 | Very low | 84 Ų | 84 | 133.8 Ų | 133.8 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | 179.3 | 79.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 566 | G | 27.4 | Very low | 27.9 | Very low | 85 Ų | 85 | 130.8 Ų | 130.8 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | trans | 89 | 150.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 567 | G | 26.5 | Very low | 27.8 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 78% | 0.784 | 84% | 0.835 | S | S | * | * | cis | 171.4 | 11.2 | -4.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 568 | A | 28.4 | Very low | 27.8 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | trans | -140.7 | 113.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 569 | R | 29.5 | Very low | 27.8 | Very low | 242 Ų | 242 | 128.9 Ų | 128.9 | 91% | 0.913 | 83% | 0.829 | S | S | * | * | 94.4 | 97.7 | 58.3 | -83.1 | -172.5 | 177.1 | -162.4 | 0.1 | 112.7 | |||||
| 570 | N | 25.4 | Very low | 27.8 | Very low | 167 Ų | 167 | 130.6 Ų | 130.6 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | trans | -73.9 | 154.5 | 164.4 | -63 | -27.8 | 0 | 0 | 0 | 111.5 | ||||
| 571 | A | 29.4 | Very low | 27.7 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 72% | 0.719 | 83% | 0.834 | S | S | * | * | trans | -176.9 | 118.5 | 131.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 572 | I | 29.2 | Very low | 27.6 | Very low | 156 Ų | 156 | 126.6 Ų | 126.6 | 80% | 0.8 | 83% | 0.83 | S | S | * | * | 67 | 89.5 | 127.4 | -53.8 | 173 | 0 | 0 | 0 | 120.3 | |||||
| 573 | S | 25.3 | Very low | 27.7 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | 18 | 133.6 | 129 | 62.8 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 574 | S | 28.4 | Very low | 27.6 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | trans | -162 | 157.2 | 130.5 | 53.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 575 | S | 26.9 | Very low | 27.7 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | cis | 162.6 | 92.6 | -38.9 | 53.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 576 | S | 28.4 | Very low | 27.7 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -175.8 | 118.1 | 158.4 | 44.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 577 | T | 26.8 | Very low | 27.7 | Very low | 146 Ų | 146 | 122.2 Ų | 122.2 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | trans | -158.4 | 113.2 | 152.5 | -27.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 578 | T | 29 | Very low | 27.7 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -133.8 | 107.8 | 177 | 46.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 579 | T | 26 | Very low | 27.7 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 82% | 0.816 | 82% | 0.822 | S | S | * | * | trans | 21.6 | 119.6 | 144.9 | 56.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 580 | T | 28.6 | Very low | 27.5 | Very low | 151 Ų | 151 | 119.8 Ų | 119.8 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | trans | -122.2 | 157.3 | 135.7 | 49.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 581 | N | 25.1 | Very low | 27.8 | Very low | 166 Ų | 166 | 115.3 Ų | 115.3 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -142.1 | 121.6 | -161.1 | -159 | 13.1 | 0 | 0 | 0 | 111.5 | ||||
| 582 | A | 30 | Very low | 27.7 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -168.8 | 149.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 583 | G | 28.6 | Very low | 27.6 | Very low | 66 Ų | 66 | 115.6 Ų | 115.6 | 68% | 0.68 | 82% | 0.824 | S | S | * | * | cis | 167.2 | 96.5 | -8.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 584 | S | 25.6 | Very low | 27.8 | Very low | 109 Ų | 109 | 116 Ų | 116 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | 72.4 | 157.3 | 153.6 | 76.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 585 | T | 29.9 | Very low | 27.6 | Very low | 144 Ų | 144 | 115.4 Ų | 115.4 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | 70.7 | 142.4 | 172.6 | 71.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 586 | G | 27 | Very low | 27.7 | Very low | 80 Ų | 80 | 116 Ų | 116 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | cis | 174 | 154.8 | -9.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 587 | G | 28.5 | Very low | 27.7 | Very low | 66 Ų | 66 | 114.7 Ų | 114.7 | 68% | 0.68 | 83% | 0.825 | S | S | * | * | trans | 108.2 | 114.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 588 | T | 25.8 | Very low | 27.7 | Very low | 152 Ų | 152 | 114.2 Ų | 114.2 | 93% | 0.933 | 83% | 0.825 | S | S | * | * | cis | 69.3 | 105.9 | 47.2 | 76.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 589 | G | 29.1 | Very low | 27.5 | Very low | 84 Ų | 84 | 115.7 Ų | 115.7 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | trans | -167.1 | 68.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 590 | S | 25.4 | Very low | 27.5 | Very low | 128 Ų | 128 | 115 Ų | 115 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | trans | -89.8 | 130.9 | 174.3 | 51.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 591 | G | 30.1 | Very low | 27.6 | Very low | 73 Ų | 73 | 114.3 Ų | 114.3 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -165.3 | 134.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 592 | D | 27.8 | Very low | 27.5 | Very low | 174 Ų | 174 | 112.2 Ų | 112.2 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | trans | -67.6 | 165.6 | -166.7 | -59.5 | -77 | 0 | 0 | 0 | 116.2 | ||||
| 593 | G | 27.3 | Very low | 27.4 | Very low | 76 Ų | 76 | 113.6 Ų | 113.6 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | 135.6 | 36.6 | 114.5 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 594 | S | 30.2 | Very low | 27.3 | Very low | 119 Ų | 119 | 116.1 Ų | 116.1 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -165.2 | 126.4 | 152.4 | 56.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 595 | A | 24.7 | Very low | 27.3 | Very low | 99 Ų | 99 | 116.3 Ų | 116.3 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -86.1 | 147.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 596 | P | 28 | Very low | 27.2 | Very low | 120 Ų | 120 | 116.4 Ų | 116.4 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | -143.2 | 160.6 | 106.8 | 38.6 | -26.2 | 0 | 0 | 0 | 115.1 | |||||
| 597 | A | 28.2 | Very low | 27.1 | Very low | 89 Ų | 89 | 118.9 Ų | 118.9 | 74% | 0.736 | 82% | 0.823 | S | S | * | * | trans | 42 | 126.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | L599 | A597-L599 PolarHBondContact O-N 2.9Š| ||
| 598 | P | 27.3 | Very low | 27 | Very low | 137 Ų | 137 | 118.9 Ų | 118.9 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 121.7 | 176.2 | 31.3 | -33.6 | 0 | 0 | 0 | 112.4 | ||
| 599 | L | 24.9 | Very low | 27.1 | Very low | 160 Ų | 160 | 117.1 Ų | 117.1 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 149.7 | 161.3 | -77.9 | 164 | 0 | 0 | 0 | 110.3 | A597 | A597-L599 PolarHBondContact O-N 2.9Š|
| 600 | P | 26.3 | Very low | 27 | Very low | 119 Ų | 119 | 119.3 Ų | 119.3 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 141.7 | -174.7 | 27 | -34.5 | 0 | 0 | 0 | 112.6 | ||
| 601 | T | 28.9 | Very low | 27 | Very low | 135 Ų | 135 | 118.7 Ų | 118.7 | 83% | 0.828 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 126.2 | -172.7 | 50.8 | 0 | 0 | 0 | 0 | 113.4 | P603 | T601-P603 WeakPolarHBondContact O-CD 3.39Š|
| 602 | T | 24.2 | Very low | 26.7 | Very low | 122 Ų | 122 | 120.4 Ų | 120.4 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 124 | 166.3 | 47.9 | 0 | 0 | 0 | 0 | 111.5 | T604 | T602-T604 PolarHBondContact O-N 3.47Š|
| 603 | P | 28.7 | Very low | 26.7 | Very low | 133 Ų | 133 | 117.4 Ų | 117.4 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -85.8 | 100.3 | 178.5 | 32.3 | -32.6 | 0 | 0 | 0 | 111.8 | T601 | T601-P603 WeakPolarHBondContact O-CD 3.39Š| ||
| 604 | T | 26 | Very low | 26.5 | Very low | 120 Ų | 120 | 119.4 Ų | 119.4 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -85 | 131.1 | 173.7 | 47.8 | 0 | 0 | 0 | 0 | 112.9 | T602 | T602-T604 PolarHBondContact O-N 3.47Š| ||
| 605 | S | 25.2 | Very low | 26.3 | Very low | 113 Ų | 113 | 119.3 Ų | 119.3 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | 52.8 | 95.4 | 154.4 | 60.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 606 | T | 28.4 | Very low | 26.3 | Very low | 146 Ų | 146 | 122.6 Ų | 122.6 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | trans | -109.5 | 116.7 | 146.7 | 52.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 607 | S | 24.6 | Very low | 26.2 | Very low | 132 Ų | 132 | 123 Ų | 123 | 92% | 0.923 | 81% | 0.808 | S | S | * | * | trans | -82.1 | 119.7 | -178.5 | 43.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 608 | G | 25.8 | Very low | 25.9 | Very low | 65 Ų | 65 | 124.2 Ų | 124.2 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | trans | -128.2 | 150.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 609 | P | 27.9 | Very low | 25.7 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | trans | -76.2 | 144.9 | -170.2 | 30 | -35.4 | 0 | 0 | 0 | 113.2 | S611 | P609-S611 PolarHBondContact O-N 2.7Š| ||
| 610 | P | 26.3 | Very low | 25.6 | Very low | 130 Ų | 130 | 121.3 Ų | 121.3 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | trans | -71.2 | 113.8 | 178.9 | 28.9 | -34 | 0 | 0 | 0 | 111.3 | A612 | P610-A612 PolarHBondContact O-N 2.86Š| ||
| 611 | S | 26.5 | Very low | 25.4 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -81.3 | 111.5 | 171.4 | -68.6 | 0 | 0 | 0 | 0 | 110.1 | P609 S613 | P609-S611 PolarHBondContact O-N 2.7Å; S611-S613 PolarHBondContact O-N 2.93Å | ||
| 612 | A | 23.3 | Very low | 25.3 | Very low | 110 Ų | 110 | 121.6 Ų | 121.6 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -74.7 | 107.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P610 | P610-A612 PolarHBondContact O-N 2.86Š| ||
| 613 | S | 27.4 | Very low | 25.5 | Very low | 111 Ų | 111 | 120.1 Ų | 120.1 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -108.2 | 107.2 | 165.8 | 56.2 | 0 | 0 | 0 | 0 | 110.1 | S611 S615 | S611-S613 PolarHBondContact O-N 2.93Å; S613-S615 PolarHBondContact O-N 2.71Å | ||
| 614 | S | 23.2 | Very low | 25.4 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -71.1 | 116 | 179.1 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 615 | S | 27.3 | Very low | 25.5 | Very low | 117 Ų | 117 | 115 Ų | 115 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -150.2 | 107.1 | 166.1 | -76.7 | 0 | 0 | 0 | 0 | 109.8 | S613 N617 | S613-S615 PolarHBondContact O-N 2.71Å; S615-N617 PolarHBondContact O-N 3Å | ||
| 616 | I | 24.8 | Very low | 25.9 | Very low | 169 Ų | 169 | 112.1 Ų | 112.1 | 87% | 0.867 | 73% | 0.73 | S | S | * | * | trans | -84.1 | 101.3 | -176.8 | -54.5 | 166.7 | 0 | 0 | 0 | 107.9 | ||||
| 617 | N | 24.3 | Very low | 26.8 | Very low | 128 Ų | 128 | 107.9 Ų | 107.9 | 68% | 0.684 | 72% | 0.715 | S | S | * | * | trans | -172.8 | 67.8 | 160.7 | -98.8 | -23 | 0 | 0 | 0 | 110.1 | S615 R1652 | S615-N617 PolarHBondContact O-N 3Å; N617-R1652 PolarHBondContact O-NH2 3.17Å | ||
| 618 | S | 21.6 | Very low | 28.2 | Very low | 115 Ų | 115 | 105 Ų | 105 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | trans | -95.6 | 87.9 | 170.5 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 619 | L | 24.3 | Very low | 29.9 | Very low | 135 Ų | 135 | 107.3 Ų | 107.3 | 71% | 0.707 | 69% | 0.685 | S | S | * | * | trans | -63.7 | 142.6 | 155.7 | -75.6 | 168.3 | 0 | 0 | 0 | 108.3 | ||||
| 620 | P | 22.9 | Very low | 32.3 | Very low | 101 Ų | 101 | 104 Ų | 104 | 66% | 0.656 | 66% | 0.661 | S | S | * | * | trans | -63.4 | 147.1 | 179 | 27.7 | -34.8 | 0 | 0 | 0 | 110.8 | T622 | P620-T622 VanDerWaalsContact C-N 3.31Å; P620-T622 PolarHBondContact O-N 2.86Å | ||
| 621 | L | 22 | Very low | 34.7 | Very low | 163 Ų | 163 | 98.2 Ų | 98.2 | 85% | 0.853 | 62% | 0.624 | S | S | * | * | trans | -72.7 | 87.4 | 172.2 | -81.9 | 79.3 | 0 | 0 | 0 | 109.7 | S623 | L621-S623 PolarHBondContact O-N 3.05Š| ||
| 622 | T | 26 | Very low | 36.9 | Very low | 96 Ų | 96 | 96 Ų | 96 | 59% | 0.589 | 61% | 0.606 | S | S | * | * | trans | -94.5 | 71.9 | 162.4 | 54.5 | 0 | 0 | 0 | 0 | 109.6 | P620 M624 | P620-T622 VanDerWaalsContact C-N 3.31Å; P620-T622 PolarHBondContact O-N 2.86Å; T622-M624 PolarHBondContact O-N 3.31Å | ||
| 623 | S | 27.9 | Very low | 39.5 | Very low | 91 Ų | 91 | 92.9 Ų | 92.9 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | trans | -71.6 | 24.1 | 164.9 | 57.7 | 0 | 0 | 0 | 0 | 112.8 | L621 G625 A626 | L621-S623 PolarHBondContact O-N 3.05Å; S623-G625 PolarHBondContact O-N 3.43Å; S623-G625 VanDerWaalsContact O-N 3.11Å; S623-A626 PolarHBondContact O-N 2.86Å; S623-A626 VanDerWaalsContact O-N 3.15Å | ||
| 624 | M | 27.7 | Very low | 42.4 | Very low | 114 Ų | 114 | 88.1 Ų | 88.1 | 56% | 0.562 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 2.6 | 174.8 | -64.7 | -65.1 | -172.6 | 0 | 0 | 113 | T622 A626 | T622-M624 PolarHBondContact O-N 3.31Å; M624-A626 PolarHBondContact O-N 3.09Å |
| 625 | G | 27.9 | Very low | 45.5 | Very low | 32 Ų | 32 | 83.1 Ų | 83.1 | 33% | 0.33 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S623 G627 | S623-G625 PolarHBondContact O-N 3.43Å; S623-G625 VanDerWaalsContact O-N 3.11Å; G625-G627 PolarHBondContact O-N 3.27Å |
| 626 | A | 34 | Very low | 48.6 | Very low | 53 Ų | 53 | 83.6 Ų | 83.6 | 44% | 0.438 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -77.1 | 104.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | S623 M624 V628 | S623-A626 PolarHBondContact O-N 2.86Å; S623-A626 VanDerWaalsContact O-N 3.15Å; M624-A626 PolarHBondContact O-N 3.09Å; A626-V628 PolarHBondContact O-N 2.88Å |
| 627 | G | 46.2 | Very low | 51.9 | Low | 56 Ų | 56 | 75.6 Ų | 75.6 | 58% | 0.577 | 46% | 0.456 | S | S | * | . | trans | -55.2 | 137.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | G625 E629 | G625-G627 PolarHBondContact O-N 3.27Å; G627-E629 PolarHBondContact O-N 3.23Å; G627-E629 VanDerWaalsContact O-N 3.09Å | ||
| 628 | V | 54.8 | Low | 55.2 | Low | 72 Ų | 72 | 70.6 Ų | 70.6 | 44% | 0.436 | 43% | 0.429 | S | S | . | . | trans | -50.1 | 117.7 | -168.1 | -169.4 | 0 | 0 | 0 | 0 | 110.4 | V369 A626 L630 | V369-V628 HydrophobicContact CB-CB 4.02Å; V369-V628 HydrophobicContact CB-CG1 3.69Å; V369-V628 HydrophobicContact CG1-CB 4.12Å; V369-V628 HydrophobicContact CG1-CG1 3.96Å; V369-V628 WeakPolarHBondContact CG1-O 3.37Å; A626-V628 PolarHBondContact O-N 2.88Å; V628-L630 PolarHBondContact O-N 2.91Å; V628-L630 VanDerWaalsContact O-N 3.08Å | ||
| 629 | E | 62.1 | Low | 58.6 | Low | 114 Ų | 114 | 68 Ų | 68 | 53% | 0.533 | 41% | 0.411 | S | S | . | . | trans | -65.9 | 114.1 | -165.8 | -66.4 | -169.9 | 134.1 | 0 | 0 | 111.4 | G627 A631 L1601 | G627-E629 PolarHBondContact O-N 3.23Å; G627-E629 VanDerWaalsContact O-N 3.09Å; E629-A631 PolarHBondContact O-N 3.21Å; E629-L1601 HydrophobicContact CB-CD2 4.47Å | ||
| 630 | L | 78.3 | Confident | 62 | Low | 46 Ų | 46 | 61.9 Ų | 61.9 | 24% | 0.241 | 38% | 0.379 | C | S | . | . | trans | -59.3 | 131.2 | 177.5 | -74.6 | 167.2 | 0 | 0 | 0 | 110.3 | L367 V369 V628 V632 A726 | L367-L630 HydrophobicContact CB-CD2 4.03Å; L367-L630 HydrophobicContact CD2-CD2 4.49Å; V369-L630 HydrophobicContact CG1-CD2 3.82Å; V369-L630 HydrophobicContact CG1-CG 4.33Å; V628-L630 PolarHBondContact O-N 2.91Å; V628-L630 VanDerWaalsContact O-N 3.08Å; L630-V632 PolarHBondContact O-N 3.22Å; L630-A726 HydrophobicContact CD1-CB 4.06Å; L630-A726 HydrophobicContact CD2-CB 3.8Å | ||
| 631 | A | 75.8 | Confident | 65.4 | Low | 8 Ų | 8 | 57 Ų | 57 | 7% | 0.066 | 35% | 0.348 | C | S | . | . | trans | -57.4 | 133.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F275 P276 L367 E629 A633 R634 | F275-A631 HydrophobicContact CD2-CB 4.13Å; F275-A631 HydrophobicContact CE2-CB 3.66Å; F275-A631 HydrophobicContact CZ-CB 4.02Å; P276-A631 HydrophobicContact CG-CB 3.96Å; L367-A631 PolarHBondContact O-N 3.06Å; L367-A631 VanDerWaalsContact O-N 3.08Å; E629-A631 PolarHBondContact O-N 3.21Å; A631-A633 PolarHBondContact O-N 3.08Å; A631-R634 HydrophobicContact CB-CB 4.22Å; A631-R634 VanDerWaalsContact O-CB 3.24Å; A631-R634 WeakPolarHBondContact O-CB 3.43Å; A631-R634 WeakPolarHBondContact O-CD 3.44Å; A631-R634 WeakPolarHBondContact O-CG 3.38Å; A631-R634 PolarHBondContact O-N 3.2Å; A631-R634 PolarHBondContact O-NH1 3.16Å | ||
| 632 | V | 73.9 | Confident | 68.8 | Low | 69 Ų | 69 | 54.3 Ų | 54.3 | 42% | 0.418 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -45.8 | 174.4 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | L630 R634 K728 L1601 | L630-V632 PolarHBondContact O-N 3.22Å; V632-R634 VanDerWaalsContact C-N 3.26Å; V632-R634 PolarHBondContact O-N 3.05Å; V632-K728 WeakPolarHBondContact O-CE 3.4Å; V632-K728 PolarHBondContact O-NZ 3.13Å; V632-L1601 HydrophobicContact CG2-CB 3.92Å; V632-L1601 HydrophobicContact CG2-CD1 3.79Å; V632-L1601 HydrophobicContact CG2-CG 4.44Å |
| 633 | A | 77.7 | Confident | 72 | Confident | 44 Ų | 44 | 51.5 Ų | 51.5 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 9.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y271 F275 A631 | Y271-A633 VanDerWaalsContact CD1-O 3.26Å; Y271-A633 WeakPolarHBondContact CD1-O 3.13Å; F275-A633 HydrophobicContact CD2-CB 4.18Å; A631-A633 PolarHBondContact O-N 3.08Å |
| 634 | R | 87.8 | Confident | 75.2 | Confident | 10 Ų | 10 | 47.2 Ų | 47.2 | 4% | 0.038 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 145.7 | -178.8 | 71.2 | -167.8 | -177.3 | -91.1 | 5.6 | 113.3 | A631 V632 A726 K728 E1598 | A631-R634 HydrophobicContact CB-CB 4.22Å; A631-R634 VanDerWaalsContact O-CB 3.24Å; A631-R634 WeakPolarHBondContact O-CB 3.43Å; A631-R634 WeakPolarHBondContact O-CD 3.44Å; A631-R634 WeakPolarHBondContact O-CG 3.38Å; A631-R634 PolarHBondContact O-N 3.2Å; A631-R634 PolarHBondContact O-NH1 3.16Å; V632-R634 VanDerWaalsContact C-N 3.26Å; V632-R634 PolarHBondContact O-N 3.05Å; R634-A726 VanDerWaalsContact CZ-O 3.29Å; R634-A726 PolarHBondContact NE-O 2.99Å; R634-A726 PolarHBondContact NH2-O 3.01Å; R634-K728 VanDerWaalsContact NH2-CG 3.32Å; R634-K728 PolarHBondContact O-NZ 3.06Å; R634-E1598 IonicContact CZ-OE1 2.74Å; R634-E1598 IonicContact NH1-OE1 3.95Å; R634-E1598 IonicContact NH2-OE1 3.7Å; R634-E1598 PolarHBondContact NH2-OE1 3.35Å |
| 635 | P | 88.9 | Confident | 78.2 | Confident | 12 Ų | 12 | 43.9 Ų | 43.9 | 8% | 0.078 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 164 | 176.4 | -8 | 20.2 | 0 | 0 | 0 | 111.6 | Y271 F366 I640 | Y271-P635 HydrophobicContact CE1-CG 4.32Å; Y271-P635 HydrophobicContact CE2-CG 4.31Å; Y271-P635 WeakPolarHBondContact OH-CG 3.14Å; F366-P635 HydrophobicContact CB-CG 4.23Å; F366-P635 HydrophobicContact CD1-CG 3.93Å; F366-P635 HydrophobicContact CG-CG 4.5Å; F366-P635 WeakPolarHBondContact O-CD 3.23Å; P635-I640 HydrophobicContact CB-CD1 4.44Å; P635-I640 HydrophobicContact CB-CG1 4.15Å; P635-I640 HydrophobicContact CG-CD1 4.34Å; P635-I640 HydrophobicContact CG-CG1 4.27Å |
| 636 | K | 91.4 | Very high | 81.2 | Confident | 127 Ų | 127 | 45.8 Ų | 45.8 | 55% | 0.552 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 143.7 | 169.9 | -72 | -166.7 | 176.8 | -168.5 | 0 | 111.2 | N638 S639 I640 E731 | K636-N638 PolarHBondContact O-N 3.18Å; K636-S639 WeakPolarHBondContact O-CA 3.36Å; K636-S639 WeakPolarHBondContact O-CB 3.41Å; K636-S639 PolarHBondContact O-N 3.37Å; K636-I640 PolarHBondContact O-N 3.34Å; K636-E731 VanDerWaalsContact C-OE1 3.31Å; K636-E731 WeakPolarHBondContact CA-OE1 3.3Å; K636-E731 WeakPolarHBondContact CB-OE1 3.45Å; K636-E731 HydrophobicContact CD-CG 4.45Å; K636-E731 HydrophobicContact CG-CG 4.46Å |
| 637 | C | 93.4 | Very high | 84 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -52.6 | -43.2 | 174.4 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | S639 I640 L641 I723 K727 E731 I733 | C637-S639 VanDerWaalsContact C-N 3.3Å; C637-S639 PolarHBondContact O-N 3.03Å; C637-I640 PolarHBondContact O-N 3.03Å; C637-L641 WeakPolarHBondContact O-CB 3.36Å; C637-L641 WeakPolarHBondContact O-CD1 3.35Å; C637-L641 VanDerWaalsContact O-CG 3.22Å; C637-L641 WeakPolarHBondContact O-CG 3.5Å; C637-L641 PolarHBondContact O-N 3.25Å; C637-I723 HydrophobicContact CB-CG2 4.22Å; C637-I723 PolarHBondContact SG-O 3.29Å; C637-K727 VanDerWaalsContact SG-CA 3.55Å; C637-K727 PolarHBondContact SG-N 3.02Å; C637-E731 PolarHBondContact N-OE1 2.91Å; C637-I733 HydrophobicContact CB-CD1 4.16Å; C637-I733 HydrophobicContact CB-CG1 4.35Å |
| 638 | N | 94.4 | Very high | 86.4 | Confident | 23 Ų | 23 | 40.7 Ų | 40.7 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.7 | -39.1 | 175.1 | -67.6 | -37.7 | 0 | 0 | 0 | 112.3 | K636 L641 H642 E732 L734 | K636-N638 PolarHBondContact O-N 3.18Å; N638-L641 PolarHBondContact O-N 3.16Å; N638-H642 WeakPolarHBondContact O-CB 3.49Å; N638-H642 PolarHBondContact O-CD2 3.24Å; N638-H642 VanDerWaalsContact O-CG 3.27Å; N638-H642 PolarHBondContact O-N 3.48Å; N638-E732 PolarHBondContact ND2-O 2.96Å; N638-L734 PolarHBondContact OD1-N 3.44Å |
| 639 | S | 93.4 | Very high | 88.3 | Confident | 62 Ų | 62 | 37.5 Ų | 37.5 | 43% | 0.434 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67 | -41.7 | 179.3 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | K636 C637 H642 | K636-S639 WeakPolarHBondContact O-CA 3.36Å; K636-S639 WeakPolarHBondContact O-CB 3.41Å; K636-S639 PolarHBondContact O-N 3.37Å; C637-S639 VanDerWaalsContact C-N 3.3Å; C637-S639 PolarHBondContact O-N 3.03Å; S639-H642 PolarHBondContact O-N 2.79Å |
| 640 | I | 94.4 | Very high | 89.7 | Confident | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.6 | -44.4 | 174.5 | -58.3 | 175.1 | 0 | 0 | 0 | 109.7 | V363 F366 L367 P635 K636 C637 H642 V643 F644 I723 | V363-I640 HydrophobicContact CG1-CG2 4.48Å; V363-I640 HydrophobicContact CG2-CG2 4.13Å; F366-I640 HydrophobicContact CB-CD1 4.05Å; F366-I640 HydrophobicContact CB-CG1 4.31Å; L367-I640 HydrophobicContact CD2-CD1 3.61Å; L367-I640 HydrophobicContact CG-CD1 4.28Å; P635-I640 HydrophobicContact CB-CD1 4.44Å; P635-I640 HydrophobicContact CB-CG1 4.15Å; P635-I640 HydrophobicContact CG-CD1 4.34Å; P635-I640 HydrophobicContact CG-CG1 4.27Å; K636-I640 PolarHBondContact O-N 3.34Å; C637-I640 PolarHBondContact O-N 3.03Å; I640-H642 PolarHBondContact O-N 2.92Å; I640-V643 PolarHBondContact O-N 2.83Å; I640-F644 HydrophobicContact CG2-CD2 3.89Å; I640-F644 HydrophobicContact CG2-CE2 4.37Å; I640-F644 WeakPolarHBondContact O-CD2 3.49Å; I640-F644 PolarHBondContact O-N 3.14Å; I640-F644 VanDerWaalsContact O-N 3.11Å; I640-I723 HydrophobicContact CG2-CD1 3.92Å; I640-I723 HydrophobicContact CG2-CG1 4.09Å |
| 641 | L | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -45.9 | 176.4 | -71.2 | 165.8 | 0 | 0 | 0 | 111.4 | C637 N638 V643 F644 H645 F649 L720 I723 F724 Y737 | C637-L641 WeakPolarHBondContact O-CB 3.36Å; C637-L641 WeakPolarHBondContact O-CD1 3.35Å; C637-L641 VanDerWaalsContact O-CG 3.22Å; C637-L641 WeakPolarHBondContact O-CG 3.5Å; C637-L641 PolarHBondContact O-N 3.25Å; N638-L641 PolarHBondContact O-N 3.16Å; L641-V643 PolarHBondContact O-N 3.03Å; L641-F644 PolarHBondContact O-N 3.47Å; L641-F644 VanDerWaalsContact O-N 3.1Å; L641-H645 HydrophobicContact CB-CB 4.23Å; L641-H645 HydrophobicContact CD2-CB 4.24Å; L641-H645 WeakPolarHBondContact O-CA 3.32Å; L641-H645 WeakPolarHBondContact O-CB 3.22Å; L641-H645 PolarHBondContact O-CD2 3.01Å; L641-H645 PolarHBondContact O-N 2.82Å; L641-F649 HydrophobicContact CD2-CE2 4.32Å; L641-F649 HydrophobicContact CD2-CZ 4.34Å; L641-L720 HydrophobicContact CD2-CD2 4.14Å; L641-I723 HydrophobicContact CD1-CG2 4.39Å; L641-I723 HydrophobicContact CD2-CD1 4.45Å; L641-I723 HydrophobicContact CD2-CG2 4.24Å; L641-I723 HydrophobicContact CG-CG2 4.02Å; L641-F724 HydrophobicContact CD1-CE2 3.98Å; L641-F724 HydrophobicContact CD1-CZ 3.99Å; L641-F724 HydrophobicContact CD2-CE2 4.12Å; L641-Y737 HydrophobicContact CB-CD2 3.96Å; L641-Y737 HydrophobicContact CB-CE2 3.96Å; L641-Y737 HydrophobicContact CB-CG 4.39Å; L641-Y737 HydrophobicContact CD1-CD2 3.81Å; L641-Y737 HydrophobicContact CD1-CG 4Å; L641-Y737 HydrophobicContact CG-CD2 4.5Å |
| 642 | H | 93.5 | Very high | 91.1 | Very high | 106 Ų | 106 | 33.5 Ų | 33.5 | 49% | 0.491 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -54.2 | -25.5 | 177.6 | -76.8 | -52.2 | 0 | 0 | 0 | 114.1 | N638 S639 I640 Y737 | N638-H642 WeakPolarHBondContact O-CB 3.49Å; N638-H642 PolarHBondContact O-CD2 3.24Å; N638-H642 VanDerWaalsContact O-CG 3.27Å; N638-H642 PolarHBondContact O-N 3.48Å; S639-H642 PolarHBondContact O-N 2.79Å; I640-H642 PolarHBondContact O-N 2.92Å; H642-Y737 AromaticContact CE1-CE2 3.98Å; H642-Y737 PolarHBondContact CE1-OH 2.88Å; H642-Y737 VanDerWaalsContact CE1-OH 3.23Å; H642-Y737 AromaticContact ND1-CZ 3.96Å; H642-Y737 PolarHBondContact ND1-OH 2.69Å |
| 643 | V | 92.7 | Very high | 91.8 | Very high | 37 Ų | 37 | 31.7 Ų | 31.7 | 22% | 0.224 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -84.5 | -50 | 173.5 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | W301 L305 R306 I640 L641 | W301-V643 HydrophobicContact CH2-CG1 3.93Å; W301-V643 HydrophobicContact CH2-CG2 4.29Å; W301-V643 HydrophobicContact CZ2-CG1 4.45Å; L305-V643 HydrophobicContact CD2-CG1 3.6Å; R306-V643 PolarHBondContact NH2-O 3.2Å; I640-V643 PolarHBondContact O-N 2.83Å; L641-V643 PolarHBondContact O-N 3.03Å |
| 644 | F | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -108.5 | -10.2 | -163.7 | -60.2 | -74.4 | 0 | 0 | 0 | 116 | L305 I359 Q362 V363 F366 I640 L641 E646 W647 L648 | L305-F644 HydrophobicContact CD1-CE1 4.07Å; L305-F644 HydrophobicContact CD2-CE1 4.1Å; L305-F644 HydrophobicContact CD2-CZ 4.39Å; I359-F644 HydrophobicContact CG2-CD1 3.72Å; I359-F644 HydrophobicContact CG2-CE1 4.22Å; I359-F644 HydrophobicContact CG2-CG 4.33Å; Q362-F644 HydrophobicContact CB-CE1 4.44Å; Q362-F644 HydrophobicContact CB-CZ 4.03Å; V363-F644 HydrophobicContact CG2-CD2 3.91Å; V363-F644 HydrophobicContact CG2-CE2 4.15Å; V363-F644 HydrophobicContact CG2-CG 4.27Å; F366-F644 AromaticContact CD2-CE2 3.98Å; F366-F644 HydrophobicContact CD2-CE2 3.98Å; F366-F644 HydrophobicContact CD2-CZ 4.39Å; F366-F644 AromaticContact CE2-CE2 3.94Å; F366-F644 HydrophobicContact CE2-CE2 3.94Å; F366-F644 HydrophobicContact CE2-CZ 4.08Å; I640-F644 HydrophobicContact CG2-CD2 3.89Å; I640-F644 HydrophobicContact CG2-CE2 4.37Å; I640-F644 WeakPolarHBondContact O-CD2 3.49Å; I640-F644 PolarHBondContact O-N 3.14Å; I640-F644 VanDerWaalsContact O-N 3.11Å; L641-F644 PolarHBondContact O-N 3.47Å; L641-F644 VanDerWaalsContact O-N 3.1Å; F644-E646 VanDerWaalsContact C-N 3.26Å; F644-E646 PolarHBondContact O-N 3.19Å; F644-E646 VanDerWaalsContact O-N 3.16Å; F644-W647 HydrophobicContact CD1-CE3 4.36Å; F644-W647 HydrophobicContact CD1-CZ3 4.44Å; F644-W647 PolarHBondContact O-N 3.1Å; F644-L648 HydrophobicContact CB-CD1 3.79Å; F644-L648 HydrophobicContact CB-CG 4.23Å; F644-L648 PolarHBondContact O-N 3.34Å |
| 645 | H | 91.7 | Very high | 91.6 | Very high | 44 Ų | 44 | 29.9 Ų | 29.9 | 20% | 0.204 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61 | -31.6 | -169 | 69.8 | 60 | 0 | 0 | 0 | 114.2 | L641 F649 Y737 | L641-H645 HydrophobicContact CB-CB 4.23Å; L641-H645 HydrophobicContact CD2-CB 4.24Å; L641-H645 WeakPolarHBondContact O-CA 3.32Å; L641-H645 WeakPolarHBondContact O-CB 3.22Å; L641-H645 PolarHBondContact O-CD2 3.01Å; L641-H645 PolarHBondContact O-N 2.82Å; H645-F649 HydrophobicContact CB-CD2 3.81Å; H645-F649 HydrophobicContact CB-CE2 3.84Å; H645-F649 VanDerWaalsContact O-CB 3.3Å; H645-F649 WeakPolarHBondContact O-CB 3.43Å; H645-F649 WeakPolarHBondContact O-CD2 3.4Å; H645-F649 PolarHBondContact O-N 3.08Å; H645-Y737 HydrophobicContact CB-CD1 4.42Å; H645-Y737 HydrophobicContact CB-CE1 4.09Å; H645-Y737 AromaticContact CD2-CE1 3.19Å; H645-Y737 WeakPolarHBondContact CD2-CE1 3.38Å; H645-Y737 AromaticContact CD2-CZ 3.28Å; H645-Y737 PolarHBondContact CD2-OH 2.97Å; H645-Y737 AromaticContact CG-CE1 3.63Å; H645-Y737 AromaticContact NE2-CE1 3.59Å; H645-Y737 AromaticContact NE2-CZ 3.67Å; H645-Y737 PolarHBondContact NE2-OH 3.4Å |
| 646 | E | 90.2 | Very high | 91 | Very high | 73 Ų | 73 | 29.9 Ų | 29.9 | 34% | 0.341 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -60.5 | -51.2 | -178.2 | -176.4 | -177.8 | -166.6 | 0 | 0 | 109.3 | R306 F644 E650 | R306-E646 IonicContact CZ-OE2 3.98Å; R306-E646 IonicContact NH1-OE2 3.47Å; R306-E646 PolarHBondContact NH1-OE2 3.04Å; R306-E646 IonicContact NH2-OE2 2.72Å; R306-E646 PolarHBondContact NH2-OE2 3.46Å; F644-E646 VanDerWaalsContact C-N 3.26Å; F644-E646 PolarHBondContact O-N 3.19Å; F644-E646 VanDerWaalsContact O-N 3.16Å; E646-E650 WeakPolarHBondContact O-CB 3.48Å; E646-E650 VanDerWaalsContact O-CG 3.28Å; E646-E650 WeakPolarHBondContact O-CG 3.25Å; E646-E650 PolarHBondContact O-N 2.8Å |
| 647 | W | 94.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -75.7 | -45.3 | -177.2 | -51.4 | -26.1 | 0 | 0 | 0 | 111.6 | L305 N310 P311 I359 F644 A651 | L305-W647 HydrophobicContact CD1-CH2 4.23Å; L305-W647 HydrophobicContact CD1-CZ3 3.84Å; L305-W647 HydrophobicContact CG-CH2 3.97Å; L305-W647 HydrophobicContact CG-CZ3 3.98Å; L305-W647 WeakPolarHBondContact O-CH2 3.37Å; N310-W647 VanDerWaalsContact CG-CD1 3.47Å; N310-W647 VanDerWaalsContact OD1-CD1 3.26Å; P311-W647 HydrophobicContact CG-CB 4.43Å; P311-W647 HydrophobicContact CG-CD2 4.26Å; P311-W647 HydrophobicContact CG-CG 4.24Å; I359-W647 HydrophobicContact CD1-CD2 4.47Å; I359-W647 HydrophobicContact CD1-CE3 3.67Å; I359-W647 HydrophobicContact CD1-CZ3 4.28Å; I359-W647 HydrophobicContact CG1-CE3 4.39Å; F644-W647 HydrophobicContact CD1-CE3 4.36Å; F644-W647 HydrophobicContact CD1-CZ3 4.44Å; F644-W647 PolarHBondContact O-N 3.1Å; W647-A651 WeakPolarHBondContact O-CB 3.33Å; W647-A651 PolarHBondContact O-N 2.97Å |
| 648 | L | 95.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.6 | -44.8 | -177.7 | -70.4 | 177.7 | 0 | 0 | 0 | 112.6 | I359 F644 A652 A716 T719 L720 I723 | I359-L648 HydrophobicContact CG2-CD2 3.91Å; I359-L648 HydrophobicContact CG2-CG 4.27Å; F644-L648 HydrophobicContact CB-CD1 3.79Å; F644-L648 HydrophobicContact CB-CG 4.23Å; F644-L648 PolarHBondContact O-N 3.34Å; L648-A652 WeakPolarHBondContact O-CB 3.43Å; L648-A652 PolarHBondContact O-N 3.14Å; L648-A716 HydrophobicContact CD2-CB 4.24Å; L648-T719 HydrophobicContact CD1-CG2 3.85Å; L648-T719 HydrophobicContact CD2-CG2 3.88Å; L648-L720 HydrophobicContact CB-CD1 4.28Å; L648-L720 HydrophobicContact CB-CD2 3.77Å; L648-L720 HydrophobicContact CB-CG 3.91Å; L648-L720 HydrophobicContact CD1-CD2 4.13Å; L648-L720 HydrophobicContact CD1-CG 4.5Å; L648-I723 HydrophobicContact CD1-CD1 3.67Å |
| 649 | F | 94.5 | Very high | 87.6 | Confident | 5 Ų | 5 | 31 Ų | 31 | 2% | 0.022 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.3 | -43 | 177 | -71.5 | -53 | 0 | 0 | 0 | 111.9 | L641 H645 A651 A652 H653 L720 F724 Y737 R740 F741 | L641-F649 HydrophobicContact CD2-CE2 4.32Å; L641-F649 HydrophobicContact CD2-CZ 4.34Å; H645-F649 HydrophobicContact CB-CD2 3.81Å; H645-F649 HydrophobicContact CB-CE2 3.84Å; H645-F649 VanDerWaalsContact O-CB 3.3Å; H645-F649 WeakPolarHBondContact O-CB 3.43Å; H645-F649 WeakPolarHBondContact O-CD2 3.4Å; H645-F649 PolarHBondContact O-N 3.08Å; F649-A651 VanDerWaalsContact C-N 3.31Å; F649-A651 PolarHBondContact O-N 3.14Å; F649-A652 PolarHBondContact O-N 3.2Å; F649-H653 PolarHBondContact O-N 3.15Å; F649-H653 PolarHBondContact O-ND1 2.62Å; F649-L720 HydrophobicContact CD1-CD1 3.56Å; F649-L720 HydrophobicContact CD1-CD2 4.08Å; F649-L720 HydrophobicContact CE1-CD1 3.74Å; F649-L720 HydrophobicContact CE1-CD2 3.71Å; F649-L720 HydrophobicContact CE1-CG 4.36Å; F649-L720 HydrophobicContact CG-CD1 4.46Å; F649-L720 HydrophobicContact CZ-CD2 3.99Å; F649-F724 HydrophobicContact CZ-CE2 4.21Å; F649-F724 HydrophobicContact CZ-CZ 4.36Å; F649-Y737 AromaticContact CE2-CD1 3.92Å; F649-Y737 HydrophobicContact CE2-CD1 3.92Å; F649-R740 HydrophobicContact CD1-CB 4.02Å; F649-R740 HydrophobicContact CD2-CB 4.09Å; F649-R740 HydrophobicContact CE1-CB 3.94Å; F649-R740 HydrophobicContact CE2-CB 3.99Å; F649-R740 HydrophobicContact CG-CB 4.12Å; F649-R740 HydrophobicContact CZ-CB 3.92Å; F649-F741 HydrophobicContact CE1-CB 3.84Å; F649-F741 HydrophobicContact CZ-CB 4.18Å |
| 650 | E | 91 | Very high | 86.5 | Confident | 85 Ų | 85 | 33.7 Ų | 33.7 | 40% | 0.397 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 176.7 | -75.3 | -176 | -175.8 | 0 | 0 | 111.9 | N310 T312 E646 H653 I654 | N310-E650 PolarHBondContact ND2-OE2 3.29Å; T312-E650 HydrophobicContact CG2-CB 3.62Å; T312-E650 PolarHBondContact OG1-OE2 3.09Å; E646-E650 WeakPolarHBondContact O-CB 3.48Å; E646-E650 VanDerWaalsContact O-CG 3.28Å; E646-E650 WeakPolarHBondContact O-CG 3.25Å; E646-E650 PolarHBondContact O-N 2.8Å; E650-H653 PolarHBondContact O-N 3.42Å; E650-I654 PolarHBondContact O-N 3.31Å |
| 651 | A | 92.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T312 F352 M356 W647 F649 H653 I654 A716 | T312-A651 HydrophobicContact CG2-CB 4.17Å; F352-A651 HydrophobicContact CE2-CB 4.35Å; F352-A651 HydrophobicContact CZ-CB 3.86Å; M356-A651 HydrophobicContact SD-CB 3.68Å; W647-A651 WeakPolarHBondContact O-CB 3.33Å; W647-A651 PolarHBondContact O-N 2.97Å; F649-A651 VanDerWaalsContact C-N 3.31Å; F649-A651 PolarHBondContact O-N 3.14Å; A651-H653 VanDerWaalsContact C-N 3.25Å; A651-H653 PolarHBondContact O-N 2.9Å; A651-I654 HydrophobicContact CB-CD1 4.44Å; A651-I654 WeakPolarHBondContact O-CB 3.49Å; A651-I654 WeakPolarHBondContact O-CD1 3.45Å; A651-I654 WeakPolarHBondContact O-CG1 3.32Å; A651-I654 PolarHBondContact O-N 3.35Å; A651-A716 HydrophobicContact CB-CB 3.49Å; A651-A716 VanDerWaalsContact CB-CB 3.49Å |
| 652 | A | 91.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.7 | -30.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L648 F649 R713 I717 L720 A744 | L648-A652 WeakPolarHBondContact O-CB 3.43Å; L648-A652 PolarHBondContact O-N 3.14Å; F649-A652 PolarHBondContact O-N 3.2Å; A652-R713 PolarHBondContact O-NE 3.34Å; A652-I717 HydrophobicContact CB-CB 4.11Å; A652-I717 HydrophobicContact CB-CD1 4.03Å; A652-L720 HydrophobicContact CB-CD1 4.03Å; A652-A744 HydrophobicContact CB-CB 4.08Å |
| 653 | H | 89 | Confident | 82.9 | Confident | 30 Ų | 30 | 43.2 Ų | 43.2 | 14% | 0.139 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -81.6 | -10.5 | -180 | -72.1 | 92.1 | 0 | 0 | 0 | 114.3 | F649 E650 A651 G656 T658 W659 Q747 | F649-H653 PolarHBondContact O-N 3.15Å; F649-H653 PolarHBondContact O-ND1 2.62Å; E650-H653 PolarHBondContact O-N 3.42Å; A651-H653 VanDerWaalsContact C-N 3.25Å; A651-H653 PolarHBondContact O-N 2.9Å; H653-G656 PolarHBondContact O-N 3.06Å; H653-T658 PolarHBondContact CD2-OG1 2.93Å; H653-T658 VanDerWaalsContact CD2-OG1 3.29Å; H653-W659 HydrophobicContact CB-CB 4.43Å; H653-W659 WeakPolarHBondContact O-CB 3.43Å; H653-Q747 PolarHBondContact O-NE2 2.63Å |
| 654 | I | 85.3 | Confident | 81.6 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | 140.5 | -177.7 | -71.4 | 171.5 | 0 | 0 | 0 | 112.2 | C315 F352 E650 A651 G656 I706 R713 | C315-I654 HydrophobicContact CB-CD1 4.06Å; C315-I654 VanDerWaalsContact SG-CD1 3.51Å; F352-I654 HydrophobicContact CE1-CD1 3.88Å; F352-I654 HydrophobicContact CE2-CD1 4.18Å; F352-I654 HydrophobicContact CZ-CD1 3.45Å; F352-I654 VanDerWaalsContact CZ-CD1 3.45Å; E650-I654 PolarHBondContact O-N 3.31Å; A651-I654 HydrophobicContact CB-CD1 4.44Å; A651-I654 WeakPolarHBondContact O-CB 3.49Å; A651-I654 WeakPolarHBondContact O-CD1 3.45Å; A651-I654 WeakPolarHBondContact O-CG1 3.32Å; A651-I654 PolarHBondContact O-N 3.35Å; I654-G656 PolarHBondContact O-N 2.87Å; I654-I706 HydrophobicContact CG2-CD1 3.71Å; I654-I706 HydrophobicContact CG2-CG1 3.89Å; I654-R713 VanDerWaalsContact O-CD 3.32Å; I654-R713 WeakPolarHBondContact O-CD 3.5Å; I654-R713 PolarHBondContact O-NE 3.21Å |
| 655 | G | 75.7 | Confident | 80.2 | Confident | 14 Ų | 14 | 53 Ų | 53 | 14% | 0.144 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -22.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | R660 | G655-R660 VanDerWaalsContact O-CZ 3.26Å; G655-R660 PolarHBondContact O-NE 3.34Å; G655-R660 PolarHBondContact O-NH2 2.73Å |
| 656 | G | 75.6 | Confident | 78.8 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -86.9 | 177.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | H653 I654 T658 W659 R660 | H653-G656 PolarHBondContact O-N 3.06Å; I654-G656 PolarHBondContact O-N 2.87Å; G656-T658 PolarHBondContact O-N 3.16Å; G656-W659 PolarHBondContact O-N 3.23Å; G656-R660 WeakPolarHBondContact O-CG 3.49Å; G656-R660 PolarHBondContact O-N 3.32Å |
| 657 | D | 69.6 | Low | 77.3 | Confident | 80 Ų | 80 | 55.1 Ų | 55.1 | 43% | 0.428 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.2 | -46 | -167.2 | -53 | -50.3 | 0 | 0 | 0 | 113.2 | W659 R660 Q661 K750 | D657-W659 VanDerWaalsContact C-N 3.35Å; D657-W659 PolarHBondContact O-N 3.35Å; D657-R660 PolarHBondContact O-N 3.37Å; D657-Q661 WeakPolarHBondContact O-CG 3.1Å; D657-Q661 PolarHBondContact O-N 2.77Å; D657-K750 IonicContact OD2-NZ 2.7Å; D657-K750 PolarHBondContact OD2-NZ 3.1Å |
| 658 | T | 68.4 | Low | 75.6 | Confident | 51 Ų | 51 | 58 Ų | 58 | 31% | 0.313 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | -177.5 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | H653 G656 Q661 N662 Q747 | H653-T658 PolarHBondContact CD2-OG1 2.93Å; H653-T658 VanDerWaalsContact CD2-OG1 3.29Å; G656-T658 PolarHBondContact O-N 3.16Å; T658-Q661 PolarHBondContact O-N 2.91Å; T658-N662 WeakPolarHBondContact O-CB 3.08Å; T658-N662 PolarHBondContact O-N 3.01Å; T658-N662 PolarHBondContact O-ND2 3.3Å; T658-N662 VanDerWaalsContact O-ND2 3.16Å; T658-Q747 PolarHBondContact OG1-OE1 3.29Å |
| 659 | W | 71.3 | Confident | 73.8 | Confident | 45 Ų | 45 | 62.8 Ų | 62.8 | 17% | 0.17 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.9 | -41.6 | 176.2 | -179.9 | 97.5 | 0 | 0 | 0 | 110.9 | H653 G656 D657 Q661 N662 R663 I706 | H653-W659 HydrophobicContact CB-CB 4.43Å; H653-W659 WeakPolarHBondContact O-CB 3.43Å; G656-W659 PolarHBondContact O-N 3.23Å; D657-W659 VanDerWaalsContact C-N 3.35Å; D657-W659 PolarHBondContact O-N 3.35Å; W659-Q661 PolarHBondContact O-N 2.9Å; W659-N662 PolarHBondContact O-N 2.9Å; W659-R663 PolarHBondContact O-N 3.23Å; W659-I706 HydrophobicContact CH2-CD1 3.52Å; W659-I706 HydrophobicContact CH2-CG1 4.01Å; W659-I706 HydrophobicContact CZ2-CD1 4.04Å; W659-I706 HydrophobicContact CZ3-CD1 4.08Å; W659-I706 HydrophobicContact CZ3-CG1 4.03Å |
| 660 | R | 70.1 | Confident | 71.8 | Confident | 118 Ų | 118 | 65.8 Ų | 65.8 | 45% | 0.445 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 173.9 | -67.3 | -178.9 | -163.6 | -128.8 | 2 | 111.6 | G655 G656 D657 K664 | G655-R660 VanDerWaalsContact O-CZ 3.26Å; G655-R660 PolarHBondContact O-NE 3.34Å; G655-R660 PolarHBondContact O-NH2 2.73Å; G656-R660 WeakPolarHBondContact O-CG 3.49Å; G656-R660 PolarHBondContact O-N 3.32Å; D657-R660 PolarHBondContact O-N 3.37Å; R660-K664 WeakPolarHBondContact O-CB 3.24Å; R660-K664 WeakPolarHBondContact O-CG 3.31Å; R660-K664 PolarHBondContact O-N 2.85Å; R660-K664 VanDerWaalsContact O-N 3.12Å |
| 661 | Q | 69.2 | Low | 70.1 | Confident | 138 Ų | 138 | 66.4 Ų | 66.4 | 65% | 0.645 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.2 | -45.6 | 173.9 | -77.4 | -178.4 | -17.4 | 0 | 0 | 112.3 | D657 T658 W659 R663 K664 K665 | D657-Q661 WeakPolarHBondContact O-CG 3.1Å; D657-Q661 PolarHBondContact O-N 2.77Å; T658-Q661 PolarHBondContact O-N 2.91Å; W659-Q661 PolarHBondContact O-N 2.9Å; Q661-R663 PolarHBondContact O-N 2.79Å; Q661-K664 WeakPolarHBondContact O-CB 3.4Å; Q661-K664 PolarHBondContact O-N 2.66Å; Q661-K665 WeakPolarHBondContact O-CB 3.43Å; Q661-K665 PolarHBondContact O-N 3Å |
| 662 | N | 69.6 | Low | 68 | Low | 91 Ų | 91 | 73.5 Ų | 73.5 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 178.8 | -80.7 | -40.9 | 0 | 0 | 0 | 112.4 | T658 W659 K665 Q666 | T658-N662 WeakPolarHBondContact O-CB 3.08Å; T658-N662 PolarHBondContact O-N 3.01Å; T658-N662 PolarHBondContact O-ND2 3.3Å; T658-N662 VanDerWaalsContact O-ND2 3.16Å; W659-N662 PolarHBondContact O-N 2.9Å; N662-K665 PolarHBondContact O-N 3.19Å; N662-Q666 WeakPolarHBondContact O-CB 3.33Å; N662-Q666 WeakPolarHBondContact O-CG 3.44Å; N662-Q666 PolarHBondContact O-N 2.9Å |
| 663 | R | 67.4 | Low | 65.5 | Low | 81 Ų | 81 | 83.5 Ų | 83.5 | 31% | 0.306 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 171.5 | -117.4 | -169.5 | -171.5 | -177.1 | 13.7 | 111.6 | C315 S316 W659 Q661 K665 Q666 A667 | C315-R663 PolarHBondContact O-NH2 2.72Å; S316-R663 PolarHBondContact OG-NH2 2.94Å; W659-R663 PolarHBondContact O-N 3.23Å; Q661-R663 PolarHBondContact O-N 2.79Å; R663-K665 VanDerWaalsContact C-N 3.34Å; R663-K665 PolarHBondContact O-N 2.86Å; R663-Q666 PolarHBondContact O-N 3.08Å; R663-A667 WeakPolarHBondContact O-CB 3.14Å; R663-A667 PolarHBondContact O-N 3.11Å |
| 664 | K | 66 | Low | 62.9 | Low | 123 Ų | 123 | 87.4 Ų | 87.4 | 54% | 0.535 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 175.5 | -77.6 | 175.2 | 177.7 | -176.4 | 0 | 112.1 | R660 Q661 A667 C668 N695 | R660-K664 WeakPolarHBondContact O-CB 3.24Å; R660-K664 WeakPolarHBondContact O-CG 3.31Å; R660-K664 PolarHBondContact O-N 2.85Å; R660-K664 VanDerWaalsContact O-N 3.12Å; Q661-K664 WeakPolarHBondContact O-CB 3.4Å; Q661-K664 PolarHBondContact O-N 2.66Å; K664-A667 PolarHBondContact O-N 3.02Å; K664-C668 WeakPolarHBondContact O-CB 3.31Å; K664-C668 PolarHBondContact O-N 2.88Å; K664-N695 VanDerWaalsContact CG-OD1 3.32Å; K664-N695 WeakPolarHBondContact CG-OD1 3.47Å |
| 665 | K | 65.5 | Low | 60.6 | Low | 120 Ų | 120 | 93.6 Ų | 93.6 | 52% | 0.522 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.8 | -49.7 | 176.9 | -176.1 | 174.3 | 173.7 | 179.2 | 0 | 111.6 | Q661 N662 R663 A667 C668 E669 | Q661-K665 WeakPolarHBondContact O-CB 3.43Å; Q661-K665 PolarHBondContact O-N 3Å; N662-K665 PolarHBondContact O-N 3.19Å; R663-K665 VanDerWaalsContact C-N 3.34Å; R663-K665 PolarHBondContact O-N 2.86Å; K665-A667 VanDerWaalsContact C-N 3.33Å; K665-A667 PolarHBondContact O-N 3.47Å; K665-C668 PolarHBondContact O-N 3.39Å; K665-C668 VanDerWaalsContact O-N 3.13Å; K665-E669 WeakPolarHBondContact CE-OE1 3.4Å; K665-E669 HydrophobicContact CG-CG 4.48Å; K665-E669 IonicContact NZ-OE1 3.69Å; K665-E669 WeakPolarHBondContact O-CG 3.42Å; K665-E669 PolarHBondContact O-N 3.41Å |
| 666 | Q | 62.4 | Low | 58.7 | Low | 132 Ų | 132 | 97.3 Ų | 97.3 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.7 | -40.1 | 176.2 | -74.3 | -179 | -2.3 | 0 | 0 | 112.4 | N662 R663 E669 A670 | N662-Q666 WeakPolarHBondContact O-CB 3.33Å; N662-Q666 WeakPolarHBondContact O-CG 3.44Å; N662-Q666 PolarHBondContact O-N 2.9Å; R663-Q666 PolarHBondContact O-N 3.08Å; Q666-E669 PolarHBondContact O-N 3.32Å; Q666-A670 VanDerWaalsContact O-CB 3.26Å; Q666-A670 WeakPolarHBondContact O-CB 3.19Å; Q666-A670 PolarHBondContact O-N 2.88Å |
| 667 | A | 58.5 | Low | 56.7 | Low | 29 Ų | 29 | 105.5 Ų | 105.5 | 24% | 0.24 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R663 K664 K665 S671 | R663-A667 WeakPolarHBondContact O-CB 3.14Å; R663-A667 PolarHBondContact O-N 3.11Å; K664-A667 PolarHBondContact O-N 3.02Å; K665-A667 VanDerWaalsContact C-N 3.33Å; K665-A667 PolarHBondContact O-N 3.47Å; A667-S671 PolarHBondContact O-N 3.27Å; A667-S671 VanDerWaalsContact O-N 3.08Å |
| 668 | C | 59.6 | Low | 55.3 | Low | 62 Ų | 62 | 110.3 Ų | 110.3 | 42% | 0.419 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.1 | -37.2 | 176.8 | -168.4 | 0 | 0 | 0 | 0 | 112.7 | K664 K665 K672 | K664-C668 WeakPolarHBondContact O-CB 3.31Å; K664-C668 PolarHBondContact O-N 2.88Å; K665-C668 PolarHBondContact O-N 3.39Å; K665-C668 VanDerWaalsContact O-N 3.13Å; C668-K672 WeakPolarHBondContact O-CD 3.33Å; C668-K672 VanDerWaalsContact O-CG 3.3Å; C668-K672 WeakPolarHBondContact O-CG 3.34Å; C668-K672 PolarHBondContact O-N 3.23Å |
| 669 | E | 56.5 | Low | 53.7 | Low | 100 Ų | 100 | 115.8 Ų | 115.8 | 47% | 0.467 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -73.5 | -37.9 | 176.3 | -73.2 | 174.6 | 179.7 | 0 | 0 | 112.3 | K665 Q666 S671 K672 | K665-E669 WeakPolarHBondContact CE-OE1 3.4Å; K665-E669 HydrophobicContact CG-CG 4.48Å; K665-E669 IonicContact NZ-OE1 3.69Å; K665-E669 WeakPolarHBondContact O-CG 3.42Å; K665-E669 PolarHBondContact O-N 3.41Å; Q666-E669 PolarHBondContact O-N 3.32Å; E669-S671 VanDerWaalsContact C-N 3.28Å; E669-S671 PolarHBondContact O-N 2.98Å; E669-K672 PolarHBondContact O-N 3.19Å |
| 670 | A | 52.7 | Low | 51.9 | Low | 69 Ų | 69 | 122.5 Ų | 122.5 | 57% | 0.57 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -60.5 | -39.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q666 K672 | Q666-A670 VanDerWaalsContact O-CB 3.26Å; Q666-A670 WeakPolarHBondContact O-CB 3.19Å; Q666-A670 PolarHBondContact O-N 2.88Å; A670-K672 PolarHBondContact O-N 2.99Å |
| 671 | S | 55.1 | Low | 50.1 | Low | 97 Ų | 97 | 124.5 Ų | 124.5 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -7.8 | 174.5 | -171.9 | 0 | 0 | 0 | 0 | 114.4 | A667 E669 | A667-S671 PolarHBondContact O-N 3.27Å; A667-S671 VanDerWaalsContact O-N 3.08Å; E669-S671 VanDerWaalsContact C-N 3.28Å; E669-S671 PolarHBondContact O-N 2.98Å |
| 672 | K | 48.6 | Very low | 48.5 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 65% | 0.652 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | 0.4 | -176.7 | -77.3 | 172.4 | -179.3 | 175.4 | 0 | 114.5 | C668 E669 A670 P674 | C668-K672 WeakPolarHBondContact O-CD 3.33Å; C668-K672 VanDerWaalsContact O-CG 3.3Å; C668-K672 WeakPolarHBondContact O-CG 3.34Å; C668-K672 PolarHBondContact O-N 3.23Å; E669-K672 PolarHBondContact O-N 3.19Å; A670-K672 PolarHBondContact O-N 2.99Å; K672-P674 WeakPolarHBondContact O-CD 3.3Å |
| 673 | R | 39.2 | Very low | 46.6 | Very low | 210 Ų | 210 | 135.6 Ų | 135.6 | 79% | 0.792 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -75.4 | 121.9 | 173.3 | -71 | -174.4 | 176.8 | 178.7 | -0.2 | 110 | S675 | R673-S675 PolarHBondContact O-N 3.35Š|
| 674 | P | 34.9 | Very low | 44.9 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 72% | 0.721 | 70% | 0.701 | S | S | * | * | trans | -75.6 | 116.2 | -179.4 | 29.4 | -33.3 | 0 | 0 | 0 | 111.1 | K672 S676 | K672-P674 WeakPolarHBondContact O-CD 3.3Å; P674-S676 PolarHBondContact O-N 3.34Å; P674-S676 PolarHBondContact O-OG 3.49Å | ||
| 675 | S | 37.1 | Very low | 43.2 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 94% | 0.937 | 72% | 0.716 | S | S | * | * | trans | -63.2 | 99.4 | 171.1 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | R673 | R673-S675 PolarHBondContact O-N 3.35Š| ||
| 676 | S | 34.8 | Very low | 41.7 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | trans | -140.9 | 143.5 | 177.9 | 54.3 | 0 | 0 | 0 | 0 | 110.3 | P674 | P674-S676 PolarHBondContact O-N 3.34Å; P674-S676 PolarHBondContact O-OG 3.49Å | ||
| 677 | M | 33.4 | Very low | 40.1 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 90% | 0.901 | 74% | 0.742 | S | S | * | * | trans | 60.2 | 81.1 | -174.7 | -54.9 | -160.9 | -56.5 | 0 | 0 | 116.4 | ||||
| 678 | I | 40.1 | Very low | 39 | Very low | 180 Ų | 180 | 143.3 Ų | 143.3 | 92% | 0.923 | 77% | 0.772 | S | S | * | * | -149.5 | 135.3 | 117.5 | -98 | 152.9 | 0 | 0 | 0 | 106.9 | |||||
| 679 | M | 34.8 | Very low | 37.6 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 82% | 0.823 | 79% | 0.786 | S | S | * | * | trans | -140.1 | 106.1 | -177.4 | 169.3 | 179.8 | 162.7 | 0 | 0 | 108.5 | ||||
| 680 | E | 34.7 | Very low | 36.2 | Very low | 186 Ų | 186 | 149.1 Ų | 149.1 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -162.1 | 163.9 | 149.6 | -120.5 | 171.5 | -162.3 | 0 | 0 | 112.8 | ||||
| 681 | H | 32.6 | Very low | 35.3 | Very low | 160 Ų | 160 | 150.6 Ų | 150.6 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | -87 | 139 | -157.5 | -59.5 | -100.9 | 0 | 0 | 0 | 114.7 | ||||
| 682 | R | 35 | Very low | 34.2 | Very low | 246 Ų | 246 | 153.3 Ų | 153.3 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | -175.5 | 151.9 | 102.2 | -97.6 | 170 | -174.4 | -164.6 | 2.6 | 114.8 | |||||
| 683 | K | 28.9 | Very low | 33.6 | Very low | 215 Ų | 215 | 149 Ų | 149 | 94% | 0.935 | 80% | 0.804 | S | S | * | * | trans | -39.2 | 132.6 | -175.7 | -60.6 | 173.7 | 174.8 | -178.3 | 0 | 116.9 | ||||
| 684 | G | 32.3 | Very low | 33.7 | Very low | 79 Ų | 79 | 144.6 Ų | 144.6 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | 176.3 | 101.6 | 161 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 685 | S | 30.2 | Very low | 34.1 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -99.2 | 111.2 | -170.8 | 177.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 686 | I | 34.6 | Very low | 34.5 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | -142.3 | 118.1 | 152.9 | 32.2 | 172.5 | 0 | 0 | 0 | 109.2 | L688 | I686-L688 PolarHBondContact O-N 3.13Å; I686-L688 VanDerWaalsContact O-N 3.16Å | ||
| 687 | S | 28.7 | Very low | 35.3 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -82.7 | 84.1 | 177.6 | 54.1 | 0 | 0 | 0 | 0 | 110.4 | S689 | S687-S689 PolarHBondContact O-N 3.1Š| ||
| 688 | L | 34.7 | Very low | 36 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | -79.5 | 116 | 172 | -163.3 | 69.8 | 0 | 0 | 0 | 109.5 | I686 | I686-L688 PolarHBondContact O-N 3.13Å; I686-L688 VanDerWaalsContact O-N 3.16Å | ||
| 689 | S | 30.2 | Very low | 36.9 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | trans | -64.4 | 139.5 | 177.4 | 40.3 | 0 | 0 | 0 | 0 | 111.4 | S687 P691 | S687-S689 PolarHBondContact O-N 3.1Å; S689-P691 VanDerWaalsContact O-CD 3.31Å; S689-P691 WeakPolarHBondContact O-CD 3.47Å | ||
| 690 | Q | 28.5 | Very low | 38.3 | Very low | 181 Ų | 181 | 128.6 Ų | 128.6 | 85% | 0.846 | 70% | 0.697 | S | S | * | * | trans | -64.5 | 121.3 | 172.6 | -69.3 | 178.6 | -42.7 | 0 | 0 | 110.1 | N692 | Q690-N692 PolarHBondContact O-N 2.92Š| ||
| 691 | P | 32.2 | Very low | 39.8 | Very low | 100 Ų | 100 | 121 Ų | 121 | 65% | 0.649 | 66% | 0.663 | S | S | * | * | trans | -78.3 | 113.1 | 171.4 | 31.1 | -31.6 | 0 | 0 | 0 | 109.4 | S689 S693 | S689-P691 VanDerWaalsContact O-CD 3.31Å; S689-P691 WeakPolarHBondContact O-CD 3.47Å; P691-S693 PolarHBondContact O-N 2.81Å | ||
| 692 | N | 32.1 | Very low | 41.4 | Very low | 153 Ų | 153 | 118.6 Ų | 118.6 | 82% | 0.818 | 66% | 0.662 | S | S | * | * | trans | -77.8 | 29 | 175.4 | -111.8 | -14.6 | 0 | 0 | 0 | 112.8 | Q690 L694 | Q690-N692 PolarHBondContact O-N 2.92Å; N692-L694 VanDerWaalsContact C-N 3.29Å; N692-L694 PolarHBondContact O-N 3.04Å | ||
| 693 | S | 36.5 | Very low | 43.2 | Very low | 61 Ų | 61 | 109.5 Ų | 109.5 | 43% | 0.427 | 63% | 0.634 | S | S | . | * | trans | -79.6 | 1.5 | -170.1 | 53.2 | 0 | 0 | 0 | 0 | 115.2 | P691 N695 D696 | P691-S693 PolarHBondContact O-N 2.81Å; S693-N695 PolarHBondContact O-N 3.11Å; S693-D696 PolarHBondContact O-N 3.45Å | ||
| 694 | L | 40.5 | Very low | 45.5 | Very low | 117 Ų | 117 | 99.5 Ų | 99.5 | 61% | 0.613 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -0.2 | -173.9 | -88.6 | 168.2 | 0 | 0 | 0 | 117.1 | N692 | N692-L694 VanDerWaalsContact C-N 3.29Å; N692-L694 PolarHBondContact O-N 3.04Å |
| 695 | N | 43.3 | Very low | 47.8 | Very low | 92 Ų | 92 | 97.7 Ų | 97.7 | 49% | 0.492 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -132.1 | -0.4 | -175.6 | -80.9 | -62.8 | 0 | 0 | 0 | 115.2 | K664 S693 P697 | K664-N695 VanDerWaalsContact CG-OD1 3.32Å; K664-N695 WeakPolarHBondContact CG-OD1 3.47Å; S693-N695 PolarHBondContact O-N 3.11Å; N695-P697 VanDerWaalsContact O-CD 3.32Å; N695-P697 WeakPolarHBondContact O-CD 3.35Å |
| 696 | D | 45.8 | Very low | 50.2 | Low | 84 Ų | 84 | 93.5 Ų | 93.5 | 45% | 0.449 | 53% | 0.532 | S | S | . | . | trans | -95.6 | 108.3 | -176.4 | -160.2 | -32.8 | 0 | 0 | 0 | 112.3 | S693 Q698 S699 | S693-D696 PolarHBondContact O-N 3.45Å; D696-Q698 PolarHBondContact O-N 3.36Å; D696-Q698 WeakPolarHBondContact OD1-CB 3.16Å; D696-Q698 PolarHBondContact OD1-N 3.11Å; D696-S699 PolarHBondContact O-N 3.28Å; D696-S699 PolarHBondContact O-OG 2.83Å | ||
| 697 | P | 51.4 | Low | 52.2 | Low | 96 Ų | 96 | 90.2 Ų | 90.2 | 62% | 0.623 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -67.8 | -13.4 | -179 | 30.1 | -36.1 | 0 | 0 | 0 | 113.7 | N695 S699 | N695-P697 VanDerWaalsContact O-CD 3.32Å; N695-P697 WeakPolarHBondContact O-CD 3.35Å; P697-S699 PolarHBondContact O-N 2.82Å |
| 698 | Q | 49.9 | Very low | 54.8 | Low | 179 Ų | 179 | 90 Ų | 90 | 84% | 0.836 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -72.9 | -11 | 176.6 | -58.3 | -170 | 2.9 | 0 | 0 | 113.1 | D696 | D696-Q698 PolarHBondContact O-N 3.36Å; D696-Q698 WeakPolarHBondContact OD1-CB 3.16Å; D696-Q698 PolarHBondContact OD1-N 3.11Å |
| 699 | S | 58 | Low | 57.4 | Low | 39 Ų | 39 | 82.3 Ų | 82.3 | 27% | 0.273 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -85.8 | -6.8 | 179.7 | 65.7 | 0 | 0 | 0 | 0 | 115.2 | H340 D696 P697 | H340-S699 PolarHBondContact NE2-O 3.15Å; H340-S699 VanDerWaalsContact NE2-O 3.09Å; D696-S699 PolarHBondContact O-N 3.28Å; D696-S699 PolarHBondContact O-OG 2.83Å; P697-S699 PolarHBondContact O-N 2.82Å |
| 700 | L | 63.5 | Low | 60.1 | Low | 40 Ų | 40 | 79.1 Ų | 79.1 | 21% | 0.209 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -100.8 | 144.6 | -178.1 | -77.3 | 165.4 | 0 | 0 | 0 | 111.6 | P317 | P317-L700 HydrophobicContact CB-CD2 4.46Å; P317-L700 HydrophobicContact CG-CD2 4.34Å |
| 701 | P | 66 | Low | 63 | Low | 26 Ų | 26 | 71 Ų | 71 | 17% | 0.169 | 40% | 0.396 | C | S | . | . | trans | -54.1 | 144.8 | 170.5 | -26.4 | 34.7 | 0 | 0 | 0 | 112.2 | T703 L704 | P701-T703 PolarHBondContact O-N 3.4Å; P701-L704 HydrophobicContact CB-CD1 4.49Å; P701-L704 HydrophobicContact CB-CG 4.47Å; P701-L704 HydrophobicContact CG-CD1 4.15Å; P701-L704 WeakPolarHBondContact O-CA 3.24Å; P701-L704 PolarHBondContact O-N 3Å | ||
| 702 | P | 68 | Low | 65.9 | Low | 110 Ų | 110 | 66.2 Ų | 66.2 | 71% | 0.714 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -10.1 | -179.8 | 26.6 | -35.3 | 0 | 0 | 0 | 114.1 | ||
| 703 | T | 71.9 | Confident | 68.7 | Low | 55 Ų | 55 | 60.6 Ų | 60.6 | 34% | 0.337 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.3 | 169.9 | 43.7 | 0 | 0 | 0 | 0 | 113.7 | P701 | P701-T703 PolarHBondContact O-N 3.4Š|
| 704 | L | 78 | Confident | 71.4 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -121.4 | 15.5 | -176.3 | -64.4 | -178.7 | 0 | 0 | 0 | 113.5 | P317 L345 P701 | P317-L704 HydrophobicContact CB-CD1 4.37Å; P317-L704 HydrophobicContact CG-CB 4.47Å; P317-L704 HydrophobicContact CG-CD1 4.16Å; L345-L704 HydrophobicContact CB-CD1 4.25Å; L345-L704 WeakPolarHBondContact O-CD2 3.35Å; P701-L704 HydrophobicContact CB-CD1 4.49Å; P701-L704 HydrophobicContact CB-CG 4.47Å; P701-L704 HydrophobicContact CG-CD1 4.15Å; P701-L704 WeakPolarHBondContact O-CA 3.24Å; P701-L704 PolarHBondContact O-N 3Å |
| 705 | T | 80.2 | Confident | 73.9 | Confident | 42 Ų | 42 | 53 Ų | 53 | 26% | 0.258 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -63.5 | 153.5 | 171 | 71.7 | 0 | 0 | 0 | 0 | 110.3 | D707 K708 | T705-D707 WeakPolarHBondContact CB-OD2 3.41Å; T705-D707 PolarHBondContact O-N 2.83Å; T705-D707 VanDerWaalsContact O-N 3.14Å; T705-D707 PolarHBondContact OG1-OD2 3.28Å; T705-K708 WeakPolarHBondContact O-CB 3.37Å; T705-K708 PolarHBondContact O-N 2.88Å |
| 706 | I | 80.2 | Confident | 76.4 | Confident | 32 Ų | 32 | 48.7 Ų | 48.7 | 16% | 0.164 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -64.9 | -24.7 | -170.4 | -158.4 | 57.5 | 0 | 0 | 0 | 112.7 | I654 W659 K708 Y709 | I654-I706 HydrophobicContact CG2-CD1 3.71Å; I654-I706 HydrophobicContact CG2-CG1 3.89Å; W659-I706 HydrophobicContact CH2-CD1 3.52Å; W659-I706 HydrophobicContact CH2-CG1 4.01Å; W659-I706 HydrophobicContact CZ2-CD1 4.04Å; W659-I706 HydrophobicContact CZ3-CD1 4.08Å; W659-I706 HydrophobicContact CZ3-CG1 4.03Å; I706-K708 PolarHBondContact O-N 3.28Å; I706-Y709 HydrophobicContact CD1-CD2 4.25Å; I706-Y709 PolarHBondContact O-N 3.05Å |
| 707 | D | 76.9 | Confident | 78.8 | Confident | 93 Ų | 93 | 44.7 Ų | 44.7 | 50% | 0.497 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -68.3 | -21.6 | 178.1 | -13.1 | -78 | 0 | 0 | 0 | 111.7 | T705 Y709 E710 | T705-D707 WeakPolarHBondContact CB-OD2 3.41Å; T705-D707 PolarHBondContact O-N 2.83Å; T705-D707 VanDerWaalsContact O-N 3.14Å; T705-D707 PolarHBondContact OG1-OD2 3.28Å; D707-Y709 PolarHBondContact O-N 2.97Å; D707-E710 VanDerWaalsContact O-CB 3.31Å; D707-E710 WeakPolarHBondContact O-CB 3.31Å; D707-E710 PolarHBondContact O-N 3.14Å |
| 708 | K | 84 | Confident | 80.8 | Confident | 119 Ų | 119 | 40.1 Ų | 40.1 | 52% | 0.517 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -70.5 | -17.7 | 173.1 | -59.4 | -53.6 | -178 | -172.3 | 0 | 113.5 | P349 T705 I706 E710 | P349-K708 HydrophobicContact CB-CB 4.17Å; P349-K708 WeakPolarHBondContact CB-O 2.96Å; P349-K708 HydrophobicContact CG-CB 3.9Å; T705-K708 WeakPolarHBondContact O-CB 3.37Å; T705-K708 PolarHBondContact O-N 2.88Å; I706-K708 PolarHBondContact O-N 3.28Å; K708-E710 VanDerWaalsContact C-N 3.32Å |
| 709 | Y | 88.4 | Confident | 83 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -90.5 | 5.7 | 177.6 | -59.1 | -94.7 | 0 | 0 | 0 | 112.9 | C315 L348 P349 F352 I706 D707 S711 G712 R713 | C315-Y709 HydrophobicContact CB-CD1 4.01Å; C315-Y709 HydrophobicContact CB-CE1 4.15Å; C315-Y709 HydrophobicContact CB-CG 4.31Å; C315-Y709 WeakPolarHBondContact SG-CD1 3.49Å; L348-Y709 HydrophobicContact CB-CE1 4.17Å; L348-Y709 WeakPolarHBondContact CB-OH 3.49Å; P349-Y709 HydrophobicContact CB-CD1 4.03Å; P349-Y709 HydrophobicContact CB-CE1 4.08Å; P349-Y709 HydrophobicContact CB-CG 4.35Å; P349-Y709 HydrophobicContact CG-CD1 4.29Å; P349-Y709 HydrophobicContact CG-CD2 4.46Å; P349-Y709 HydrophobicContact CG-CE1 3.91Å; P349-Y709 HydrophobicContact CG-CE2 4.08Å; F352-Y709 HydrophobicContact CB-CD1 4.1Å; F352-Y709 HydrophobicContact CB-CE1 4.47Å; F352-Y709 AromaticContact CD1-CD1 3.89Å; F352-Y709 HydrophobicContact CD1-CD1 3.89Å; F352-Y709 HydrophobicContact CG-CD1 4.22Å; I706-Y709 HydrophobicContact CD1-CD2 4.25Å; I706-Y709 PolarHBondContact O-N 3.05Å; D707-Y709 PolarHBondContact O-N 2.97Å; Y709-S711 VanDerWaalsContact C-N 3.32Å; Y709-S711 PolarHBondContact O-N 3.02Å; Y709-G712 PolarHBondContact O-N 3.35Å; Y709-G712 VanDerWaalsContact O-N 3.15Å; Y709-R713 PolarHBondContact O-N 2.93Å; Y709-R713 VanDerWaalsContact O-N 3.1Å |
| 710 | E | 87.2 | Confident | 84.9 | Confident | 36 Ų | 36 | 29.8 Ų | 29.8 | 17% | 0.168 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -53.6 | -44.1 | -178.3 | -170.8 | -174.6 | 125.4 | 0 | 0 | 112.6 | D707 K708 G712 R713 A714 D758 E759 T760 | D707-E710 VanDerWaalsContact O-CB 3.31Å; D707-E710 WeakPolarHBondContact O-CB 3.31Å; D707-E710 PolarHBondContact O-N 3.14Å; K708-E710 VanDerWaalsContact C-N 3.32Å; E710-G712 VanDerWaalsContact C-N 3.33Å; E710-G712 PolarHBondContact O-N 3.44Å; E710-R713 CarbonylContact O-C 3.59Å; E710-R713 WeakPolarHBondContact O-CA 3.37Å; E710-R713 WeakPolarHBondContact O-CB 3.41Å; E710-R713 PolarHBondContact O-N 3.47Å; E710-R713 VanDerWaalsContact O-N 3.12Å; E710-A714 WeakPolarHBondContact O-CB 3.41Å; E710-A714 PolarHBondContact O-N 3.09Å; E710-D758 WeakPolarHBondContact OE1-CB 3.48Å; E710-E759 HydrophobicContact CG-CB 4.41Å; E710-E759 WeakPolarHBondContact OE1-CB 3.26Å; E710-E759 PolarHBondContact OE1-N 3.47Å; E710-T760 HydrophobicContact CG-CG2 3.96Å |
| 711 | S | 90 | Very high | 86.4 | Confident | 9 Ų | 9 | 27.9 Ų | 27.9 | 6% | 0.063 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.7 | -40.1 | 179.1 | -42.9 | 0 | 0 | 0 | 0 | 113.1 | Y709 A714 E715 E759 S805 | Y709-S711 VanDerWaalsContact C-N 3.32Å; Y709-S711 PolarHBondContact O-N 3.02Å; S711-A714 WeakPolarHBondContact O-CB 3.41Å; S711-A714 PolarHBondContact O-N 3.36Å; S711-E715 PolarHBondContact O-N 2.92Å; S711-E759 WeakPolarHBondContact CA-OE2 3.19Å; S711-E759 WeakPolarHBondContact CB-OE2 3.47Å; S711-E759 PolarHBondContact OG-OE2 3.46Å; S711-S805 VanDerWaalsContact OG-CB 3.23Å; S711-S805 WeakPolarHBondContact OG-CB 3.29Å |
| 712 | G | 91.6 | Very high | 87.8 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -72.1 | -35.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M356 Y709 E710 A714 A716 | M356-G712 WeakPolarHBondContact CG-O 3.5Å; Y709-G712 PolarHBondContact O-N 3.35Å; Y709-G712 VanDerWaalsContact O-N 3.15Å; E710-G712 VanDerWaalsContact C-N 3.33Å; E710-G712 PolarHBondContact O-N 3.44Å; G712-A714 VanDerWaalsContact C-N 3.32Å; G712-A716 WeakPolarHBondContact O-CB 3.47Å; G712-A716 PolarHBondContact O-N 3.31Å |
| 713 | R | 92.3 | Very high | 89.1 | Confident | 34 Ų | 34 | 23 Ų | 23 | 13% | 0.128 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.5 | -40.4 | 170.6 | 178.2 | -175.6 | 179.5 | -142 | -0.3 | 111.1 | A652 I654 Y709 E710 A716 I717 Q747 C748 T760 | A652-R713 PolarHBondContact O-NE 3.34Å; I654-R713 VanDerWaalsContact O-CD 3.32Å; I654-R713 WeakPolarHBondContact O-CD 3.5Å; I654-R713 PolarHBondContact O-NE 3.21Å; Y709-R713 PolarHBondContact O-N 2.93Å; Y709-R713 VanDerWaalsContact O-N 3.1Å; E710-R713 CarbonylContact O-C 3.59Å; E710-R713 WeakPolarHBondContact O-CA 3.37Å; E710-R713 WeakPolarHBondContact O-CB 3.41Å; E710-R713 PolarHBondContact O-N 3.47Å; E710-R713 VanDerWaalsContact O-N 3.12Å; R713-A716 PolarHBondContact O-N 3.06Å; R713-I717 WeakPolarHBondContact O-CG2 3.38Å; R713-I717 PolarHBondContact O-N 2.65Å; R713-Q747 PolarHBondContact NH2-O 2.85Å; R713-C748 VanDerWaalsContact CZ-SG 3.55Å; R713-C748 PolarHBondContact NH2-SG 3.21Å; R713-T760 HydrophobicContact CB-CG2 4.26Å; R713-T760 HydrophobicContact CG-CG2 3.87Å |
| 714 | A | 92.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.2 | -47.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E710 S711 G712 A716 I717 G718 E759 T760 S763 M806 | E710-A714 WeakPolarHBondContact O-CB 3.41Å; E710-A714 PolarHBondContact O-N 3.09Å; S711-A714 WeakPolarHBondContact O-CB 3.41Å; S711-A714 PolarHBondContact O-N 3.36Å; G712-A714 VanDerWaalsContact C-N 3.32Å; A714-A716 VanDerWaalsContact C-N 3.32Å; A714-A716 PolarHBondContact O-N 2.74Å; A714-I717 WeakPolarHBondContact O-CG2 3.43Å; A714-I717 PolarHBondContact O-N 3.43Å; A714-G718 PolarHBondContact O-N 3.14Å; A714-E759 HydrophobicContact CB-CB 3.98Å; A714-E759 WeakPolarHBondContact CB-O 3.44Å; A714-T760 HydrophobicContact CB-CG2 3.96Å; A714-S763 WeakPolarHBondContact O-CB 3.49Å; A714-S763 PolarHBondContact O-OG 3.11Å; A714-M806 HydrophobicContact CB-SD 3.66Å |
| 715 | E | 94 | Very high | 90.9 | Very high | 20 Ų | 20 | 21 Ų | 21 | 9% | 0.093 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.6 | -42.9 | 172.9 | -172.3 | 70.8 | -122.9 | 0 | 0 | 111.5 | L353 M356 K357 S360 S711 G718 T719 M806 | L353-E715 HydrophobicContact CD1-CB 4.32Å; M356-E715 HydrophobicContact CB-CB 4Å; M356-E715 HydrophobicContact CB-CG 3.92Å; K357-E715 WeakPolarHBondContact CE-OE2 3.48Å; K357-E715 HydrophobicContact CG-CG 3.91Å; K357-E715 VanDerWaalsContact CG-OE2 3.27Å; K357-E715 WeakPolarHBondContact CG-OE2 3.49Å; S360-E715 WeakPolarHBondContact CB-OE1 3.24Å; S360-E715 PolarHBondContact OG-OE1 3.42Å; S711-E715 PolarHBondContact O-N 2.92Å; E715-G718 PolarHBondContact O-N 3.37Å; E715-T719 WeakPolarHBondContact O-CB 3.34Å; E715-T719 PolarHBondContact O-N 2.87Å; E715-T719 PolarHBondContact O-OG1 3.07Å; E715-M806 HydrophobicContact CB-CE 4.32Å; E715-M806 WeakPolarHBondContact OE2-CE 3.46Å |
| 716 | A | 95.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.3 | -45.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | M356 L648 A651 G712 R713 A714 T719 L720 | M356-A716 HydrophobicContact SD-CB 3.89Å; L648-A716 HydrophobicContact CD2-CB 4.24Å; A651-A716 HydrophobicContact CB-CB 3.49Å; A651-A716 VanDerWaalsContact CB-CB 3.49Å; G712-A716 WeakPolarHBondContact O-CB 3.47Å; G712-A716 PolarHBondContact O-N 3.31Å; R713-A716 PolarHBondContact O-N 3.06Å; A714-A716 VanDerWaalsContact C-N 3.32Å; A714-A716 PolarHBondContact O-N 2.74Å; A716-T719 WeakPolarHBondContact O-CB 3.44Å; A716-T719 PolarHBondContact O-N 2.86Å; A716-L720 PolarHBondContact O-N 3.35Å |
| 717 | I | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -72.2 | -32 | 177.3 | -166.4 | 56.4 | 0 | 0 | 0 | 112 | A652 R713 A714 L720 C721 F741 A744 L745 C748 I764 | A652-I717 HydrophobicContact CB-CB 4.11Å; A652-I717 HydrophobicContact CB-CD1 4.03Å; R713-I717 WeakPolarHBondContact O-CG2 3.38Å; R713-I717 PolarHBondContact O-N 2.65Å; A714-I717 WeakPolarHBondContact O-CG2 3.43Å; A714-I717 PolarHBondContact O-N 3.43Å; I717-L720 HydrophobicContact CD1-CB 4.25Å; I717-L720 HydrophobicContact CD1-CD1 3.9Å; I717-L720 PolarHBondContact O-N 2.93Å; I717-C721 PolarHBondContact O-N 2.62Å; I717-C721 PolarHBondContact O-SG 2.89Å; I717-F741 HydrophobicContact CD1-CE2 4.48Å; I717-A744 HydrophobicContact CD1-CB 3.92Å; I717-L745 HydrophobicContact CD1-CD2 3.98Å; I717-L745 HydrophobicContact CD1-CG 4.35Å; I717-L745 HydrophobicContact CG1-CD2 4.04Å; I717-C748 HydrophobicContact CG1-CB 4.42Å; I717-I764 HydrophobicContact CG1-CD1 3.88Å; I717-I764 HydrophobicContact CG1-CG1 3.8Å; I717-I764 HydrophobicContact CG2-CD1 4.25Å; I717-I764 HydrophobicContact CG2-CG1 3.92Å |
| 718 | G | 94.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.01 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A714 E715 L720 C721 K722 S763 | A714-G718 PolarHBondContact O-N 3.14Å; E715-G718 PolarHBondContact O-N 3.37Å; G718-L720 VanDerWaalsContact C-N 3.32Å; G718-L720 PolarHBondContact O-N 3.2Å; G718-C721 WeakPolarHBondContact O-CA 3.48Å; G718-C721 WeakPolarHBondContact O-CB 3.47Å; G718-C721 PolarHBondContact O-N 3.32Å; G718-K722 WeakPolarHBondContact O-CG 3.49Å; G718-K722 PolarHBondContact O-N 3.47Å; G718-S763 VanDerWaalsContact CA-OG 3.26Å; G718-S763 WeakPolarHBondContact CA-OG 3.48Å |
| 719 | T | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.1 | -42.1 | 174.9 | -55.6 | 0 | 0 | 0 | 0 | 112 | S360 V363 L648 E715 A716 K722 I723 | S360-T719 VanDerWaalsContact CB-OG1 3.27Å; S360-T719 WeakPolarHBondContact CB-OG1 3.02Å; S360-T719 PolarHBondContact OG-OG1 3.45Å; V363-T719 HydrophobicContact CB-CG2 3.81Å; V363-T719 HydrophobicContact CG1-CG2 3.8Å; V363-T719 HydrophobicContact CG2-CG2 3.77Å; L648-T719 HydrophobicContact CD1-CG2 3.85Å; L648-T719 HydrophobicContact CD2-CG2 3.88Å; E715-T719 WeakPolarHBondContact O-CB 3.34Å; E715-T719 PolarHBondContact O-N 2.87Å; E715-T719 PolarHBondContact O-OG1 3.07Å; A716-T719 WeakPolarHBondContact O-CB 3.44Å; A716-T719 PolarHBondContact O-N 2.86Å; T719-K722 PolarHBondContact O-N 3.44Å; T719-I723 HydrophobicContact CG2-CD1 4.31Å; T719-I723 WeakPolarHBondContact O-CG1 3.2Å; T719-I723 PolarHBondContact O-N 3Å; T719-I723 VanDerWaalsContact O-N 3.07Å |
| 720 | L | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 172.7 | -72.5 | 169 | 0 | 0 | 0 | 111.7 | L641 L648 F649 A652 A716 I717 G718 K722 I723 F724 F741 | L641-L720 HydrophobicContact CD2-CD2 4.14Å; L648-L720 HydrophobicContact CB-CD1 4.28Å; L648-L720 HydrophobicContact CB-CD2 3.77Å; L648-L720 HydrophobicContact CB-CG 3.91Å; L648-L720 HydrophobicContact CD1-CD2 4.13Å; L648-L720 HydrophobicContact CD1-CG 4.5Å; F649-L720 HydrophobicContact CD1-CD1 3.56Å; F649-L720 HydrophobicContact CD1-CD2 4.08Å; F649-L720 HydrophobicContact CE1-CD1 3.74Å; F649-L720 HydrophobicContact CE1-CD2 3.71Å; F649-L720 HydrophobicContact CE1-CG 4.36Å; F649-L720 HydrophobicContact CG-CD1 4.46Å; F649-L720 HydrophobicContact CZ-CD2 3.99Å; A652-L720 HydrophobicContact CB-CD1 4.03Å; A716-L720 PolarHBondContact O-N 3.35Å; I717-L720 HydrophobicContact CD1-CB 4.25Å; I717-L720 HydrophobicContact CD1-CD1 3.9Å; I717-L720 PolarHBondContact O-N 2.93Å; G718-L720 VanDerWaalsContact C-N 3.32Å; G718-L720 PolarHBondContact O-N 3.2Å; L720-K722 VanDerWaalsContact C-N 3.33Å; L720-K722 PolarHBondContact O-N 2.71Å; L720-I723 PolarHBondContact O-N 2.93Å; L720-F724 WeakPolarHBondContact O-CD2 3.34Å; L720-F724 PolarHBondContact O-N 2.76Å; L720-F741 HydrophobicContact CB-CD2 3.94Å; L720-F741 HydrophobicContact CB-CE2 3.81Å |
| 721 | C | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57 | -44.9 | 175.5 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | I717 G718 I723 F724 C725 H767 | I717-C721 PolarHBondContact O-N 2.62Å; I717-C721 PolarHBondContact O-SG 2.89Å; G718-C721 WeakPolarHBondContact O-CA 3.48Å; G718-C721 WeakPolarHBondContact O-CB 3.47Å; G718-C721 PolarHBondContact O-N 3.32Å; C721-I723 PolarHBondContact O-N 2.84Å; C721-F724 PolarHBondContact O-N 3.18Å; C721-C725 VanDerWaalsContact O-CB 3.27Å; C721-C725 WeakPolarHBondContact O-CB 3.41Å; C721-C725 PolarHBondContact O-N 3.04Å; C721-C725 PolarHBondContact O-SG 3.1Å; C721-H767 CarbonylContact C-O 3.57Å; C721-H767 HydrophobicContact CB-CB 3.85Å; C721-H767 VanDerWaalsContact CB-O 3.26Å; C721-H767 WeakPolarHBondContact CB-O 3.34Å |
| 722 | K | 94.9 | Very high | 92.9 | Very high | 34 Ų | 34 | 23.5 Ų | 23.5 | 15% | 0.148 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.3 | -47.9 | 174.3 | -60.9 | 178.4 | -168.9 | 170.6 | 0 | 112.2 | S360 D364 L367 G718 T719 L720 C725 A726 H767 | S360-K722 PolarHBondContact OG-NZ 3.49Å; D364-K722 WeakPolarHBondContact OD1-CD 3.38Å; D364-K722 WeakPolarHBondContact OD1-CE 3.45Å; D364-K722 IonicContact OD1-NZ 2.78Å; D364-K722 PolarHBondContact OD1-NZ 3.4Å; D364-K722 IonicContact OD2-NZ 3.74Å; D364-K722 PolarHBondContact OD2-NZ 3.36Å; L367-K722 HydrophobicContact CD1-CB 4.12Å; G718-K722 WeakPolarHBondContact O-CG 3.49Å; G718-K722 PolarHBondContact O-N 3.47Å; T719-K722 PolarHBondContact O-N 3.44Å; L720-K722 VanDerWaalsContact C-N 3.33Å; L720-K722 PolarHBondContact O-N 2.71Å; K722-C725 PolarHBondContact O-N 3.12Å; K722-A726 WeakPolarHBondContact O-CB 3.16Å; K722-A726 PolarHBondContact O-N 3.44Å; K722-A726 VanDerWaalsContact O-N 3.11Å; K722-H767 HydrophobicContact CG-CB 4.21Å |
| 723 | I | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.5 | -48 | -179.3 | -65.3 | 164.7 | 0 | 0 | 0 | 111.2 | V363 C637 I640 L641 L648 T719 L720 C721 A726 | V363-I723 HydrophobicContact CG1-CD1 3.86Å; V363-I723 HydrophobicContact CG1-CG1 3.45Å; V363-I723 VanDerWaalsContact CG1-CG1 3.45Å; V363-I723 HydrophobicContact CG2-CD1 4.1Å; C637-I723 HydrophobicContact CB-CG2 4.22Å; C637-I723 PolarHBondContact SG-O 3.29Å; I640-I723 HydrophobicContact CG2-CD1 3.92Å; I640-I723 HydrophobicContact CG2-CG1 4.09Å; L641-I723 HydrophobicContact CD1-CG2 4.39Å; L641-I723 HydrophobicContact CD2-CD1 4.45Å; L641-I723 HydrophobicContact CD2-CG2 4.24Å; L641-I723 HydrophobicContact CG-CG2 4.02Å; L648-I723 HydrophobicContact CD1-CD1 3.67Å; T719-I723 HydrophobicContact CG2-CD1 4.31Å; T719-I723 WeakPolarHBondContact O-CG1 3.2Å; T719-I723 PolarHBondContact O-N 3Å; T719-I723 VanDerWaalsContact O-N 3.07Å; L720-I723 PolarHBondContact O-N 2.93Å; C721-I723 PolarHBondContact O-N 2.84Å; I723-A726 PolarHBondContact O-N 3.4Å |
| 724 | F | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.9 | -32.3 | -179.4 | -81.6 | -100 | 0 | 0 | 0 | 112.1 | L641 F649 L720 C721 A726 K727 I733 L738 F741 L771 L776 | L641-F724 HydrophobicContact CD1-CE2 3.98Å; L641-F724 HydrophobicContact CD1-CZ 3.99Å; L641-F724 HydrophobicContact CD2-CE2 4.12Å; F649-F724 HydrophobicContact CZ-CE2 4.21Å; F649-F724 HydrophobicContact CZ-CZ 4.36Å; L720-F724 WeakPolarHBondContact O-CD2 3.34Å; L720-F724 PolarHBondContact O-N 2.76Å; C721-F724 PolarHBondContact O-N 3.18Å; F724-A726 PolarHBondContact O-N 3.16Å; F724-K727 WeakPolarHBondContact O-CB 3.39Å; F724-K727 PolarHBondContact O-N 3.18Å; F724-I733 HydrophobicContact CD1-CD1 3.8Å; F724-I733 HydrophobicContact CE1-CD1 4.06Å; F724-I733 HydrophobicContact CE1-CG2 3.86Å; F724-I733 HydrophobicContact CZ-CG2 4.4Å; F724-L738 HydrophobicContact CD1-CD1 4.18Å; F724-L738 HydrophobicContact CE1-CD1 3.78Å; F724-F741 HydrophobicContact CB-CD1 4.29Å; F724-F741 HydrophobicContact CB-CE1 3.73Å; F724-F741 HydrophobicContact CB-CZ 3.84Å; F724-F741 AromaticContact CD1-CD1 3.6Å; F724-F741 HydrophobicContact CD1-CD1 3.6Å; F724-F741 AromaticContact CD1-CE1 3.89Å; F724-F741 HydrophobicContact CD1-CE1 3.89Å; F724-F741 HydrophobicContact CD1-CG 4.14Å; F724-F741 HydrophobicContact CD2-CB 4.37Å; F724-F741 AromaticContact CD2-CD1 3.93Å; F724-F741 HydrophobicContact CD2-CD1 3.93Å; F724-F741 AromaticContact CD2-CD2 3.81Å; F724-F741 HydrophobicContact CD2-CD2 3.81Å; F724-F741 HydrophobicContact CD2-CE1 4.08Å; F724-F741 AromaticContact CD2-CE2 3.97Å; F724-F741 HydrophobicContact CD2-CE2 3.97Å; F724-F741 AromaticContact CD2-CG 3.78Å; F724-F741 HydrophobicContact CD2-CG 3.78Å; F724-F741 HydrophobicContact CD2-CZ 4.09Å; F724-F741 HydrophobicContact CE1-CB 3.98Å; F724-F741 AromaticContact CE1-CD1 3.79Å; F724-F741 HydrophobicContact CE1-CD1 3.79Å; F724-F741 HydrophobicContact CE1-CG 4.02Å; F724-F741 HydrophobicContact CE2-CB 3.74Å; F724-F741 HydrophobicContact CE2-CD1 4.11Å; F724-F741 AromaticContact CE2-CD2 3.88Å; F724-F741 HydrophobicContact CE2-CD2 3.88Å; F724-F741 HydrophobicContact CE2-CE2 4.5Å; F724-F741 AromaticContact CE2-CG 3.65Å; F724-F741 HydrophobicContact CE2-CG 3.65Å; F724-F741 AromaticContact CG-CD1 3.67Å; F724-F741 HydrophobicContact CG-CD1 3.67Å; F724-F741 HydrophobicContact CG-CD2 4.34Å; F724-F741 AromaticContact CG-CE1 3.63Å; F724-F741 HydrophobicContact CG-CE1 3.63Å; F724-F741 HydrophobicContact CG-CE2 4.31Å; F724-F741 HydrophobicContact CG-CG 4.02Å; F724-F741 AromaticContact CG-CZ 3.95Å; F724-F741 HydrophobicContact CG-CZ 3.95Å; F724-F741 HydrophobicContact CZ-CB 3.51Å; F724-F741 HydrophobicContact CZ-CD1 4.04Å; F724-F741 HydrophobicContact CZ-CD2 4.46Å; F724-F741 AromaticContact CZ-CG 3.77Å; F724-F741 HydrophobicContact CZ-CG 3.77Å; F724-L771 HydrophobicContact CB-CD1 4.32Å; F724-L776 HydrophobicContact CD1-CD1 4.38Å |
| 725 | C | 93 | Very high | 93.1 | Very high | 18 Ų | 18 | 30.9 Ų | 30.9 | 12% | 0.122 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.9 | -17.7 | 173.9 | -67.9 | 0 | 0 | 0 | 0 | 113.7 | C721 K722 L774 | C721-C725 VanDerWaalsContact O-CB 3.27Å; C721-C725 WeakPolarHBondContact O-CB 3.41Å; C721-C725 PolarHBondContact O-N 3.04Å; C721-C725 PolarHBondContact O-SG 3.1Å; K722-C725 PolarHBondContact O-N 3.12Å; C725-L774 HydrophobicContact CB-CD1 4.46Å |
| 726 | A | 91.1 | Very high | 93 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 0.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | L367 L630 R634 K722 I723 F724 K728 | L367-A726 HydrophobicContact CD1-CB 4.16Å; L367-A726 HydrophobicContact CD2-CB 3.43Å; L367-A726 VanDerWaalsContact CD2-CB 3.43Å; L367-A726 HydrophobicContact CG-CB 4.39Å; L630-A726 HydrophobicContact CD1-CB 4.06Å; L630-A726 HydrophobicContact CD2-CB 3.8Å; R634-A726 VanDerWaalsContact CZ-O 3.29Å; R634-A726 PolarHBondContact NE-O 2.99Å; R634-A726 PolarHBondContact NH2-O 3.01Å; K722-A726 WeakPolarHBondContact O-CB 3.16Å; K722-A726 PolarHBondContact O-N 3.44Å; K722-A726 VanDerWaalsContact O-N 3.11Å; I723-A726 PolarHBondContact O-N 3.4Å; F724-A726 PolarHBondContact O-N 3.16Å; A726-K728 PolarHBondContact O-N 3.39Å |
| 727 | K | 92.4 | Very high | 93 | Very high | 26 Ų | 26 | 35.1 Ų | 35.1 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -47.8 | 130.9 | 175.9 | 171.1 | 176.5 | 173.9 | -71.8 | 0 | 111.6 | C637 F724 E731 I733 L774 L776 | C637-K727 VanDerWaalsContact SG-CA 3.55Å; C637-K727 PolarHBondContact SG-N 3.02Å; F724-K727 WeakPolarHBondContact O-CB 3.39Å; F724-K727 PolarHBondContact O-N 3.18Å; K727-E731 WeakPolarHBondContact CE-O 3.2Å; K727-E731 HydrophobicContact CG-CB 4.32Å; K727-I733 HydrophobicContact CB-CD1 4.28Å; K727-I733 HydrophobicContact CD-CD1 4.01Å; K727-I733 HydrophobicContact CD-CG1 4.36Å; K727-I733 HydrophobicContact CG-CD1 4.39Å; K727-L774 PolarHBondContact NZ-O 2.8Å; K727-L776 HydrophobicContact CD-CD2 3.43Å; K727-L776 VanDerWaalsContact CD-CD2 3.43Å; K727-L776 HydrophobicContact CD-CG 4.42Å |
| 728 | K | 88.9 | Confident | 92.9 | Very high | 50 Ų | 50 | 35.7 Ų | 35.7 | 22% | 0.217 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -79 | 156.5 | 173.4 | -70.4 | 173.4 | 170.5 | 174.8 | 0 | 112 | V632 R634 A726 G730 E731 E1598 | V632-K728 WeakPolarHBondContact O-CE 3.4Å; V632-K728 PolarHBondContact O-NZ 3.13Å; R634-K728 VanDerWaalsContact NH2-CG 3.32Å; R634-K728 PolarHBondContact O-NZ 3.06Å; A726-K728 PolarHBondContact O-N 3.39Å; K728-G730 PolarHBondContact O-N 2.87Å; K728-E731 HydrophobicContact CB-CB 4.09Å; K728-E731 PolarHBondContact N-OE2 3.5Å; K728-E731 WeakPolarHBondContact O-CB 3.36Å; K728-E731 PolarHBondContact O-N 3.49Å; K728-E731 VanDerWaalsContact O-N 3.16Å; K728-E1598 WeakPolarHBondContact CA-OE1 3.33Å; K728-E1598 HydrophobicContact CG-CG 4.17Å |
| 729 | T | 88.6 | Confident | 92.8 | Very high | 49 Ų | 49 | 38.3 Ų | 38.3 | 30% | 0.301 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 137 | 165.4 | -68.1 | 0 | 0 | 0 | 0 | 109.2 | E731 Y1597 E1598 H1635 | T729-E731 VanDerWaalsContact C-N 3.26Å; T729-E731 PolarHBondContact O-N 2.94Å; T729-Y1597 WeakPolarHBondContact OG1-CB 3.12Å; T729-Y1597 PolarHBondContact OG1-N 2.83Å; T729-E1598 PolarHBondContact N-OE2 3.44Å; T729-H1635 PolarHBondContact OG1-NE2 3.11Å; T729-H1635 VanDerWaalsContact OG1-NE2 3.11Å |
| 730 | G | 85.4 | Confident | 92.6 | Very high | 77 Ų | 77 | 43.9 Ų | 43.9 | 79% | 0.794 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 4.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | K728 | K728-G730 PolarHBondContact O-N 2.87Š|
| 731 | E | 90.9 | Very high | 92.5 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | trans | -88.2 | 113.8 | 177.4 | -173 | -177.3 | 175.2 | 0 | 0 | 112.8 | K636 C637 K727 K728 T729 | K636-E731 VanDerWaalsContact C-OE1 3.31Å; K636-E731 WeakPolarHBondContact CA-OE1 3.3Å; K636-E731 WeakPolarHBondContact CB-OE1 3.45Å; K636-E731 HydrophobicContact CD-CG 4.45Å; K636-E731 HydrophobicContact CG-CG 4.46Å; C637-E731 PolarHBondContact N-OE1 2.91Å; K727-E731 WeakPolarHBondContact CE-O 3.2Å; K727-E731 HydrophobicContact CG-CB 4.32Å; K728-E731 HydrophobicContact CB-CB 4.09Å; K728-E731 PolarHBondContact N-OE2 3.5Å; K728-E731 WeakPolarHBondContact O-CB 3.36Å; K728-E731 PolarHBondContact O-N 3.49Å; K728-E731 VanDerWaalsContact O-N 3.16Å; T729-E731 VanDerWaalsContact C-N 3.26Å; T729-E731 PolarHBondContact O-N 2.94Å | ||
| 732 | E | 90.7 | Very high | 92.4 | Very high | 172 Ų | 172 | 44.6 Ų | 44.6 | 80% | 0.804 | 25% | 0.253 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 127 | 170.6 | -63.9 | -178.6 | 170.6 | 0 | 0 | 111.8 | N638 | N638-E732 PolarHBondContact ND2-O 2.96Š|
| 733 | I | 93.2 | Very high | 92.1 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 8% | 0.082 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -97.6 | 134.1 | 168.5 | -62.3 | -175.7 | 0 | 0 | 0 | 109.1 | C637 F724 K727 P735 L776 | C637-I733 HydrophobicContact CB-CD1 4.16Å; C637-I733 HydrophobicContact CB-CG1 4.35Å; F724-I733 HydrophobicContact CD1-CD1 3.8Å; F724-I733 HydrophobicContact CE1-CD1 4.06Å; F724-I733 HydrophobicContact CE1-CG2 3.86Å; F724-I733 HydrophobicContact CZ-CG2 4.4Å; K727-I733 HydrophobicContact CB-CD1 4.28Å; K727-I733 HydrophobicContact CD-CD1 4.01Å; K727-I733 HydrophobicContact CD-CG1 4.36Å; K727-I733 HydrophobicContact CG-CD1 4.39Å; I733-P735 WeakPolarHBondContact O-CD 3.47Å; I733-L776 HydrophobicContact CD1-CD2 3.89Å |
| 734 | L | 93.8 | Very high | 92 | Very high | 78 Ų | 78 | 46.9 Ų | 46.9 | 41% | 0.408 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 127 | -179.5 | -70.1 | 173 | 0 | 0 | 0 | 111.2 | N638 V736 Y737 L738 | N638-L734 PolarHBondContact OD1-N 3.44Å; L734-V736 PolarHBondContact O-N 3.39Å; L734-Y737 HydrophobicContact CB-CD2 3.96Å; L734-Y737 HydrophobicContact CB-CE2 4.36Å; L734-Y737 HydrophobicContact CD1-CD2 4.31Å; L734-Y737 HydrophobicContact CD1-CE2 3.88Å; L734-Y737 PolarHBondContact O-N 3.02Å; L734-L738 PolarHBondContact O-N 2.66Å |
| 735 | P | 93.1 | Very high | 91.8 | Very high | 96 Ų | 96 | 46.9 Ų | 46.9 | 62% | 0.623 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -55.5 | -27.3 | -176 | -30.7 | 36.1 | 0 | 0 | 0 | 114.9 | I733 Y737 L738 A739 | I733-P735 WeakPolarHBondContact O-CD 3.47Å; P735-Y737 VanDerWaalsContact C-N 3.34Å; P735-Y737 PolarHBondContact O-N 2.96Å; P735-L738 PolarHBondContact O-N 2.87Å; P735-A739 WeakPolarHBondContact O-CB 3.2Å; P735-A739 PolarHBondContact O-N 2.98Å |
| 736 | V | 93.2 | Very high | 91.6 | Very high | 92 Ų | 92 | 47.7 Ų | 47.7 | 56% | 0.558 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -64.7 | -35.6 | 175.5 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | L734 R740 | L734-V736 PolarHBondContact O-N 3.39Å; V736-R740 WeakPolarHBondContact O-CD 3.44Å; V736-R740 VanDerWaalsContact O-CG 3.24Å; V736-R740 WeakPolarHBondContact O-CG 3.27Å; V736-R740 PolarHBondContact O-N 3.2Å |
| 737 | Y | 95.6 | Very high | 91.3 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -78.2 | -38.5 | 174.5 | -62.1 | -38 | 0 | 0 | 0 | 111.5 | L641 H642 H645 F649 L734 P735 R740 F741 | L641-Y737 HydrophobicContact CB-CD2 3.96Å; L641-Y737 HydrophobicContact CB-CE2 3.96Å; L641-Y737 HydrophobicContact CB-CG 4.39Å; L641-Y737 HydrophobicContact CD1-CD2 3.81Å; L641-Y737 HydrophobicContact CD1-CG 4Å; L641-Y737 HydrophobicContact CG-CD2 4.5Å; H642-Y737 AromaticContact CE1-CE2 3.98Å; H642-Y737 PolarHBondContact CE1-OH 2.88Å; H642-Y737 VanDerWaalsContact CE1-OH 3.23Å; H642-Y737 AromaticContact ND1-CZ 3.96Å; H642-Y737 PolarHBondContact ND1-OH 2.69Å; H645-Y737 HydrophobicContact CB-CD1 4.42Å; H645-Y737 HydrophobicContact CB-CE1 4.09Å; H645-Y737 AromaticContact CD2-CE1 3.19Å; H645-Y737 WeakPolarHBondContact CD2-CE1 3.38Å; H645-Y737 AromaticContact CD2-CZ 3.28Å; H645-Y737 PolarHBondContact CD2-OH 2.97Å; H645-Y737 AromaticContact CG-CE1 3.63Å; H645-Y737 AromaticContact NE2-CE1 3.59Å; H645-Y737 AromaticContact NE2-CZ 3.67Å; H645-Y737 PolarHBondContact NE2-OH 3.4Å; F649-Y737 AromaticContact CE2-CD1 3.92Å; F649-Y737 HydrophobicContact CE2-CD1 3.92Å; L734-Y737 HydrophobicContact CB-CD2 3.96Å; L734-Y737 HydrophobicContact CB-CE2 4.36Å; L734-Y737 HydrophobicContact CD1-CD2 4.31Å; L734-Y737 HydrophobicContact CD1-CE2 3.88Å; L734-Y737 PolarHBondContact O-N 3.02Å; P735-Y737 VanDerWaalsContact C-N 3.34Å; P735-Y737 PolarHBondContact O-N 2.96Å; Y737-R740 PolarHBondContact O-N 3.25Å; Y737-F741 WeakPolarHBondContact O-CB 3.27Å; Y737-F741 PolarHBondContact O-N 2.83Å |
| 738 | L | 93.2 | Very high | 91.2 | Very high | 12 Ų | 12 | 47.3 Ų | 47.3 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 177.5 | -160.6 | 66.1 | 0 | 0 | 0 | 111.6 | F724 L734 P735 R740 F741 Y742 L776 D777 | F724-L738 HydrophobicContact CD1-CD1 4.18Å; F724-L738 HydrophobicContact CE1-CD1 3.78Å; L734-L738 PolarHBondContact O-N 2.66Å; P735-L738 PolarHBondContact O-N 2.87Å; L738-R740 PolarHBondContact O-N 3.21Å; L738-F741 PolarHBondContact O-N 2.97Å; L738-Y742 HydrophobicContact CD1-CE1 3.76Å; L738-Y742 WeakPolarHBondContact CD1-OH 3.11Å; L738-Y742 HydrophobicContact CD2-CE2 4.32Å; L738-Y742 HydrophobicContact CG-CE1 3.99Å; L738-Y742 HydrophobicContact CG-CE2 3.93Å; L738-Y742 WeakPolarHBondContact O-CD1 3.49Å; L738-Y742 PolarHBondContact O-N 3.04Å; L738-L776 HydrophobicContact CD1-CB 4.3Å; L738-L776 HydrophobicContact CD1-CD2 4.1Å; L738-D777 HydrophobicContact CD2-CB 3.87Å; L738-D777 WeakPolarHBondContact CD2-O 3.43Å |
| 739 | A | 91.4 | Very high | 91.1 | Very high | 56 Ų | 56 | 45.3 Ų | 45.3 | 46% | 0.463 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | P735 F741 M743 | P735-A739 WeakPolarHBondContact O-CB 3.2Å; P735-A739 PolarHBondContact O-N 2.98Å; A739-F741 VanDerWaalsContact C-N 3.34Å; A739-M743 VanDerWaalsContact O-CG 3.29Å; A739-M743 WeakPolarHBondContact O-CG 3.38Å; A739-M743 PolarHBondContact O-N 3.32Å; A739-M743 VanDerWaalsContact O-N 3.09Å |
| 740 | R | 92.2 | Very high | 90.6 | Very high | 118 Ų | 118 | 48.3 Ų | 48.3 | 45% | 0.445 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.7 | -36.8 | 175.2 | -75.4 | 175.6 | -176.5 | -147.1 | 1.7 | 112.5 | F649 V736 Y737 L738 A744 | F649-R740 HydrophobicContact CD1-CB 4.02Å; F649-R740 HydrophobicContact CD2-CB 4.09Å; F649-R740 HydrophobicContact CE1-CB 3.94Å; F649-R740 HydrophobicContact CE2-CB 3.99Å; F649-R740 HydrophobicContact CG-CB 4.12Å; F649-R740 HydrophobicContact CZ-CB 3.92Å; V736-R740 WeakPolarHBondContact O-CD 3.44Å; V736-R740 VanDerWaalsContact O-CG 3.24Å; V736-R740 WeakPolarHBondContact O-CG 3.27Å; V736-R740 PolarHBondContact O-N 3.2Å; Y737-R740 PolarHBondContact O-N 3.25Å; L738-R740 PolarHBondContact O-N 3.21Å; R740-A744 WeakPolarHBondContact O-CB 3.43Å; R740-A744 PolarHBondContact O-N 3.37Å |
| 741 | F | 95 | Very high | 90 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.7 | -42.3 | 177.7 | 178.4 | -119.8 | 0 | 0 | 0 | 112 | F649 I717 L720 F724 Y737 L738 A739 A744 L745 L771 | F649-F741 HydrophobicContact CE1-CB 3.84Å; F649-F741 HydrophobicContact CZ-CB 4.18Å; I717-F741 HydrophobicContact CD1-CE2 4.48Å; L720-F741 HydrophobicContact CB-CD2 3.94Å; L720-F741 HydrophobicContact CB-CE2 3.81Å; F724-F741 HydrophobicContact CB-CD1 4.29Å; F724-F741 HydrophobicContact CB-CE1 3.73Å; F724-F741 HydrophobicContact CB-CZ 3.84Å; F724-F741 AromaticContact CD1-CD1 3.6Å; F724-F741 HydrophobicContact CD1-CD1 3.6Å; F724-F741 AromaticContact CD1-CE1 3.89Å; F724-F741 HydrophobicContact CD1-CE1 3.89Å; F724-F741 HydrophobicContact CD1-CG 4.14Å; F724-F741 HydrophobicContact CD2-CB 4.37Å; F724-F741 AromaticContact CD2-CD1 3.93Å; F724-F741 HydrophobicContact CD2-CD1 3.93Å; F724-F741 AromaticContact CD2-CD2 3.81Å; F724-F741 HydrophobicContact CD2-CD2 3.81Å; F724-F741 HydrophobicContact CD2-CE1 4.08Å; F724-F741 AromaticContact CD2-CE2 3.97Å; F724-F741 HydrophobicContact CD2-CE2 3.97Å; F724-F741 AromaticContact CD2-CG 3.78Å; F724-F741 HydrophobicContact CD2-CG 3.78Å; F724-F741 HydrophobicContact CD2-CZ 4.09Å; F724-F741 HydrophobicContact CE1-CB 3.98Å; F724-F741 AromaticContact CE1-CD1 3.79Å; F724-F741 HydrophobicContact CE1-CD1 3.79Å; F724-F741 HydrophobicContact CE1-CG 4.02Å; F724-F741 HydrophobicContact CE2-CB 3.74Å; F724-F741 HydrophobicContact CE2-CD1 4.11Å; F724-F741 AromaticContact CE2-CD2 3.88Å; F724-F741 HydrophobicContact CE2-CD2 3.88Å; F724-F741 HydrophobicContact CE2-CE2 4.5Å; F724-F741 AromaticContact CE2-CG 3.65Å; F724-F741 HydrophobicContact CE2-CG 3.65Å; F724-F741 AromaticContact CG-CD1 3.67Å; F724-F741 HydrophobicContact CG-CD1 3.67Å; F724-F741 HydrophobicContact CG-CD2 4.34Å; F724-F741 AromaticContact CG-CE1 3.63Å; F724-F741 HydrophobicContact CG-CE1 3.63Å; F724-F741 HydrophobicContact CG-CE2 4.31Å; F724-F741 HydrophobicContact CG-CG 4.02Å; F724-F741 AromaticContact CG-CZ 3.95Å; F724-F741 HydrophobicContact CG-CZ 3.95Å; F724-F741 HydrophobicContact CZ-CB 3.51Å; F724-F741 HydrophobicContact CZ-CD1 4.04Å; F724-F741 HydrophobicContact CZ-CD2 4.46Å; F724-F741 AromaticContact CZ-CG 3.77Å; F724-F741 HydrophobicContact CZ-CG 3.77Å; Y737-F741 WeakPolarHBondContact O-CB 3.27Å; Y737-F741 PolarHBondContact O-N 2.83Å; L738-F741 PolarHBondContact O-N 2.97Å; A739-F741 VanDerWaalsContact C-N 3.34Å; F741-A744 PolarHBondContact O-N 2.77Å; F741-L745 HydrophobicContact CD1-CD1 4.14Å; F741-L745 HydrophobicContact CD2-CD1 4.41Å; F741-L745 HydrophobicContact CD2-CG 4.29Å; F741-L745 HydrophobicContact CE1-CD1 3.57Å; F741-L745 HydrophobicContact CE1-CG 4.43Å; F741-L745 HydrophobicContact CE2-CD1 3.88Å; F741-L745 HydrophobicContact CE2-CD2 4.33Å; F741-L745 HydrophobicContact CE2-CG 3.92Å; F741-L745 HydrophobicContact CZ-CD1 3.44Å; F741-L745 VanDerWaalsContact CZ-CD1 3.44Å; F741-L745 HydrophobicContact CZ-CD2 4.47Å; F741-L745 HydrophobicContact CZ-CG 4.02Å; F741-L745 WeakPolarHBondContact O-CB 3.22Å; F741-L745 PolarHBondContact O-N 3.12Å; F741-L771 HydrophobicContact CE1-CD1 3.84Å; F741-L771 HydrophobicContact CE1-CD2 4.25Å; F741-L771 HydrophobicContact CZ-CD1 4.21Å; F741-L771 HydrophobicContact CZ-CD2 4.34Å |
| 742 | Y | 93.9 | Very high | 88.9 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 6% | 0.059 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 175.7 | -64.7 | -6.4 | 0 | 0 | 0 | 112.2 | L738 L745 Q746 L776 D777 I779 L782 | L738-Y742 HydrophobicContact CD1-CE1 3.76Å; L738-Y742 WeakPolarHBondContact CD1-OH 3.11Å; L738-Y742 HydrophobicContact CD2-CE2 4.32Å; L738-Y742 HydrophobicContact CG-CE1 3.99Å; L738-Y742 HydrophobicContact CG-CE2 3.93Å; L738-Y742 WeakPolarHBondContact O-CD1 3.49Å; L738-Y742 PolarHBondContact O-N 3.04Å; Y742-L745 PolarHBondContact O-N 3.1Å; Y742-Q746 WeakPolarHBondContact O-CB 3.27Å; Y742-Q746 PolarHBondContact O-N 3.33Å; Y742-L776 WeakPolarHBondContact OH-CB 3.5Å; Y742-L776 PolarHBondContact OH-O 3.13Å; Y742-D777 WeakPolarHBondContact CE2-O 3.35Å; Y742-D777 PolarHBondContact OH-O 3.17Å; Y742-I779 HydrophobicContact CD1-CD1 4.3Å; Y742-I779 HydrophobicContact CE1-CD1 3.52Å; Y742-I779 WeakPolarHBondContact OH-CA 3.45Å; Y742-I779 PolarHBondContact OH-N 3.15Å; Y742-L782 HydrophobicContact CD1-CD1 3.8Å; Y742-L782 HydrophobicContact CD1-CG 4.46Å; Y742-L782 HydrophobicContact CE1-CD1 4.39Å; Y742-L782 HydrophobicContact CG-CD1 4.27Å; Y742-L782 HydrophobicContact CG-CG 4.5Å |
| 743 | M | 89.4 | Confident | 87.6 | Confident | 81 Ų | 81 | 51.4 Ų | 51.4 | 40% | 0.399 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 173.8 | -70.4 | -69.4 | 174.1 | 0 | 0 | 112.1 | A739 Q747 L839 | A739-M743 VanDerWaalsContact O-CG 3.29Å; A739-M743 WeakPolarHBondContact O-CG 3.38Å; A739-M743 PolarHBondContact O-N 3.32Å; A739-M743 VanDerWaalsContact O-N 3.09Å; M743-Q747 WeakPolarHBondContact O-CB 3.44Å; M743-Q747 PolarHBondContact O-N 2.92Å; M743-L839 HydrophobicContact CE-CB 4.09Å; M743-L839 HydrophobicContact CE-CD1 4.05Å; M743-L839 HydrophobicContact CE-CD2 4.08Å; M743-L839 HydrophobicContact CE-CG 4.3Å |
| 744 | A | 91.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A652 I717 R740 F741 Q747 C748 | A652-A744 HydrophobicContact CB-CB 4.08Å; I717-A744 HydrophobicContact CD1-CB 3.92Å; R740-A744 WeakPolarHBondContact O-CB 3.43Å; R740-A744 PolarHBondContact O-N 3.37Å; F741-A744 PolarHBondContact O-N 2.77Å; A744-Q747 PolarHBondContact O-N 3.01Å; A744-C748 PolarHBondContact O-N 3.14Å; A744-C748 PolarHBondContact O-SG 3.14Å |
| 745 | L | 92.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.7 | -49.9 | 176 | -79 | -179 | 0 | 0 | 0 | 111.5 | I717 F741 Y742 Q747 C748 L749 I764 L771 L782 F786 | I717-L745 HydrophobicContact CD1-CD2 3.98Å; I717-L745 HydrophobicContact CD1-CG 4.35Å; I717-L745 HydrophobicContact CG1-CD2 4.04Å; F741-L745 HydrophobicContact CD1-CD1 4.14Å; F741-L745 HydrophobicContact CD2-CD1 4.41Å; F741-L745 HydrophobicContact CD2-CG 4.29Å; F741-L745 HydrophobicContact CE1-CD1 3.57Å; F741-L745 HydrophobicContact CE1-CG 4.43Å; F741-L745 HydrophobicContact CE2-CD1 3.88Å; F741-L745 HydrophobicContact CE2-CD2 4.33Å; F741-L745 HydrophobicContact CE2-CG 3.92Å; F741-L745 HydrophobicContact CZ-CD1 3.44Å; F741-L745 VanDerWaalsContact CZ-CD1 3.44Å; F741-L745 HydrophobicContact CZ-CD2 4.47Å; F741-L745 HydrophobicContact CZ-CG 4.02Å; F741-L745 WeakPolarHBondContact O-CB 3.22Å; F741-L745 PolarHBondContact O-N 3.12Å; Y742-L745 PolarHBondContact O-N 3.1Å; L745-Q747 PolarHBondContact O-N 3.05Å; L745-C748 CarbonylContact O-C 3.54Å; L745-C748 PolarHBondContact O-N 3.1Å; L745-L749 HydrophobicContact CB-CD1 4.37Å; L745-L749 WeakPolarHBondContact O-CB 3.4Å; L745-L749 VanDerWaalsContact O-CG 3.24Å; L745-L749 WeakPolarHBondContact O-CG 3.22Å; L745-L749 PolarHBondContact O-N 3.31Å; L745-I764 HydrophobicContact CD2-CB 4.44Å; L745-I764 HydrophobicContact CD2-CD1 3.66Å; L745-I764 HydrophobicContact CD2-CG1 3.75Å; L745-I764 HydrophobicContact CD2-CG2 3.81Å; L745-L771 HydrophobicContact CD1-CD2 3.85Å; L745-L782 HydrophobicContact CB-CD1 3.93Å; L745-L782 HydrophobicContact CD1-CD1 3.46Å; L745-L782 VanDerWaalsContact CD1-CD1 3.46Å; L745-L782 HydrophobicContact CG-CD1 4.35Å; L745-F786 HydrophobicContact CD1-CE2 4.32Å; L745-F786 HydrophobicContact CD1-CZ 4.43Å |
| 746 | Q | 87 | Confident | 84.3 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 16% | 0.164 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.8 | -33.9 | 179.8 | -166.8 | 173.8 | 15.2 | 0 | 0 | 112.1 | Y742 K750 L782 D838 T840 | Y742-Q746 WeakPolarHBondContact O-CB 3.27Å; Y742-Q746 PolarHBondContact O-N 3.33Å; Q746-K750 WeakPolarHBondContact O-CG 3.43Å; Q746-L782 HydrophobicContact CB-CD2 4.21Å; Q746-D838 PolarHBondContact NE2-OD1 3.04Å; Q746-T840 PolarHBondContact NE2-OG1 2.87Å |
| 747 | Q | 86.6 | Confident | 83.8 | Confident | 18 Ų | 18 | 52.8 Ų | 52.8 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.2 | -25.7 | 174.3 | -158.6 | -167 | -99.7 | 0 | 0 | 113.7 | H653 T658 R713 M743 A744 L745 | H653-Q747 PolarHBondContact O-NE2 2.63Å; T658-Q747 PolarHBondContact OG1-OE1 3.29Å; R713-Q747 PolarHBondContact NH2-O 2.85Å; M743-Q747 WeakPolarHBondContact O-CB 3.44Å; M743-Q747 PolarHBondContact O-N 2.92Å; A744-Q747 PolarHBondContact O-N 3.01Å; L745-Q747 PolarHBondContact O-N 3.05Å |
| 748 | C | 88.3 | Confident | 83.3 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -93.1 | -16.6 | 176.5 | -65 | 0 | 0 | 0 | 0 | 113.5 | R713 I717 A744 L745 I764 | R713-C748 VanDerWaalsContact CZ-SG 3.55Å; R713-C748 PolarHBondContact NH2-SG 3.21Å; I717-C748 HydrophobicContact CG1-CB 4.42Å; A744-C748 PolarHBondContact O-N 3.14Å; A744-C748 PolarHBondContact O-SG 3.14Å; L745-C748 CarbonylContact O-C 3.54Å; L745-C748 PolarHBondContact O-N 3.1Å; C748-I764 HydrophobicContact CB-CD1 3.34Å |
| 749 | L | 87.2 | Confident | 83.1 | Confident | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -90.1 | 1.2 | 173.9 | -67.6 | 171.1 | 0 | 0 | 0 | 112.9 | L745 I751 L761 I764 F786 A789 | L745-L749 HydrophobicContact CB-CD1 4.37Å; L745-L749 WeakPolarHBondContact O-CB 3.4Å; L745-L749 VanDerWaalsContact O-CG 3.24Å; L745-L749 WeakPolarHBondContact O-CG 3.22Å; L745-L749 PolarHBondContact O-N 3.31Å; L749-I751 PolarHBondContact O-N 2.79Å; L749-I751 VanDerWaalsContact O-N 3.08Å; L749-L761 HydrophobicContact CD2-CD1 3.77Å; L749-I764 HydrophobicContact CD2-CD1 4.25Å; L749-I764 HydrophobicContact CD2-CG2 4.05Å; L749-I764 HydrophobicContact CG-CD1 4.31Å; L749-F786 HydrophobicContact CD1-CD2 3.64Å; L749-F786 HydrophobicContact CD1-CE2 3.68Å; L749-F786 HydrophobicContact CD1-CG 4.19Å; L749-F786 HydrophobicContact CD1-CZ 4.23Å; L749-A789 HydrophobicContact CD2-CB 4.29Å |
| 750 | K | 79.6 | Confident | 83 | Confident | 112 Ų | 112 | 49.6 Ų | 49.6 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | trans | -68.5 | 102.3 | 174.1 | -78 | -166.6 | 179 | -171.9 | 0 | 110.4 | D657 Q746 | D657-K750 IonicContact OD2-NZ 2.7Å; D657-K750 PolarHBondContact OD2-NZ 3.1Å; Q746-K750 WeakPolarHBondContact O-CG 3.43Å | ||
| 751 | I | 71.8 | Confident | 83 | Confident | 66 Ų | 66 | 44.1 Ų | 44.1 | 34% | 0.338 | 21% | 0.21 | S | C | . | . | trans | -59.7 | 134.5 | 176.1 | -67.6 | 166.8 | 0 | 0 | 0 | 111 | L749 A788 I792 | L749-I751 PolarHBondContact O-N 2.79Å; L749-I751 VanDerWaalsContact O-N 3.08Å; I751-A788 HydrophobicContact CD1-CB 3.37Å; I751-A788 WeakPolarHBondContact CD1-O 3.23Å; I751-I792 HydrophobicContact CB-CD1 4.43Å; I751-I792 HydrophobicContact CD1-CD1 3.78Å; I751-I792 HydrophobicContact CG1-CD1 3.78Å; I751-I792 HydrophobicContact CG2-CD1 3.82Å | ||
| 752 | T | 67.7 | Low | 82.8 | Confident | 53 Ų | 53 | 44.1 Ų | 44.1 | 33% | 0.325 | 21% | 0.21 | S | C | . | . | trans | -80.9 | 154.5 | 173.9 | 61.4 | 0 | 0 | 0 | 0 | 111.6 | S754 R755 | T752-S754 PolarHBondContact O-N 2.62Å; T752-R755 PolarHBondContact O-N 3.32Å | ||
| 753 | E | 64.2 | Low | 82.7 | Confident | 204 Ų | 204 | 43.5 Ų | 43.5 | 95% | 0.953 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -26.5 | -173.8 | -63.7 | 179.8 | 164.7 | 0 | 0 | 114.3 | R755 | E753-R755 VanDerWaalsContact C-N 3.28Å; E753-R755 PolarHBondContact O-N 3.35Å |
| 754 | S | 63.7 | Low | 83 | Confident | 62 Ų | 62 | 39.6 Ų | 39.6 | 43% | 0.434 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -5.6 | 177.7 | 57.1 | 0 | 0 | 0 | 0 | 115 | T752 E756 K802 | T752-S754 PolarHBondContact O-N 2.62Å; S754-E756 VanDerWaalsContact CB-OE2 3.31Å; S754-E756 WeakPolarHBondContact CB-OE2 3.37Å; S754-E756 PolarHBondContact O-N 3.08Å; S754-E756 PolarHBondContact OG-OE2 3.47Å; S754-K802 PolarHBondContact OG-NZ 2.98Å |
| 755 | R | 72.2 | Confident | 83.1 | Confident | 182 Ų | 182 | 39.6 Ų | 39.6 | 69% | 0.687 | 19% | 0.189 | S | C | * | . | trans | 54.7 | 24.6 | -173.8 | -59 | -174.5 | 175.7 | -164 | -0.9 | 114.6 | T752 E753 I792 | T752-R755 PolarHBondContact O-N 3.32Å; E753-R755 VanDerWaalsContact C-N 3.28Å; E753-R755 PolarHBondContact O-N 3.35Å; R755-I792 WeakPolarHBondContact O-CG2 3.28Å | ||
| 756 | E | 74.5 | Confident | 83.2 | Confident | 67 Ų | 67 | 41.3 Ų | 41.3 | 31% | 0.313 | 20% | 0.197 | S | C | . | . | trans | -81.5 | 152 | 177.1 | -67.4 | 167.2 | 132.1 | 0 | 0 | 111.4 | S754 D758 K802 | S754-E756 VanDerWaalsContact CB-OE2 3.31Å; S754-E756 WeakPolarHBondContact CB-OE2 3.37Å; S754-E756 PolarHBondContact O-N 3.08Å; S754-E756 PolarHBondContact OG-OE2 3.47Å; E756-D758 PolarHBondContact O-N 3.4Å; E756-K802 HydrophobicContact CB-CD 4.46Å; E756-K802 WeakPolarHBondContact OE2-CE 3.17Å; E756-K802 IonicContact OE2-NZ 2.95Å; E756-K802 PolarHBondContact OE2-NZ 3.31Å | ||
| 757 | C | 82 | Confident | 83.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -84.1 | 112.4 | 172.5 | -169.1 | 0 | 0 | 0 | 0 | 109.7 | I792 V793 L799 K800 L801 K802 | C757-I792 HydrophobicContact CB-CG2 4.21Å; C757-V793 HydrophobicContact CB-CG2 4.49Å; C757-L799 HydrophobicContact CB-CD1 3.95Å; C757-K800 PolarHBondContact N-O 2.93Å; C757-L801 HydrophobicContact CB-CD2 4.09Å; C757-K802 PolarHBondContact O-N 2.61Å |
| 758 | D | 86.3 | Confident | 83.8 | Confident | 15 Ų | 15 | 41.2 Ų | 41.2 | 8% | 0.08 | 20% | 0.197 | C | C | . | . | trans | -85.7 | 166.7 | 176.4 | 75.2 | 52.4 | 0 | 0 | 0 | 112.3 | E710 E756 T760 L761 A762 | E710-D758 WeakPolarHBondContact OE1-CB 3.48Å; E756-D758 PolarHBondContact O-N 3.4Å; D758-T760 PolarHBondContact O-N 3.02Å; D758-T760 WeakPolarHBondContact OD1-CA 3.5Å; D758-T760 WeakPolarHBondContact OD1-CB 3.31Å; D758-T760 PolarHBondContact OD1-N 3.49Å; D758-T760 PolarHBondContact OD1-OG1 3.17Å; D758-L761 PolarHBondContact O-N 3.14Å; D758-L761 PolarHBondContact OD1-N 3.37Å; D758-A762 WeakPolarHBondContact O-CB 3.4Å; D758-A762 PolarHBondContact O-N 3.14Å | ||
| 759 | E | 88.5 | Confident | 83.9 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.6 | -28 | -175.4 | -61.5 | -168.1 | 151.5 | 0 | 0 | 111.7 | E710 S711 A714 S763 T803 S805 M806 F808 | E710-E759 HydrophobicContact CG-CB 4.41Å; E710-E759 WeakPolarHBondContact OE1-CB 3.26Å; E710-E759 PolarHBondContact OE1-N 3.47Å; S711-E759 WeakPolarHBondContact CA-OE2 3.19Å; S711-E759 WeakPolarHBondContact CB-OE2 3.47Å; S711-E759 PolarHBondContact OG-OE2 3.46Å; A714-E759 HydrophobicContact CB-CB 3.98Å; A714-E759 WeakPolarHBondContact CB-O 3.44Å; E759-S763 VanDerWaalsContact O-CB 3.23Å; E759-S763 WeakPolarHBondContact O-CB 3.36Å; E759-S763 PolarHBondContact O-N 3.04Å; E759-T803 WeakPolarHBondContact OE1-CB 3.35Å; E759-T803 WeakPolarHBondContact OE1-CG2 3.48Å; E759-S805 PolarHBondContact OE1-N 3.26Å; E759-M806 PolarHBondContact OE1-N 3.11Å; E759-M806 VanDerWaalsContact OE1-N 3.08Å; E759-F808 HydrophobicContact CB-CE2 4.09Å; E759-F808 HydrophobicContact CB-CZ 4.25Å; E759-F808 HydrophobicContact CG-CE2 4.07Å |
| 760 | T | 89.9 | Confident | 84 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.9 | -40.1 | 177.4 | 68.2 | 0 | 0 | 0 | 0 | 112.1 | E710 R713 A714 D758 S763 I764 | E710-T760 HydrophobicContact CG-CG2 3.96Å; R713-T760 HydrophobicContact CB-CG2 4.26Å; R713-T760 HydrophobicContact CG-CG2 3.87Å; A714-T760 HydrophobicContact CB-CG2 3.96Å; D758-T760 PolarHBondContact O-N 3.02Å; D758-T760 WeakPolarHBondContact OD1-CA 3.5Å; D758-T760 WeakPolarHBondContact OD1-CB 3.31Å; D758-T760 PolarHBondContact OD1-N 3.49Å; D758-T760 PolarHBondContact OD1-OG1 3.17Å; T760-S763 PolarHBondContact O-N 3.13Å; T760-I764 VanDerWaalsContact O-CG1 3.31Å; T760-I764 WeakPolarHBondContact O-CG1 3.32Å; T760-I764 PolarHBondContact O-N 2.8Å |
| 761 | L | 90.9 | Very high | 84.7 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -46.5 | 174.7 | -165.5 | 66.5 | 0 | 0 | 0 | 111.2 | L749 D758 I764 L765 A789 I792 | L749-L761 HydrophobicContact CD2-CD1 3.77Å; D758-L761 PolarHBondContact O-N 3.14Å; D758-L761 PolarHBondContact OD1-N 3.37Å; L761-I764 PolarHBondContact O-N 3.5Å; L761-L765 WeakPolarHBondContact O-CG 3.48Å; L761-L765 PolarHBondContact O-N 3.33Å; L761-A789 HydrophobicContact CD1-CB 3.57Å; L761-A789 HydrophobicContact CD2-CB 4.42Å; L761-A789 HydrophobicContact CG-CB 4.21Å; L761-I792 HydrophobicContact CD2-CD1 4.28Å |
| 762 | A | 90.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | D758 L765 L766 L801 F808 L813 | D758-A762 WeakPolarHBondContact O-CB 3.4Å; D758-A762 PolarHBondContact O-N 3.14Å; A762-L765 PolarHBondContact O-N 3.36Å; A762-L766 VanDerWaalsContact O-CB 3.29Å; A762-L766 WeakPolarHBondContact O-CB 3.19Å; A762-L766 PolarHBondContact O-N 3.4Å; A762-L801 HydrophobicContact CB-CD2 4.15Å; A762-F808 HydrophobicContact CB-CD1 4.18Å; A762-F808 HydrophobicContact CB-CD2 4.17Å; A762-F808 HydrophobicContact CB-CE1 4Å; A762-F808 HydrophobicContact CB-CE2 3.99Å; A762-F808 HydrophobicContact CB-CG 4.26Å; A762-F808 HydrophobicContact CB-CZ 3.9Å; A762-L813 HydrophobicContact CB-CD1 4.36Å; A762-L813 HydrophobicContact CB-CD2 4.03Å; A762-L813 WeakPolarHBondContact O-CD1 3.48Å |
| 763 | S | 92.7 | Very high | 86.9 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 177.9 | -177.4 | 0 | 0 | 0 | 0 | 112.7 | A714 G718 E759 T760 H767 | A714-S763 WeakPolarHBondContact O-CB 3.49Å; A714-S763 PolarHBondContact O-OG 3.11Å; G718-S763 VanDerWaalsContact CA-OG 3.26Å; G718-S763 WeakPolarHBondContact CA-OG 3.48Å; E759-S763 VanDerWaalsContact O-CB 3.23Å; E759-S763 WeakPolarHBondContact O-CB 3.36Å; E759-S763 PolarHBondContact O-N 3.04Å; T760-S763 PolarHBondContact O-N 3.13Å; S763-H767 WeakPolarHBondContact O-CB 3.33Å; S763-H767 PolarHBondContact O-CD2 3.34Å; S763-H767 VanDerWaalsContact O-CD2 3.27Å; S763-H767 PolarHBondContact O-N 2.74Å; S763-H767 VanDerWaalsContact O-N 3.13Å |
| 764 | I | 95 | Very high | 88.1 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.1 | -55.4 | 174.7 | -71.3 | 165.3 | 0 | 0 | 0 | 110.4 | I717 L745 C748 L749 T760 L761 L766 H767 S768 F786 | I717-I764 HydrophobicContact CG1-CD1 3.88Å; I717-I764 HydrophobicContact CG1-CG1 3.8Å; I717-I764 HydrophobicContact CG2-CD1 4.25Å; I717-I764 HydrophobicContact CG2-CG1 3.92Å; L745-I764 HydrophobicContact CD2-CB 4.44Å; L745-I764 HydrophobicContact CD2-CD1 3.66Å; L745-I764 HydrophobicContact CD2-CG1 3.75Å; L745-I764 HydrophobicContact CD2-CG2 3.81Å; C748-I764 HydrophobicContact CB-CD1 3.34Å; L749-I764 HydrophobicContact CD2-CD1 4.25Å; L749-I764 HydrophobicContact CD2-CG2 4.05Å; L749-I764 HydrophobicContact CG-CD1 4.31Å; T760-I764 VanDerWaalsContact O-CG1 3.31Å; T760-I764 WeakPolarHBondContact O-CG1 3.32Å; T760-I764 PolarHBondContact O-N 2.8Å; L761-I764 PolarHBondContact O-N 3.5Å; I764-L766 VanDerWaalsContact C-N 3.25Å; I764-L766 PolarHBondContact O-N 3.28Å; I764-H767 PolarHBondContact O-N 2.79Å; I764-H767 VanDerWaalsContact O-N 3.17Å; I764-S768 VanDerWaalsContact O-CB 3.27Å; I764-S768 WeakPolarHBondContact O-CB 3.5Å; I764-S768 PolarHBondContact O-N 3.02Å; I764-S768 PolarHBondContact O-OG 3.17Å; I764-F786 HydrophobicContact CG2-CE1 3.72Å; I764-F786 HydrophobicContact CG2-CZ 3.76Å |
| 765 | L | 94.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.8 | -35.6 | -176.6 | -71.4 | 174.5 | 0 | 0 | 0 | 112.2 | L761 A762 F786 A789 L790 V793 L813 S816 I820 | L761-L765 WeakPolarHBondContact O-CG 3.48Å; L761-L765 PolarHBondContact O-N 3.33Å; A762-L765 PolarHBondContact O-N 3.36Å; L765-F786 HydrophobicContact CD2-CD1 4.12Å; L765-F786 HydrophobicContact CD2-CE1 4.39Å; L765-A789 HydrophobicContact CD1-CB 4.12Å; L765-A789 HydrophobicContact CD2-CB 4.22Å; L765-A789 HydrophobicContact CG-CB 4.45Å; L765-L790 HydrophobicContact CD2-CD2 4.15Å; L765-V793 HydrophobicContact CD1-CB 4.16Å; L765-V793 HydrophobicContact CD1-CG1 4.49Å; L765-V793 HydrophobicContact CD1-CG2 3.62Å; L765-L813 HydrophobicContact CB-CD1 3.77Å; L765-S816 WeakPolarHBondContact O-CB 3.37Å; L765-I820 HydrophobicContact CD2-CD1 3.74Å |
| 766 | L | 93 | Very high | 90 | Very high | 35 Ų | 35 | 15.1 Ų | 15.1 | 18% | 0.183 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67 | -39.7 | 176.9 | -173.9 | 64.5 | 0 | 0 | 0 | 112.9 | A762 I764 F808 E812 L813 S816 | A762-L766 VanDerWaalsContact O-CB 3.29Å; A762-L766 WeakPolarHBondContact O-CB 3.19Å; A762-L766 PolarHBondContact O-N 3.4Å; I764-L766 VanDerWaalsContact C-N 3.25Å; I764-L766 PolarHBondContact O-N 3.28Å; L766-F808 HydrophobicContact CD2-CD1 4.17Å; L766-E812 HydrophobicContact CD1-CB 4.19Å; L766-E812 HydrophobicContact CD1-CG 4.11Å; L766-L813 HydrophobicContact CB-CD1 4.36Å; L766-S816 PolarHBondContact O-OG 3.09Å |
| 767 | H | 93.5 | Very high | 90.7 | Very high | 51 Ų | 51 | 18.1 Ų | 18.1 | 24% | 0.236 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -105.7 | 4.7 | -170.6 | -63.2 | -52.5 | 0 | 0 | 0 | 115.5 | C721 K722 S763 I764 | C721-H767 CarbonylContact C-O 3.57Å; C721-H767 HydrophobicContact CB-CB 3.85Å; C721-H767 VanDerWaalsContact CB-O 3.26Å; C721-H767 WeakPolarHBondContact CB-O 3.34Å; K722-H767 HydrophobicContact CG-CB 4.21Å; S763-H767 WeakPolarHBondContact O-CB 3.33Å; S763-H767 PolarHBondContact O-CD2 3.34Å; S763-H767 VanDerWaalsContact O-CD2 3.27Å; S763-H767 PolarHBondContact O-N 2.74Å; S763-H767 VanDerWaalsContact O-N 3.13Å; I764-H767 PolarHBondContact O-N 2.79Å; I764-H767 VanDerWaalsContact O-N 3.17Å |
| 768 | S | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -115.1 | 20.4 | 178.8 | 61.8 | 0 | 0 | 0 | 0 | 114.4 | I764 D770 L771 F786 | I764-S768 VanDerWaalsContact O-CB 3.27Å; I764-S768 WeakPolarHBondContact O-CB 3.5Å; I764-S768 PolarHBondContact O-N 3.02Å; I764-S768 PolarHBondContact O-OG 3.17Å; S768-D770 PolarHBondContact O-N 3.44Å; S768-D770 VanDerWaalsContact O-N 3.08Å; S768-L771 VanDerWaalsContact O-CB 3.23Å; S768-L771 WeakPolarHBondContact O-CB 3.36Å; S768-L771 PolarHBondContact O-N 3.15Å; S768-F786 WeakPolarHBondContact OG-CE1 3.35Å | ||
| 769 | S | 90.3 | Very high | 91.3 | Very high | 24 Ų | 24 | 20.1 Ų | 20.1 | 17% | 0.168 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -36 | -178 | 52.5 | 0 | 0 | 0 | 0 | 115 | R773 | S769-R773 VanDerWaalsContact O-CZ 3.29Å; S769-R773 PolarHBondContact O-NE 3.2Å |
| 770 | D | 89.8 | Confident | 91.3 | Very high | 38 Ų | 38 | 21.8 Ų | 21.8 | 20% | 0.203 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 1.3 | -178.4 | -69.9 | -82.3 | 0 | 0 | 0 | 114 | S768 F772 R773 L774 R1643 | S768-D770 PolarHBondContact O-N 3.44Å; S768-D770 VanDerWaalsContact O-N 3.08Å; D770-F772 VanDerWaalsContact C-N 3.33Å; D770-F772 PolarHBondContact O-N 2.9Å; D770-R773 WeakPolarHBondContact O-CA 3.43Å; D770-R773 VanDerWaalsContact O-CB 3.27Å; D770-R773 WeakPolarHBondContact O-CB 3.28Å; D770-R773 PolarHBondContact O-N 3.16Å; D770-R773 VanDerWaalsContact OD1-CD 3.3Å; D770-R773 WeakPolarHBondContact OD1-CD 3.24Å; D770-R773 IonicContact OD1-CZ 3.67Å; D770-R773 IonicContact OD1-NE 2.84Å; D770-R773 IonicContact OD1-NH1 2.71Å; D770-R773 PolarHBondContact OD1-NH1 3.46Å; D770-R773 IonicContact OD2-NH1 2.72Å; D770-L774 WeakPolarHBondContact O-CG 3.38Å; D770-R1643 IonicContact OD1-CZ 2.88Å; D770-R1643 IonicContact OD1-NH2 3.22Å; D770-R1643 PolarHBondContact OD1-NH2 3.12Å |
| 771 | L | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -61.1 | -37.8 | -166.8 | -175.3 | 64.4 | 0 | 0 | 0 | 113.7 | F724 F741 L745 S768 R773 L776 I779 F786 | F724-L771 HydrophobicContact CB-CD1 4.32Å; F741-L771 HydrophobicContact CE1-CD1 3.84Å; F741-L771 HydrophobicContact CE1-CD2 4.25Å; F741-L771 HydrophobicContact CZ-CD1 4.21Å; F741-L771 HydrophobicContact CZ-CD2 4.34Å; L745-L771 HydrophobicContact CD1-CD2 3.85Å; S768-L771 VanDerWaalsContact O-CB 3.23Å; S768-L771 WeakPolarHBondContact O-CB 3.36Å; S768-L771 PolarHBondContact O-N 3.15Å; L771-R773 PolarHBondContact O-N 3.15Å; L771-L776 HydrophobicContact CD1-CD1 3.45Å; L771-L776 VanDerWaalsContact CD1-CD1 3.45Å; L771-L776 HydrophobicContact CG-CD1 4.47Å; L771-I779 HydrophobicContact CD1-CD1 4.3Å; L771-I779 HydrophobicContact CD2-CD1 4.02Å; L771-I779 HydrophobicContact CG-CD1 3.92Å; L771-I779 HydrophobicContact CG-CG1 4.46Å; L771-F786 HydrophobicContact CD2-CE2 4.12Å; L771-F786 HydrophobicContact CD2-CZ 3.85Å |
| 772 | F | 93.5 | Very high | 91.3 | Very high | 20 Ų | 20 | 23.1 Ų | 23.1 | 9% | 0.088 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -81.3 | 3.3 | 176.8 | -69.4 | -81.1 | 0 | 0 | 0 | 113.8 | D770 I779 L783 F786 I820 I824 | D770-F772 VanDerWaalsContact C-N 3.33Å; D770-F772 PolarHBondContact O-N 2.9Å; F772-I779 HydrophobicContact CD1-CG1 4Å; F772-I779 HydrophobicContact CD1-CG2 4.37Å; F772-I779 HydrophobicContact CE1-CG1 3.91Å; F772-L783 HydrophobicContact CD1-CD2 4.07Å; F772-L783 HydrophobicContact CE1-CD2 3.51Å; F772-L783 HydrophobicContact CE1-CG 3.92Å; F772-L783 HydrophobicContact CZ-CD2 3.87Å; F772-L783 HydrophobicContact CZ-CG 4.42Å; F772-F786 HydrophobicContact CE2-CB 4.22Å; F772-F786 HydrophobicContact CE2-CD1 4.08Å; F772-F786 AromaticContact CE2-CD2 3.64Å; F772-F786 HydrophobicContact CE2-CD2 3.64Å; F772-F786 HydrophobicContact CE2-CE1 4.34Å; F772-F786 AromaticContact CE2-CE2 3.92Å; F772-F786 HydrophobicContact CE2-CE2 3.92Å; F772-F786 AromaticContact CE2-CG 3.71Å; F772-F786 HydrophobicContact CE2-CG 3.71Å; F772-F786 HydrophobicContact CE2-CZ 4.26Å; F772-F786 HydrophobicContact CZ-CB 4.25Å; F772-F786 AromaticContact CZ-CD2 3.51Å; F772-F786 HydrophobicContact CZ-CD2 3.51Å; F772-F786 AromaticContact CZ-CE2 3.97Å; F772-F786 HydrophobicContact CZ-CE2 3.97Å; F772-F786 AromaticContact CZ-CG 3.92Å; F772-F786 HydrophobicContact CZ-CG 3.92Å; F772-I820 HydrophobicContact CD2-CG2 4.08Å; F772-I820 HydrophobicContact CE2-CG2 4.11Å; F772-I824 HydrophobicContact CB-CG2 4Å; F772-I824 HydrophobicContact CD1-CG2 3.9Å; F772-I824 HydrophobicContact CD2-CG2 3.81Å; F772-I824 HydrophobicContact CE1-CG2 4.34Å; F772-I824 HydrophobicContact CE2-CG2 4.25Å; F772-I824 HydrophobicContact CG-CG2 3.62Å; F772-I824 HydrophobicContact CZ-CG2 4.49Å |
| 773 | R | 91.5 | Very high | 91.3 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 3% | 0.026 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -109 | 13.1 | -174.6 | -43.5 | 177.8 | -176.6 | 172.8 | -22.2 | 113.4 | S769 D770 L771 N819 S823 R1643 G1662 V1664 | S769-R773 VanDerWaalsContact O-CZ 3.29Å; S769-R773 PolarHBondContact O-NE 3.2Å; D770-R773 WeakPolarHBondContact O-CA 3.43Å; D770-R773 VanDerWaalsContact O-CB 3.27Å; D770-R773 WeakPolarHBondContact O-CB 3.28Å; D770-R773 PolarHBondContact O-N 3.16Å; D770-R773 VanDerWaalsContact OD1-CD 3.3Å; D770-R773 WeakPolarHBondContact OD1-CD 3.24Å; D770-R773 IonicContact OD1-CZ 3.67Å; D770-R773 IonicContact OD1-NE 2.84Å; D770-R773 IonicContact OD1-NH1 2.71Å; D770-R773 PolarHBondContact OD1-NH1 3.46Å; D770-R773 IonicContact OD2-NH1 2.72Å; L771-R773 PolarHBondContact O-N 3.15Å; R773-N819 VanDerWaalsContact NH2-CB 3.34Å; R773-N819 PolarHBondContact NH2-O 3.18Å; R773-N819 PolarHBondContact NH2-OD1 3.49Å; R773-S823 WeakPolarHBondContact CG-OG 3.3Å; R773-S823 PolarHBondContact NE-OG 3.09Å; R773-R1643 HydrophobicContact CB-CG 4.3Å; R773-R1643 WeakPolarHBondContact O-CD 3.44Å; R773-R1643 PolarHBondContact O-NH1 3.33Å; R773-G1662 WeakPolarHBondContact CD-O 3.36Å; R773-G1662 PolarHBondContact NE-O 2.81Å; R773-G1662 PolarHBondContact NH2-O 2.8Å; R773-V1664 HydrophobicContact CB-CG2 4.29Å; R773-V1664 HydrophobicContact CG-CG2 3.82Å |
| 774 | L | 89.4 | Confident | 91.1 | Very high | 12 Ų | 12 | 25.5 Ų | 25.5 | 6% | 0.063 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -124 | 3.6 | -165.6 | -69.8 | 167.7 | 0 | 0 | 0 | 114.5 | C725 K727 D770 L776 | C725-L774 HydrophobicContact CB-CD1 4.46Å; K727-L774 PolarHBondContact NZ-O 2.8Å; D770-L774 WeakPolarHBondContact O-CG 3.38Å; L774-L776 HydrophobicContact CB-CG 4.33Å; L774-L776 PolarHBondContact O-N 3.28Å |
| 775 | D | 86.1 | Confident | 90.8 | Very high | 34 Ų | 34 | 26.5 Ų | 26.5 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | trans | 42.9 | 60.8 | -172 | -58.5 | -60.7 | 0 | 0 | 0 | 112.8 | L1637 L1638 S1639 | D775-L1637 WeakPolarHBondContact OD2-CA 3.13Å; D775-L1637 WeakPolarHBondContact OD2-CB 3.29Å; D775-L1637 WeakPolarHBondContact OD2-CD2 3.37Å; D775-L1638 HydrophobicContact CB-CB 4Å; D775-L1638 HydrophobicContact CB-CD1 4.2Å; D775-L1638 HydrophobicContact CB-CG 4.34Å; D775-L1638 VanDerWaalsContact CG-N 3.34Å; D775-L1638 PolarHBondContact OD2-N 3.43Å; D775-S1639 WeakPolarHBondContact OD1-CB 3.31Å; D775-S1639 PolarHBondContact OD1-N 2.95Å; D775-S1639 PolarHBondContact OD1-OG 3.15Å | ||
| 776 | L | 91.6 | Very high | 90.7 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | trans | -80.8 | 126.1 | 170.4 | -69.7 | 176.4 | 0 | 0 | 0 | 109.3 | F724 K727 I733 L738 Y742 L771 L774 G778 I779 | F724-L776 HydrophobicContact CD1-CD1 4.38Å; K727-L776 HydrophobicContact CD-CD2 3.43Å; K727-L776 VanDerWaalsContact CD-CD2 3.43Å; K727-L776 HydrophobicContact CD-CG 4.42Å; I733-L776 HydrophobicContact CD1-CD2 3.89Å; L738-L776 HydrophobicContact CD1-CB 4.3Å; L738-L776 HydrophobicContact CD1-CD2 4.1Å; Y742-L776 WeakPolarHBondContact OH-CB 3.5Å; Y742-L776 PolarHBondContact OH-O 3.13Å; L771-L776 HydrophobicContact CD1-CD1 3.45Å; L771-L776 VanDerWaalsContact CD1-CD1 3.45Å; L771-L776 HydrophobicContact CG-CD1 4.47Å; L774-L776 HydrophobicContact CB-CG 4.33Å; L774-L776 PolarHBondContact O-N 3.28Å; L776-G778 PolarHBondContact O-N 2.93Å; L776-G778 VanDerWaalsContact O-N 3.15Å; L776-I779 HydrophobicContact CB-CB 4Å; L776-I779 HydrophobicContact CB-CG1 4.46Å; L776-I779 HydrophobicContact CD1-CD1 4.39Å; L776-I779 VanDerWaalsContact O-CB 3.3Å; L776-I779 WeakPolarHBondContact O-CB 3.39Å; L776-I779 VanDerWaalsContact O-CG2 3.27Å; L776-I779 WeakPolarHBondContact O-CG2 3.34Å; L776-I779 PolarHBondContact O-N 3.12Å | ||
| 777 | D | 89.2 | Confident | 90.7 | Very high | 129 Ų | 129 | 24.9 Ų | 24.9 | 69% | 0.69 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 120.4 | -174.7 | -69.6 | -57.6 | 0 | 0 | 0 | 111.9 | L738 Y742 I779 | L738-D777 HydrophobicContact CD2-CB 3.87Å; L738-D777 WeakPolarHBondContact CD2-O 3.43Å; Y742-D777 WeakPolarHBondContact CE2-O 3.35Å; Y742-D777 PolarHBondContact OH-O 3.17Å; D777-I779 VanDerWaalsContact C-N 3.3Å; D777-I779 PolarHBondContact O-N 3.38Å |
| 778 | G | 88.1 | Confident | 90.6 | Very high | 47 Ų | 47 | 23.3 Ų | 23.3 | 49% | 0.485 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 8.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | L776 N780 V781 | L776-G778 PolarHBondContact O-N 2.93Å; L776-G778 VanDerWaalsContact O-N 3.15Å; G778-N780 PolarHBondContact O-N 3.28Å; G778-V781 VanDerWaalsContact O-CB 3.3Å; G778-V781 WeakPolarHBondContact O-CB 3.48Å; G778-V781 VanDerWaalsContact O-CG2 3.23Å; G778-V781 WeakPolarHBondContact O-CG2 3.38Å; G778-V781 PolarHBondContact O-N 3.42Å |
| 779 | I | 91.4 | Very high | 90.5 | Very high | 10 Ų | 10 | 23.3 Ų | 23.3 | 5% | 0.051 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -52.2 | -30.8 | -176.9 | -170.3 | 63.8 | 0 | 0 | 0 | 114.3 | Y742 L771 F772 L776 D777 V781 L782 | Y742-I779 HydrophobicContact CD1-CD1 4.3Å; Y742-I779 HydrophobicContact CE1-CD1 3.52Å; Y742-I779 WeakPolarHBondContact OH-CA 3.45Å; Y742-I779 PolarHBondContact OH-N 3.15Å; L771-I779 HydrophobicContact CD1-CD1 4.3Å; L771-I779 HydrophobicContact CD2-CD1 4.02Å; L771-I779 HydrophobicContact CG-CD1 3.92Å; L771-I779 HydrophobicContact CG-CG1 4.46Å; F772-I779 HydrophobicContact CD1-CG1 4Å; F772-I779 HydrophobicContact CD1-CG2 4.37Å; F772-I779 HydrophobicContact CE1-CG1 3.91Å; L776-I779 HydrophobicContact CB-CB 4Å; L776-I779 HydrophobicContact CB-CG1 4.46Å; L776-I779 HydrophobicContact CD1-CD1 4.39Å; L776-I779 VanDerWaalsContact O-CB 3.3Å; L776-I779 WeakPolarHBondContact O-CB 3.39Å; L776-I779 VanDerWaalsContact O-CG2 3.27Å; L776-I779 WeakPolarHBondContact O-CG2 3.34Å; L776-I779 PolarHBondContact O-N 3.12Å; D777-I779 VanDerWaalsContact C-N 3.3Å; D777-I779 PolarHBondContact O-N 3.38Å; I779-V781 PolarHBondContact O-N 3.38Å; I779-L782 HydrophobicContact CD1-CD1 3.93Å; I779-L782 PolarHBondContact O-N 2.9Å |
| 780 | N | 89.7 | Confident | 90.6 | Very high | 38 Ų | 38 | 22.2 Ų | 22.2 | 20% | 0.203 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -57.4 | -21.6 | 179.5 | -65.1 | -35.3 | 0 | 0 | 0 | 114.1 | G778 L782 L783 F850 | G778-N780 PolarHBondContact O-N 3.28Å; N780-L782 PolarHBondContact O-N 2.85Å; N780-L783 HydrophobicContact CB-CD1 3.87Å; N780-L783 VanDerWaalsContact O-CB 3.3Å; N780-L783 WeakPolarHBondContact O-CB 3.45Å; N780-L783 WeakPolarHBondContact O-CD1 3.25Å; N780-L783 VanDerWaalsContact O-CG 3.28Å; N780-L783 WeakPolarHBondContact O-CG 3.3Å; N780-L783 PolarHBondContact O-N 3.08Å; N780-L783 VanDerWaalsContact O-N 3.1Å; N780-F850 HydrophobicContact CB-CE1 4.3Å; N780-F850 HydrophobicContact CB-CZ 3.75Å |
| 781 | V | 89.3 | Confident | 90.7 | Very high | 29 Ų | 29 | 23.9 Ų | 23.9 | 18% | 0.176 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -55.5 | -29.4 | 171.8 | 167.6 | 0 | 0 | 0 | 0 | 112.3 | G778 I779 P784 L839 | G778-V781 VanDerWaalsContact O-CB 3.3Å; G778-V781 WeakPolarHBondContact O-CB 3.48Å; G778-V781 VanDerWaalsContact O-CG2 3.23Å; G778-V781 WeakPolarHBondContact O-CG2 3.38Å; G778-V781 PolarHBondContact O-N 3.42Å; I779-V781 PolarHBondContact O-N 3.38Å; V781-P784 WeakPolarHBondContact O-CD 3.46Å; V781-L839 HydrophobicContact CG1-CD1 3.53Å; V781-L839 HydrophobicContact CG1-CG 3.6Å |
| 782 | L | 90.9 | Very high | 90.5 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -84.4 | -7.8 | -179.8 | -57.3 | -176.6 | 0 | 0 | 0 | 114.1 | Y742 L745 Q746 I779 N780 P784 G785 F786 | Y742-L782 HydrophobicContact CD1-CD1 3.8Å; Y742-L782 HydrophobicContact CD1-CG 4.46Å; Y742-L782 HydrophobicContact CE1-CD1 4.39Å; Y742-L782 HydrophobicContact CG-CD1 4.27Å; Y742-L782 HydrophobicContact CG-CG 4.5Å; L745-L782 HydrophobicContact CB-CD1 3.93Å; L745-L782 HydrophobicContact CD1-CD1 3.46Å; L745-L782 VanDerWaalsContact CD1-CD1 3.46Å; L745-L782 HydrophobicContact CG-CD1 4.35Å; Q746-L782 HydrophobicContact CB-CD2 4.21Å; I779-L782 HydrophobicContact CD1-CD1 3.93Å; I779-L782 PolarHBondContact O-N 2.9Å; N780-L782 PolarHBondContact O-N 2.85Å; L782-P784 VanDerWaalsContact C-CD 3.46Å; L782-G785 PolarHBondContact O-N 3.35Å; L782-G785 VanDerWaalsContact O-N 3.14Å; L782-F786 HydrophobicContact CB-CD2 3.89Å; L782-F786 HydrophobicContact CB-CE2 4.06Å; L782-F786 HydrophobicContact CD1-CE2 4.22Å; L782-F786 PolarHBondContact O-N 3.24Å; L782-F786 VanDerWaalsContact O-N 3.1Å |
| 783 | L | 91 | Very high | 90.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -53.2 | -43 | -176.7 | -73.4 | 167.6 | 0 | 0 | 0 | 114 | F772 N780 G785 F786 I787 I824 L827 I836 F850 L853 | F772-L783 HydrophobicContact CD1-CD2 4.07Å; F772-L783 HydrophobicContact CE1-CD2 3.51Å; F772-L783 HydrophobicContact CE1-CG 3.92Å; F772-L783 HydrophobicContact CZ-CD2 3.87Å; F772-L783 HydrophobicContact CZ-CG 4.42Å; N780-L783 HydrophobicContact CB-CD1 3.87Å; N780-L783 VanDerWaalsContact O-CB 3.3Å; N780-L783 WeakPolarHBondContact O-CB 3.45Å; N780-L783 WeakPolarHBondContact O-CD1 3.25Å; N780-L783 VanDerWaalsContact O-CG 3.28Å; N780-L783 WeakPolarHBondContact O-CG 3.3Å; N780-L783 PolarHBondContact O-N 3.08Å; N780-L783 VanDerWaalsContact O-N 3.1Å; L783-G785 VanDerWaalsContact C-N 3.29Å; L783-G785 PolarHBondContact O-N 2.87Å; L783-F786 PolarHBondContact O-N 2.86Å; L783-I787 HydrophobicContact CB-CD1 4.32Å; L783-I787 WeakPolarHBondContact O-CB 3.24Å; L783-I787 WeakPolarHBondContact O-CG1 3.4Å; L783-I787 PolarHBondContact O-N 3.49Å; L783-I824 HydrophobicContact CD2-CB 3.91Å; L783-I824 HydrophobicContact CD2-CD1 4.25Å; L783-I824 HydrophobicContact CD2-CG2 3.54Å; L783-L827 HydrophobicContact CD1-CD1 3.83Å; L783-L827 HydrophobicContact CD2-CD1 3.99Å; L783-I836 HydrophobicContact CD1-CD1 4.46Å; L783-F850 HydrophobicContact CD1-CD1 4.3Å; L783-F850 HydrophobicContact CD1-CE1 3.5Å; L783-F850 VanDerWaalsContact CD1-CE1 3.5Å; L783-F850 HydrophobicContact CD1-CZ 4.22Å; L783-L853 HydrophobicContact CD1-CD1 4.39Å |
| 784 | P | 88.2 | Confident | 90.4 | Very high | 50 Ų | 50 | 23.7 Ų | 23.7 | 33% | 0.325 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -59.5 | -38.7 | 179.6 | -25 | 36 | 0 | 0 | 0 | 113.3 | V781 L782 A788 I836 | V781-P784 WeakPolarHBondContact O-CD 3.46Å; L782-P784 VanDerWaalsContact C-CD 3.46Å; P784-A788 WeakPolarHBondContact O-CB 3.2Å; P784-A788 PolarHBondContact O-N 3.25Å; P784-I836 HydrophobicContact CG-CG2 4.21Å |
| 785 | G | 88.6 | Confident | 90.1 | Very high | 22 Ų | 22 | 25 Ų | 25 | 23% | 0.227 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -72.1 | -45 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L782 L783 A788 A789 | L782-G785 PolarHBondContact O-N 3.35Å; L782-G785 VanDerWaalsContact O-N 3.14Å; L783-G785 VanDerWaalsContact C-N 3.29Å; L783-G785 PolarHBondContact O-N 2.87Å; G785-A788 PolarHBondContact O-N 2.87Å; G785-A789 WeakPolarHBondContact O-CB 3.26Å; G785-A789 PolarHBondContact O-N 2.94Å |
| 786 | F | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 176 | -88.3 | -79.9 | 0 | 0 | 0 | 112.5 | L745 L749 I764 L765 S768 L771 F772 L782 L783 A788 A789 L790 I820 | L745-F786 HydrophobicContact CD1-CE2 4.32Å; L745-F786 HydrophobicContact CD1-CZ 4.43Å; L749-F786 HydrophobicContact CD1-CD2 3.64Å; L749-F786 HydrophobicContact CD1-CE2 3.68Å; L749-F786 HydrophobicContact CD1-CG 4.19Å; L749-F786 HydrophobicContact CD1-CZ 4.23Å; I764-F786 HydrophobicContact CG2-CE1 3.72Å; I764-F786 HydrophobicContact CG2-CZ 3.76Å; L765-F786 HydrophobicContact CD2-CD1 4.12Å; L765-F786 HydrophobicContact CD2-CE1 4.39Å; S768-F786 WeakPolarHBondContact OG-CE1 3.35Å; L771-F786 HydrophobicContact CD2-CE2 4.12Å; L771-F786 HydrophobicContact CD2-CZ 3.85Å; F772-F786 HydrophobicContact CE2-CB 4.22Å; F772-F786 HydrophobicContact CE2-CD1 4.08Å; F772-F786 AromaticContact CE2-CD2 3.64Å; F772-F786 HydrophobicContact CE2-CD2 3.64Å; F772-F786 HydrophobicContact CE2-CE1 4.34Å; F772-F786 AromaticContact CE2-CE2 3.92Å; F772-F786 HydrophobicContact CE2-CE2 3.92Å; F772-F786 AromaticContact CE2-CG 3.71Å; F772-F786 HydrophobicContact CE2-CG 3.71Å; F772-F786 HydrophobicContact CE2-CZ 4.26Å; F772-F786 HydrophobicContact CZ-CB 4.25Å; F772-F786 AromaticContact CZ-CD2 3.51Å; F772-F786 HydrophobicContact CZ-CD2 3.51Å; F772-F786 AromaticContact CZ-CE2 3.97Å; F772-F786 HydrophobicContact CZ-CE2 3.97Å; F772-F786 AromaticContact CZ-CG 3.92Å; F772-F786 HydrophobicContact CZ-CG 3.92Å; L782-F786 HydrophobicContact CB-CD2 3.89Å; L782-F786 HydrophobicContact CB-CE2 4.06Å; L782-F786 HydrophobicContact CD1-CE2 4.22Å; L782-F786 PolarHBondContact O-N 3.24Å; L782-F786 VanDerWaalsContact O-N 3.1Å; L783-F786 PolarHBondContact O-N 2.86Å; F786-A788 PolarHBondContact O-N 2.97Å; F786-A789 WeakPolarHBondContact O-CB 3.4Å; F786-A789 PolarHBondContact O-N 2.95Å; F786-L790 WeakPolarHBondContact O-CG 3.42Å; F786-L790 PolarHBondContact O-N 2.72Å; F786-I820 HydrophobicContact CD1-CD1 4.31Å; F786-I820 HydrophobicContact CD1-CG2 4.13Å; F786-I820 HydrophobicContact CE1-CD1 4.13Å |
| 787 | I | 92.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65 | -42.3 | -179.7 | -69 | 173.2 | 0 | 0 | 0 | 110.7 | L783 A789 L790 E791 I824 L853 L857 I860 | L783-I787 HydrophobicContact CB-CD1 4.32Å; L783-I787 WeakPolarHBondContact O-CB 3.24Å; L783-I787 WeakPolarHBondContact O-CG1 3.4Å; L783-I787 PolarHBondContact O-N 3.49Å; I787-A789 VanDerWaalsContact C-N 3.29Å; I787-A789 PolarHBondContact O-N 2.79Å; I787-L790 PolarHBondContact O-N 2.73Å; I787-E791 WeakPolarHBondContact O-CG 3.35Å; I787-E791 PolarHBondContact O-N 3.31Å; I787-I824 HydrophobicContact CD1-CD1 4.16Å; I787-I824 HydrophobicContact CG1-CD1 3.66Å; I787-L853 HydrophobicContact CD1-CD1 3.7Å; I787-L853 HydrophobicContact CD1-CD2 3.6Å; I787-L853 HydrophobicContact CD1-CG 4.16Å; I787-L857 HydrophobicContact CD1-CD2 3.74Å; I787-L857 HydrophobicContact CD1-CG 4.31Å; I787-L857 HydrophobicContact CG1-CD2 3.81Å; I787-L857 HydrophobicContact CG2-CD2 4.36Å; I787-I860 HydrophobicContact CG2-CD1 3.78Å |
| 788 | A | 90 | Very high | 88.1 | Confident | 19 Ų | 19 | 31.8 Ų | 31.8 | 16% | 0.157 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66 | -31.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I751 P784 G785 F786 E791 I792 | I751-A788 HydrophobicContact CD1-CB 3.37Å; I751-A788 WeakPolarHBondContact CD1-O 3.23Å; P784-A788 WeakPolarHBondContact O-CB 3.2Å; P784-A788 PolarHBondContact O-N 3.25Å; G785-A788 PolarHBondContact O-N 2.87Å; F786-A788 PolarHBondContact O-N 2.97Å; A788-E791 PolarHBondContact O-N 2.97Å; A788-I792 PolarHBondContact O-N 2.59Å |
| 789 | A | 92 | Very high | 87.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.7 | -40.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L749 L761 L765 G785 F786 I787 E791 I792 V793 | L749-A789 HydrophobicContact CD2-CB 4.29Å; L761-A789 HydrophobicContact CD1-CB 3.57Å; L761-A789 HydrophobicContact CD2-CB 4.42Å; L761-A789 HydrophobicContact CG-CB 4.21Å; L765-A789 HydrophobicContact CD1-CB 4.12Å; L765-A789 HydrophobicContact CD2-CB 4.22Å; L765-A789 HydrophobicContact CG-CB 4.45Å; G785-A789 WeakPolarHBondContact O-CB 3.26Å; G785-A789 PolarHBondContact O-N 2.94Å; F786-A789 WeakPolarHBondContact O-CB 3.4Å; F786-A789 PolarHBondContact O-N 2.95Å; I787-A789 VanDerWaalsContact C-N 3.29Å; I787-A789 PolarHBondContact O-N 2.79Å; A789-E791 VanDerWaalsContact C-N 3.33Å; A789-I792 PolarHBondContact O-N 3.22Å; A789-V793 PolarHBondContact O-N 2.88Å; A789-V793 VanDerWaalsContact O-N 3.15Å |
| 790 | L | 93.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.1 | -34.6 | 174.9 | -64.7 | 175.1 | 0 | 0 | 0 | 112.1 | L765 F786 I787 I792 V793 L794 P795 A817 I820 L821 I824 I860 | L765-L790 HydrophobicContact CD2-CD2 4.15Å; F786-L790 WeakPolarHBondContact O-CG 3.42Å; F786-L790 PolarHBondContact O-N 2.72Å; I787-L790 PolarHBondContact O-N 2.73Å; L790-I792 PolarHBondContact O-N 3.08Å; L790-V793 PolarHBondContact O-N 3.16Å; L790-L794 HydrophobicContact CB-CD1 4.42Å; L790-L794 HydrophobicContact CD2-CD1 4.08Å; L790-L794 PolarHBondContact O-N 3.17Å; L790-L794 VanDerWaalsContact O-N 3.12Å; L790-P795 WeakPolarHBondContact O-CD 3.46Å; L790-A817 HydrophobicContact CD2-CB 3.58Å; L790-A817 VanDerWaalsContact CD2-O 3.26Å; L790-A817 WeakPolarHBondContact CD2-O 3.37Å; L790-I820 HydrophobicContact CD1-CG2 4.25Å; L790-L821 HydrophobicContact CD1-CB 4.1Å; L790-L821 HydrophobicContact CD1-CD1 4.32Å; L790-I824 HydrophobicContact CD1-CD1 3.99Å; L790-I860 HydrophobicContact CB-CD1 4.49Å; L790-I860 HydrophobicContact CB-CG2 4.21Å |
| 791 | E | 91.8 | Very high | 86 | Confident | 74 Ų | 74 | 36.7 Ų | 36.7 | 35% | 0.346 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.7 | -19.7 | 173.7 | -73.3 | 167.3 | 171.7 | 0 | 0 | 113.4 | I787 A788 A789 P795 R856 I860 | I787-E791 WeakPolarHBondContact O-CG 3.35Å; I787-E791 PolarHBondContact O-N 3.31Å; A788-E791 PolarHBondContact O-N 2.97Å; A789-E791 VanDerWaalsContact C-N 3.33Å; E791-P795 WeakPolarHBondContact O-CD 3.41Å; E791-P795 WeakPolarHBondContact O-CG 3.41Å; E791-R856 IonicContact OE1-CZ 2.82Å; E791-R856 VanDerWaalsContact OE1-CZ 3.25Å; E791-R856 IonicContact OE1-NE 2.66Å; E791-R856 PolarHBondContact OE1-NE 2.89Å; E791-R856 IonicContact OE1-NH2 2.87Å; E791-R856 PolarHBondContact OE1-NH2 2.91Å; E791-R856 IonicContact OE2-CZ 2.8Å; E791-R856 IonicContact OE2-NH2 3.01Å; E791-R856 PolarHBondContact OE2-NH2 3.32Å; E791-I860 HydrophobicContact CG-CD1 3.55Å; E791-I860 HydrophobicContact CG-CG1 3.61Å |
| 792 | I | 89.1 | Confident | 84.9 | Confident | 22 Ų | 22 | 40 Ų | 40 | 11% | 0.113 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -88.6 | -50.7 | 170.8 | -64.3 | 172.2 | 0 | 0 | 0 | 111.2 | I751 R755 C757 L761 A788 A789 L790 L799 | I751-I792 HydrophobicContact CB-CD1 4.43Å; I751-I792 HydrophobicContact CD1-CD1 3.78Å; I751-I792 HydrophobicContact CG1-CD1 3.78Å; I751-I792 HydrophobicContact CG2-CD1 3.82Å; R755-I792 WeakPolarHBondContact O-CG2 3.28Å; C757-I792 HydrophobicContact CB-CG2 4.21Å; L761-I792 HydrophobicContact CD2-CD1 4.28Å; A788-I792 PolarHBondContact O-N 2.59Å; A789-I792 PolarHBondContact O-N 3.22Å; L790-I792 PolarHBondContact O-N 3.08Å; I792-L799 HydrophobicContact CG2-CD1 4.49Å |
| 793 | V | 90.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -79.3 | -30.8 | -164.4 | 169.9 | 0 | 0 | 0 | 0 | 114.4 | C757 L765 A789 L790 L799 L813 R814 A817 | C757-V793 HydrophobicContact CB-CG2 4.49Å; L765-V793 HydrophobicContact CD1-CB 4.16Å; L765-V793 HydrophobicContact CD1-CG1 4.49Å; L765-V793 HydrophobicContact CD1-CG2 3.62Å; A789-V793 PolarHBondContact O-N 2.88Å; A789-V793 VanDerWaalsContact O-N 3.15Å; L790-V793 PolarHBondContact O-N 3.16Å; V793-L799 HydrophobicContact CG1-CD2 4.19Å; V793-L799 HydrophobicContact CG2-CD1 4.39Å; V793-L799 HydrophobicContact CG2-CD2 4.48Å; V793-L813 HydrophobicContact CG1-CG 4.17Å; V793-R814 HydrophobicContact CG1-CG 4.45Å; V793-R814 PolarHBondContact O-NH1 2.95Å; V793-R814 VanDerWaalsContact O-NH1 3.1Å; V793-A817 HydrophobicContact CG1-CB 4.09Å |
| 794 | L | 91.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -39.6 | -173.5 | -62.3 | -179.4 | 0 | 0 | 0 | 115.3 | L790 R814 A817 I818 L821 I860 A864 V867 | L790-L794 HydrophobicContact CB-CD1 4.42Å; L790-L794 HydrophobicContact CD2-CD1 4.08Å; L790-L794 PolarHBondContact O-N 3.17Å; L790-L794 VanDerWaalsContact O-N 3.12Å; L794-R814 HydrophobicContact CD2-CB 4.42Å; L794-R814 PolarHBondContact O-NH1 3.13Å; L794-R814 PolarHBondContact O-NH2 3.02Å; L794-A817 HydrophobicContact CD1-CB 4.45Å; L794-A817 HydrophobicContact CD2-CB 3.78Å; L794-A817 HydrophobicContact CG-CB 4.16Å; L794-I818 HydrophobicContact CD1-CG1 4.39Å; L794-I818 HydrophobicContact CD2-CD1 4.49Å; L794-I818 HydrophobicContact CD2-CG1 3.84Å; L794-L821 HydrophobicContact CD1-CD2 3.92Å; L794-I860 HydrophobicContact CB-CG2 4.37Å; L794-I860 HydrophobicContact CD1-CG2 3.9Å; L794-A864 HydrophobicContact CB-CB 3.9Å; L794-V867 VanDerWaalsContact O-CG2 3.26Å; L794-V867 WeakPolarHBondContact O-CG2 3.34Å |
| 795 | P | 84.6 | Confident | 81.3 | Confident | 40 Ų | 40 | 51.7 Ų | 51.7 | 26% | 0.26 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -26.9 | -177.9 | -21.3 | 36 | 0 | 0 | 0 | 115.3 | L790 E791 N863 | L790-P795 WeakPolarHBondContact O-CD 3.46Å; E791-P795 WeakPolarHBondContact O-CD 3.41Å; E791-P795 WeakPolarHBondContact O-CG 3.41Å; P795-N863 HydrophobicContact CB-CB 4.09Å; P795-N863 HydrophobicContact CG-CB 4.37Å |
| 796 | D | 77.7 | Confident | 80.5 | Confident | 67 Ų | 67 | 51.8 Ų | 51.8 | 36% | 0.358 | 26% | 0.261 | S | S | . | . | trans | -80.3 | 138.5 | 176.2 | -166.5 | -6.9 | 0 | 0 | 0 | 110.6 | D798 R814 | D796-D798 PolarHBondContact OD1-N 3.28Å; D796-R814 PolarHBondContact O-NH1 3.44Å | ||
| 797 | K | 73.2 | Confident | 79.7 | Confident | 139 Ų | 139 | 58.7 Ų | 58.7 | 60% | 0.604 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -84.4 | -33.9 | 176.1 | -171.1 | -175.9 | 176.5 | -170.7 | 0 | 111.9 | V867 | K797-V867 HydrophobicContact CB-CB 4.21Š|
| 798 | D | 73.6 | Confident | 79.1 | Confident | 107 Ų | 107 | 60 Ų | 60 | 57% | 0.572 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -114.6 | 47.4 | -171.4 | -78 | -58.4 | 0 | 0 | 0 | 111.7 | D796 K800 | D796-D798 PolarHBondContact OD1-N 3.28Å; D798-K800 PolarHBondContact O-N 3.3Å; D798-K800 VanDerWaalsContact O-N 3.13Å |
| 799 | L | 75.7 | Confident | 78.9 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | trans | -39.7 | 112.6 | -174.5 | -177.3 | 64.2 | 0 | 0 | 0 | 113.9 | C757 I792 V793 R810 L813 | C757-L799 HydrophobicContact CB-CD1 3.95Å; I792-L799 HydrophobicContact CG2-CD1 4.49Å; V793-L799 HydrophobicContact CG1-CD2 4.19Å; V793-L799 HydrophobicContact CG2-CD1 4.39Å; V793-L799 HydrophobicContact CG2-CD2 4.48Å; L799-R810 PolarHBondContact O-NH2 3.27Å; L799-L813 HydrophobicContact CD2-CD2 3.91Å | ||
| 800 | K | 73.2 | Confident | 78.6 | Confident | 141 Ų | 141 | 69.2 Ų | 69.2 | 61% | 0.613 | 35% | 0.346 | S | S | * | . | trans | -83.1 | 115 | 177.8 | -62.9 | 171.2 | -171 | 163.9 | 0 | 109.8 | C757 D798 | C757-K800 PolarHBondContact N-O 2.93Å; D798-K800 PolarHBondContact O-N 3.3Å; D798-K800 VanDerWaalsContact O-N 3.13Å | ||
| 801 | L | 74.8 | Confident | 78.4 | Confident | 49 Ų | 49 | 71.5 Ų | 71.5 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -100.6 | 134.4 | 172 | -70.3 | 164.9 | 0 | 0 | 0 | 108.6 | C757 A762 F808 L813 | C757-L801 HydrophobicContact CB-CD2 4.09Å; A762-L801 HydrophobicContact CB-CD2 4.15Å; L801-F808 HydrophobicContact CD1-CB 4.27Å; L801-F808 HydrophobicContact CD1-CD2 4.42Å; L801-L813 HydrophobicContact CD2-CD2 4.49Å |
| 802 | K | 67 | Low | 78.4 | Confident | 98 Ų | 98 | 70.4 Ų | 70.4 | 43% | 0.426 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -80 | -24.1 | -162.5 | -160.4 | 163.5 | -175 | 144.8 | 0 | 115.3 | S754 E756 C757 | S754-K802 PolarHBondContact OG-NZ 2.98Å; E756-K802 HydrophobicContact CB-CD 4.46Å; E756-K802 WeakPolarHBondContact OE2-CE 3.17Å; E756-K802 IonicContact OE2-NZ 2.95Å; E756-K802 PolarHBondContact OE2-NZ 3.31Å; C757-K802 PolarHBondContact O-N 2.61Å |
| 803 | T | 64 | Low | 78.5 | Confident | 56 Ų | 56 | 69.3 Ų | 69.3 | 34% | 0.344 | 35% | 0.35 | S | S | . | . | trans | -139.6 | 162.5 | -173.9 | -58.8 | 0 | 0 | 0 | 0 | 110.5 | E759 | E759-T803 WeakPolarHBondContact OE1-CB 3.35Å; E759-T803 WeakPolarHBondContact OE1-CG2 3.48Å | ||
| 804 | Q | 61.2 | Low | 78.7 | Confident | 186 Ų | 186 | 70.3 Ų | 70.3 | 87% | 0.869 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -115.9 | 9.2 | -172.9 | -65.2 | -176.8 | -15.9 | 0 | 0 | 113.9 | ||
| 805 | S | 69.2 | Low | 78.8 | Confident | 58 Ų | 58 | 71.4 Ų | 71.4 | 41% | 0.406 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -85.4 | -21.8 | -174 | -72.1 | 0 | 0 | 0 | 0 | 112.5 | S711 E759 | S711-S805 VanDerWaalsContact OG-CB 3.23Å; S711-S805 WeakPolarHBondContact OG-CB 3.29Å; E759-S805 PolarHBondContact OE1-N 3.26Å |
| 806 | M | 72.2 | Confident | 79.3 | Confident | 24 Ų | 24 | 70 Ų | 70 | 12% | 0.118 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -112.4 | 131.8 | 162.8 | -60.6 | -168.1 | 76.5 | 0 | 0 | 110.5 | A714 E715 E759 F808 | A714-M806 HydrophobicContact CB-SD 3.66Å; E715-M806 HydrophobicContact CB-CE 4.32Å; E715-M806 WeakPolarHBondContact OE2-CE 3.46Å; E759-M806 PolarHBondContact OE1-N 3.11Å; E759-M806 VanDerWaalsContact OE1-N 3.08Å; M806-F808 HydrophobicContact CB-CD2 4.26Å; M806-F808 HydrophobicContact CB-CE1 4.4Å; M806-F808 HydrophobicContact CB-CE2 3.52Å; M806-F808 HydrophobicContact CB-CZ 3.61Å; M806-F808 HydrophobicContact CE-CZ 4.43Å; M806-F808 HydrophobicContact CG-CZ 4.4Å; M806-F808 HydrophobicContact SD-CZ 4.04Å |
| 807 | V | 76.1 | Confident | 80.1 | Confident | 145 Ų | 145 | 66.8 Ų | 66.8 | 88% | 0.879 | 33% | 0.331 | S | S | * | . | trans | -97.9 | 100.7 | -179.8 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 808 | F | 80.3 | Confident | 81.2 | Confident | 28 Ų | 28 | 60.1 Ų | 60.1 | 12% | 0.123 | 30% | 0.302 | C | S | . | . | trans | -92.5 | 130.5 | 178.8 | -59.2 | -79.3 | 0 | 0 | 0 | 111.8 | E759 A762 L766 L801 M806 R810 | E759-F808 HydrophobicContact CB-CE2 4.09Å; E759-F808 HydrophobicContact CB-CZ 4.25Å; E759-F808 HydrophobicContact CG-CE2 4.07Å; A762-F808 HydrophobicContact CB-CD1 4.18Å; A762-F808 HydrophobicContact CB-CD2 4.17Å; A762-F808 HydrophobicContact CB-CE1 4Å; A762-F808 HydrophobicContact CB-CE2 3.99Å; A762-F808 HydrophobicContact CB-CG 4.26Å; A762-F808 HydrophobicContact CB-CZ 3.9Å; L766-F808 HydrophobicContact CD2-CD1 4.17Å; L801-F808 HydrophobicContact CD1-CB 4.27Å; L801-F808 HydrophobicContact CD1-CD2 4.42Å; M806-F808 HydrophobicContact CB-CD2 4.26Å; M806-F808 HydrophobicContact CB-CE1 4.4Å; M806-F808 HydrophobicContact CB-CE2 3.52Å; M806-F808 HydrophobicContact CB-CZ 3.61Å; M806-F808 HydrophobicContact CE-CZ 4.43Å; M806-F808 HydrophobicContact CG-CZ 4.4Å; M806-F808 HydrophobicContact SD-CZ 4.04Å; F808-R810 PolarHBondContact O-N 2.95Å | ||
| 809 | N | 86.1 | Confident | 82.2 | Confident | 91 Ų | 91 | 56.2 Ų | 56.2 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | trans | -72.9 | 110.7 | 166.3 | 179.8 | -5.3 | 0 | 0 | 0 | 109.2 | T811 E812 L813 | N809-T811 VanDerWaalsContact C-N 3.29Å; N809-T811 PolarHBondContact O-N 3.11Å; N809-T811 PolarHBondContact OD1-N 2.94Å; N809-T811 VanDerWaalsContact OD1-N 3.08Å; N809-E812 HydrophobicContact CB-CB 3.96Å; N809-E812 PolarHBondContact O-N 3.2Å; N809-E812 VanDerWaalsContact O-N 3.16Å; N809-L813 PolarHBondContact O-N 3.43Å | ||
| 810 | R | 85.9 | Confident | 83.2 | Confident | 121 Ų | 121 | 55.8 Ų | 55.8 | 46% | 0.457 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.3 | -39.4 | -179.1 | -69.4 | -179.2 | 173.5 | -178.8 | -6 | 113.1 | L799 F808 E812 R814 | L799-R810 PolarHBondContact O-NH2 3.27Å; F808-R810 PolarHBondContact O-N 2.95Å; R810-E812 VanDerWaalsContact C-N 3.35Å; R810-R814 WeakPolarHBondContact O-CG 3.49Å; R810-R814 PolarHBondContact O-N 3.05Å |
| 811 | T | 90 | Very high | 84.3 | Confident | 48 Ų | 48 | 49.1 Ų | 49.1 | 29% | 0.294 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.8 | -37.8 | -179.7 | -53.6 | 0 | 0 | 0 | 0 | 111.4 | N809 R815 D870 N873 | N809-T811 VanDerWaalsContact C-N 3.29Å; N809-T811 PolarHBondContact O-N 3.11Å; N809-T811 PolarHBondContact OD1-N 2.94Å; N809-T811 VanDerWaalsContact OD1-N 3.08Å; T811-R815 WeakPolarHBondContact O-CB 3.27Å; T811-R815 PolarHBondContact O-N 3.48Å; T811-D870 HydrophobicContact CG2-CB 3.66Å; T811-N873 PolarHBondContact O-ND2 3.37Å |
| 812 | E | 89.9 | Confident | 85.2 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 23% | 0.234 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -73 | -41.3 | 177.8 | -149.3 | 62.7 | -113 | 0 | 0 | 111.8 | L766 N809 R810 R814 R815 S816 | L766-E812 HydrophobicContact CD1-CB 4.19Å; L766-E812 HydrophobicContact CD1-CG 4.11Å; N809-E812 HydrophobicContact CB-CB 3.96Å; N809-E812 PolarHBondContact O-N 3.2Å; N809-E812 VanDerWaalsContact O-N 3.16Å; R810-E812 VanDerWaalsContact C-N 3.35Å; E812-R814 VanDerWaalsContact C-N 3.31Å; E812-R814 PolarHBondContact O-N 3.36Å; E812-R815 WeakPolarHBondContact O-CB 3.46Å; E812-R815 PolarHBondContact O-N 3Å; E812-R815 VanDerWaalsContact O-N 3.08Å; E812-R815 WeakPolarHBondContact OE1-CD 3.26Å; E812-R815 IonicContact OE1-CZ 2.75Å; E812-R815 IonicContact OE1-NE 2.76Å; E812-R815 IonicContact OE1-NH1 3.69Å; E812-R815 PolarHBondContact OE1-NH1 3.33Å; E812-R815 IonicContact OE2-CZ 2.84Å; E812-R815 IonicContact OE2-NH1 2.72Å; E812-R815 PolarHBondContact OE2-NH1 2.54Å; E812-S816 PolarHBondContact O-N 3.22Å; E812-S816 PolarHBondContact O-OG 3Å |
| 813 | L | 92.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.2 | -44 | 173 | 176.8 | 59.8 | 0 | 0 | 0 | 111.4 | A762 L765 L766 V793 L799 L801 N809 A817 | A762-L813 HydrophobicContact CB-CD1 4.36Å; A762-L813 HydrophobicContact CB-CD2 4.03Å; A762-L813 WeakPolarHBondContact O-CD1 3.48Å; L765-L813 HydrophobicContact CB-CD1 3.77Å; L766-L813 HydrophobicContact CB-CD1 4.36Å; V793-L813 HydrophobicContact CG1-CG 4.17Å; L799-L813 HydrophobicContact CD2-CD2 3.91Å; L801-L813 HydrophobicContact CD2-CD2 4.49Å; N809-L813 PolarHBondContact O-N 3.43Å; L813-A817 VanDerWaalsContact O-CB 3.29Å; L813-A817 WeakPolarHBondContact O-CB 3.3Å; L813-A817 PolarHBondContact O-N 3.24Å |
| 814 | R | 93.2 | Very high | 87.9 | Confident | 21 Ų | 21 | 39.6 Ų | 39.6 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.1 | -40.4 | 172.9 | -71.6 | 179.8 | 68.9 | 90.4 | 5.6 | 111.6 | V793 L794 D796 R810 E812 A817 I818 E868 | V793-R814 HydrophobicContact CG1-CG 4.45Å; V793-R814 PolarHBondContact O-NH1 2.95Å; V793-R814 VanDerWaalsContact O-NH1 3.1Å; L794-R814 HydrophobicContact CD2-CB 4.42Å; L794-R814 PolarHBondContact O-NH1 3.13Å; L794-R814 PolarHBondContact O-NH2 3.02Å; D796-R814 PolarHBondContact O-NH1 3.44Å; R810-R814 WeakPolarHBondContact O-CG 3.49Å; R810-R814 PolarHBondContact O-N 3.05Å; E812-R814 VanDerWaalsContact C-N 3.31Å; E812-R814 PolarHBondContact O-N 3.36Å; R814-A817 PolarHBondContact O-N 2.88Å; R814-I818 WeakPolarHBondContact O-CD1 3.47Å; R814-I818 WeakPolarHBondContact O-CG1 3.27Å; R814-I818 PolarHBondContact O-N 3.34Å; R814-E868 IonicContact CZ-OE2 3.01Å; R814-E868 IonicContact NE-OE1 2.74Å; R814-E868 IonicContact NE-OE2 3.86Å; R814-E868 PolarHBondContact NE-OE2 2.98Å; R814-E868 IonicContact NH2-OE2 2.73Å; R814-E868 PolarHBondContact NH2-OE2 2.87Å |
| 815 | R | 93.8 | Very high | 89.4 | Confident | 22 Ų | 22 | 31.1 Ų | 31.1 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 176.9 | -163.9 | 174 | -60.5 | 135.3 | -2.7 | 113.1 | T811 E812 I818 N819 D870 N873 M876 | T811-R815 WeakPolarHBondContact O-CB 3.27Å; T811-R815 PolarHBondContact O-N 3.48Å; E812-R815 WeakPolarHBondContact O-CB 3.46Å; E812-R815 PolarHBondContact O-N 3Å; E812-R815 VanDerWaalsContact O-N 3.08Å; E812-R815 WeakPolarHBondContact OE1-CD 3.26Å; E812-R815 IonicContact OE1-CZ 2.75Å; E812-R815 IonicContact OE1-NE 2.76Å; E812-R815 IonicContact OE1-NH1 3.69Å; E812-R815 PolarHBondContact OE1-NH1 3.33Å; E812-R815 IonicContact OE2-CZ 2.84Å; E812-R815 IonicContact OE2-NH1 2.72Å; E812-R815 PolarHBondContact OE2-NH1 2.54Å; R815-I818 PolarHBondContact O-N 3.03Å; R815-N819 WeakPolarHBondContact O-CB 3.35Å; R815-N819 PolarHBondContact O-N 3.41Å; R815-N819 PolarHBondContact O-ND2 2.96Å; R815-D870 IonicContact NH2-OD2 3.8Å; R815-D870 PolarHBondContact NH2-OD2 3.08Å; R815-N873 VanDerWaalsContact CB-OD1 3.3Å; R815-N873 WeakPolarHBondContact CB-OD1 3.3Å; R815-N873 WeakPolarHBondContact CG-OD1 3.21Å; R815-N873 PolarHBondContact NE-OD1 2.86Å; R815-M876 HydrophobicContact CG-CE 4.09Å; R815-M876 HydrophobicContact CG-SD 3.75Å |
| 816 | S | 95 | Very high | 90.6 | Very high | 10 Ų | 10 | 28.5 Ų | 28.5 | 7% | 0.07 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | 175.3 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | L765 L766 E812 N819 I820 | L765-S816 WeakPolarHBondContact O-CB 3.37Å; L766-S816 PolarHBondContact O-OG 3.09Å; E812-S816 PolarHBondContact O-N 3.22Å; E812-S816 PolarHBondContact O-OG 3Å; S816-N819 WeakPolarHBondContact O-CB 3.46Å; S816-N819 PolarHBondContact O-N 3.3Å; S816-I820 WeakPolarHBondContact O-CG1 3.33Å; S816-I820 PolarHBondContact O-N 3.47Å |
| 817 | A | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.9 | -41 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L790 V793 L794 L813 R814 I820 L821 | L790-A817 HydrophobicContact CD2-CB 3.58Å; L790-A817 VanDerWaalsContact CD2-O 3.26Å; L790-A817 WeakPolarHBondContact CD2-O 3.37Å; V793-A817 HydrophobicContact CG1-CB 4.09Å; L794-A817 HydrophobicContact CD1-CB 4.45Å; L794-A817 HydrophobicContact CD2-CB 3.78Å; L794-A817 HydrophobicContact CG-CB 4.16Å; L813-A817 VanDerWaalsContact O-CB 3.29Å; L813-A817 WeakPolarHBondContact O-CB 3.3Å; L813-A817 PolarHBondContact O-N 3.24Å; R814-A817 PolarHBondContact O-N 2.88Å; A817-I820 PolarHBondContact O-N 2.84Å; A817-L821 PolarHBondContact O-N 2.84Å |
| 818 | I | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65 | -41.2 | 172.7 | -65.8 | 160.6 | 0 | 0 | 0 | 110.5 | L794 R814 R815 I820 L821 L822 N873 M876 L877 | L794-I818 HydrophobicContact CD1-CG1 4.39Å; L794-I818 HydrophobicContact CD2-CD1 4.49Å; L794-I818 HydrophobicContact CD2-CG1 3.84Å; R814-I818 WeakPolarHBondContact O-CD1 3.47Å; R814-I818 WeakPolarHBondContact O-CG1 3.27Å; R814-I818 PolarHBondContact O-N 3.34Å; R815-I818 PolarHBondContact O-N 3.03Å; I818-I820 VanDerWaalsContact C-N 3.32Å; I818-I820 PolarHBondContact O-N 3.35Å; I818-L821 WeakPolarHBondContact O-CB 3.37Å; I818-L821 PolarHBondContact O-N 3.17Å; I818-L822 HydrophobicContact CG2-CD1 4.02Å; I818-L822 HydrophobicContact CG2-CG 4.16Å; I818-L822 WeakPolarHBondContact O-CB 3.34Å; I818-L822 VanDerWaalsContact O-CG 3.3Å; I818-L822 WeakPolarHBondContact O-CG 3.4Å; I818-L822 PolarHBondContact O-N 3.02Å; I818-N873 HydrophobicContact CD1-CB 3.65Å; I818-M876 HydrophobicContact CG2-CB 3.84Å; I818-M876 HydrophobicContact CG2-CE 4.09Å; I818-L877 HydrophobicContact CD1-CD1 3.94Å; I818-L877 HydrophobicContact CD1-CD2 4.31Å; I818-L877 HydrophobicContact CD1-CG 3.95Å; I818-L877 HydrophobicContact CG1-CD1 4.49Å; I818-L877 HydrophobicContact CG1-CD2 3.99Å; I818-L877 HydrophobicContact CG1-CG 4.17Å; I818-L877 HydrophobicContact CG2-CD2 4.09Å; I818-L877 HydrophobicContact CG2-CG 4.19Å |
| 819 | N | 94.7 | Very high | 92.9 | Very high | 24 Ų | 24 | 19.8 Ų | 19.8 | 13% | 0.128 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.2 | -41.7 | 174.3 | -94.1 | -51.5 | 0 | 0 | 0 | 112.6 | R773 R815 S816 S823 | R773-N819 VanDerWaalsContact NH2-CB 3.34Å; R773-N819 PolarHBondContact NH2-O 3.18Å; R773-N819 PolarHBondContact NH2-OD1 3.49Å; R815-N819 WeakPolarHBondContact O-CB 3.35Å; R815-N819 PolarHBondContact O-N 3.41Å; R815-N819 PolarHBondContact O-ND2 2.96Å; S816-N819 WeakPolarHBondContact O-CB 3.46Å; S816-N819 PolarHBondContact O-N 3.3Å; N819-S823 PolarHBondContact O-N 3.17Å; N819-S823 PolarHBondContact O-OG 2.76Å |
| 820 | I | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64 | -48.3 | 174 | -65.5 | 165.7 | 0 | 0 | 0 | 110 | L765 F772 F786 L790 S816 A817 I818 L822 S823 I824 | L765-I820 HydrophobicContact CD2-CD1 3.74Å; F772-I820 HydrophobicContact CD2-CG2 4.08Å; F772-I820 HydrophobicContact CE2-CG2 4.11Å; F786-I820 HydrophobicContact CD1-CD1 4.31Å; F786-I820 HydrophobicContact CD1-CG2 4.13Å; F786-I820 HydrophobicContact CE1-CD1 4.13Å; L790-I820 HydrophobicContact CD1-CG2 4.25Å; S816-I820 WeakPolarHBondContact O-CG1 3.33Å; S816-I820 PolarHBondContact O-N 3.47Å; A817-I820 PolarHBondContact O-N 2.84Å; I818-I820 VanDerWaalsContact C-N 3.32Å; I818-I820 PolarHBondContact O-N 3.35Å; I820-L822 PolarHBondContact O-N 3.47Å; I820-S823 WeakPolarHBondContact O-CA 3.45Å; I820-S823 VanDerWaalsContact O-CB 3.3Å; I820-S823 WeakPolarHBondContact O-CB 3.36Å; I820-S823 PolarHBondContact O-N 3.13Å; I820-I824 PolarHBondContact O-N 2.9Å |
| 821 | L | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -54.2 | -51.5 | 177 | -179.5 | 60.5 | 0 | 0 | 0 | 111.8 | L790 L794 A817 I818 S823 I824 M825 L857 I860 L861 L877 | L790-L821 HydrophobicContact CD1-CB 4.1Å; L790-L821 HydrophobicContact CD1-CD1 4.32Å; L794-L821 HydrophobicContact CD1-CD2 3.92Å; A817-L821 PolarHBondContact O-N 2.84Å; I818-L821 WeakPolarHBondContact O-CB 3.37Å; I818-L821 PolarHBondContact O-N 3.17Å; L821-S823 PolarHBondContact O-N 3.29Å; L821-S823 VanDerWaalsContact O-N 3.11Å; L821-I824 WeakPolarHBondContact O-CG1 3.23Å; L821-I824 PolarHBondContact O-N 3.19Å; L821-M825 HydrophobicContact CD1-CG 3.98Å; L821-M825 HydrophobicContact CD1-SD 4.21Å; L821-M825 HydrophobicContact CD2-SD 4.48Å; L821-M825 HydrophobicContact CG-CG 4.17Å; L821-M825 HydrophobicContact CG-SD 3.81Å; L821-M825 VanDerWaalsContact O-CG 3.22Å; L821-M825 WeakPolarHBondContact O-CG 3.14Å; L821-M825 PolarHBondContact O-N 2.7Å; L821-L857 HydrophobicContact CD1-CD2 3.9Å; L821-I860 HydrophobicContact CD1-CG2 4.3Å; L821-I860 HydrophobicContact CD2-CG2 4.05Å; L821-L861 HydrophobicContact CD2-CB 4.21Å; L821-L861 HydrophobicContact CD2-CD1 3.92Å; L821-L877 HydrophobicContact CD2-CD2 4.48Å |
| 822 | L | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.4 | -16.2 | 177.1 | -67.1 | 179.6 | 0 | 0 | 0 | 114.2 | I818 I820 M825 M876 V1660 M1663 | I818-L822 HydrophobicContact CG2-CD1 4.02Å; I818-L822 HydrophobicContact CG2-CG 4.16Å; I818-L822 WeakPolarHBondContact O-CB 3.34Å; I818-L822 VanDerWaalsContact O-CG 3.3Å; I818-L822 WeakPolarHBondContact O-CG 3.4Å; I818-L822 PolarHBondContact O-N 3.02Å; I820-L822 PolarHBondContact O-N 3.47Å; L822-M825 HydrophobicContact CD2-SD 4.05Å; L822-M876 HydrophobicContact CD1-CB 4.19Å; L822-M876 HydrophobicContact CD1-CE 4.3Å; L822-V1660 HydrophobicContact CD1-CB 4.03Å; L822-V1660 HydrophobicContact CD1-CG1 3.71Å; L822-V1660 HydrophobicContact CD1-CG2 4.22Å; L822-M1663 HydrophobicContact CB-CG 4.33Å; L822-M1663 HydrophobicContact CD2-SD 4.22Å |
| 823 | S | 93.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.014 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -86 | -30.6 | 174.7 | -49.8 | 0 | 0 | 0 | 0 | 112.4 | R773 N819 I820 L821 | R773-S823 WeakPolarHBondContact CG-OG 3.3Å; R773-S823 PolarHBondContact NE-OG 3.09Å; N819-S823 PolarHBondContact O-N 3.17Å; N819-S823 PolarHBondContact O-OG 2.76Å; I820-S823 WeakPolarHBondContact O-CA 3.45Å; I820-S823 VanDerWaalsContact O-CB 3.3Å; I820-S823 WeakPolarHBondContact O-CB 3.36Å; I820-S823 PolarHBondContact O-N 3.13Å; L821-S823 PolarHBondContact O-N 3.29Å; L821-S823 VanDerWaalsContact O-N 3.11Å |
| 824 | I | 94.8 | Very high | 93 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -101 | -11.9 | -173.3 | 67.8 | 178.2 | 0 | 0 | 0 | 113.7 | F772 L783 I787 L790 I820 L821 V826 L827 L857 | F772-I824 HydrophobicContact CB-CG2 4Å; F772-I824 HydrophobicContact CD1-CG2 3.9Å; F772-I824 HydrophobicContact CD2-CG2 3.81Å; F772-I824 HydrophobicContact CE1-CG2 4.34Å; F772-I824 HydrophobicContact CE2-CG2 4.25Å; F772-I824 HydrophobicContact CG-CG2 3.62Å; F772-I824 HydrophobicContact CZ-CG2 4.49Å; L783-I824 HydrophobicContact CD2-CB 3.91Å; L783-I824 HydrophobicContact CD2-CD1 4.25Å; L783-I824 HydrophobicContact CD2-CG2 3.54Å; I787-I824 HydrophobicContact CD1-CD1 4.16Å; I787-I824 HydrophobicContact CG1-CD1 3.66Å; L790-I824 HydrophobicContact CD1-CD1 3.99Å; I820-I824 PolarHBondContact O-N 2.9Å; L821-I824 WeakPolarHBondContact O-CG1 3.23Å; L821-I824 PolarHBondContact O-N 3.19Å; I824-V826 VanDerWaalsContact C-N 3.31Å; I824-V826 PolarHBondContact O-N 3.38Å; I824-L827 HydrophobicContact CB-CD1 3.96Å; I824-L827 HydrophobicContact CB-CG 4.47Å; I824-L827 HydrophobicContact CG2-CD1 4.09Å; I824-L827 WeakPolarHBondContact O-CB 3.39Å; I824-L827 WeakPolarHBondContact O-CG 3.35Å; I824-L827 PolarHBondContact O-N 2.93Å; I824-L857 HydrophobicContact CD1-CD2 3.69Å; I824-L857 HydrophobicContact CG1-CD1 4.35Å; I824-L857 HydrophobicContact CG1-CD2 3.96Å |
| 825 | M | 92.4 | Very high | 92.6 | Very high | 9 Ų | 9 | 23.5 Ų | 23.5 | 4% | 0.044 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -26 | -176.9 | -85.6 | 171 | 66.5 | 0 | 0 | 115.8 | L821 L822 P828 L861 G880 C884 | L821-M825 HydrophobicContact CD1-CG 3.98Å; L821-M825 HydrophobicContact CD1-SD 4.21Å; L821-M825 HydrophobicContact CD2-SD 4.48Å; L821-M825 HydrophobicContact CG-CG 4.17Å; L821-M825 HydrophobicContact CG-SD 3.81Å; L821-M825 VanDerWaalsContact O-CG 3.22Å; L821-M825 WeakPolarHBondContact O-CG 3.14Å; L821-M825 PolarHBondContact O-N 2.7Å; L822-M825 HydrophobicContact CD2-SD 4.05Å; M825-P828 WeakPolarHBondContact O-CD 3.33Å; M825-L861 HydrophobicContact CE-CD1 4.08Å; M825-L861 HydrophobicContact CE-CD2 3.55Å; M825-L861 HydrophobicContact CE-CG 4.36Å; M825-L861 HydrophobicContact SD-CD1 3.91Å; M825-L861 HydrophobicContact SD-CD2 4.37Å; M825-G880 WeakPolarHBondContact CE-O 3.25Å; M825-C884 HydrophobicContact CE-CB 3.61Å |
| 826 | V | 93.2 | Very high | 92 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -17.8 | 177.7 | -66.3 | 0 | 0 | 0 | 0 | 113.4 | I824 L829 H830 L883 L1641 V1664 | I824-V826 VanDerWaalsContact C-N 3.31Å; I824-V826 PolarHBondContact O-N 3.38Å; V826-L829 PolarHBondContact O-N 3.4Å; V826-H830 WeakPolarHBondContact O-CB 3.47Å; V826-H830 PolarHBondContact O-N 3.43Å; V826-H830 VanDerWaalsContact O-N 3.11Å; V826-L883 HydrophobicContact CG1-CD1 3.98Å; V826-L883 HydrophobicContact CG1-CD2 4.09Å; V826-L883 HydrophobicContact CG1-CG 4.31Å; V826-L1641 HydrophobicContact CB-CD2 4.47Å; V826-L1641 HydrophobicContact CG2-CD1 4.15Å; V826-L1641 HydrophobicContact CG2-CD2 3.82Å; V826-V1664 WeakPolarHBondContact CG1-O 3.43Å; V826-V1664 HydrophobicContact CG2-CB 4.48Å; V826-V1664 HydrophobicContact CG2-CG1 4.08Å |
| 827 | L | 93.6 | Very high | 91 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.2 | -37.3 | -175.6 | -51.9 | -175.5 | 0 | 0 | 0 | 114.7 | L783 I824 L829 H830 Y831 F850 L1641 | L783-L827 HydrophobicContact CD1-CD1 3.83Å; L783-L827 HydrophobicContact CD2-CD1 3.99Å; I824-L827 HydrophobicContact CB-CD1 3.96Å; I824-L827 HydrophobicContact CB-CG 4.47Å; I824-L827 HydrophobicContact CG2-CD1 4.09Å; I824-L827 WeakPolarHBondContact O-CB 3.39Å; I824-L827 WeakPolarHBondContact O-CG 3.35Å; I824-L827 PolarHBondContact O-N 2.93Å; L827-L829 VanDerWaalsContact C-N 3.33Å; L827-L829 PolarHBondContact O-N 3Å; L827-H830 PolarHBondContact O-N 2.84Å; L827-Y831 HydrophobicContact CB-CD2 4.24Å; L827-Y831 HydrophobicContact CD2-CD2 4.31Å; L827-Y831 HydrophobicContact CD2-CE2 3.92Å; L827-Y831 PolarHBondContact O-N 2.84Å; L827-F850 HydrophobicContact CB-CD1 3.98Å; L827-F850 HydrophobicContact CB-CE1 4.07Å; L827-F850 HydrophobicContact CD1-CE1 4.47Å; L827-L1641 HydrophobicContact CD2-CD1 3.48Å; L827-L1641 VanDerWaalsContact CD2-CD1 3.48Å |
| 828 | P | 92 | Very high | 89.5 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.019 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.4 | -40.3 | 179.1 | -22.7 | 32.8 | 0 | 0 | 0 | 113.6 | M825 Q832 F850 L853 K854 L857 | M825-P828 WeakPolarHBondContact O-CD 3.33Å; P828-Q832 VanDerWaalsContact O-CA 3.25Å; P828-Q832 WeakPolarHBondContact O-CA 3.23Å; P828-Q832 PolarHBondContact O-N 3.47Å; P828-Q832 VanDerWaalsContact O-N 3.09Å; P828-F850 WeakPolarHBondContact CA-O 3.48Å; P828-F850 WeakPolarHBondContact CB-O 3.34Å; P828-L853 HydrophobicContact CG-CB 4.03Å; P828-K854 HydrophobicContact CB-CB 4.12Å; P828-L857 HydrophobicContact CG-CD1 3.75Å |
| 829 | L | 91.3 | Very high | 88 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -95.4 | -4.1 | -177.6 | -59.4 | 179.8 | 0 | 0 | 0 | 113.1 | V826 L827 I851 K854 A888 F891 R1668 | V826-L829 PolarHBondContact O-N 3.4Å; L827-L829 VanDerWaalsContact C-N 3.33Å; L827-L829 PolarHBondContact O-N 3Å; L829-I851 HydrophobicContact CD2-CD1 3.74Å; L829-K854 HydrophobicContact CD2-CD 4.07Å; L829-A888 HydrophobicContact CD1-CB 4.15Å; L829-F891 HydrophobicContact CD1-CB 4.42Å; L829-F891 HydrophobicContact CD2-CD1 3.83Å; L829-F891 HydrophobicContact CD2-CE1 4.15Å; L829-F891 HydrophobicContact CD2-CG 4.36Å; L829-R1668 PolarHBondContact O-NH1 2.83Å; L829-R1668 PolarHBondContact O-NH2 3.02Å |
| 830 | H | 91.9 | Very high | 86.2 | Confident | 51 Ų | 51 | 42.8 Ų | 42.8 | 24% | 0.236 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -93.8 | -46.5 | 173.9 | -172.7 | 74.7 | 0 | 0 | 0 | 111.2 | V826 L827 S1639 L1641 | V826-H830 WeakPolarHBondContact O-CB 3.47Å; V826-H830 PolarHBondContact O-N 3.43Å; V826-H830 VanDerWaalsContact O-N 3.11Å; L827-H830 PolarHBondContact O-N 2.84Å; H830-S1639 PolarHBondContact NE2-O 3.49Å; H830-L1641 HydrophobicContact CB-CD2 4.14Å |
| 831 | Y | 90.7 | Very high | 84.1 | Confident | 48 Ų | 48 | 46 Ų | 46 | 19% | 0.188 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -99.9 | -15.7 | -178.3 | -65.5 | -52.9 | 0 | 0 | 0 | 114.4 | L827 T833 L834 F850 S1639 | L827-Y831 HydrophobicContact CB-CD2 4.24Å; L827-Y831 HydrophobicContact CD2-CD2 4.31Å; L827-Y831 HydrophobicContact CD2-CE2 3.92Å; L827-Y831 PolarHBondContact O-N 2.84Å; Y831-T833 PolarHBondContact O-N 3.22Å; Y831-L834 HydrophobicContact CD1-CD1 3.74Å; Y831-L834 HydrophobicContact CG-CD1 4.21Å; Y831-L834 WeakPolarHBondContact O-CB 3.42Å; Y831-L834 WeakPolarHBondContact O-CG 3.3Å; Y831-L834 PolarHBondContact O-N 3.11Å; Y831-F850 VanDerWaalsContact CB-CD2 3.42Å; Y831-F850 AromaticContact CD2-CD1 3.88Å; Y831-F850 HydrophobicContact CD2-CD1 3.88Å; Y831-F850 HydrophobicContact CD2-CD2 4.3Å; Y831-F850 AromaticContact CD2-CE1 3.48Å; Y831-F850 HydrophobicContact CD2-CE1 3.48Å; Y831-F850 VanDerWaalsContact CD2-CE1 3.48Å; Y831-F850 AromaticContact CD2-CE2 3.96Å; Y831-F850 HydrophobicContact CD2-CE2 3.96Å; Y831-F850 HydrophobicContact CD2-CG 4.25Å; Y831-F850 AromaticContact CD2-CZ 3.51Å; Y831-F850 HydrophobicContact CD2-CZ 3.51Å; Y831-F850 HydrophobicContact CE2-CE1 4.19Å; Y831-F850 HydrophobicContact CE2-CZ 4.1Å; Y831-F850 HydrophobicContact CG-CD1 4.43Å; Y831-F850 HydrophobicContact CG-CD2 4.19Å; Y831-F850 HydrophobicContact CG-CE1 4.3Å; Y831-F850 HydrophobicContact CG-CE2 4.06Å; Y831-F850 HydrophobicContact CG-CG 4.36Å; Y831-F850 HydrophobicContact CG-CZ 4.1Å; Y831-S1639 VanDerWaalsContact OH-CB 3.22Å; Y831-S1639 WeakPolarHBondContact OH-CB 3.1Å |
| 832 | Q | 88.8 | Confident | 81.7 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 26% | 0.262 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | -106 | 168.7 | -53.3 | 177.8 | 28 | 0 | 0 | 115.2 | P828 L834 F850 I851 F891 | P828-Q832 VanDerWaalsContact O-CA 3.25Å; P828-Q832 WeakPolarHBondContact O-CA 3.23Å; P828-Q832 PolarHBondContact O-N 3.47Å; P828-Q832 VanDerWaalsContact O-N 3.09Å; Q832-L834 VanDerWaalsContact C-N 3.33Å; Q832-F850 PolarHBondContact O-N 3.32Å; Q832-I851 WeakPolarHBondContact O-CB 3.25Å; Q832-I851 PolarHBondContact O-N 2.66Å; Q832-F891 HydrophobicContact CG-CE2 4.45Å; Q832-F891 HydrophobicContact CG-CZ 4.3Å; Q832-F891 VanDerWaalsContact NE2-CE2 3.3Å |
| 833 | T | 86.3 | Confident | 79.1 | Confident | 110 Ų | 110 | 61 Ų | 61 | 68% | 0.675 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -5.7 | -174.2 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | Y831 T849 | Y831-T833 PolarHBondContact O-N 3.22Å; T833-T849 WeakPolarHBondContact O-CG2 3.32Å |
| 834 | L | 88.3 | Confident | 76.9 | Confident | 92 Ų | 92 | 65.3 Ų | 65.3 | 48% | 0.482 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -60 | 135.7 | 176.1 | -74.4 | 168.5 | 0 | 0 | 0 | 110.7 | Y831 Q832 T849 F850 | Y831-L834 HydrophobicContact CD1-CD1 3.74Å; Y831-L834 HydrophobicContact CG-CD1 4.21Å; Y831-L834 WeakPolarHBondContact O-CB 3.42Å; Y831-L834 WeakPolarHBondContact O-CG 3.3Å; Y831-L834 PolarHBondContact O-N 3.11Å; Q832-L834 VanDerWaalsContact C-N 3.33Å; L834-T849 WeakPolarHBondContact O-CA 3.4Å; L834-F850 HydrophobicContact CB-CD2 3.94Å; L834-F850 HydrophobicContact CB-CE2 4.27Å; L834-F850 WeakPolarHBondContact O-CD2 3.42Å; L834-F850 PolarHBondContact O-N 3.46Å; L834-F850 VanDerWaalsContact O-N 3.14Å |
| 835 | P | 84.9 | Confident | 74.6 | Confident | 52 Ų | 52 | 74.4 Ų | 74.4 | 34% | 0.338 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 135.5 | 178.7 | 31 | -33.5 | 0 | 0 | 0 | 111.6 | M847 F848 | P835-M847 HydrophobicContact CB-CE 3.62Å; P835-M847 HydrophobicContact CG-CE 3.83Å; P835-F848 CarbonylContact C-O 3.5Å; P835-F848 WeakPolarHBondContact CA-O 3.2Å |
| 836 | I | 82.5 | Confident | 72.9 | Confident | 19 Ų | 19 | 82.5 Ų | 82.5 | 10% | 0.097 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 120.4 | 168.4 | -54.5 | -178.2 | 0 | 0 | 0 | 107.4 | L783 P784 F848 F850 L853 | L783-I836 HydrophobicContact CD1-CD1 4.46Å; P784-I836 HydrophobicContact CG-CG2 4.21Å; I836-F848 HydrophobicContact CD1-CD1 4.13Å; I836-F848 HydrophobicContact CD1-CE1 4.28Å; I836-F848 PolarHBondContact N-O 3.26Å; I836-F850 HydrophobicContact CD1-CD1 4.14Å; I836-F850 HydrophobicContact CD1-CD2 4.48Å; I836-F850 HydrophobicContact CD1-CE1 4.3Å; I836-F850 HydrophobicContact CD1-CG 4.26Å; I836-F850 HydrophobicContact CG1-CD1 4.38Å; I836-F850 HydrophobicContact CG1-CD2 3.89Å; I836-F850 HydrophobicContact CG1-CE1 4.39Å; I836-F850 HydrophobicContact CG1-CE2 3.9Å; I836-F850 HydrophobicContact CG1-CG 4.16Å; I836-F850 HydrophobicContact CG1-CZ 4.17Å; I836-L853 HydrophobicContact CD1-CD1 3.74Å; I836-L853 HydrophobicContact CD1-CG 4.24Å |
| 837 | R | 72.5 | Confident | 71.5 | Confident | 197 Ų | 197 | 89.1 Ų | 89.1 | 74% | 0.743 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -84.9 | 128.8 | 175.1 | -65.3 | -176.9 | 178.9 | -177.1 | -0.6 | 109.8 | ||
| 838 | D | 65.5 | Low | 70.7 | Confident | 82 Ų | 82 | 92.1 Ų | 92.1 | 44% | 0.439 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -88.6 | 141.2 | 165.6 | -169.6 | -19.8 | 0 | 0 | 0 | 109.4 | Q746 T840 C841 | Q746-D838 PolarHBondContact NE2-OD1 3.04Å; D838-T840 PolarHBondContact OD1-N 2.93Å; D838-T840 PolarHBondContact OD1-OG1 3.21Å; D838-T840 PolarHBondContact OD2-OG1 3.03Å; D838-C841 HydrophobicContact CB-CB 4.26Å |
| 839 | L | 64.3 | Low | 70.5 | Confident | 85 Ų | 85 | 93.4 Ų | 93.4 | 45% | 0.445 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -80.5 | -13.6 | 174.4 | -72.8 | 163.3 | 0 | 0 | 0 | 113.7 | M743 V781 | M743-L839 HydrophobicContact CE-CB 4.09Å; M743-L839 HydrophobicContact CE-CD1 4.05Å; M743-L839 HydrophobicContact CE-CD2 4.08Å; M743-L839 HydrophobicContact CE-CG 4.3Å; V781-L839 HydrophobicContact CG1-CD1 3.53Å; V781-L839 HydrophobicContact CG1-CG 3.6Å |
| 840 | T | 57.1 | Low | 70.4 | Confident | 78 Ų | 78 | 93.6 Ų | 93.6 | 48% | 0.479 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -117.4 | -1.6 | -166.4 | 60 | 0 | 0 | 0 | 0 | 115.2 | Q746 D838 E842 | Q746-T840 PolarHBondContact NE2-OG1 2.87Å; D838-T840 PolarHBondContact OD1-N 2.93Å; D838-T840 PolarHBondContact OD1-OG1 3.21Å; D838-T840 PolarHBondContact OD2-OG1 3.03Å; T840-E842 PolarHBondContact O-N 2.84Å |
| 841 | C | 50.9 | Low | 70.2 | Confident | 68 Ų | 68 | 94 Ų | 94 | 46% | 0.459 | 49% | 0.486 | S | S | . | . | trans | -91.3 | 89.2 | -176.3 | -157 | 0 | 0 | 0 | 0 | 112.3 | D838 S843 | D838-C841 HydrophobicContact CB-CB 4.26Å; C841-S843 VanDerWaalsContact C-N 3.28Å | ||
| 842 | E | 45.7 | Very low | 70 | Confident | 197 Ų | 197 | 96 Ų | 96 | 92% | 0.921 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -81.8 | 0.6 | 170.7 | -65.9 | -169.7 | 143.7 | 0 | 0 | 113.3 | T840 | T840-E842 PolarHBondContact O-N 2.84Š|
| 843 | S | 41.3 | Very low | 70 | Confident | 116 Ų | 116 | 93.5 Ų | 93.5 | 81% | 0.811 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -156.3 | 30.3 | -163 | 59.9 | 0 | 0 | 0 | 0 | 118.6 | C841 | C841-S843 VanDerWaalsContact C-N 3.28Š|
| 844 | S | 45.8 | Very low | 70.2 | Confident | 93 Ų | 93 | 89.2 Ų | 89.2 | 65% | 0.65 | 46% | 0.457 | S | S | * | . | trans | -147.5 | 138.1 | 170.2 | -167.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 845 | E | 47.1 | Very low | 70.1 | Confident | 193 Ų | 193 | 86 Ų | 86 | 90% | 0.902 | 44% | 0.442 | S | S | * | . | trans | -91.1 | -7.1 | -165.9 | -61.2 | -175.9 | 127.6 | 0 | 0 | 115.3 | M847 | E845-M847 PolarHBondContact O-N 2.92Š| ||
| 846 | K | 55.9 | Low | 70.4 | Confident | 178 Ų | 178 | 87.1 Ų | 87.1 | 77% | 0.774 | 44% | 0.44 | S | S | * | . | trans | -86.4 | 91.8 | -177 | -71.2 | -162.1 | 174 | -167.4 | 0 | 112.1 | F848 | K846-F848 PolarHBondContact O-N 3.19Š| ||
| 847 | M | 64.5 | Low | 71 | Confident | 142 Ų | 142 | 86.5 Ų | 86.5 | 70% | 0.7 | 44% | 0.436 | S | S | * | . | trans | -58.7 | 131.5 | 166.6 | -64 | -178.1 | 83.4 | 0 | 0 | 110.6 | P835 E845 | P835-M847 HydrophobicContact CB-CE 3.62Å; P835-M847 HydrophobicContact CG-CE 3.83Å; E845-M847 PolarHBondContact O-N 2.92Å | ||
| 848 | F | 76.6 | Confident | 71.8 | Confident | 69 Ų | 69 | 77.3 Ų | 77.3 | 30% | 0.303 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 139.9 | -177.3 | -175.4 | -83.2 | 0 | 0 | 0 | 110.5 | P835 I836 K846 Q852 L853 | P835-F848 CarbonylContact C-O 3.5Å; P835-F848 WeakPolarHBondContact CA-O 3.2Å; I836-F848 HydrophobicContact CD1-CD1 4.13Å; I836-F848 HydrophobicContact CD1-CE1 4.28Å; I836-F848 PolarHBondContact N-O 3.26Å; K846-F848 PolarHBondContact O-N 3.19Å; F848-Q852 HydrophobicContact CD2-CB 4.28Å; F848-Q852 VanDerWaalsContact CD2-OE1 3.26Å; F848-Q852 HydrophobicContact CE1-CB 3.92Å; F848-Q852 HydrophobicContact CE2-CB 3.6Å; F848-Q852 HydrophobicContact CZ-CB 3.39Å; F848-L853 HydrophobicContact CE1-CD2 3.43Å; F848-L853 VanDerWaalsContact CE1-CD2 3.43Å; F848-L853 HydrophobicContact CE1-CG 3.82Å; F848-L853 HydrophobicContact CZ-CD2 3.73Å; F848-L853 HydrophobicContact CZ-CG 4.34Å |
| 849 | T | 87.6 | Confident | 73 | Confident | 30 Ų | 30 | 77.2 Ų | 77.2 | 18% | 0.184 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 157.5 | -173.2 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | T833 L834 I851 Q852 | T833-T849 WeakPolarHBondContact O-CG2 3.32Å; L834-T849 WeakPolarHBondContact O-CA 3.4Å; T849-I851 VanDerWaalsContact C-N 3.3Å; T849-I851 PolarHBondContact O-N 2.76Å; T849-Q852 WeakPolarHBondContact O-CB 3.38Å; T849-Q852 PolarHBondContact O-N 3Å; T849-Q852 VanDerWaalsContact O-N 3.13Å; T849-Q852 WeakPolarHBondContact OG1-CG 3.36Å; T849-Q852 PolarHBondContact OG1-OE1 2.89Å |
| 850 | F | 90.1 | Very high | 74.4 | Confident | 10 Ų | 10 | 73.4 Ų | 73.4 | 4% | 0.044 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -57.4 | -39.1 | -178.2 | -84.2 | -87.5 | 0 | 0 | 0 | 113.7 | N780 L783 L827 P828 Y831 Q832 L834 I836 Q852 L853 | N780-F850 HydrophobicContact CB-CE1 4.3Å; N780-F850 HydrophobicContact CB-CZ 3.75Å; L783-F850 HydrophobicContact CD1-CD1 4.3Å; L783-F850 HydrophobicContact CD1-CE1 3.5Å; L783-F850 VanDerWaalsContact CD1-CE1 3.5Å; L783-F850 HydrophobicContact CD1-CZ 4.22Å; L827-F850 HydrophobicContact CB-CD1 3.98Å; L827-F850 HydrophobicContact CB-CE1 4.07Å; L827-F850 HydrophobicContact CD1-CE1 4.47Å; P828-F850 WeakPolarHBondContact CA-O 3.48Å; P828-F850 WeakPolarHBondContact CB-O 3.34Å; Y831-F850 VanDerWaalsContact CB-CD2 3.42Å; Y831-F850 AromaticContact CD2-CD1 3.88Å; Y831-F850 HydrophobicContact CD2-CD1 3.88Å; Y831-F850 HydrophobicContact CD2-CD2 4.3Å; Y831-F850 AromaticContact CD2-CE1 3.48Å; Y831-F850 HydrophobicContact CD2-CE1 3.48Å; Y831-F850 VanDerWaalsContact CD2-CE1 3.48Å; Y831-F850 AromaticContact CD2-CE2 3.96Å; Y831-F850 HydrophobicContact CD2-CE2 3.96Å; Y831-F850 HydrophobicContact CD2-CG 4.25Å; Y831-F850 AromaticContact CD2-CZ 3.51Å; Y831-F850 HydrophobicContact CD2-CZ 3.51Å; Y831-F850 HydrophobicContact CE2-CE1 4.19Å; Y831-F850 HydrophobicContact CE2-CZ 4.1Å; Y831-F850 HydrophobicContact CG-CD1 4.43Å; Y831-F850 HydrophobicContact CG-CD2 4.19Å; Y831-F850 HydrophobicContact CG-CE1 4.3Å; Y831-F850 HydrophobicContact CG-CE2 4.06Å; Y831-F850 HydrophobicContact CG-CG 4.36Å; Y831-F850 HydrophobicContact CG-CZ 4.1Å; Q832-F850 PolarHBondContact O-N 3.32Å; L834-F850 HydrophobicContact CB-CD2 3.94Å; L834-F850 HydrophobicContact CB-CE2 4.27Å; L834-F850 WeakPolarHBondContact O-CD2 3.42Å; L834-F850 PolarHBondContact O-N 3.46Å; L834-F850 VanDerWaalsContact O-N 3.14Å; I836-F850 HydrophobicContact CD1-CD1 4.14Å; I836-F850 HydrophobicContact CD1-CD2 4.48Å; I836-F850 HydrophobicContact CD1-CE1 4.3Å; I836-F850 HydrophobicContact CD1-CG 4.26Å; I836-F850 HydrophobicContact CG1-CD1 4.38Å; I836-F850 HydrophobicContact CG1-CD2 3.89Å; I836-F850 HydrophobicContact CG1-CE1 4.39Å; I836-F850 HydrophobicContact CG1-CE2 3.9Å; I836-F850 HydrophobicContact CG1-CG 4.16Å; I836-F850 HydrophobicContact CG1-CZ 4.17Å; F850-Q852 PolarHBondContact O-N 2.88Å; F850-L853 HydrophobicContact CD1-CD1 4.4Å; F850-L853 VanDerWaalsContact O-CB 3.3Å; F850-L853 WeakPolarHBondContact O-CB 3.48Å; F850-L853 PolarHBondContact O-N 3.06Å |
| 851 | I | 87.3 | Confident | 76.2 | Confident | 59 Ų | 59 | 69.7 Ų | 69.7 | 30% | 0.303 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -61.3 | -29.9 | -179.9 | -167.1 | 63.2 | 0 | 0 | 0 | 112.4 | L829 Q832 T849 L853 K854 | L829-I851 HydrophobicContact CD2-CD1 3.74Å; Q832-I851 WeakPolarHBondContact O-CB 3.25Å; Q832-I851 PolarHBondContact O-N 2.66Å; T849-I851 VanDerWaalsContact C-N 3.3Å; T849-I851 PolarHBondContact O-N 2.76Å; I851-L853 PolarHBondContact O-N 3.23Å; I851-K854 HydrophobicContact CD1-CD 4.38Å; I851-K854 VanDerWaalsContact O-CB 3.28Å; I851-K854 WeakPolarHBondContact O-CB 3.39Å; I851-K854 PolarHBondContact O-N 2.95Å |
| 852 | Q | 87.2 | Confident | 78.2 | Confident | 91 Ų | 91 | 67.4 Ų | 67.4 | 43% | 0.425 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -69.8 | -7.4 | 176.4 | -64.1 | 170.8 | -30.3 | 0 | 0 | 113.3 | F848 T849 F850 | F848-Q852 HydrophobicContact CD2-CB 4.28Å; F848-Q852 VanDerWaalsContact CD2-OE1 3.26Å; F848-Q852 HydrophobicContact CE1-CB 3.92Å; F848-Q852 HydrophobicContact CE2-CB 3.6Å; F848-Q852 HydrophobicContact CZ-CB 3.39Å; T849-Q852 WeakPolarHBondContact O-CB 3.38Å; T849-Q852 PolarHBondContact O-N 3Å; T849-Q852 VanDerWaalsContact O-N 3.13Å; T849-Q852 WeakPolarHBondContact OG1-CG 3.36Å; T849-Q852 PolarHBondContact OG1-OE1 2.89Å; F850-Q852 PolarHBondContact O-N 2.88Å |
| 853 | L | 89.1 | Confident | 80.4 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -81.7 | -16.7 | 169.4 | -62 | -179.6 | 0 | 0 | 0 | 113.4 | L783 I787 P828 I836 F848 F850 I851 S855 R856 L857 | L783-L853 HydrophobicContact CD1-CD1 4.39Å; I787-L853 HydrophobicContact CD1-CD1 3.7Å; I787-L853 HydrophobicContact CD1-CD2 3.6Å; I787-L853 HydrophobicContact CD1-CG 4.16Å; P828-L853 HydrophobicContact CG-CB 4.03Å; I836-L853 HydrophobicContact CD1-CD1 3.74Å; I836-L853 HydrophobicContact CD1-CG 4.24Å; F848-L853 HydrophobicContact CE1-CD2 3.43Å; F848-L853 VanDerWaalsContact CE1-CD2 3.43Å; F848-L853 HydrophobicContact CE1-CG 3.82Å; F848-L853 HydrophobicContact CZ-CD2 3.73Å; F848-L853 HydrophobicContact CZ-CG 4.34Å; F850-L853 HydrophobicContact CD1-CD1 4.4Å; F850-L853 VanDerWaalsContact O-CB 3.3Å; F850-L853 WeakPolarHBondContact O-CB 3.48Å; F850-L853 PolarHBondContact O-N 3.06Å; I851-L853 PolarHBondContact O-N 3.23Å; L853-S855 PolarHBondContact O-N 2.83Å; L853-R856 PolarHBondContact O-N 2.86Å; L853-L857 HydrophobicContact CB-CD1 4.1Å; L853-L857 HydrophobicContact CB-CG 4.34Å; L853-L857 WeakPolarHBondContact O-CG 3.23Å; L853-L857 PolarHBondContact O-N 3.17Å |
| 854 | K | 89.6 | Confident | 83 | Confident | 20 Ų | 20 | 55.9 Ų | 55.9 | 9% | 0.087 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.1 | -54.8 | -170.7 | -168.1 | -176.6 | -175.4 | -173.8 | 0 | 112 | P828 L829 I851 R856 M858 E892 D985 | P828-K854 HydrophobicContact CB-CB 4.12Å; L829-K854 HydrophobicContact CD2-CD 4.07Å; I851-K854 HydrophobicContact CD1-CD 4.38Å; I851-K854 VanDerWaalsContact O-CB 3.28Å; I851-K854 WeakPolarHBondContact O-CB 3.39Å; I851-K854 PolarHBondContact O-N 2.95Å; K854-R856 PolarHBondContact O-N 3.18Å; K854-M858 WeakPolarHBondContact O-CB 3.46Å; K854-M858 PolarHBondContact O-N 3.11Å; K854-E892 IonicContact NZ-OE1 3.68Å; K854-D985 HydrophobicContact CD-CB 4.38Å; K854-D985 VanDerWaalsContact CE-O 3.28Å; K854-D985 WeakPolarHBondContact CE-O 3.33Å; K854-D985 PolarHBondContact NZ-O 3.42Å |
| 855 | S | 87.4 | Confident | 85.2 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 17% | 0.168 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.4 | -43.1 | 176.9 | 6.9 | 0 | 0 | 0 | 0 | 112.7 | L853 N859 D985 | L853-S855 PolarHBondContact O-N 2.83Å; S855-N859 WeakPolarHBondContact O-CB 3.36Å; S855-N859 PolarHBondContact O-N 3.29Å; S855-N859 PolarHBondContact O-ND2 2.84Å; S855-D985 WeakPolarHBondContact CA-OD1 3.45Å; S855-D985 VanDerWaalsContact CB-OD1 3.26Å; S855-D985 WeakPolarHBondContact CB-OD1 3.31Å; S855-D985 WeakPolarHBondContact CB-OD2 3.43Å; S855-D985 PolarHBondContact N-OD2 3.33Å; S855-D985 PolarHBondContact OG-OD2 3.39Å |
| 856 | R | 91.4 | Very high | 87.4 | Confident | 77 Ų | 77 | 46 Ų | 46 | 29% | 0.291 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.9 | -52.1 | 180 | -70.3 | -177.4 | 68.4 | -174.5 | 4.9 | 111.6 | E791 L853 K854 M858 N859 I860 | E791-R856 IonicContact OE1-CZ 2.82Å; E791-R856 VanDerWaalsContact OE1-CZ 3.25Å; E791-R856 IonicContact OE1-NE 2.66Å; E791-R856 PolarHBondContact OE1-NE 2.89Å; E791-R856 IonicContact OE1-NH2 2.87Å; E791-R856 PolarHBondContact OE1-NH2 2.91Å; E791-R856 IonicContact OE2-CZ 2.8Å; E791-R856 IonicContact OE2-NH2 3.01Å; E791-R856 PolarHBondContact OE2-NH2 3.32Å; L853-R856 PolarHBondContact O-N 2.86Å; K854-R856 PolarHBondContact O-N 3.18Å; R856-M858 VanDerWaalsContact C-N 3.33Å; R856-M858 PolarHBondContact O-N 2.84Å; R856-N859 PolarHBondContact O-N 3.36Å; R856-I860 WeakPolarHBondContact O-CD1 3.5Å; R856-I860 VanDerWaalsContact O-CG1 3.25Å; R856-I860 WeakPolarHBondContact O-CG1 3.17Å; R856-I860 PolarHBondContact O-N 3.09Å |
| 857 | L | 93.7 | Very high | 89 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -39.3 | -179.7 | -66.2 | 177.7 | 0 | 0 | 0 | 111.9 | I787 L821 I824 P828 L853 I860 L861 | I787-L857 HydrophobicContact CD1-CD2 3.74Å; I787-L857 HydrophobicContact CD1-CG 4.31Å; I787-L857 HydrophobicContact CG1-CD2 3.81Å; I787-L857 HydrophobicContact CG2-CD2 4.36Å; L821-L857 HydrophobicContact CD1-CD2 3.9Å; I824-L857 HydrophobicContact CD1-CD2 3.69Å; I824-L857 HydrophobicContact CG1-CD1 4.35Å; I824-L857 HydrophobicContact CG1-CD2 3.96Å; P828-L857 HydrophobicContact CG-CD1 3.75Å; L853-L857 HydrophobicContact CB-CD1 4.1Å; L853-L857 HydrophobicContact CB-CG 4.34Å; L853-L857 WeakPolarHBondContact O-CG 3.23Å; L853-L857 PolarHBondContact O-N 3.17Å; L857-I860 HydrophobicContact CD2-CD1 4.39Å; L857-L861 WeakPolarHBondContact O-CB 3.22Å; L857-L861 PolarHBondContact O-N 3.22Å |
| 858 | M | 89.1 | Confident | 90.4 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 173.1 | 177.6 | 55.1 | 52.1 | 0 | 0 | 112.3 | K854 R856 I860 L861 M862 L881 C884 L990 | K854-M858 WeakPolarHBondContact O-CB 3.46Å; K854-M858 PolarHBondContact O-N 3.11Å; R856-M858 VanDerWaalsContact C-N 3.33Å; R856-M858 PolarHBondContact O-N 2.84Å; M858-I860 PolarHBondContact O-N 3.03Å; M858-L861 HydrophobicContact CE-CD2 4.41Å; M858-L861 WeakPolarHBondContact O-CB 3.49Å; M858-L861 PolarHBondContact O-N 3.29Å; M858-L861 HydrophobicContact SD-CD2 4.49Å; M858-M862 HydrophobicContact CG-CG 4.26Å; M858-M862 WeakPolarHBondContact O-CB 3.35Å; M858-M862 VanDerWaalsContact O-CG 3.26Å; M858-M862 WeakPolarHBondContact O-CG 3.37Å; M858-M862 PolarHBondContact O-N 2.89Å; M858-M862 HydrophobicContact SD-CG 3.51Å; M858-M862 VanDerWaalsContact SD-CG 3.51Å; M858-M862 HydrophobicContact SD-SD 4.23Å; M858-L881 HydrophobicContact SD-CD1 4.33Å; M858-C884 HydrophobicContact CE-CB 3.76Å; M858-C884 WeakPolarHBondContact CE-SG 3.05Å; M858-L990 HydrophobicContact CE-CD1 4.17Å; M858-L990 HydrophobicContact CE-CD2 3.91Å; M858-L990 HydrophobicContact CG-CD2 3.65Å; M858-L990 HydrophobicContact SD-CD2 3.98Å |
| 859 | N | 91.8 | Very high | 91 | Very high | 79 Ų | 79 | 35.6 Ų | 35.6 | 42% | 0.422 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.5 | -39.1 | 179.6 | -71.4 | -20.5 | 0 | 0 | 0 | 111.9 | S855 R856 N863 | S855-N859 WeakPolarHBondContact O-CB 3.36Å; S855-N859 PolarHBondContact O-N 3.29Å; S855-N859 PolarHBondContact O-ND2 2.84Å; R856-N859 PolarHBondContact O-N 3.36Å; N859-N863 VanDerWaalsContact O-CB 3.26Å; N859-N863 WeakPolarHBondContact O-CB 3.46Å; N859-N863 PolarHBondContact O-N 3.48Å; N859-N863 PolarHBondContact O-ND2 3.33Å |
| 860 | I | 94.2 | Very high | 91.2 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.5 | -49.5 | 173.4 | -65.3 | 160.2 | 0 | 0 | 0 | 110.3 | I787 L790 E791 L794 L821 R856 L857 M858 N863 A864 | I787-I860 HydrophobicContact CG2-CD1 3.78Å; L790-I860 HydrophobicContact CB-CD1 4.49Å; L790-I860 HydrophobicContact CB-CG2 4.21Å; E791-I860 HydrophobicContact CG-CD1 3.55Å; E791-I860 HydrophobicContact CG-CG1 3.61Å; L794-I860 HydrophobicContact CB-CG2 4.37Å; L794-I860 HydrophobicContact CD1-CG2 3.9Å; L821-I860 HydrophobicContact CD1-CG2 4.3Å; L821-I860 HydrophobicContact CD2-CG2 4.05Å; R856-I860 WeakPolarHBondContact O-CD1 3.5Å; R856-I860 VanDerWaalsContact O-CG1 3.25Å; R856-I860 WeakPolarHBondContact O-CG1 3.17Å; R856-I860 PolarHBondContact O-N 3.09Å; L857-I860 HydrophobicContact CD2-CD1 4.39Å; M858-I860 PolarHBondContact O-N 3.03Å; I860-N863 PolarHBondContact O-N 3.31Å; I860-A864 VanDerWaalsContact O-CB 3.27Å; I860-A864 WeakPolarHBondContact O-CB 3.31Å; I860-A864 PolarHBondContact O-N 3.3Å |
| 861 | L | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -48.9 | 179.4 | -177 | 79 | 0 | 0 | 0 | 112.4 | L821 M825 L857 M858 N863 A864 L865 L877 L881 | L821-L861 HydrophobicContact CD2-CB 4.21Å; L821-L861 HydrophobicContact CD2-CD1 3.92Å; M825-L861 HydrophobicContact CE-CD1 4.08Å; M825-L861 HydrophobicContact CE-CD2 3.55Å; M825-L861 HydrophobicContact CE-CG 4.36Å; M825-L861 HydrophobicContact SD-CD1 3.91Å; M825-L861 HydrophobicContact SD-CD2 4.37Å; L857-L861 WeakPolarHBondContact O-CB 3.22Å; L857-L861 PolarHBondContact O-N 3.22Å; M858-L861 HydrophobicContact CE-CD2 4.41Å; M858-L861 WeakPolarHBondContact O-CB 3.49Å; M858-L861 PolarHBondContact O-N 3.29Å; M858-L861 HydrophobicContact SD-CD2 4.49Å; L861-N863 VanDerWaalsContact C-N 3.34Å; L861-N863 PolarHBondContact O-N 3.42Å; L861-A864 PolarHBondContact O-N 2.95Å; L861-L865 WeakPolarHBondContact O-CB 3.34Å; L861-L865 PolarHBondContact O-N 3.14Å; L861-L877 HydrophobicContact CD1-CD2 3.69Å; L861-L881 HydrophobicContact CD2-CB 4.02Å; L861-L881 HydrophobicContact CD2-CD1 3.97Å |
| 862 | M | 91.7 | Very high | 91.2 | Very high | 20 Ų | 20 | 37.8 Ų | 37.8 | 10% | 0.099 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.7 | -31.4 | -177.8 | -69.8 | -68.7 | -75 | 0 | 0 | 112.4 | M858 Q866 L881 R993 L997 | M858-M862 HydrophobicContact CG-CG 4.26Å; M858-M862 WeakPolarHBondContact O-CB 3.35Å; M858-M862 VanDerWaalsContact O-CG 3.26Å; M858-M862 WeakPolarHBondContact O-CG 3.37Å; M858-M862 PolarHBondContact O-N 2.89Å; M858-M862 HydrophobicContact SD-CG 3.51Å; M858-M862 VanDerWaalsContact SD-CG 3.51Å; M858-M862 HydrophobicContact SD-SD 4.23Å; M862-Q866 VanDerWaalsContact O-CG 3.3Å; M862-Q866 WeakPolarHBondContact O-CG 3.47Å; M862-Q866 PolarHBondContact O-NE2 3.43Å; M862-L881 HydrophobicContact SD-CD1 3.67Å; M862-L881 HydrophobicContact SD-CD2 4.14Å; M862-R993 HydrophobicContact CE-CB 3.96Å; M862-R993 WeakPolarHBondContact CE-O 3.38Å; M862-L997 HydrophobicContact CE-CB 3.92Å; M862-L997 HydrophobicContact CE-CD2 3.5Å; M862-L997 VanDerWaalsContact CE-CD2 3.5Å; M862-L997 HydrophobicContact CE-CG 4.35Å; M862-L997 HydrophobicContact SD-CD2 3.74Å |
| 863 | N | 93.1 | Very high | 91.5 | Very high | 71 Ų | 71 | 33.4 Ų | 33.4 | 38% | 0.38 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -76.5 | -40.9 | 173.5 | -68.9 | -16 | 0 | 0 | 0 | 111.5 | P795 N859 I860 L861 L865 Q866 V867 | P795-N863 HydrophobicContact CB-CB 4.09Å; P795-N863 HydrophobicContact CG-CB 4.37Å; N859-N863 VanDerWaalsContact O-CB 3.26Å; N859-N863 WeakPolarHBondContact O-CB 3.46Å; N859-N863 PolarHBondContact O-N 3.48Å; N859-N863 PolarHBondContact O-ND2 3.33Å; I860-N863 PolarHBondContact O-N 3.31Å; L861-N863 VanDerWaalsContact C-N 3.34Å; L861-N863 PolarHBondContact O-N 3.42Å; N863-L865 VanDerWaalsContact C-N 3.34Å; N863-L865 PolarHBondContact O-N 3.33Å; N863-Q866 WeakPolarHBondContact O-CB 3.48Å; N863-Q866 PolarHBondContact O-N 2.71Å; N863-Q866 VanDerWaalsContact O-N 3.09Å; N863-V867 PolarHBondContact O-N 2.94Å |
| 864 | A | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.9 | -48.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L794 I860 L861 Q866 V867 E868 L877 | L794-A864 HydrophobicContact CB-CB 3.9Å; I860-A864 VanDerWaalsContact O-CB 3.27Å; I860-A864 WeakPolarHBondContact O-CB 3.31Å; I860-A864 PolarHBondContact O-N 3.3Å; L861-A864 PolarHBondContact O-N 2.95Å; A864-Q866 PolarHBondContact O-N 2.97Å; A864-Q866 VanDerWaalsContact O-N 3.14Å; A864-V867 PolarHBondContact O-N 2.92Å; A864-V867 VanDerWaalsContact O-N 3.14Å; A864-E868 WeakPolarHBondContact O-CB 3.27Å; A864-E868 PolarHBondContact O-N 2.68Å; A864-L877 HydrophobicContact CB-CD1 3.92Å; A864-L877 HydrophobicContact CB-CD2 3.77Å |
| 865 | L | 93.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.5 | -17 | 179.7 | -173 | 60.1 | 0 | 0 | 0 | 113.6 | L861 N863 T874 L877 L878 L881 L997 W1006 | L861-L865 WeakPolarHBondContact O-CB 3.34Å; L861-L865 PolarHBondContact O-N 3.14Å; N863-L865 VanDerWaalsContact C-N 3.34Å; N863-L865 PolarHBondContact O-N 3.33Å; L865-T874 HydrophobicContact CD1-CG2 3.89Å; L865-L877 HydrophobicContact CB-CB 4.44Å; L865-L877 HydrophobicContact CD1-CB 3.91Å; L865-L878 HydrophobicContact CD1-CD2 4.07Å; L865-L878 HydrophobicContact CD1-CG 4.05Å; L865-L878 HydrophobicContact CD2-CD2 4.01Å; L865-L881 HydrophobicContact CD2-CD2 3.72Å; L865-L997 HydrophobicContact CB-CD2 4.36Å; L865-L997 HydrophobicContact CD2-CD2 3.94Å; L865-L997 HydrophobicContact CG-CD2 4.25Å; L865-W1006 HydrophobicContact CD1-CH2 3.68Å; L865-W1006 HydrophobicContact CD1-CZ2 3.68Å; L865-W1006 HydrophobicContact CD2-CH2 4.28Å; L865-W1006 HydrophobicContact CG-CH2 3.91Å; L865-W1006 HydrophobicContact CG-CZ2 4.11Å |
| 866 | Q | 91.5 | Very high | 92.1 | Very high | 77 Ų | 77 | 33 Ų | 33 | 36% | 0.36 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -87.8 | -22.4 | 176 | -77.5 | 179.1 | 86.5 | 0 | 0 | 114.4 | M862 N863 A864 L997 R1001 | M862-Q866 VanDerWaalsContact O-CG 3.3Å; M862-Q866 WeakPolarHBondContact O-CG 3.47Å; M862-Q866 PolarHBondContact O-NE2 3.43Å; N863-Q866 WeakPolarHBondContact O-CB 3.48Å; N863-Q866 PolarHBondContact O-N 2.71Å; N863-Q866 VanDerWaalsContact O-N 3.09Å; A864-Q866 PolarHBondContact O-N 2.97Å; A864-Q866 VanDerWaalsContact O-N 3.14Å; Q866-L997 HydrophobicContact CG-CD1 3.53Å; Q866-L997 HydrophobicContact CG-CD2 4.15Å; Q866-R1001 PolarHBondContact O-NH1 3.49Å; Q866-R1001 PolarHBondContact O-NH2 3.15Å |
| 867 | V | 91.3 | Very high | 92.3 | Very high | 37 Ų | 37 | 29.4 Ų | 29.4 | 22% | 0.224 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -114 | -16.4 | -177.2 | -57.4 | 0 | 0 | 0 | 0 | 114.1 | L794 K797 N863 A864 | L794-V867 VanDerWaalsContact O-CG2 3.26Å; L794-V867 WeakPolarHBondContact O-CG2 3.34Å; K797-V867 HydrophobicContact CB-CB 4.21Å; N863-V867 PolarHBondContact O-N 2.94Å; A864-V867 PolarHBondContact O-N 2.92Å; A864-V867 VanDerWaalsContact O-N 3.14Å |
| 868 | E | 92.6 | Very high | 92.4 | Very high | 16 Ų | 16 | 29.1 Ų | 29.1 | 8% | 0.075 | 16% | 0.159 | C | C | . | . | trans | -59.5 | 138.7 | 179.7 | -167.4 | 58.7 | -123.6 | 0 | 0 | 112.2 | R814 A864 D870 N873 T874 L877 | R814-E868 IonicContact CZ-OE2 3.01Å; R814-E868 IonicContact NE-OE1 2.74Å; R814-E868 IonicContact NE-OE2 3.86Å; R814-E868 PolarHBondContact NE-OE2 2.98Å; R814-E868 IonicContact NH2-OE2 2.73Å; R814-E868 PolarHBondContact NH2-OE2 2.87Å; A864-E868 WeakPolarHBondContact O-CB 3.27Å; A864-E868 PolarHBondContact O-N 2.68Å; E868-D870 PolarHBondContact OE1-N 3.43Å; E868-N873 HydrophobicContact CG-CB 3.58Å; E868-N873 WeakPolarHBondContact OE1-CB 3.45Å; E868-N873 PolarHBondContact OE1-ND2 3.31Å; E868-N873 VanDerWaalsContact OE1-ND2 3.12Å; E868-T874 WeakPolarHBondContact CG-OG1 3.46Å; E868-L877 HydrophobicContact CB-CD1 3.95Å; E868-L877 HydrophobicContact CG-CD1 4.07Å | ||
| 869 | T | 89.2 | Confident | 92.7 | Very high | 119 Ų | 119 | 28.9 Ų | 28.9 | 73% | 0.73 | 16% | 0.158 | S | C | * | . | trans | -121.1 | -17 | -179.3 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 870 | D | 91.1 | Very high | 92.8 | Very high | 42 Ų | 42 | 25.1 Ų | 25.1 | 23% | 0.225 | 14% | 0.138 | C | C | . | . | trans | -81.7 | 133.3 | 174.3 | 176.9 | 69.5 | 0 | 0 | 0 | 111.5 | T811 R815 E868 Q872 N873 T874 | T811-D870 HydrophobicContact CG2-CB 3.66Å; R815-D870 IonicContact NH2-OD2 3.8Å; R815-D870 PolarHBondContact NH2-OD2 3.08Å; E868-D870 PolarHBondContact OE1-N 3.43Å; D870-Q872 PolarHBondContact O-N 3.18Å; D870-Q872 WeakPolarHBondContact OD2-CB 3.38Å; D870-Q872 PolarHBondContact OD2-N 3.43Å; D870-Q872 VanDerWaalsContact OD2-N 3.15Å; D870-N873 HydrophobicContact CB-CB 4.02Å; D870-N873 PolarHBondContact O-N 3.09Å; D870-N873 VanDerWaalsContact OD2-CG 3.3Å; D870-N873 PolarHBondContact OD2-N 3.42Å; D870-N873 PolarHBondContact OD2-OD1 2.98Å; D870-T874 WeakPolarHBondContact O-CB 3.36Å; D870-T874 PolarHBondContact O-N 3.37Å; D870-T874 PolarHBondContact O-OG1 2.79Å | ||
| 871 | A | 89.4 | Confident | 92.9 | Very high | 29 Ų | 29 | 25 Ų | 25 | 24% | 0.24 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.9 | -34 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H875 V1012 | A871-H875 WeakPolarHBondContact O-CB 3.07Å; A871-H875 PolarHBondContact O-N 2.98Å; A871-V1012 HydrophobicContact CB-CG2 3.82Å |
| 872 | Q | 89.9 | Confident | 92.9 | Very high | 73 Ų | 73 | 25 Ų | 25 | 34% | 0.341 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -72.4 | -47.4 | 177.2 | -178.3 | -178.6 | -8.3 | 0 | 0 | 110.5 | D870 T874 H875 M876 | D870-Q872 PolarHBondContact O-N 3.18Å; D870-Q872 WeakPolarHBondContact OD2-CB 3.38Å; D870-Q872 PolarHBondContact OD2-N 3.43Å; D870-Q872 VanDerWaalsContact OD2-N 3.15Å; Q872-T874 VanDerWaalsContact C-N 3.29Å; Q872-T874 PolarHBondContact O-N 3.36Å; Q872-H875 WeakPolarHBondContact O-CB 3.24Å; Q872-H875 PolarHBondContact O-N 2.83Å; Q872-M876 HydrophobicContact CG-SD 4.35Å; Q872-M876 VanDerWaalsContact O-CG 3.3Å; Q872-M876 WeakPolarHBondContact O-CG 3.43Å; Q872-M876 PolarHBondContact O-N 2.83Å |
| 873 | N | 93.1 | Very high | 93 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.2 | -41.7 | 175 | -68.1 | -4.1 | 0 | 0 | 0 | 111.6 | T811 R815 I818 E868 D870 M876 L877 | T811-N873 PolarHBondContact O-ND2 3.37Å; R815-N873 VanDerWaalsContact CB-OD1 3.3Å; R815-N873 WeakPolarHBondContact CB-OD1 3.3Å; R815-N873 WeakPolarHBondContact CG-OD1 3.21Å; R815-N873 PolarHBondContact NE-OD1 2.86Å; I818-N873 HydrophobicContact CD1-CB 3.65Å; E868-N873 HydrophobicContact CG-CB 3.58Å; E868-N873 WeakPolarHBondContact OE1-CB 3.45Å; E868-N873 PolarHBondContact OE1-ND2 3.31Å; E868-N873 VanDerWaalsContact OE1-ND2 3.12Å; D870-N873 HydrophobicContact CB-CB 4.02Å; D870-N873 PolarHBondContact O-N 3.09Å; D870-N873 VanDerWaalsContact OD2-CG 3.3Å; D870-N873 PolarHBondContact OD2-N 3.42Å; D870-N873 PolarHBondContact OD2-OD1 2.98Å; N873-M876 PolarHBondContact O-N 3.27Å; N873-L877 WeakPolarHBondContact O-CG 3.47Å; N873-L877 PolarHBondContact O-N 3.25Å |
| 874 | T | 94.2 | Very high | 93 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 3% | 0.025 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 176 | -53.2 | 0 | 0 | 0 | 0 | 111.7 | L865 E868 D870 Q872 M876 L877 L878 W1006 V1012 | L865-T874 HydrophobicContact CD1-CG2 3.89Å; E868-T874 WeakPolarHBondContact CG-OG1 3.46Å; D870-T874 WeakPolarHBondContact O-CB 3.36Å; D870-T874 PolarHBondContact O-N 3.37Å; D870-T874 PolarHBondContact O-OG1 2.79Å; Q872-T874 VanDerWaalsContact C-N 3.29Å; Q872-T874 PolarHBondContact O-N 3.36Å; T874-M876 VanDerWaalsContact C-N 3.33Å; T874-M876 PolarHBondContact O-N 3.26Å; T874-L877 PolarHBondContact O-N 3.38Å; T874-L878 HydrophobicContact CG2-CD1 4.26Å; T874-L878 VanDerWaalsContact O-CG 3.32Å; T874-L878 WeakPolarHBondContact O-CG 3.25Å; T874-L878 PolarHBondContact O-N 3.11Å; T874-W1006 HydrophobicContact CG2-CZ2 3.78Å; T874-V1012 HydrophobicContact CG2-CG1 3.56Å; T874-V1012 HydrophobicContact CG2-CG2 4.31Å |
| 875 | H | 91.5 | Very high | 93 | Very high | 23 Ų | 23 | 21.4 Ų | 21.4 | 11% | 0.106 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 174.4 | -175.1 | -70.5 | 0 | 0 | 0 | 112.1 | A871 Q872 L878 G879 F1655 R1684 | A871-H875 WeakPolarHBondContact O-CB 3.07Å; A871-H875 PolarHBondContact O-N 2.98Å; Q872-H875 WeakPolarHBondContact O-CB 3.24Å; Q872-H875 PolarHBondContact O-N 2.83Å; H875-L878 PolarHBondContact O-N 2.99Å; H875-G879 PolarHBondContact O-N 3.4Å; H875-G879 VanDerWaalsContact O-N 3.09Å; H875-F1655 PolarHBondContact NE2-O 3.27Å; H875-R1684 PolarHBondContact NE2-NH2 2.9Å |
| 876 | M | 93.1 | Very high | 92.9 | Very high | 11 Ų | 11 | 21.7 Ų | 21.7 | 5% | 0.054 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 176.5 | -66.2 | 173 | 66.2 | 0 | 0 | 112.2 | R815 I818 L822 Q872 N873 T874 G879 G880 V1660 | R815-M876 HydrophobicContact CG-CE 4.09Å; R815-M876 HydrophobicContact CG-SD 3.75Å; I818-M876 HydrophobicContact CG2-CB 3.84Å; I818-M876 HydrophobicContact CG2-CE 4.09Å; L822-M876 HydrophobicContact CD1-CB 4.19Å; L822-M876 HydrophobicContact CD1-CE 4.3Å; Q872-M876 HydrophobicContact CG-SD 4.35Å; Q872-M876 VanDerWaalsContact O-CG 3.3Å; Q872-M876 WeakPolarHBondContact O-CG 3.43Å; Q872-M876 PolarHBondContact O-N 2.83Å; N873-M876 PolarHBondContact O-N 3.27Å; T874-M876 VanDerWaalsContact C-N 3.33Å; T874-M876 PolarHBondContact O-N 3.26Å; M876-G879 PolarHBondContact O-N 3.35Å; M876-G880 PolarHBondContact O-N 2.99Å; M876-V1660 HydrophobicContact CB-CG1 4.09Å; M876-V1660 HydrophobicContact CB-CG2 4.5Å; M876-V1660 HydrophobicContact CE-CG1 4.02Å; M876-V1660 HydrophobicContact CG-CG1 3.68Å |
| 877 | L | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.2 | -38.3 | 177 | -72.6 | 165.9 | 0 | 0 | 0 | 112.5 | I818 L821 L861 A864 L865 E868 N873 T874 G880 L881 | I818-L877 HydrophobicContact CD1-CD1 3.94Å; I818-L877 HydrophobicContact CD1-CD2 4.31Å; I818-L877 HydrophobicContact CD1-CG 3.95Å; I818-L877 HydrophobicContact CG1-CD1 4.49Å; I818-L877 HydrophobicContact CG1-CD2 3.99Å; I818-L877 HydrophobicContact CG1-CG 4.17Å; I818-L877 HydrophobicContact CG2-CD2 4.09Å; I818-L877 HydrophobicContact CG2-CG 4.19Å; L821-L877 HydrophobicContact CD2-CD2 4.48Å; L861-L877 HydrophobicContact CD1-CD2 3.69Å; A864-L877 HydrophobicContact CB-CD1 3.92Å; A864-L877 HydrophobicContact CB-CD2 3.77Å; L865-L877 HydrophobicContact CB-CB 4.44Å; L865-L877 HydrophobicContact CD1-CB 3.91Å; E868-L877 HydrophobicContact CB-CD1 3.95Å; E868-L877 HydrophobicContact CG-CD1 4.07Å; N873-L877 WeakPolarHBondContact O-CG 3.47Å; N873-L877 PolarHBondContact O-N 3.25Å; T874-L877 PolarHBondContact O-N 3.38Å; L877-G880 PolarHBondContact O-N 3.21Å; L877-L881 WeakPolarHBondContact O-CB 3.46Å; L877-L881 PolarHBondContact O-N 3.44Å |
| 878 | L | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.8 | -42.4 | 173.4 | -69.9 | 166.3 | 0 | 0 | 0 | 111.6 | L865 T874 H875 G880 L881 L882 V998 W1006 V1012 A1015 A1016 L1019 T1657 | L865-L878 HydrophobicContact CD1-CD2 4.07Å; L865-L878 HydrophobicContact CD1-CG 4.05Å; L865-L878 HydrophobicContact CD2-CD2 4.01Å; T874-L878 HydrophobicContact CG2-CD1 4.26Å; T874-L878 VanDerWaalsContact O-CG 3.32Å; T874-L878 WeakPolarHBondContact O-CG 3.25Å; T874-L878 PolarHBondContact O-N 3.11Å; H875-L878 PolarHBondContact O-N 2.99Å; L878-G880 PolarHBondContact O-N 3.15Å; L878-L881 PolarHBondContact O-N 3.23Å; L878-L882 PolarHBondContact O-N 2.7Å; L878-L882 VanDerWaalsContact O-N 3.12Å; L878-V998 HydrophobicContact CD2-CG1 4.47Å; L878-V998 HydrophobicContact CD2-CG2 3.89Å; L878-W1006 HydrophobicContact CD2-CH2 4.02Å; L878-W1006 HydrophobicContact CD2-CZ3 4.07Å; L878-V1012 HydrophobicContact CD1-CG1 4.26Å; L878-A1015 HydrophobicContact CD1-CB 3.78Å; L878-A1016 HydrophobicContact CD1-CB 4.4Å; L878-L1019 HydrophobicContact CB-CD1 4.07Å; L878-L1019 HydrophobicContact CD2-CD1 3.68Å; L878-L1019 VanDerWaalsContact O-CD1 3.32Å; L878-L1019 WeakPolarHBondContact O-CD1 3.39Å; L878-T1657 HydrophobicContact CB-CG2 4.42Å |
| 879 | G | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58 | -45.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H875 M876 L881 L882 L883 P1658 | H875-G879 PolarHBondContact O-N 3.4Å; H875-G879 VanDerWaalsContact O-N 3.09Å; M876-G879 PolarHBondContact O-N 3.35Å; G879-L881 PolarHBondContact O-N 2.95Å; G879-L882 PolarHBondContact O-N 3.33Å; G879-L883 PolarHBondContact O-N 2.96Å; G879-P1658 WeakPolarHBondContact CA-O 3Å |
| 880 | G | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.1 | -40.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | M825 M876 L877 L878 L883 C884 | M825-G880 WeakPolarHBondContact CE-O 3.25Å; M876-G880 PolarHBondContact O-N 2.99Å; L877-G880 PolarHBondContact O-N 3.21Å; L878-G880 PolarHBondContact O-N 3.15Å; G880-L883 WeakPolarHBondContact O-CB 3.49Å; G880-L883 PolarHBondContact O-N 3.41Å; G880-C884 WeakPolarHBondContact O-CB 3.48Å; G880-C884 PolarHBondContact O-N 3.16Å |
| 881 | L | 95.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 178.7 | -178 | 58.1 | 0 | 0 | 0 | 111.3 | M858 L861 M862 L865 L877 L878 G879 C884 V885 A994 V998 L1019 | M858-L881 HydrophobicContact SD-CD1 4.33Å; L861-L881 HydrophobicContact CD2-CB 4.02Å; L861-L881 HydrophobicContact CD2-CD1 3.97Å; M862-L881 HydrophobicContact SD-CD1 3.67Å; M862-L881 HydrophobicContact SD-CD2 4.14Å; L865-L881 HydrophobicContact CD2-CD2 3.72Å; L877-L881 WeakPolarHBondContact O-CB 3.46Å; L877-L881 PolarHBondContact O-N 3.44Å; L878-L881 PolarHBondContact O-N 3.23Å; G879-L881 PolarHBondContact O-N 2.95Å; L881-C884 PolarHBondContact O-N 3.46Å; L881-V885 HydrophobicContact CD1-CG2 4.41Å; L881-V885 WeakPolarHBondContact O-CG2 3.29Å; L881-V885 PolarHBondContact O-N 3.2Å; L881-V885 VanDerWaalsContact O-N 3.12Å; L881-A994 HydrophobicContact CD1-CB 3.92Å; L881-A994 HydrophobicContact CD2-CB 3.96Å; L881-A994 HydrophobicContact CG-CB 4.02Å; L881-V998 HydrophobicContact CD2-CG2 3.87Å; L881-L1019 HydrophobicContact CB-CD1 4.05Å; L881-L1019 HydrophobicContact CD2-CD1 3.98Å; L881-L1019 HydrophobicContact CG-CD1 4.14Å |
| 882 | L | 94.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.005 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 175.9 | -175.8 | 51.6 | 0 | 0 | 0 | 112.2 | L878 G879 C884 Q886 L1019 L1023 P1658 | L878-L882 PolarHBondContact O-N 2.7Å; L878-L882 VanDerWaalsContact O-N 3.12Å; G879-L882 PolarHBondContact O-N 3.33Å; L882-C884 VanDerWaalsContact C-N 3.32Å; L882-C884 PolarHBondContact O-N 2.7Å; L882-Q886 WeakPolarHBondContact O-CB 3.45Å; L882-Q886 PolarHBondContact O-N 3.41Å; L882-L1019 HydrophobicContact CB-CD1 4.44Å; L882-L1019 HydrophobicContact CB-CG 4.24Å; L882-L1023 HydrophobicContact CD1-CD2 4.03Å; L882-L1023 HydrophobicContact CD1-CG 4.46Å; L882-P1658 HydrophobicContact CB-CB 4.3Å; L882-P1658 HydrophobicContact CD2-CB 3.9Å; L882-P1658 HydrophobicContact CD2-CG 4.32Å; L882-P1658 HydrophobicContact CG-CB 4.13Å |
| 883 | L | 94.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -53.6 | -47.7 | 171.4 | 164.8 | 63.9 | 0 | 0 | 0 | 111.6 | V826 G879 G880 D887 M1663 L1665 V1669 L1673 | V826-L883 HydrophobicContact CG1-CD1 3.98Å; V826-L883 HydrophobicContact CG1-CD2 4.09Å; V826-L883 HydrophobicContact CG1-CG 4.31Å; G879-L883 PolarHBondContact O-N 2.96Å; G880-L883 WeakPolarHBondContact O-CB 3.49Å; G880-L883 PolarHBondContact O-N 3.41Å; L883-D887 VanDerWaalsContact O-CB 3.28Å; L883-D887 WeakPolarHBondContact O-CB 3.13Å; L883-D887 PolarHBondContact O-N 3.05Å; L883-M1663 HydrophobicContact CB-CE 4.15Å; L883-M1663 HydrophobicContact CB-SD 4.43Å; L883-M1663 HydrophobicContact CD2-CE 3.98Å; L883-M1663 HydrophobicContact CD2-CG 3.88Å; L883-M1663 HydrophobicContact CD2-SD 3.7Å; L883-L1665 HydrophobicContact CD1-CD2 3.97Å; L883-L1665 HydrophobicContact CD2-CD2 4.39Å; L883-V1669 HydrophobicContact CD1-CG2 4.06Å; L883-L1673 HydrophobicContact CD1-CD1 3.63Å |
| 884 | C | 93.4 | Very high | 91.7 | Very high | 14 Ų | 14 | 16.4 Ų | 16.4 | 10% | 0.095 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -71.1 | -40.1 | -173.8 | -157.9 | 0 | 0 | 0 | 0 | 113.1 | M825 M858 G880 L881 L882 A888 | M825-C884 HydrophobicContact CE-CB 3.61Å; M858-C884 HydrophobicContact CE-CB 3.76Å; M858-C884 WeakPolarHBondContact CE-SG 3.05Å; G880-C884 WeakPolarHBondContact O-CB 3.48Å; G880-C884 PolarHBondContact O-N 3.16Å; L881-C884 PolarHBondContact O-N 3.46Å; L882-C884 VanDerWaalsContact C-N 3.32Å; L882-C884 PolarHBondContact O-N 2.7Å; C884-A888 WeakPolarHBondContact O-CB 3.35Å; C884-A888 PolarHBondContact O-N 2.73Å |
| 885 | V | 93.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.8 | -43.5 | 175 | -169 | 0 | 0 | 0 | 0 | 110.5 | L881 D887 A888 V889 L990 F991 A994 L1023 L1026 | L881-V885 HydrophobicContact CD1-CG2 4.41Å; L881-V885 WeakPolarHBondContact O-CG2 3.29Å; L881-V885 PolarHBondContact O-N 3.2Å; L881-V885 VanDerWaalsContact O-N 3.12Å; V885-D887 PolarHBondContact O-N 3.25Å; V885-A888 PolarHBondContact O-N 2.76Å; V885-V889 HydrophobicContact CG1-CG2 4.43Å; V885-V889 WeakPolarHBondContact O-CG2 3.36Å; V885-V889 PolarHBondContact O-N 3.08Å; V885-L990 HydrophobicContact CG2-CB 4.16Å; V885-F991 HydrophobicContact CG1-CB 4.06Å; V885-A994 HydrophobicContact CG2-CB 4.09Å; V885-L1023 HydrophobicContact CB-CD2 3.98Å; V885-L1023 HydrophobicContact CG1-CD2 3.96Å; V885-L1023 HydrophobicContact CG2-CD2 4.16Å; V885-L1026 HydrophobicContact CB-CD1 4.1Å; V885-L1026 HydrophobicContact CG1-CD1 3.55Å |
| 886 | Q | 93.1 | Very high | 88.9 | Confident | 8 Ų | 8 | 25.8 Ų | 25.8 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 176.7 | 177.4 | 72 | 84.9 | 0 | 0 | 112.2 | L882 T890 L1026 V1669 N1672 L1673 | L882-Q886 WeakPolarHBondContact O-CB 3.45Å; L882-Q886 PolarHBondContact O-N 3.41Å; Q886-T890 PolarHBondContact NE2-OG1 3.42Å; Q886-T890 VanDerWaalsContact NE2-OG1 3.08Å; Q886-T890 WeakPolarHBondContact O-CB 3.22Å; Q886-T890 PolarHBondContact O-N 3.05Å; Q886-T890 PolarHBondContact O-OG1 3.21Å; Q886-L1026 HydrophobicContact CB-CD2 4.24Å; Q886-L1026 VanDerWaalsContact CD-CD2 3.47Å; Q886-L1026 HydrophobicContact CG-CD2 4.45Å; Q886-V1669 HydrophobicContact CG-CB 4.1Å; Q886-V1669 HydrophobicContact CG-CG1 3.77Å; Q886-N1672 PolarHBondContact NE2-ND2 2.73Å; Q886-L1673 HydrophobicContact CB-CD2 4.29Å; Q886-L1673 HydrophobicContact CG-CD2 4.05Å |
| 887 | D | 92.8 | Very high | 86.8 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.011 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72.1 | -31.2 | -179.6 | -164.9 | 56.7 | 0 | 0 | 0 | 112.5 | L883 V885 F891 S1666 R1668 V1669 | L883-D887 VanDerWaalsContact O-CB 3.28Å; L883-D887 WeakPolarHBondContact O-CB 3.13Å; L883-D887 PolarHBondContact O-N 3.05Å; V885-D887 PolarHBondContact O-N 3.25Å; D887-F891 WeakPolarHBondContact O-CB 3.4Å; D887-F891 PolarHBondContact O-N 3.26Å; D887-S1666 VanDerWaalsContact OD1-CB 3.25Å; D887-S1666 WeakPolarHBondContact OD1-CB 3.47Å; D887-R1668 VanDerWaalsContact CG-NH2 3.27Å; D887-R1668 IonicContact OD1-CZ 2.69Å; D887-R1668 IonicContact OD1-NE 3.18Å; D887-R1668 PolarHBondContact OD1-NE 3.14Å; D887-R1668 IonicContact OD1-NH2 2.79Å; D887-R1668 PolarHBondContact OD1-NH2 3.13Å; D887-R1668 VanDerWaalsContact OD1-NH2 3.08Å; D887-R1668 IonicContact OD2-CZ 2.7Å; D887-R1668 IonicContact OD2-NE 2.73Å; D887-R1668 IonicContact OD2-NH2 2.77Å; D887-R1668 PolarHBondContact OD2-NH2 3.37Å; D887-V1669 HydrophobicContact CB-CG1 3.92Å; D887-V1669 WeakPolarHBondContact OD1-CG1 3.37Å |
| 888 | A | 91.8 | Very high | 84 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.8 | -47.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L829 C884 V885 F891 E892 A987 L990 | L829-A888 HydrophobicContact CD1-CB 4.15Å; C884-A888 WeakPolarHBondContact O-CB 3.35Å; C884-A888 PolarHBondContact O-N 2.73Å; V885-A888 PolarHBondContact O-N 2.76Å; A888-F891 PolarHBondContact O-N 3.06Å; A888-E892 WeakPolarHBondContact O-CG 3.26Å; A888-E892 PolarHBondContact O-N 2.97Å; A888-A987 HydrophobicContact CB-CB 3.86Å; A888-L990 HydrophobicContact CB-CD1 3.88Å |
| 889 | V | 91.3 | Very high | 80.9 | Confident | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.4 | -53.2 | 177.2 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | V885 F891 E892 E893 A987 L1026 I1028 | V885-V889 HydrophobicContact CG1-CG2 4.43Å; V885-V889 WeakPolarHBondContact O-CG2 3.36Å; V885-V889 PolarHBondContact O-N 3.08Å; V889-F891 VanDerWaalsContact C-N 3.27Å; V889-F891 PolarHBondContact O-N 3.4Å; V889-E892 PolarHBondContact O-N 3.28Å; V889-E892 VanDerWaalsContact O-N 3.12Å; V889-E893 HydrophobicContact CG1-CG 4.37Å; V889-E893 WeakPolarHBondContact O-CG 3.44Å; V889-E893 PolarHBondContact O-N 3.04Å; V889-A987 HydrophobicContact CB-CB 4.44Å; V889-A987 HydrophobicContact CG2-CB 3.7Å; V889-L1026 HydrophobicContact CG2-CB 4.35Å; V889-L1026 HydrophobicContact CG2-CD1 4.27Å; V889-I1028 HydrophobicContact CG2-CD1 4.22Å; V889-I1028 HydrophobicContact CG2-CG1 3.89Å |
| 890 | T | 90.1 | Very high | 77.9 | Confident | 15 Ų | 15 | 41.4 Ų | 41.4 | 9% | 0.092 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.6 | -22.3 | -176.2 | -59 | 0 | 0 | 0 | 0 | 113.3 | Q886 E893 T894 R1668 | Q886-T890 PolarHBondContact NE2-OG1 3.42Å; Q886-T890 VanDerWaalsContact NE2-OG1 3.08Å; Q886-T890 WeakPolarHBondContact O-CB 3.22Å; Q886-T890 PolarHBondContact O-N 3.05Å; Q886-T890 PolarHBondContact O-OG1 3.21Å; T890-E893 VanDerWaalsContact CA-OE2 3.27Å; T890-E893 WeakPolarHBondContact CA-OE2 3.45Å; T890-E893 PolarHBondContact OG1-OE2 2.97Å; T890-T894 WeakPolarHBondContact O-CB 3.37Å; T890-T894 PolarHBondContact O-N 3.15Å; T890-T894 PolarHBondContact O-OG1 3.43Å; T890-R1668 HydrophobicContact CG2-CB 4.04Å; T890-R1668 HydrophobicContact CG2-CG 3.99Å |
| 891 | F | 89 | Confident | 74.9 | Confident | 24 Ų | 24 | 45.8 Ų | 45.8 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.1 | -50 | 166.5 | 177.3 | -112.6 | 0 | 0 | 0 | 112.3 | L829 Q832 D887 A888 V889 E893 T894 E895 | L829-F891 HydrophobicContact CD1-CB 4.42Å; L829-F891 HydrophobicContact CD2-CD1 3.83Å; L829-F891 HydrophobicContact CD2-CE1 4.15Å; L829-F891 HydrophobicContact CD2-CG 4.36Å; Q832-F891 HydrophobicContact CG-CE2 4.45Å; Q832-F891 HydrophobicContact CG-CZ 4.3Å; Q832-F891 VanDerWaalsContact NE2-CE2 3.3Å; D887-F891 WeakPolarHBondContact O-CB 3.4Å; D887-F891 PolarHBondContact O-N 3.26Å; A888-F891 PolarHBondContact O-N 3.06Å; V889-F891 VanDerWaalsContact C-N 3.27Å; V889-F891 PolarHBondContact O-N 3.4Å; F891-E893 VanDerWaalsContact C-N 3.31Å; F891-E893 PolarHBondContact O-N 2.93Å; F891-T894 PolarHBondContact O-N 3.37Å; F891-E895 HydrophobicContact CD2-CG 4.09Å; F891-E895 HydrophobicContact CE1-CG 4.05Å; F891-E895 HydrophobicContact CE2-CG 3.5Å; F891-E895 VanDerWaalsContact CE2-CG 3.5Å; F891-E895 HydrophobicContact CZ-CG 3.48Å; F891-E895 VanDerWaalsContact CZ-CG 3.48Å; F891-E895 PolarHBondContact O-N 3.48Å |
| 892 | E | 86.7 | Confident | 71.6 | Confident | 64 Ų | 64 | 53.2 Ų | 53.2 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.9 | -34 | 179.4 | -71 | 171.6 | -157.6 | 0 | 0 | 112 | K854 A888 V889 L896 A987 | K854-E892 IonicContact NZ-OE1 3.68Å; A888-E892 WeakPolarHBondContact O-CG 3.26Å; A888-E892 PolarHBondContact O-N 2.97Å; V889-E892 PolarHBondContact O-N 3.28Å; V889-E892 VanDerWaalsContact O-N 3.12Å; E892-L896 WeakPolarHBondContact O-CD1 3.28Å; E892-L896 WeakPolarHBondContact O-CG 3.12Å; E892-A987 WeakPolarHBondContact OE1-CB 3.29Å; E892-A987 PolarHBondContact OE1-N 3.2Å; E892-A987 VanDerWaalsContact OE2-CB 3.29Å; E892-A987 WeakPolarHBondContact OE2-CB 3.46Å; E892-A987 PolarHBondContact OE2-N 3.45Å |
| 893 | E | 82.4 | Confident | 68.5 | Low | 82 Ų | 82 | 61.1 Ų | 61.1 | 38% | 0.383 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 169.2 | -71.1 | 175.3 | 133 | 0 | 0 | 112.4 | V889 T890 F891 G897 | V889-E893 HydrophobicContact CG1-CG 4.37Å; V889-E893 WeakPolarHBondContact O-CG 3.44Å; V889-E893 PolarHBondContact O-N 3.04Å; T890-E893 VanDerWaalsContact CA-OE2 3.27Å; T890-E893 WeakPolarHBondContact CA-OE2 3.45Å; T890-E893 PolarHBondContact OG1-OE2 2.97Å; F891-E893 VanDerWaalsContact C-N 3.31Å; F891-E893 PolarHBondContact O-N 2.93Å; E893-G897 PolarHBondContact O-N 3.22Å |
| 894 | T | 78.9 | Confident | 65.4 | Low | 88 Ų | 88 | 66.8 Ų | 66.8 | 54% | 0.54 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -73.1 | -47.2 | -173.4 | -57.3 | 0 | 0 | 0 | 0 | 112.4 | T890 F891 L896 G897 G898 | T890-T894 WeakPolarHBondContact O-CB 3.37Å; T890-T894 PolarHBondContact O-N 3.15Å; T890-T894 PolarHBondContact O-OG1 3.43Å; F891-T894 PolarHBondContact O-N 3.37Å; T894-L896 VanDerWaalsContact C-N 3.34Å; T894-L896 PolarHBondContact O-N 2.6Å; T894-G897 PolarHBondContact O-N 3.31Å; T894-G898 PolarHBondContact O-N 2.79Å |
| 895 | E | 70.7 | Confident | 62.2 | Low | 111 Ų | 111 | 75.7 Ų | 75.7 | 52% | 0.519 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.5 | -45.3 | -178.7 | -69.4 | -118.8 | 118.2 | 0 | 0 | 111.7 | F891 G897 G898 | F891-E895 HydrophobicContact CD2-CG 4.09Å; F891-E895 HydrophobicContact CE1-CG 4.05Å; F891-E895 HydrophobicContact CE2-CG 3.5Å; F891-E895 VanDerWaalsContact CE2-CG 3.5Å; F891-E895 HydrophobicContact CZ-CG 3.48Å; F891-E895 VanDerWaalsContact CZ-CG 3.48Å; F891-E895 PolarHBondContact O-N 3.48Å; E895-G897 PolarHBondContact O-N 3.06Å; E895-G898 PolarHBondContact O-N 3.5Å; E895-G898 VanDerWaalsContact O-N 3.16Å |
| 896 | L | 56.1 | Low | 59 | Low | 113 Ų | 113 | 83.3 Ų | 83.3 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -72.2 | -13.3 | -177.1 | -67 | 170 | 0 | 0 | 0 | 113.2 | E892 T894 | E892-L896 WeakPolarHBondContact O-CD1 3.28Å; E892-L896 WeakPolarHBondContact O-CG 3.12Å; T894-L896 VanDerWaalsContact C-N 3.34Å; T894-L896 PolarHBondContact O-N 2.6Å |
| 897 | G | 48 | Very low | 56 | Low | 55 Ų | 55 | 88.5 Ų | 88.5 | 57% | 0.567 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -82.5 | -27.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114 | E893 T894 E895 G899 | E893-G897 PolarHBondContact O-N 3.22Å; T894-G897 PolarHBondContact O-N 3.31Å; E895-G897 PolarHBondContact O-N 3.06Å; G897-G899 PolarHBondContact O-N 3.18Å |
| 898 | G | 38 | Very low | 52.8 | Low | 56 Ų | 56 | 94.7 Ų | 94.7 | 58% | 0.577 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -73.6 | -20.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | T894 E895 N900 | T894-G898 PolarHBondContact O-N 2.79Å; E895-G898 PolarHBondContact O-N 3.5Å; E895-G898 VanDerWaalsContact O-N 3.16Å; G898-N900 PolarHBondContact O-N 3.18Å |
| 899 | G | 31.1 | Very low | 49.7 | Very low | 66 Ų | 66 | 97.8 Ų | 97.8 | 68% | 0.68 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -20.3 | -164.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | G897 | G897-G899 PolarHBondContact O-N 3.18Š|
| 900 | N | 30.6 | Very low | 46.7 | Very low | 162 Ų | 162 | 104.3 Ų | 104.3 | 87% | 0.866 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.5 | 6 | -167.8 | -90.1 | -11.2 | 0 | 0 | 0 | 115.6 | G898 N902 | G898-N900 PolarHBondContact O-N 3.18Å; N900-N902 PolarHBondContact O-N 3.46Å |
| 901 | A | 31.1 | Very low | 43.6 | Very low | 92 Ų | 92 | 112.2 Ų | 112.2 | 76% | 0.76 | 68% | 0.684 | S | S | * | * | trans | -78.5 | 29.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 902 | N | 27.1 | Very low | 40.6 | Very low | 156 Ų | 156 | 118.7 Ų | 118.7 | 83% | 0.834 | 71% | 0.714 | S | S | * | * | trans | -125.6 | 26.3 | -167.5 | -126 | -9.6 | 0 | 0 | 0 | 115.5 | N900 | N900-N902 PolarHBondContact O-N 3.46Š| ||
| 903 | L | 28.5 | Very low | 37.7 | Very low | 168 Ų | 168 | 124.7 Ų | 124.7 | 88% | 0.88 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -149.8 | 67.5 | 176 | -117.1 | 129.7 | 0 | 0 | 0 | 113.5 | ||
| 904 | S | 29.4 | Very low | 34.9 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | 169.9 | 69.5 | 147.1 | 42.8 | 0 | 0 | 0 | 0 | 114.6 | N906 | S904-N906 PolarHBondContact O-N 2.59Å; S904-N906 VanDerWaalsContact O-N 3.16Å | ||
| 905 | Q | 25.8 | Very low | 32.5 | Very low | 200 Ų | 200 | 127 Ų | 127 | 94% | 0.935 | 76% | 0.764 | S | S | * | * | trans | -79.7 | 86.9 | 158.5 | -82 | -169 | -18.7 | 0 | 0 | 110.3 | ||||
| 906 | N | 27.5 | Very low | 30.4 | Very low | 160 Ų | 160 | 128.8 Ų | 128.8 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | trans | -171.4 | 89.1 | 153 | -113.4 | -14.2 | 0 | 0 | 0 | 113.9 | S904 | S904-N906 PolarHBondContact O-N 2.59Å; S904-N906 VanDerWaalsContact O-N 3.16Å | ||
| 907 | S | 29.5 | Very low | 29.1 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 178.9 | 123.6 | 130.2 | 52.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 908 | S | 24.8 | Very low | 28 | Very low | 133 Ų | 133 | 135 Ų | 135 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -80 | 117.1 | 160.7 | 37.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 909 | G | 27.7 | Very low | 27.5 | Very low | 65 Ų | 65 | 137.5 Ų | 137.5 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | trans | -164.4 | 110.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q911 | G909-Q911 PolarHBondContact O-N 3.49Š| ||
| 910 | V | 27.6 | Very low | 27.4 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -72.4 | 115.7 | 165.8 | 176.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 911 | Q | 25 | Very low | 27.1 | Very low | 181 Ų | 181 | 134.7 Ų | 134.7 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -131.7 | 129.5 | 167.8 | -70.9 | -165.1 | -30.9 | 0 | 0 | 109.6 | G909 | G909-Q911 PolarHBondContact O-N 3.49Š| ||
| 912 | H | 25.4 | Very low | 26.9 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 75% | 0.745 | 78% | 0.778 | S | S | * | * | trans | -66.1 | 141.5 | 171.7 | -81.5 | -123.2 | 0 | 0 | 0 | 109.8 | D914 | H912-D914 VanDerWaalsContact C-N 3.33Å; H912-D914 PolarHBondContact O-N 3.15Å; H912-D914 VanDerWaalsContact O-N 3.1Å | ||
| 913 | H | 26.8 | Very low | 26.9 | Very low | 190 Ų | 190 | 131.2 Ų | 131.2 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | trans | -78.6 | 85.9 | 163.8 | -107.1 | -77.9 | 0 | 0 | 0 | 109 | A915 | H913-A915 PolarHBondContact O-N 3.03Š| ||
| 914 | D | 23.2 | Very low | 26.7 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | -70.1 | 77.4 | 168.6 | -77 | -36.9 | 0 | 0 | 0 | 110.1 | H912 N916 | H912-D914 VanDerWaalsContact C-N 3.33Å; H912-D914 PolarHBondContact O-N 3.15Å; H912-D914 VanDerWaalsContact O-N 3.1Å; D914-N916 VanDerWaalsContact C-N 3.33Å; D914-N916 PolarHBondContact O-N 3.19Å | ||
| 915 | A | 29.4 | Very low | 26.5 | Very low | 72 Ų | 72 | 137.6 Ų | 137.6 | 60% | 0.595 | 78% | 0.776 | S | S | * | * | trans | -73.1 | 85.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110 | H913 L917 | H913-A915 PolarHBondContact O-N 3.03Å; A915-L917 HydrophobicContact CB-CD1 4.45Å; A915-L917 PolarHBondContact O-N 3Å | ||
| 916 | N | 26 | Very low | 26.5 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -72.2 | 69.6 | -176.2 | -165 | -4.9 | 0 | 0 | 0 | 112.7 | D914 L918 | D914-N916 VanDerWaalsContact C-N 3.33Å; D914-N916 PolarHBondContact O-N 3.19Å; N916-L918 PolarHBondContact O-N 3.05Å; N916-L918 VanDerWaalsContact O-N 3.17Å | ||
| 917 | L | 29.1 | Very low | 26.4 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | trans | -88 | 60.6 | -174 | -76.2 | 170.7 | 0 | 0 | 0 | 113.2 | A915 | A915-L917 HydrophobicContact CB-CD1 4.45Å; A915-L917 PolarHBondContact O-N 3Å | ||
| 918 | L | 24.6 | Very low | 26.2 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -123.3 | 68.7 | 170.3 | -72.5 | 178.6 | 0 | 0 | 0 | 112.2 | N916 | N916-L918 PolarHBondContact O-N 3.05Å; N916-L918 VanDerWaalsContact O-N 3.17Å | ||
| 919 | S | 28 | Very low | 26.1 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -148.6 | 101.8 | 165.2 | -163.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 920 | S | 28.2 | Very low | 26.2 | Very low | 84 Ų | 84 | 136.1 Ų | 136.1 | 59% | 0.587 | 78% | 0.776 | S | S | * | * | trans | 21.7 | 115.9 | 155.2 | 60.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 921 | A | 24.5 | Very low | 26.1 | Very low | 85 Ų | 85 | 134.8 Ų | 134.8 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | trans | -60.9 | 133.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 922 | C | 27.3 | Very low | 26.3 | Very low | 67 Ų | 67 | 131 Ų | 131 | 45% | 0.453 | 77% | 0.772 | S | S | . | * | trans | 169.4 | 103.6 | 139.4 | -94.4 | 0 | 0 | 0 | 0 | 111.1 | R1237 S1238 | C922-R1237 HydrophobicContact CB-CB 4.36Å; C922-S1238 WeakPolarHBondContact O-CB 3.45Å | ||
| 923 | S | 27.2 | Very low | 26.4 | Very low | 108 Ų | 108 | 127 Ų | 127 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -162.5 | 76.7 | 155.2 | -172.7 | 0 | 0 | 0 | 0 | 113.4 | R925 | S923-R925 PolarHBondContact O-N 3.04Å; S923-R925 VanDerWaalsContact O-N 3.13Å | ||
| 924 | E | 24.4 | Very low | 26.5 | Very low | 191 Ų | 191 | 124.7 Ų | 124.7 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -71.1 | 100.4 | 159.7 | -69.8 | -173.4 | 138.8 | 0 | 0 | 110.1 | ||||
| 925 | R | 24.2 | Very low | 26.9 | Very low | 231 Ų | 231 | 122.8 Ų | 122.8 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | 174.5 | 103.3 | 153.9 | -100.6 | 158.5 | -173.7 | -140 | -1.2 | 110.6 | S923 | S923-R925 PolarHBondContact O-N 3.04Å; S923-R925 VanDerWaalsContact O-N 3.13Å | ||
| 926 | S | 27.2 | Very low | 27 | Very low | 133 Ų | 133 | 124.5 Ų | 124.5 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -177.5 | 82.2 | 147.5 | -94.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 927 | A | 24.4 | Very low | 27.2 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -99 | 143.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 928 | S | 24.3 | Very low | 27.2 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 88.2 | 139.3 | -178.7 | 82.4 | 0 | 0 | 0 | 0 | 117.9 | ||
| 929 | L | 24.3 | Very low | 27.4 | Very low | 160 Ų | 160 | 119.4 Ų | 119.4 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | 60.4 | 94.2 | 157 | -60.5 | 163.8 | 0 | 0 | 0 | 118.6 | ||||
| 930 | V | 28.6 | Very low | 27.4 | Very low | 150 Ų | 150 | 123.3 Ų | 123.3 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | -159.4 | 151 | 96.3 | -93.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 931 | S | 26.4 | Very low | 27.5 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 152.9 | 176.7 | -46.8 | 0 | 0 | 0 | 0 | 113.9 | G933 | S931-G933 PolarHBondContact O-N 2.93Š|
| 932 | A | 28.8 | Very low | 27.7 | Very low | 101 Ų | 101 | 129 Ų | 129 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 116.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 933 | G | 28.2 | Very low | 28.1 | Very low | 77 Ų | 77 | 130.2 Ų | 130.2 | 79% | 0.794 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 119.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | S931 | S931-G933 PolarHBondContact O-N 2.93Š|
| 934 | T | 27.8 | Very low | 28.4 | Very low | 142 Ų | 142 | 131 Ų | 131 | 87% | 0.871 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 128.4 | 175.5 | 38.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 935 | A | 31.6 | Very low | 28.6 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 88% | 0.884 | 84% | 0.844 | S | S | * | * | trans | -106.7 | 103.5 | 167 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 936 | S | 31.1 | Very low | 29 | Very low | 107 Ų | 107 | 123 Ų | 123 | 75% | 0.748 | 84% | 0.836 | S | S | * | * | trans | -106.6 | 134.3 | 170.6 | 54.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 937 | L | 32.1 | Very low | 29.1 | Very low | 177 Ų | 177 | 121.8 Ų | 121.8 | 93% | 0.927 | 83% | 0.834 | S | S | * | * | trans | -81.1 | 142.9 | 153.3 | -100.7 | 67.1 | 0 | 0 | 0 | 108.2 | ||||
| 938 | G | 28.5 | Very low | 29.4 | Very low | 85 Ų | 85 | 121 Ų | 121 | 88% | 0.876 | 84% | 0.835 | S | S | * | * | trans | -83 | 146.5 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 939 | G | 29 | Very low | 29.6 | Very low | 78 Ų | 78 | 122.5 Ų | 122.5 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | trans | -141.6 | 134.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 940 | Q | 26.5 | Very low | 29.8 | Very low | 191 Ų | 191 | 118.6 Ų | 118.6 | 89% | 0.893 | 84% | 0.844 | S | S | * | * | trans | -94.3 | 137.5 | -168.5 | -64.3 | 174.1 | -16.9 | 0 | 0 | 113 | ||||
| 941 | T | 31.6 | Very low | 29.8 | Very low | 148 Ų | 148 | 116.9 Ų | 116.9 | 91% | 0.908 | 84% | 0.838 | S | S | * | * | trans | -169.3 | 165.5 | 138.5 | 10.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 942 | T | 29.1 | Very low | 30.1 | Very low | 139 Ų | 139 | 118.2 Ų | 118.2 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | trans | -137.5 | 123.4 | -155.8 | -50.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 943 | A | 35.1 | Very low | 30.1 | Very low | 93 Ų | 93 | 123.3 Ų | 123.3 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | trans | -160.7 | 112 | 157.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 944 | T | 34.4 | Very low | 30 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -15.9 | 157.8 | 145.1 | 47.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 945 | M | 28.3 | Very low | 30.1 | Very low | 185 Ų | 185 | 124.9 Ų | 124.9 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | cis | -179.1 | 144.4 | -23.5 | -117.9 | -88 | -84.1 | 0 | 0 | 110.8 | ||||
| 946 | G | 31 | Very low | 29.8 | Very low | 68 Ų | 68 | 124 Ų | 124 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | trans | 95.1 | 164 | 156.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 947 | A | 30.3 | Very low | 29.5 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | cis | 178.5 | 145.7 | -33.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 948 | G | 30.8 | Very low | 29.3 | Very low | 77 Ų | 77 | 120.8 Ų | 120.8 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | 103.3 | 111.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 949 | S | 27.4 | Very low | 29.2 | Very low | 138 Ų | 138 | 125 Ų | 125 | 97% | 0.965 | 81% | 0.81 | S | S | * | * | cis | 93.1 | 111.3 | 27.3 | -165.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 950 | G | 29.1 | Very low | 29.1 | Very low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | trans | -178.6 | 141.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 951 | S | 28.4 | Very low | 29.1 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -146.8 | 150 | -177.2 | -174.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 952 | I | 32.2 | Very low | 29 | Very low | 144 Ų | 144 | 128.2 Ų | 128.2 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | 177.4 | 136.4 | 92.9 | -96.3 | 176.5 | 0 | 0 | 0 | 111.1 | |||||
| 953 | R | 29.9 | Very low | 28.8 | Very low | 207 Ų | 207 | 126 Ų | 126 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | 62.7 | 137 | 149.2 | -72.4 | 176.5 | 117.6 | 144.7 | 9 | 125.5 | ||||
| 954 | D | 25.8 | Very low | 28.4 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 64% | 0.642 | 80% | 0.797 | S | S | * | * | 44.7 | 131.3 | 127.3 | -37 | -23.6 | 0 | 0 | 0 | 119.1 | |||||
| 955 | T | 30.2 | Very low | 28.1 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | cis | -160.5 | 149.3 | 41.5 | 49.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 956 | A | 25.8 | Very low | 28.2 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | 58.9 | 117.1 | 140.4 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 957 | S | 24.7 | Very low | 28.1 | Very low | 121 Ų | 121 | 128 Ų | 128 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | 89.6 | 158.7 | 134.1 | 81.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 958 | A | 28 | Very low | 27.9 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | 80.3 | 134.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 959 | H | 24.8 | Very low | 27.6 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | trans | -54 | 149.6 | -179.3 | -59.8 | -105.6 | 0 | 0 | 0 | 115.3 | ||||
| 960 | D | 28.1 | Very low | 27.6 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | -153.1 | 158 | 119.6 | -129.6 | -30.6 | 0 | 0 | 0 | 113.3 | |||||
| 961 | Y | 27.3 | Very low | 27.6 | Very low | 201 Ų | 201 | 137.9 Ų | 137.9 | 79% | 0.788 | 78% | 0.777 | S | S | * | * | trans | -101.8 | 134.1 | 179.7 | -100.9 | -102.4 | 0 | 0 | 0 | 111.3 | S963 | Y961-S963 VanDerWaalsContact C-N 3.32Å; Y961-S963 PolarHBondContact O-N 3.3Å | ||
| 962 | P | 28.6 | Very low | 27.4 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | trans | -73.8 | 84.7 | 168.1 | 30.6 | -33.2 | 0 | 0 | 0 | 110.7 | L964 | P962-L964 PolarHBondContact O-N 3.46Š| ||
| 963 | S | 25.2 | Very low | 27.2 | Very low | 91 Ų | 91 | 143.2 Ų | 143.2 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -73.6 | 90.2 | 177.4 | 176.4 | 0 | 0 | 0 | 0 | 111.9 | Y961 T965 | Y961-S963 VanDerWaalsContact C-N 3.32Å; Y961-S963 PolarHBondContact O-N 3.3Å; S963-T965 VanDerWaalsContact C-N 3.26Å; S963-T965 PolarHBondContact O-N 2.89Å | ||
| 964 | L | 27.1 | Very low | 27.1 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -76.4 | 74.5 | 169.8 | -74.8 | 174.4 | 0 | 0 | 0 | 111.9 | P962 I966 | P962-L964 PolarHBondContact O-N 3.46Å; L964-I966 PolarHBondContact O-N 2.81Å | ||
| 965 | T | 27.2 | Very low | 27.1 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 66% | 0.656 | 79% | 0.786 | S | S | * | * | trans | -78 | 99.4 | 158.3 | 48.3 | 0 | 0 | 0 | 0 | 108.9 | S963 S967 | S963-T965 VanDerWaalsContact C-N 3.26Å; S963-T965 PolarHBondContact O-N 2.89Å; T965-S967 PolarHBondContact O-N 3.12Å; T965-S967 VanDerWaalsContact O-N 3.17Å | ||
| 966 | I | 31.3 | Very low | 26.8 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | -72.1 | 105.1 | 165 | -62.5 | 177 | 0 | 0 | 0 | 107 | L964 | L964-I966 PolarHBondContact O-N 2.81Š| ||
| 967 | S | 28.6 | Very low | 26.9 | Very low | 97 Ų | 97 | 147.6 Ų | 147.6 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | -82.7 | 149.6 | 168.2 | -63 | 0 | 0 | 0 | 0 | 110.2 | T965 D969 | T965-S967 PolarHBondContact O-N 3.12Å; T965-S967 VanDerWaalsContact O-N 3.17Å; S967-D969 PolarHBondContact O-N 3.15Å | ||
| 968 | D | 25.1 | Very low | 27.1 | Very low | 169 Ų | 169 | 149.4 Ų | 149.4 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -67.9 | 95.8 | 175 | -58.2 | -78.2 | 0 | 0 | 0 | 111.7 | ||
| 969 | D | 24.7 | Very low | 27.1 | Very low | 145 Ų | 145 | 153.1 Ų | 153.1 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | -160.4 | 111.2 | 149.8 | -131.1 | -24 | 0 | 0 | 0 | 111.6 | S967 | S967-D969 PolarHBondContact O-N 3.15Š| ||
| 970 | M | 28.9 | Very low | 27.3 | Very low | 192 Ų | 192 | 147.6 Ų | 147.6 | 95% | 0.946 | 79% | 0.789 | S | S | * | * | trans | -138.1 | 97.1 | 160.5 | -172.2 | 173.4 | -177 | 0 | 0 | 108.9 | ||||
| 971 | S | 27.4 | Very low | 27.8 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -67.5 | 148.8 | 179.2 | -75.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 972 | F | 25 | Very low | 28.4 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -82.7 | 110.9 | -176.8 | 178.3 | -84.3 | 0 | 0 | 0 | 110.8 | ||||
| 973 | E | 28.3 | Very low | 29.2 | Very low | 192 Ų | 192 | 139.1 Ų | 139.1 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | trans | -149 | 168.2 | 159.3 | -138.3 | 164.7 | -141.7 | 0 | 0 | 112.8 | ||||
| 974 | F | 26.3 | Very low | 30.4 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | trans | -119.2 | 125 | -133.3 | -170.3 | -88.3 | 0 | 0 | 0 | 114.5 | ||||
| 975 | G | 26.4 | Very low | 32 | Very low | 63 Ų | 63 | 134.8 Ų | 134.8 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | trans | 98.6 | 154.8 | 138.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 976 | Q | 25 | Very low | 34.5 | Very low | 197 Ų | 197 | 132.8 Ų | 132.8 | 92% | 0.921 | 71% | 0.709 | S | S | * | * | trans | 75.6 | 54.4 | 153.6 | -152.3 | 169.8 | 25 | 0 | 0 | 120.2 | ||||
| 977 | E | 27.1 | Very low | 37.1 | Very low | 193 Ų | 193 | 125.9 Ų | 125.9 | 90% | 0.902 | 67% | 0.674 | S | S | * | * | trans | -147.5 | 94.2 | 147.5 | -129.1 | 171.9 | -136.3 | 0 | 0 | 111.3 | ||||
| 978 | L | 29.9 | Very low | 39.9 | Very low | 160 Ų | 160 | 123.3 Ų | 123.3 | 84% | 0.838 | 65% | 0.651 | S | S | * | * | trans | -114.5 | 50.2 | -169.2 | -165.2 | 80.1 | 0 | 0 | 0 | 112.7 | ||||
| 979 | E | 28 | Very low | 42.8 | Very low | 173 Ų | 173 | 116.1 Ų | 116.1 | 81% | 0.808 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -145.6 | 2.4 | 177.5 | -122.5 | 148.6 | -135.2 | 0 | 0 | 115.4 | ||
| 980 | G | 28.8 | Very low | 45.9 | Very low | 57 Ų | 57 | 109.3 Ų | 109.3 | 59% | 0.588 | 58% | 0.578 | S | S | * | * | trans | -107.6 | 9.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | T982 | G980-T982 PolarHBondContact O-N 3.12Š| ||
| 981 | V | 37.7 | Very low | 48.8 | Very low | 79 Ų | 79 | 100.3 Ų | 100.3 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -88.2 | -3.7 | -161.3 | -170.4 | 0 | 0 | 0 | 0 | 114.6 | T983 | V981-T983 VanDerWaalsContact C-N 3.31Å; V981-T983 PolarHBondContact O-N 3.03Å |
| 982 | T | 40.6 | Very low | 51.9 | Low | 127 Ų | 127 | 97 Ų | 97 | 78% | 0.779 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -68.4 | -19.4 | -171.6 | 50.1 | 0 | 0 | 0 | 0 | 115.6 | G980 | G980-T982 PolarHBondContact O-N 3.12Š|
| 983 | T | 44.5 | Very low | 55 | Low | 101 Ų | 101 | 92.7 Ų | 92.7 | 62% | 0.62 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -80.5 | -11.5 | -176.5 | 41 | 0 | 0 | 0 | 0 | 115.1 | V981 | V981-T983 VanDerWaalsContact C-N 3.31Å; V981-T983 PolarHBondContact O-N 3.03Å |
| 984 | Y | 49.7 | Very low | 58.1 | Low | 137 Ų | 137 | 83.5 Ų | 83.5 | 54% | 0.537 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -100 | 0.8 | -175.1 | -75.4 | -65.9 | 0 | 0 | 0 | 115.4 | R993 | Y984-R993 PolarHBondContact O-NH1 3.14Š|
| 985 | D | 61.6 | Low | 61.3 | Low | 28 Ų | 28 | 74.7 Ų | 74.7 | 15% | 0.15 | 41% | 0.406 | C | S | . | . | trans | -109.7 | 9.2 | -171.3 | -88.8 | -0.7 | 0 | 0 | 0 | 114.2 | K854 S855 | K854-D985 HydrophobicContact CD-CB 4.38Å; K854-D985 VanDerWaalsContact CE-O 3.28Å; K854-D985 WeakPolarHBondContact CE-O 3.33Å; K854-D985 PolarHBondContact NZ-O 3.42Å; S855-D985 WeakPolarHBondContact CA-OD1 3.45Å; S855-D985 VanDerWaalsContact CB-OD1 3.26Å; S855-D985 WeakPolarHBondContact CB-OD1 3.31Å; S855-D985 WeakPolarHBondContact CB-OD2 3.43Å; S855-D985 PolarHBondContact N-OD2 3.33Å; S855-D985 PolarHBondContact OG-OD2 3.39Å | ||
| 986 | N | 78.8 | Confident | 64.5 | Low | 65 Ų | 65 | 76.2 Ų | 76.2 | 35% | 0.348 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -78 | 157.1 | 174.5 | 73.5 | 5.9 | 0 | 0 | 0 | 112.5 | H988 A989 L990 | N986-H988 PolarHBondContact O-N 3.34Å; N986-A989 PolarHBondContact O-N 3.31Å; N986-A989 VanDerWaalsContact O-N 3.16Å; N986-A989 VanDerWaalsContact OD1-CB 3.23Å; N986-A989 WeakPolarHBondContact OD1-CB 3.44Å; N986-A989 PolarHBondContact OD1-N 3.13Å; N986-L990 WeakPolarHBondContact O-CG 3.45Å; N986-L990 PolarHBondContact O-N 2.9Å |
| 987 | A | 86 | Confident | 67.8 | Low | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.008 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.6 | -30.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A888 V889 E892 L990 F991 | A888-A987 HydrophobicContact CB-CB 3.86Å; V889-A987 HydrophobicContact CB-CB 4.44Å; V889-A987 HydrophobicContact CG2-CB 3.7Å; E892-A987 WeakPolarHBondContact OE1-CB 3.29Å; E892-A987 PolarHBondContact OE1-N 3.2Å; E892-A987 VanDerWaalsContact OE2-CB 3.29Å; E892-A987 WeakPolarHBondContact OE2-CB 3.46Å; E892-A987 PolarHBondContact OE2-N 3.45Å; A987-L990 PolarHBondContact O-N 3.01Å; A987-F991 WeakPolarHBondContact O-CB 3.29Å; A987-F991 PolarHBondContact O-N 2.82Å |
| 988 | H | 87.4 | Confident | 71.1 | Confident | 44 Ų | 44 | 58.2 Ų | 58.2 | 20% | 0.204 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -49.8 | 173.7 | 177.3 | -119.6 | 0 | 0 | 0 | 112.5 | N986 L990 F991 V992 I1028 E1030 | N986-H988 PolarHBondContact O-N 3.34Å; H988-L990 PolarHBondContact O-N 3.46Å; H988-F991 PolarHBondContact O-N 2.85Å; H988-F991 VanDerWaalsContact O-N 3.17Å; H988-V992 WeakPolarHBondContact NE2-CG2 3.34Å; H988-V992 WeakPolarHBondContact O-CG2 3.43Å; H988-V992 PolarHBondContact O-N 3.15Å; H988-I1028 HydrophobicContact CB-CG2 4.05Å; H988-E1030 PolarHBondContact CD2-O 3.26Å; H988-E1030 PolarHBondContact NE2-O 3.35Å |
| 989 | A | 87.2 | Confident | 74.2 | Confident | 17 Ų | 17 | 50.7 Ų | 50.7 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -34.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | N986 R993 | N986-A989 PolarHBondContact O-N 3.31Å; N986-A989 VanDerWaalsContact O-N 3.16Å; N986-A989 VanDerWaalsContact OD1-CB 3.23Å; N986-A989 WeakPolarHBondContact OD1-CB 3.44Å; N986-A989 PolarHBondContact OD1-N 3.13Å; A989-R993 WeakPolarHBondContact O-CB 3.39Å; A989-R993 WeakPolarHBondContact O-CD 3.47Å; A989-R993 WeakPolarHBondContact O-CG 3.14Å; A989-R993 PolarHBondContact O-N 3.24Å; A989-R993 VanDerWaalsContact O-N 3.08Å |
| 990 | L | 88.5 | Confident | 77.3 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.4 | -45.1 | 173.7 | -59.9 | -175.3 | 0 | 0 | 0 | 112 | M858 V885 A888 N986 A987 H988 R993 A994 | M858-L990 HydrophobicContact CE-CD1 4.17Å; M858-L990 HydrophobicContact CE-CD2 3.91Å; M858-L990 HydrophobicContact CG-CD2 3.65Å; M858-L990 HydrophobicContact SD-CD2 3.98Å; V885-L990 HydrophobicContact CG2-CB 4.16Å; A888-L990 HydrophobicContact CB-CD1 3.88Å; N986-L990 WeakPolarHBondContact O-CG 3.45Å; N986-L990 PolarHBondContact O-N 2.9Å; A987-L990 PolarHBondContact O-N 3.01Å; H988-L990 PolarHBondContact O-N 3.46Å; L990-R993 PolarHBondContact O-N 3.41Å; L990-A994 WeakPolarHBondContact O-CB 3.46Å; L990-A994 PolarHBondContact O-N 2.85Å |
| 991 | F | 91.5 | Very high | 80.5 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.7 | -46.8 | 176.4 | 168.2 | -90.7 | 0 | 0 | 0 | 112.7 | V885 A987 H988 A994 T995 L1023 I1028 W1076 | V885-F991 HydrophobicContact CG1-CB 4.06Å; A987-F991 WeakPolarHBondContact O-CB 3.29Å; A987-F991 PolarHBondContact O-N 2.82Å; H988-F991 PolarHBondContact O-N 2.85Å; H988-F991 VanDerWaalsContact O-N 3.17Å; F991-A994 PolarHBondContact O-N 2.82Å; F991-T995 VanDerWaalsContact O-CB 3.28Å; F991-T995 WeakPolarHBondContact O-CB 3.31Å; F991-T995 PolarHBondContact O-N 2.92Å; F991-T995 PolarHBondContact O-OG1 2.83Å; F991-L1023 HydrophobicContact CD2-CB 4.2Å; F991-L1023 HydrophobicContact CD2-CD2 4.32Å; F991-L1023 HydrophobicContact CE2-CB 4.02Å; F991-I1028 HydrophobicContact CB-CD1 3.3Å; F991-I1028 HydrophobicContact CD1-CD1 3.91Å; F991-I1028 HydrophobicContact CD2-CD1 3.54Å; F991-I1028 HydrophobicContact CE2-CD1 4.27Å; F991-I1028 HydrophobicContact CG-CD1 3.32Å; F991-W1076 HydrophobicContact CE2-CH2 4.09Å; F991-W1076 AromaticContact CZ-CH2 3.68Å; F991-W1076 HydrophobicContact CZ-CH2 3.68Å; F991-W1076 AromaticContact CZ-CZ3 3.93Å; F991-W1076 HydrophobicContact CZ-CZ3 3.93Å |
| 992 | V | 91.3 | Very high | 83.2 | Confident | 35 Ų | 35 | 42.9 Ų | 42.9 | 21% | 0.212 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -48.6 | 178 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | H988 A994 T995 Y996 E1035 | H988-V992 WeakPolarHBondContact NE2-CG2 3.34Å; H988-V992 WeakPolarHBondContact O-CG2 3.43Å; H988-V992 PolarHBondContact O-N 3.15Å; V992-A994 PolarHBondContact O-N 3.19Å; V992-T995 PolarHBondContact O-N 2.79Å; V992-Y996 VanDerWaalsContact O-CB 3.29Å; V992-Y996 WeakPolarHBondContact O-CB 3.34Å; V992-Y996 PolarHBondContact O-N 2.98Å; V992-E1035 HydrophobicContact CG1-CG 4.22Å; V992-E1035 HydrophobicContact CG2-CG 4.48Å |
| 993 | R | 90.9 | Very high | 85.6 | Confident | 86 Ų | 86 | 38.9 Ų | 38.9 | 33% | 0.325 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.2 | -42.1 | 178.3 | -73.5 | 172.1 | 171.5 | 170.2 | -1.3 | 112.6 | M862 Y984 A989 L990 L997 | M862-R993 HydrophobicContact CE-CB 3.96Å; M862-R993 WeakPolarHBondContact CE-O 3.38Å; Y984-R993 PolarHBondContact O-NH1 3.14Å; A989-R993 WeakPolarHBondContact O-CB 3.39Å; A989-R993 WeakPolarHBondContact O-CD 3.47Å; A989-R993 WeakPolarHBondContact O-CG 3.14Å; A989-R993 PolarHBondContact O-N 3.24Å; A989-R993 VanDerWaalsContact O-N 3.08Å; L990-R993 PolarHBondContact O-N 3.41Å; R993-L997 WeakPolarHBondContact O-CB 3.26Å; R993-L997 PolarHBondContact O-N 3.11Å |
| 994 | A | 92.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.6 | -48.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L881 V885 L990 F991 V992 Y996 L997 V998 L1023 | L881-A994 HydrophobicContact CD1-CB 3.92Å; L881-A994 HydrophobicContact CD2-CB 3.96Å; L881-A994 HydrophobicContact CG-CB 4.02Å; V885-A994 HydrophobicContact CG2-CB 4.09Å; L990-A994 WeakPolarHBondContact O-CB 3.46Å; L990-A994 PolarHBondContact O-N 2.85Å; F991-A994 PolarHBondContact O-N 2.82Å; V992-A994 PolarHBondContact O-N 3.19Å; A994-Y996 PolarHBondContact O-N 3.08Å; A994-L997 PolarHBondContact O-N 3.3Å; A994-V998 WeakPolarHBondContact O-CB 3.44Å; A994-V998 VanDerWaalsContact O-CG2 3.31Å; A994-V998 WeakPolarHBondContact O-CG2 3.41Å; A994-V998 PolarHBondContact O-N 2.93Å; A994-L1023 HydrophobicContact CB-CD1 3.95Å |
| 995 | T | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.1 | -47.9 | 176.9 | -57.8 | 0 | 0 | 0 | 0 | 110.8 | F991 V992 C999 L1020 E1035 A1039 W1076 | F991-T995 VanDerWaalsContact O-CB 3.28Å; F991-T995 WeakPolarHBondContact O-CB 3.31Å; F991-T995 PolarHBondContact O-N 2.92Å; F991-T995 PolarHBondContact O-OG1 2.83Å; V992-T995 PolarHBondContact O-N 2.79Å; T995-C999 WeakPolarHBondContact O-CB 3.4Å; T995-C999 PolarHBondContact O-N 3.49Å; T995-C999 VanDerWaalsContact O-N 3.09Å; T995-L1020 HydrophobicContact CG2-CD2 4.48Å; T995-E1035 HydrophobicContact CG2-CG 4.27Å; T995-A1039 HydrophobicContact CG2-CB 3.59Å; T995-W1076 HydrophobicContact CG2-CH2 3.92Å; T995-W1076 HydrophobicContact CG2-CZ2 4.18Å |
| 996 | Y | 93.8 | Very high | 91.2 | Very high | 96 Ų | 96 | 32 Ų | 32 | 38% | 0.376 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -58.5 | -53.5 | 178.7 | -175.9 | -88.5 | 0 | 0 | 0 | 112.1 | V992 A994 H1000 W1042 | V992-Y996 VanDerWaalsContact O-CB 3.29Å; V992-Y996 WeakPolarHBondContact O-CB 3.34Å; V992-Y996 PolarHBondContact O-N 2.98Å; A994-Y996 PolarHBondContact O-N 3.08Å; Y996-H1000 VanDerWaalsContact O-CB 3.26Å; Y996-H1000 WeakPolarHBondContact O-CB 3.25Å; Y996-H1000 PolarHBondContact O-N 2.83Å; Y996-H1000 VanDerWaalsContact O-N 3.08Å; Y996-W1042 AromaticContact CD2-CH2 3.65Å; Y996-W1042 HydrophobicContact CD2-CH2 3.65Å; Y996-W1042 HydrophobicContact CD2-CZ3 4.04Å; Y996-W1042 AromaticContact CE2-CH2 3.61Å; Y996-W1042 HydrophobicContact CE2-CH2 3.61Å; Y996-W1042 HydrophobicContact CE2-CZ2 4.45Å; Y996-W1042 HydrophobicContact CE2-CZ3 4.45Å; Y996-W1042 HydrophobicContact CG-CH2 4.34Å |
| 997 | L | 94.2 | Very high | 91.7 | Very high | 11 Ų | 11 | 31 Ų | 31 | 6% | 0.058 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.5 | -47.7 | -177.1 | 175 | 59.7 | 0 | 0 | 0 | 111.8 | M862 L865 Q866 R993 A994 H1000 R1001 | M862-L997 HydrophobicContact CE-CB 3.92Å; M862-L997 HydrophobicContact CE-CD2 3.5Å; M862-L997 VanDerWaalsContact CE-CD2 3.5Å; M862-L997 HydrophobicContact CE-CG 4.35Å; M862-L997 HydrophobicContact SD-CD2 3.74Å; L865-L997 HydrophobicContact CB-CD2 4.36Å; L865-L997 HydrophobicContact CD2-CD2 3.94Å; L865-L997 HydrophobicContact CG-CD2 4.25Å; Q866-L997 HydrophobicContact CG-CD1 3.53Å; Q866-L997 HydrophobicContact CG-CD2 4.15Å; R993-L997 WeakPolarHBondContact O-CB 3.26Å; R993-L997 PolarHBondContact O-N 3.11Å; A994-L997 PolarHBondContact O-N 3.3Å; L997-H1000 PolarHBondContact O-N 3.42Å; L997-R1001 HydrophobicContact CD1-CG 3.65Å; L997-R1001 HydrophobicContact CG-CG 4.39Å; L997-R1001 WeakPolarHBondContact O-CB 3.38Å; L997-R1001 VanDerWaalsContact O-CG 3.23Å; L997-R1001 WeakPolarHBondContact O-CG 3.45Å; L997-R1001 PolarHBondContact O-N 2.87Å |
| 998 | V | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.1 | -44.5 | -173.5 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | L878 L881 A994 R1001 L1002 W1006 A1016 L1019 L1020 | L878-V998 HydrophobicContact CD2-CG1 4.47Å; L878-V998 HydrophobicContact CD2-CG2 3.89Å; L881-V998 HydrophobicContact CD2-CG2 3.87Å; A994-V998 WeakPolarHBondContact O-CB 3.44Å; A994-V998 VanDerWaalsContact O-CG2 3.31Å; A994-V998 WeakPolarHBondContact O-CG2 3.41Å; A994-V998 PolarHBondContact O-N 2.93Å; V998-R1001 PolarHBondContact O-N 3.19Å; V998-L1002 WeakPolarHBondContact O-CB 3.46Å; V998-L1002 PolarHBondContact O-N 3.3Å; V998-W1006 HydrophobicContact CG1-CZ3 4.23Å; V998-A1016 HydrophobicContact CG1-CB 3.79Å; V998-L1019 HydrophobicContact CB-CD2 4.3Å; V998-L1019 HydrophobicContact CG1-CD2 4.18Å; V998-L1019 HydrophobicContact CG2-CD1 4.12Å; V998-L1019 HydrophobicContact CG2-CD2 3.92Å; V998-L1020 HydrophobicContact CB-CD2 4.37Å; V998-L1020 HydrophobicContact CG1-CD1 4.08Å; V998-L1020 HydrophobicContact CG1-CD2 4.16Å; V998-L1020 HydrophobicContact CG1-CG 3.87Å |
| 999 | C | 95.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.02 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 175.8 | -74 | 0 | 0 | 0 | 0 | 112.1 | T995 R1001 L1002 I1003 L1020 W1042 | T995-C999 WeakPolarHBondContact O-CB 3.4Å; T995-C999 PolarHBondContact O-N 3.49Å; T995-C999 VanDerWaalsContact O-N 3.09Å; C999-R1001 PolarHBondContact O-N 3.3Å; C999-L1002 PolarHBondContact O-N 3.04Å; C999-I1003 PolarHBondContact O-N 3.33Å; C999-I1003 VanDerWaalsContact O-N 3.16Å; C999-L1020 VanDerWaalsContact SG-CD1 3.58Å; C999-L1020 VanDerWaalsContact SG-CD2 3.52Å; C999-W1042 HydrophobicContact CB-CB 4.08Å; C999-W1042 HydrophobicContact CB-CD2 3.97Å; C999-W1042 HydrophobicContact CB-CE3 3.19Å; C999-W1042 HydrophobicContact CB-CG 4.41Å; C999-W1042 HydrophobicContact CB-CZ3 3.72Å |
| 1000 | H | 94.4 | Very high | 92 | Very high | 82 Ų | 82 | 36.9 Ų | 36.9 | 38% | 0.38 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.8 | -43.7 | 176.7 | 177.8 | -104.8 | 0 | 0 | 0 | 111.9 | Y996 L997 S1004 W1042 | Y996-H1000 VanDerWaalsContact O-CB 3.26Å; Y996-H1000 WeakPolarHBondContact O-CB 3.25Å; Y996-H1000 PolarHBondContact O-N 2.83Å; Y996-H1000 VanDerWaalsContact O-N 3.08Å; L997-H1000 PolarHBondContact O-N 3.42Å; H1000-S1004 VanDerWaalsContact O-CB 3.3Å; H1000-S1004 WeakPolarHBondContact O-CB 3.33Å; H1000-S1004 PolarHBondContact O-N 2.82Å; H1000-S1004 PolarHBondContact O-OG 3.08Å; H1000-W1042 HydrophobicContact CB-CH2 4.36Å |
| 1001 | R | 94.4 | Very high | 92.1 | Very high | 59 Ų | 59 | 38.6 Ų | 38.6 | 22% | 0.223 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72 | -31.8 | 178.6 | -69.3 | -70.3 | 175.2 | 148.7 | -0.3 | 113.2 | Q866 L997 V998 C999 S1004 S1005 W1006 | Q866-R1001 PolarHBondContact O-NH1 3.49Å; Q866-R1001 PolarHBondContact O-NH2 3.15Å; L997-R1001 HydrophobicContact CD1-CG 3.65Å; L997-R1001 HydrophobicContact CG-CG 4.39Å; L997-R1001 WeakPolarHBondContact O-CB 3.38Å; L997-R1001 VanDerWaalsContact O-CG 3.23Å; L997-R1001 WeakPolarHBondContact O-CG 3.45Å; L997-R1001 PolarHBondContact O-N 2.87Å; V998-R1001 PolarHBondContact O-N 3.19Å; C999-R1001 PolarHBondContact O-N 3.3Å; R1001-S1004 WeakPolarHBondContact CA-OG 3.45Å; R1001-S1005 PolarHBondContact O-N 3.27Å; R1001-S1005 PolarHBondContact O-OG 3.25Å; R1001-W1006 HydrophobicContact CB-CD2 3.71Å; R1001-W1006 HydrophobicContact CB-CE3 3.56Å; R1001-W1006 HydrophobicContact CB-CH2 3.49Å; R1001-W1006 VanDerWaalsContact CB-CH2 3.49Å; R1001-W1006 HydrophobicContact CB-CZ2 3.66Å; R1001-W1006 HydrophobicContact CB-CZ3 3.45Å; R1001-W1006 VanDerWaalsContact CB-CZ3 3.45Å; R1001-W1006 HydrophobicContact CG-CH2 4.09Å; R1001-W1006 HydrophobicContact CG-CZ2 4.1Å; R1001-W1006 HydrophobicContact CG-CZ3 4.49Å; R1001-W1006 PolarHBondContact O-N 2.89Å |
| 1002 | L | 94.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.5 | -49.1 | 173.2 | -179.3 | 60.8 | 0 | 0 | 0 | 111.5 | V998 C999 K1007 A1016 L1017 L1020 Y1046 | V998-L1002 WeakPolarHBondContact O-CB 3.46Å; V998-L1002 PolarHBondContact O-N 3.3Å; C999-L1002 PolarHBondContact O-N 3.04Å; L1002-K1007 WeakPolarHBondContact O-CB 3.25Å; L1002-K1007 PolarHBondContact O-N 2.85Å; L1002-K1007 VanDerWaalsContact O-N 3.13Å; L1002-A1016 HydrophobicContact CD1-CB 4.18Å; L1002-L1017 HydrophobicContact CD2-CD2 3.76Å; L1002-L1017 HydrophobicContact CD2-CG 4.15Å; L1002-L1020 HydrophobicContact CD2-CD1 4.14Å; L1002-Y1046 HydrophobicContact CD1-CD2 4.01Å; L1002-Y1046 HydrophobicContact CD1-CE2 3.42Å; L1002-Y1046 VanDerWaalsContact CD1-CE2 3.42Å; L1002-Y1046 HydrophobicContact CD2-CD2 4.22Å; L1002-Y1046 HydrophobicContact CD2-CE2 4.38Å; L1002-Y1046 HydrophobicContact CD2-CG 4.38Å; L1002-Y1046 HydrophobicContact CG-CD2 3.63Å; L1002-Y1046 HydrophobicContact CG-CE2 3.61Å; L1002-Y1046 HydrophobicContact CG-CG 4.27Å |
| 1003 | I | 91.8 | Very high | 92.2 | Very high | 43 Ų | 43 | 37 Ų | 37 | 22% | 0.221 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -84.4 | -17.6 | -178.3 | -157.9 | 167.6 | 0 | 0 | 0 | 114.3 | C999 K1007 D1045 | C999-I1003 PolarHBondContact O-N 3.33Å; C999-I1003 VanDerWaalsContact O-N 3.16Å; I1003-K1007 WeakPolarHBondContact O-CD 3.41Å; I1003-K1007 PolarHBondContact O-NZ 3.36Å; I1003-D1045 HydrophobicContact CD1-CB 3.68Å |
| 1004 | S | 90.8 | Very high | 92.4 | Very high | 47 Ų | 47 | 33 Ų | 33 | 33% | 0.329 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -89.4 | -73.3 | 173.3 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | H1000 R1001 K1007 | H1000-S1004 VanDerWaalsContact O-CB 3.3Å; H1000-S1004 WeakPolarHBondContact O-CB 3.33Å; H1000-S1004 PolarHBondContact O-N 2.82Å; H1000-S1004 PolarHBondContact O-OG 3.08Å; R1001-S1004 WeakPolarHBondContact CA-OG 3.45Å; S1004-K1007 WeakPolarHBondContact O-CE 3.38Å; S1004-K1007 PolarHBondContact O-NZ 2.72Å; S1004-K1007 VanDerWaalsContact O-NZ 3.13Å |
| 1005 | S | 89.7 | Confident | 92.5 | Very high | 55 Ų | 55 | 33 Ų | 33 | 39% | 0.385 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -36.8 | -167.6 | 49.9 | 0 | 0 | 0 | 0 | 115.6 | R1001 | R1001-S1005 PolarHBondContact O-N 3.27Å; R1001-S1005 PolarHBondContact O-OG 3.25Å |
| 1006 | W | 92.4 | Very high | 92.6 | Very high | 19 Ų | 19 | 33 Ų | 33 | 7% | 0.072 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -90.3 | -15.8 | -165.8 | -58.2 | -32.2 | 0 | 0 | 0 | 115.3 | L865 T874 L878 V998 R1001 T1008 D1009 V1012 S1013 A1016 | L865-W1006 HydrophobicContact CD1-CH2 3.68Å; L865-W1006 HydrophobicContact CD1-CZ2 3.68Å; L865-W1006 HydrophobicContact CD2-CH2 4.28Å; L865-W1006 HydrophobicContact CG-CH2 3.91Å; L865-W1006 HydrophobicContact CG-CZ2 4.11Å; T874-W1006 HydrophobicContact CG2-CZ2 3.78Å; L878-W1006 HydrophobicContact CD2-CH2 4.02Å; L878-W1006 HydrophobicContact CD2-CZ3 4.07Å; V998-W1006 HydrophobicContact CG1-CZ3 4.23Å; R1001-W1006 HydrophobicContact CB-CD2 3.71Å; R1001-W1006 HydrophobicContact CB-CE3 3.56Å; R1001-W1006 HydrophobicContact CB-CH2 3.49Å; R1001-W1006 VanDerWaalsContact CB-CH2 3.49Å; R1001-W1006 HydrophobicContact CB-CZ2 3.66Å; R1001-W1006 HydrophobicContact CB-CZ3 3.45Å; R1001-W1006 VanDerWaalsContact CB-CZ3 3.45Å; R1001-W1006 HydrophobicContact CG-CH2 4.09Å; R1001-W1006 HydrophobicContact CG-CZ2 4.1Å; R1001-W1006 HydrophobicContact CG-CZ3 4.49Å; R1001-W1006 PolarHBondContact O-N 2.89Å; W1006-T1008 PolarHBondContact O-N 3.2Å; W1006-D1009 PolarHBondContact O-N 2.87Å; W1006-V1012 HydrophobicContact CB-CB 4.35Å; W1006-V1012 HydrophobicContact CB-CG1 3.79Å; W1006-V1012 HydrophobicContact CD2-CG1 3.53Å; W1006-V1012 HydrophobicContact CE3-CG1 4.06Å; W1006-V1012 HydrophobicContact CG-CB 4.38Å; W1006-V1012 HydrophobicContact CG-CG1 3.41Å; W1006-V1012 VanDerWaalsContact CG-CG1 3.41Å; W1006-S1013 PolarHBondContact O-OG 3.16Å; W1006-A1016 HydrophobicContact CE3-CB 4.04Å; W1006-A1016 HydrophobicContact CZ3-CB 4.2Å |
| 1007 | K | 89.6 | Confident | 92.8 | Very high | 44 Ų | 44 | 28.5 Ų | 28.5 | 19% | 0.191 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -52.5 | -16.3 | -177.8 | 67.8 | -148.7 | 176.9 | -172 | 0 | 117.7 | L1002 I1003 S1004 Y1046 Y1049 Q1050 | L1002-K1007 WeakPolarHBondContact O-CB 3.25Å; L1002-K1007 PolarHBondContact O-N 2.85Å; L1002-K1007 VanDerWaalsContact O-N 3.13Å; I1003-K1007 WeakPolarHBondContact O-CD 3.41Å; I1003-K1007 PolarHBondContact O-NZ 3.36Å; S1004-K1007 WeakPolarHBondContact O-CE 3.38Å; S1004-K1007 PolarHBondContact O-NZ 2.72Å; S1004-K1007 VanDerWaalsContact O-NZ 3.13Å; K1007-Y1046 HydrophobicContact CB-CD2 4.29Å; K1007-Y1046 HydrophobicContact CB-CE2 3.68Å; K1007-Y1049 HydrophobicContact CB-CE1 4.37Å; K1007-Y1049 HydrophobicContact CD-CD1 3.99Å; K1007-Y1049 HydrophobicContact CD-CE1 3.53Å; K1007-Y1049 HydrophobicContact CG-CD1 4.41Å; K1007-Y1049 HydrophobicContact CG-CE1 3.83Å; K1007-Q1050 PolarHBondContact O-NE2 2.96Å |
| 1008 | T | 87.7 | Confident | 92.9 | Very high | 100 Ų | 100 | 28.7 Ų | 28.7 | 61% | 0.613 | 15% | 0.154 | S | C | * | . | G | 310 helix | trans | -96.1 | -15.5 | 176.4 | 47.4 | 0 | 0 | 0 | 0 | 114 | W1006 | W1006-T1008 PolarHBondContact O-N 3.2Š|
| 1009 | D | 89.9 | Confident | 92.9 | Very high | 58 Ų | 58 | 28.7 Ų | 28.7 | 31% | 0.31 | 15% | 0.154 | S | C | . | . | trans | -96.9 | 124.2 | 174.8 | -170.4 | -69.6 | 0 | 0 | 0 | 110.2 | W1006 N1011 V1012 S1013 | W1006-D1009 PolarHBondContact O-N 2.87Å; D1009-N1011 WeakPolarHBondContact OD1-CA 3.23Å; D1009-N1011 PolarHBondContact OD1-N 2.94Å; D1009-V1012 HydrophobicContact CB-CB 4.2Å; D1009-V1012 HydrophobicContact CB-CG2 4.3Å; D1009-V1012 PolarHBondContact OD1-N 2.93Å; D1009-S1013 WeakPolarHBondContact O-CB 3.47Å; D1009-S1013 PolarHBondContact O-N 3.41Å; D1009-S1013 PolarHBondContact O-OG 3.24Å | ||
| 1010 | L | 89.4 | Confident | 92.9 | Very high | 27 Ų | 27 | 28.5 Ų | 28.5 | 14% | 0.141 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.9 | -49.4 | 179 | 173.1 | 64 | 0 | 0 | 0 | 111.8 | S1013 L1014 D1061 T1065 M1653 | L1010-S1013 PolarHBondContact O-N 3.08Å; L1010-L1014 HydrophobicContact CD1-CD1 3.73Å; L1010-L1014 HydrophobicContact CD1-CG 4.1Å; L1010-L1014 HydrophobicContact CG-CD1 4.07Å; L1010-L1014 WeakPolarHBondContact O-CB 3.48Å; L1010-L1014 VanDerWaalsContact O-CG 3.25Å; L1010-L1014 WeakPolarHBondContact O-CG 3.44Å; L1010-L1014 PolarHBondContact O-N 3.25Å; L1010-D1061 HydrophobicContact CD1-CB 4.19Å; L1010-D1061 HydrophobicContact CD2-CB 4.05Å; L1010-T1065 HydrophobicContact CD1-CG2 3.63Å; L1010-M1653 HydrophobicContact CD2-CG 4.35Å; L1010-M1653 HydrophobicContact CD2-SD 4.06Å |
| 1011 | N | 89 | Confident | 93 | Very high | 39 Ų | 39 | 25 Ų | 25 | 21% | 0.209 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73.5 | -40.2 | -169.8 | -76.5 | -6.3 | 0 | 0 | 0 | 111.5 | D1009 A1015 R1652 | D1009-N1011 WeakPolarHBondContact OD1-CA 3.23Å; D1009-N1011 PolarHBondContact OD1-N 2.94Å; N1011-A1015 VanDerWaalsContact O-CB 3.32Å; N1011-A1015 WeakPolarHBondContact O-CB 3.46Å; N1011-A1015 PolarHBondContact O-N 3.41Å; N1011-R1652 PolarHBondContact ND2-O 3.15Å; N1011-R1652 PolarHBondContact OD1-O 2.93Å |
| 1012 | V | 92.8 | Very high | 93 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.024 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.9 | -39.4 | 175.3 | -174.1 | 0 | 0 | 0 | 0 | 110.8 | A871 T874 L878 W1006 D1009 L1014 A1015 A1016 | A871-V1012 HydrophobicContact CB-CG2 3.82Å; T874-V1012 HydrophobicContact CG2-CG1 3.56Å; T874-V1012 HydrophobicContact CG2-CG2 4.31Å; L878-V1012 HydrophobicContact CD1-CG1 4.26Å; W1006-V1012 HydrophobicContact CB-CB 4.35Å; W1006-V1012 HydrophobicContact CB-CG1 3.79Å; W1006-V1012 HydrophobicContact CD2-CG1 3.53Å; W1006-V1012 HydrophobicContact CE3-CG1 4.06Å; W1006-V1012 HydrophobicContact CG-CB 4.38Å; W1006-V1012 HydrophobicContact CG-CG1 3.41Å; W1006-V1012 VanDerWaalsContact CG-CG1 3.41Å; D1009-V1012 HydrophobicContact CB-CB 4.2Å; D1009-V1012 HydrophobicContact CB-CG2 4.3Å; D1009-V1012 PolarHBondContact OD1-N 2.93Å; V1012-L1014 PolarHBondContact O-N 3.3Å; V1012-A1015 PolarHBondContact O-N 3.01Å; V1012-A1016 VanDerWaalsContact O-CB 3.27Å; V1012-A1016 WeakPolarHBondContact O-CB 3.4Å; V1012-A1016 PolarHBondContact O-N 3.12Å |
| 1013 | S | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.1 | -44.8 | 173.1 | -71.4 | 0 | 0 | 0 | 0 | 112 | W1006 D1009 L1010 A1016 L1017 Y1046 | W1006-S1013 PolarHBondContact O-OG 3.16Å; D1009-S1013 WeakPolarHBondContact O-CB 3.47Å; D1009-S1013 PolarHBondContact O-N 3.41Å; D1009-S1013 PolarHBondContact O-OG 3.24Å; L1010-S1013 PolarHBondContact O-N 3.08Å; S1013-A1016 PolarHBondContact O-N 2.91Å; S1013-L1017 WeakPolarHBondContact O-CB 3.46Å; S1013-L1017 VanDerWaalsContact O-CG 3.29Å; S1013-L1017 WeakPolarHBondContact O-CG 3.3Å; S1013-L1017 PolarHBondContact O-N 2.96Å; S1013-Y1046 VanDerWaalsContact CB-OH 3.28Å; S1013-Y1046 WeakPolarHBondContact CB-OH 3.37Å; S1013-Y1046 PolarHBondContact OG-OH 3.43Å |
| 1014 | L | 94.5 | Very high | 93 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.4 | -47.9 | 176.7 | -71.5 | 175.2 | 0 | 0 | 0 | 111.4 | L1010 V1012 A1016 L1017 E1018 A1068 M1653 R1684 L1687 | L1010-L1014 HydrophobicContact CD1-CD1 3.73Å; L1010-L1014 HydrophobicContact CD1-CG 4.1Å; L1010-L1014 HydrophobicContact CG-CD1 4.07Å; L1010-L1014 WeakPolarHBondContact O-CB 3.48Å; L1010-L1014 VanDerWaalsContact O-CG 3.25Å; L1010-L1014 WeakPolarHBondContact O-CG 3.44Å; L1010-L1014 PolarHBondContact O-N 3.25Å; V1012-L1014 PolarHBondContact O-N 3.3Å; L1014-A1016 VanDerWaalsContact C-N 3.27Å; L1014-A1016 PolarHBondContact O-N 3.49Å; L1014-L1017 PolarHBondContact O-N 3.3Å; L1014-E1018 VanDerWaalsContact O-CB 3.32Å; L1014-E1018 WeakPolarHBondContact O-CB 3.45Å; L1014-E1018 WeakPolarHBondContact O-CG 3.44Å; L1014-E1018 PolarHBondContact O-N 3.02Å; L1014-A1068 HydrophobicContact CD2-CB 3.53Å; L1014-M1653 HydrophobicContact CD1-CE 4.09Å; L1014-R1684 HydrophobicContact CD1-CG 4.45Å; L1014-L1687 HydrophobicContact CD2-CD1 3.79Å |
| 1015 | A | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.3 | -33.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L878 N1011 V1012 L1019 T1657 | L878-A1015 HydrophobicContact CD1-CB 3.78Å; N1011-A1015 VanDerWaalsContact O-CB 3.32Å; N1011-A1015 WeakPolarHBondContact O-CB 3.46Å; N1011-A1015 PolarHBondContact O-N 3.41Å; V1012-A1015 PolarHBondContact O-N 3.01Å; A1015-L1019 WeakPolarHBondContact O-CB 3.27Å; A1015-L1019 PolarHBondContact O-N 3.34Å; A1015-T1657 HydrophobicContact CB-CG2 4.06Å; A1015-T1657 PolarHBondContact O-OG1 3.43Å |
| 1016 | A | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -71.7 | -41.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L878 V998 L1002 W1006 V1012 S1013 L1014 L1019 L1020 | L878-A1016 HydrophobicContact CD1-CB 4.4Å; V998-A1016 HydrophobicContact CG1-CB 3.79Å; L1002-A1016 HydrophobicContact CD1-CB 4.18Å; W1006-A1016 HydrophobicContact CE3-CB 4.04Å; W1006-A1016 HydrophobicContact CZ3-CB 4.2Å; V1012-A1016 VanDerWaalsContact O-CB 3.27Å; V1012-A1016 WeakPolarHBondContact O-CB 3.4Å; V1012-A1016 PolarHBondContact O-N 3.12Å; S1013-A1016 PolarHBondContact O-N 2.91Å; L1014-A1016 VanDerWaalsContact C-N 3.27Å; L1014-A1016 PolarHBondContact O-N 3.49Å; A1016-L1019 PolarHBondContact O-N 2.9Å; A1016-L1020 VanDerWaalsContact O-CG 3.3Å; A1016-L1020 WeakPolarHBondContact O-CG 3.3Å; A1016-L1020 PolarHBondContact O-N 2.93Å |
| 1017 | L | 96.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.7 | -35.1 | 174.8 | -70.7 | 168.3 | 0 | 0 | 0 | 112.2 | L1002 S1013 L1014 S1021 Y1046 A1068 A1069 C1072 | L1002-L1017 HydrophobicContact CD2-CD2 3.76Å; L1002-L1017 HydrophobicContact CD2-CG 4.15Å; S1013-L1017 WeakPolarHBondContact O-CB 3.46Å; S1013-L1017 VanDerWaalsContact O-CG 3.29Å; S1013-L1017 WeakPolarHBondContact O-CG 3.3Å; S1013-L1017 PolarHBondContact O-N 2.96Å; L1014-L1017 PolarHBondContact O-N 3.3Å; L1017-S1021 VanDerWaalsContact O-CB 3.26Å; L1017-S1021 WeakPolarHBondContact O-CB 3.38Å; L1017-S1021 PolarHBondContact O-N 2.84Å; L1017-S1021 PolarHBondContact O-OG 3.01Å; L1017-Y1046 HydrophobicContact CD1-CE1 4.38Å; L1017-A1068 HydrophobicContact CD1-CB 3.96Å; L1017-A1069 HydrophobicContact CD1-CB 4.04Å; L1017-A1069 HydrophobicContact CD2-CB 4.08Å; L1017-C1072 HydrophobicContact CD2-CB 3.98Å |
| 1018 | E | 95.8 | Very high | 92.1 | Very high | 14 Ų | 14 | 22.1 Ų | 22.1 | 7% | 0.065 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.8 | -43.3 | 171.2 | -74.6 | 162.7 | -170.4 | 0 | 0 | 111.1 | L1014 S1021 G1022 T1657 N1680 R1684 | L1014-E1018 VanDerWaalsContact O-CB 3.32Å; L1014-E1018 WeakPolarHBondContact O-CB 3.45Å; L1014-E1018 WeakPolarHBondContact O-CG 3.44Å; L1014-E1018 PolarHBondContact O-N 3.02Å; E1018-S1021 PolarHBondContact O-N 3.05Å; E1018-G1022 PolarHBondContact O-N 2.85Å; E1018-T1657 WeakPolarHBondContact CB-OG1 3.49Å; E1018-T1657 PolarHBondContact OE2-N 3.37Å; E1018-T1657 PolarHBondContact OE2-OG1 3.14Å; E1018-N1680 HydrophobicContact CG-CB 4.06Å; E1018-R1684 WeakPolarHBondContact OE1-CG 3.47Å; E1018-R1684 IonicContact OE1-CZ 3.1Å; E1018-R1684 IonicContact OE1-NE 3.8Å; E1018-R1684 PolarHBondContact OE1-NE 3.05Å; E1018-R1684 IonicContact OE1-NH2 2.82Å; E1018-R1684 PolarHBondContact OE1-NH2 3.49Å; E1018-R1684 IonicContact OE2-CZ 3.78Å; E1018-R1684 IonicContact OE2-NE 3.25Å; E1018-R1684 PolarHBondContact OE2-NE 2.95Å; E1018-R1684 IonicContact OE2-NH2 3.43Å; E1018-R1684 PolarHBondContact OE2-NH2 2.69Å |
| 1019 | L | 96 | Very high | 91.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61 | -50.5 | 173.3 | -177.8 | 157 | 0 | 0 | 0 | 111.6 | L878 L881 L882 V998 A1015 A1016 S1021 G1022 L1023 | L878-L1019 HydrophobicContact CB-CD1 4.07Å; L878-L1019 HydrophobicContact CD2-CD1 3.68Å; L878-L1019 VanDerWaalsContact O-CD1 3.32Å; L878-L1019 WeakPolarHBondContact O-CD1 3.39Å; L881-L1019 HydrophobicContact CB-CD1 4.05Å; L881-L1019 HydrophobicContact CD2-CD1 3.98Å; L881-L1019 HydrophobicContact CG-CD1 4.14Å; L882-L1019 HydrophobicContact CB-CD1 4.44Å; L882-L1019 HydrophobicContact CB-CG 4.24Å; V998-L1019 HydrophobicContact CB-CD2 4.3Å; V998-L1019 HydrophobicContact CG1-CD2 4.18Å; V998-L1019 HydrophobicContact CG2-CD1 4.12Å; V998-L1019 HydrophobicContact CG2-CD2 3.92Å; A1015-L1019 WeakPolarHBondContact O-CB 3.27Å; A1015-L1019 PolarHBondContact O-N 3.34Å; A1016-L1019 PolarHBondContact O-N 2.9Å; L1019-S1021 VanDerWaalsContact C-N 3.27Å; L1019-S1021 PolarHBondContact O-N 3.46Å; L1019-G1022 CarbonylContact O-C 3.54Å; L1019-G1022 WeakPolarHBondContact O-CA 3.28Å; L1019-G1022 PolarHBondContact O-N 3.06Å; L1019-L1023 HydrophobicContact CD2-CD1 3.47Å; L1019-L1023 VanDerWaalsContact CD2-CD1 3.47Å; L1019-L1023 HydrophobicContact CD2-CG 3.74Å; L1019-L1023 PolarHBondContact O-N 3.46Å |
| 1020 | L | 96.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.6 | -35.1 | 179.1 | -69.9 | 168.7 | 0 | 0 | 0 | 111.9 | T995 V998 C999 L1002 A1016 G1022 A1024 I1043 W1076 | T995-L1020 HydrophobicContact CG2-CD2 4.48Å; V998-L1020 HydrophobicContact CB-CD2 4.37Å; V998-L1020 HydrophobicContact CG1-CD1 4.08Å; V998-L1020 HydrophobicContact CG1-CD2 4.16Å; V998-L1020 HydrophobicContact CG1-CG 3.87Å; C999-L1020 VanDerWaalsContact SG-CD1 3.58Å; C999-L1020 VanDerWaalsContact SG-CD2 3.52Å; L1002-L1020 HydrophobicContact CD2-CD1 4.14Å; A1016-L1020 VanDerWaalsContact O-CG 3.3Å; A1016-L1020 WeakPolarHBondContact O-CG 3.3Å; A1016-L1020 PolarHBondContact O-N 2.93Å; L1020-G1022 VanDerWaalsContact C-N 3.27Å; L1020-G1022 PolarHBondContact O-N 2.71Å; L1020-A1024 WeakPolarHBondContact O-CB 3.32Å; L1020-A1024 PolarHBondContact O-N 3.27Å; L1020-A1024 VanDerWaalsContact O-N 3.09Å; L1020-I1043 HydrophobicContact CD1-CG1 4.41Å; L1020-W1076 HydrophobicContact CD2-CZ2 4.39Å; L1020-W1076 PolarHBondContact O-NE1 3.4Å; L1020-W1076 VanDerWaalsContact O-NE1 3.17Å |
| 1021 | S | 95.6 | Very high | 89.1 | Confident | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.063 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.7 | -22.6 | 172.9 | -60.5 | 0 | 0 | 0 | 0 | 113.5 | L1017 E1018 L1019 R1025 C1072 | L1017-S1021 VanDerWaalsContact O-CB 3.26Å; L1017-S1021 WeakPolarHBondContact O-CB 3.38Å; L1017-S1021 PolarHBondContact O-N 2.84Å; L1017-S1021 PolarHBondContact O-OG 3.01Å; E1018-S1021 PolarHBondContact O-N 3.05Å; L1019-S1021 VanDerWaalsContact C-N 3.27Å; L1019-S1021 PolarHBondContact O-N 3.46Å; S1021-R1025 VanDerWaalsContact O-CD 3.22Å; S1021-R1025 WeakPolarHBondContact O-CD 3.44Å; S1021-R1025 WeakPolarHBondContact O-CG 3.1Å; S1021-R1025 PolarHBondContact O-NE 3.04Å; S1021-C1072 WeakPolarHBondContact OG-CA 3.45Å; S1021-C1072 PolarHBondContact OG-SG 3.39Å |
| 1022 | G | 94 | Very high | 88.4 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -81 | -47.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1018 L1019 L1020 A1024 R1025 | E1018-G1022 PolarHBondContact O-N 2.85Å; L1019-G1022 CarbonylContact O-C 3.54Å; L1019-G1022 WeakPolarHBondContact O-CA 3.28Å; L1019-G1022 PolarHBondContact O-N 3.06Å; L1020-G1022 VanDerWaalsContact C-N 3.27Å; L1020-G1022 PolarHBondContact O-N 2.71Å; G1022-A1024 VanDerWaalsContact C-N 3.3Å; G1022-A1024 PolarHBondContact O-N 2.89Å; G1022-R1025 WeakPolarHBondContact O-CB 3.49Å; G1022-R1025 PolarHBondContact O-N 3.26Å |
| 1023 | L | 94.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.9 | -42.7 | 176.2 | -70.7 | -175 | 0 | 0 | 0 | 111.9 | L882 V885 F991 A994 L1019 R1025 L1026 | L882-L1023 HydrophobicContact CD1-CD2 4.03Å; L882-L1023 HydrophobicContact CD1-CG 4.46Å; V885-L1023 HydrophobicContact CB-CD2 3.98Å; V885-L1023 HydrophobicContact CG1-CD2 3.96Å; V885-L1023 HydrophobicContact CG2-CD2 4.16Å; F991-L1023 HydrophobicContact CD2-CB 4.2Å; F991-L1023 HydrophobicContact CD2-CD2 4.32Å; F991-L1023 HydrophobicContact CE2-CB 4.02Å; A994-L1023 HydrophobicContact CB-CD1 3.95Å; L1019-L1023 HydrophobicContact CD2-CD1 3.47Å; L1019-L1023 VanDerWaalsContact CD2-CD1 3.47Å; L1019-L1023 HydrophobicContact CD2-CG 3.74Å; L1019-L1023 PolarHBondContact O-N 3.46Å; L1023-R1025 PolarHBondContact O-N 3.42Å; L1023-L1026 HydrophobicContact CD2-CD1 3.71Å; L1023-L1026 WeakPolarHBondContact O-CB 3.2Å; L1023-L1026 PolarHBondContact O-N 3.06Å |
| 1024 | A | 92.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -20.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1020 G1022 A1075 W1076 Q1079 | L1020-A1024 WeakPolarHBondContact O-CB 3.32Å; L1020-A1024 PolarHBondContact O-N 3.27Å; L1020-A1024 VanDerWaalsContact O-N 3.09Å; G1022-A1024 VanDerWaalsContact C-N 3.3Å; G1022-A1024 PolarHBondContact O-N 2.89Å; A1024-A1075 HydrophobicContact CB-CB 4.45Å; A1024-W1076 HydrophobicContact CB-CD2 3.81Å; A1024-W1076 HydrophobicContact CB-CE3 4.38Å; A1024-W1076 HydrophobicContact CB-CG 3.87Å; A1024-W1076 HydrophobicContact CB-CZ2 4.41Å; A1024-Q1079 WeakPolarHBondContact O-CB 3.38Å; A1024-Q1079 VanDerWaalsContact O-CG 3.22Å; A1024-Q1079 WeakPolarHBondContact O-CG 3.45Å |
| 1025 | R | 91.5 | Very high | 87.3 | Confident | 46 Ų | 46 | 39.3 Ų | 39.3 | 17% | 0.174 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -0.8 | -177.7 | -61.7 | 166.2 | -173.3 | -104.7 | -7.1 | 112.9 | S1021 G1022 L1023 H1027 Q1079 D1494 | S1021-R1025 VanDerWaalsContact O-CD 3.22Å; S1021-R1025 WeakPolarHBondContact O-CD 3.44Å; S1021-R1025 WeakPolarHBondContact O-CG 3.1Å; S1021-R1025 PolarHBondContact O-NE 3.04Å; G1022-R1025 WeakPolarHBondContact O-CB 3.49Å; G1022-R1025 PolarHBondContact O-N 3.26Å; L1023-R1025 PolarHBondContact O-N 3.42Å; R1025-H1027 PolarHBondContact O-ND1 3.43Å; R1025-Q1079 HydrophobicContact CG-CG 4.24Å; R1025-D1494 IonicContact CZ-OD2 3.5Å; R1025-D1494 IonicContact NH1-OD2 2.79Å; R1025-D1494 PolarHBondContact NH1-OD2 3.32Å; R1025-D1494 IonicContact NH2-OD2 2.68Å; R1025-D1494 PolarHBondContact NH2-OD2 3.29Å |
| 1026 | L | 89.3 | Confident | 87.2 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | trans | -81.8 | 121.7 | 179.1 | -60.1 | -177.1 | 0 | 0 | 0 | 110.4 | V885 Q886 V889 L1023 I1028 | V885-L1026 HydrophobicContact CB-CD1 4.1Å; V885-L1026 HydrophobicContact CG1-CD1 3.55Å; Q886-L1026 HydrophobicContact CB-CD2 4.24Å; Q886-L1026 VanDerWaalsContact CD-CD2 3.47Å; Q886-L1026 HydrophobicContact CG-CD2 4.45Å; V889-L1026 HydrophobicContact CG2-CB 4.35Å; V889-L1026 HydrophobicContact CG2-CD1 4.27Å; L1023-L1026 HydrophobicContact CD2-CD1 3.71Å; L1023-L1026 WeakPolarHBondContact O-CB 3.2Å; L1023-L1026 PolarHBondContact O-N 3.06Å; L1026-I1028 HydrophobicContact CB-CG1 4.35Å; L1026-I1028 PolarHBondContact O-N 2.87Å; L1026-I1028 VanDerWaalsContact O-N 3.08Å | ||
| 1027 | H | 81.3 | Confident | 87 | Confident | 131 Ų | 131 | 41.8 Ų | 41.8 | 61% | 0.606 | 20% | 0.203 | S | C | * | . | trans | -86.7 | 78.9 | -175.8 | -73.7 | 56.9 | 0 | 0 | 0 | 110.7 | R1025 | R1025-H1027 PolarHBondContact O-ND1 3.43Š| ||
| 1028 | I | 82.2 | Confident | 86.9 | Confident | 22 Ų | 22 | 46.2 Ų | 46.2 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | trans | -83.4 | 130.5 | 179.7 | -55.8 | -179.7 | 0 | 0 | 0 | 109.3 | V889 H988 F991 L1026 E1030 T1031 | V889-I1028 HydrophobicContact CG2-CD1 4.22Å; V889-I1028 HydrophobicContact CG2-CG1 3.89Å; H988-I1028 HydrophobicContact CB-CG2 4.05Å; F991-I1028 HydrophobicContact CB-CD1 3.3Å; F991-I1028 HydrophobicContact CD1-CD1 3.91Å; F991-I1028 HydrophobicContact CD2-CD1 3.54Å; F991-I1028 HydrophobicContact CE2-CD1 4.27Å; F991-I1028 HydrophobicContact CG-CD1 3.32Å; L1026-I1028 HydrophobicContact CB-CG1 4.35Å; L1026-I1028 PolarHBondContact O-N 2.87Å; L1026-I1028 VanDerWaalsContact O-N 3.08Å; I1028-E1030 PolarHBondContact O-N 3.12Å; I1028-T1031 HydrophobicContact CB-CG2 4.39Å; I1028-T1031 WeakPolarHBondContact O-CG2 3.36Å | ||
| 1029 | R | 69.9 | Low | 86.8 | Confident | 183 Ų | 183 | 45.5 Ų | 45.5 | 69% | 0.691 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -61.6 | -31.9 | -175.9 | -63.7 | -175.9 | 180 | -154.6 | -0.3 | 113.6 | ||
| 1030 | E | 68.1 | Low | 86.9 | Confident | 140 Ų | 140 | 45.6 Ų | 45.6 | 65% | 0.654 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -117 | 86.7 | 174.8 | -66.4 | 176.1 | -177 | 0 | 0 | 108.1 | H988 I1028 | H988-E1030 PolarHBondContact CD2-O 3.26Å; H988-E1030 PolarHBondContact NE2-O 3.35Å; I1028-E1030 PolarHBondContact O-N 3.12Å |
| 1031 | T | 66.3 | Low | 86.8 | Confident | 50 Ų | 50 | 50.1 Ų | 50.1 | 31% | 0.307 | 24% | 0.237 | S | C | . | . | trans | -80.8 | 113.9 | 172 | 49 | 0 | 0 | 0 | 0 | 110.5 | I1028 A1033 Y1082 | I1028-T1031 HydrophobicContact CB-CG2 4.39Å; I1028-T1031 WeakPolarHBondContact O-CG2 3.36Å; T1031-A1033 PolarHBondContact O-N 3.1Å; T1031-Y1082 PolarHBondContact OG1-OH 2.95Å | ||
| 1032 | D | 73.6 | Confident | 86.8 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 33% | 0.326 | 24% | 0.243 | S | C | . | . | trans | -64.1 | 100.3 | 166.9 | -175.8 | -12.3 | 0 | 0 | 0 | 110.3 | L1034 E1035 C1036 | D1032-L1034 PolarHBondContact O-N 3.49Å; D1032-L1034 WeakPolarHBondContact OD1-CA 3.41Å; D1032-L1034 VanDerWaalsContact OD1-CB 3.22Å; D1032-L1034 WeakPolarHBondContact OD1-CB 3.44Å; D1032-L1034 PolarHBondContact OD1-N 2.98Å; D1032-E1035 HydrophobicContact CB-CB 4.18Å; D1032-E1035 PolarHBondContact O-N 3.13Å; D1032-E1035 PolarHBondContact OD1-N 3.39Å; D1032-C1036 PolarHBondContact O-N 2.9Å; D1032-C1036 PolarHBondContact O-SG 2.96Å | ||
| 1033 | A | 83 | Confident | 87 | Confident | 46 Ų | 46 | 52 Ų | 52 | 38% | 0.38 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.3 | -25 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1031 K1037 Y1082 | T1031-A1033 PolarHBondContact O-N 3.1Å; A1033-K1037 WeakPolarHBondContact O-CB 3.43Å; A1033-K1037 PolarHBondContact O-N 3.24Å; A1033-Y1082 HydrophobicContact CB-CD2 4.11Å; A1033-Y1082 HydrophobicContact CB-CE2 3.54Å |
| 1034 | L | 87.1 | Confident | 87.1 | Confident | 108 Ų | 108 | 52 Ų | 52 | 57% | 0.565 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -78.2 | -40 | 179.8 | -161.4 | 155.2 | 0 | 0 | 0 | 110.8 | D1032 K1037 R1038 | D1032-L1034 PolarHBondContact O-N 3.49Å; D1032-L1034 WeakPolarHBondContact OD1-CA 3.41Å; D1032-L1034 VanDerWaalsContact OD1-CB 3.22Å; D1032-L1034 WeakPolarHBondContact OD1-CB 3.44Å; D1032-L1034 PolarHBondContact OD1-N 2.98Å; L1034-K1037 PolarHBondContact O-N 3.28Å; L1034-R1038 WeakPolarHBondContact O-CB 3.28Å; L1034-R1038 PolarHBondContact O-N 2.83Å |
| 1035 | E | 88.1 | Confident | 87.3 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.009 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.7 | -37.3 | 170 | -169.4 | 61.5 | -161.2 | 0 | 0 | 111.4 | V992 T995 D1032 K1037 R1038 A1039 | V992-E1035 HydrophobicContact CG1-CG 4.22Å; V992-E1035 HydrophobicContact CG2-CG 4.48Å; T995-E1035 HydrophobicContact CG2-CG 4.27Å; D1032-E1035 HydrophobicContact CB-CB 4.18Å; D1032-E1035 PolarHBondContact O-N 3.13Å; D1032-E1035 PolarHBondContact OD1-N 3.39Å; E1035-K1037 PolarHBondContact O-N 3.23Å; E1035-R1038 WeakPolarHBondContact O-CB 3.29Å; E1035-R1038 PolarHBondContact O-N 3.19Å; E1035-R1038 WeakPolarHBondContact OE2-CD 3.47Å; E1035-R1038 IonicContact OE2-CZ 3.98Å; E1035-R1038 IonicContact OE2-NE 3.45Å; E1035-R1038 IonicContact OE2-NH1 3.55Å; E1035-R1038 PolarHBondContact OE2-NH1 3.23Å; E1035-A1039 WeakPolarHBondContact O-CB 3.37Å; E1035-A1039 PolarHBondContact O-N 3.38Å |
| 1036 | C | 92.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -44.1 | 173 | -62 | 0 | 0 | 0 | 0 | 111.9 | D1032 R1038 A1039 V1040 W1076 L1083 | D1032-C1036 PolarHBondContact O-N 2.9Å; D1032-C1036 PolarHBondContact O-SG 2.96Å; C1036-R1038 VanDerWaalsContact C-N 3.34Å; C1036-R1038 PolarHBondContact O-N 3.26Å; C1036-A1039 PolarHBondContact O-N 3.34Å; C1036-V1040 PolarHBondContact O-N 2.91Å; C1036-V1040 VanDerWaalsContact O-N 3.12Å; C1036-W1076 HydrophobicContact CB-CE3 4.4Å; C1036-W1076 HydrophobicContact CB-CZ3 4.12Å; C1036-L1083 HydrophobicContact CB-CD1 4.12Å; C1036-L1083 HydrophobicContact CB-CD2 3.93Å; C1036-L1083 HydrophobicContact CB-CG 4.49Å |
| 1037 | K | 93.5 | Very high | 87.8 | Confident | 53 Ų | 53 | 52 Ų | 52 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 172.7 | 177.3 | 175.9 | 175.3 | 173.7 | 0 | 111.7 | A1033 L1034 E1035 K1041 L1083 D1086 D1088 C1089 | A1033-K1037 WeakPolarHBondContact O-CB 3.43Å; A1033-K1037 PolarHBondContact O-N 3.24Å; L1034-K1037 PolarHBondContact O-N 3.28Å; E1035-K1037 PolarHBondContact O-N 3.23Å; K1037-K1041 WeakPolarHBondContact O-CB 3.48Å; K1037-K1041 PolarHBondContact O-N 2.87Å; K1037-L1083 HydrophobicContact CB-CD2 4.13Å; K1037-D1086 WeakPolarHBondContact CE-OD1 3.32Å; K1037-D1086 WeakPolarHBondContact CE-OD2 3.36Å; K1037-D1086 IonicContact NZ-OD1 2.67Å; K1037-D1086 PolarHBondContact NZ-OD1 3.2Å; K1037-D1086 IonicContact NZ-OD2 2.69Å; K1037-D1086 PolarHBondContact NZ-OD2 2.89Å; K1037-D1088 IonicContact NZ-OD2 3.72Å; K1037-D1088 PolarHBondContact NZ-OD2 3.04Å; K1037-C1089 HydrophobicContact CG-CB 4.28Å |
| 1038 | R | 93.1 | Very high | 88.5 | Confident | 95 Ų | 95 | 47.2 Ų | 47.2 | 36% | 0.358 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.6 | -43.4 | 176.1 | -173.8 | -178.7 | -66.1 | 155 | -3.5 | 112.1 | L1034 E1035 C1036 K1041 W1042 | L1034-R1038 WeakPolarHBondContact O-CB 3.28Å; L1034-R1038 PolarHBondContact O-N 2.83Å; E1035-R1038 WeakPolarHBondContact O-CB 3.29Å; E1035-R1038 PolarHBondContact O-N 3.19Å; E1035-R1038 WeakPolarHBondContact OE2-CD 3.47Å; E1035-R1038 IonicContact OE2-CZ 3.98Å; E1035-R1038 IonicContact OE2-NE 3.45Å; E1035-R1038 IonicContact OE2-NH1 3.55Å; E1035-R1038 PolarHBondContact OE2-NH1 3.23Å; C1036-R1038 VanDerWaalsContact C-N 3.34Å; C1036-R1038 PolarHBondContact O-N 3.26Å; R1038-K1041 PolarHBondContact O-N 3.05Å; R1038-W1042 HydrophobicContact CG-CD2 4.03Å; R1038-W1042 HydrophobicContact CG-CE3 3.83Å; R1038-W1042 HydrophobicContact CG-CH2 4.32Å; R1038-W1042 HydrophobicContact CG-CZ2 4.4Å; R1038-W1042 HydrophobicContact CG-CZ3 3.99Å; R1038-W1042 PolarHBondContact O-N 2.98Å |
| 1039 | A | 95.1 | Very high | 89 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.8 | -51.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T995 E1035 C1036 K1041 W1042 I1043 W1076 | T995-A1039 HydrophobicContact CG2-CB 3.59Å; E1035-A1039 WeakPolarHBondContact O-CB 3.37Å; E1035-A1039 PolarHBondContact O-N 3.38Å; C1036-A1039 PolarHBondContact O-N 3.34Å; A1039-K1041 VanDerWaalsContact C-N 3.33Å; A1039-K1041 PolarHBondContact O-N 3.07Å; A1039-W1042 PolarHBondContact O-N 2.7Å; A1039-I1043 WeakPolarHBondContact O-CG1 3.4Å; A1039-I1043 PolarHBondContact O-N 3.35Å; A1039-W1076 HydrophobicContact CB-CD2 4.39Å; A1039-W1076 HydrophobicContact CB-CE3 4.33Å; A1039-W1076 HydrophobicContact CB-CH2 3.84Å; A1039-W1076 HydrophobicContact CB-CZ2 3.89Å; A1039-W1076 HydrophobicContact CB-CZ3 4.06Å |
| 1040 | V | 96.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -44.5 | 175.8 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | C1036 W1042 I1043 C1044 T1073 W1076 L1077 L1083 V1093 | C1036-V1040 PolarHBondContact O-N 2.91Å; C1036-V1040 VanDerWaalsContact O-N 3.12Å; V1040-W1042 PolarHBondContact O-N 3.43Å; V1040-I1043 PolarHBondContact O-N 3.1Å; V1040-C1044 WeakPolarHBondContact O-CB 3.32Å; V1040-C1044 PolarHBondContact O-N 3.03Å; V1040-C1044 PolarHBondContact O-SG 2.94Å; V1040-T1073 HydrophobicContact CG1-CG2 4.41Å; V1040-W1076 HydrophobicContact CG2-CB 3.61Å; V1040-W1076 HydrophobicContact CG2-CG 4.1Å; V1040-L1077 HydrophobicContact CG1-CD2 4.47Å; V1040-L1077 HydrophobicContact CG2-CD2 4.5Å; V1040-L1083 HydrophobicContact CG2-CD1 3.81Å; V1040-V1093 HydrophobicContact CG1-CG2 3.62Å |
| 1041 | K | 95.7 | Very high | 91.3 | Very high | 95 Ų | 95 | 36 Ų | 36 | 41% | 0.413 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -57 | -47 | 175.7 | 179.7 | 170.1 | 177.9 | 51.9 | 0 | 112.2 | K1037 R1038 A1039 C1044 D1045 T1092 | K1037-K1041 WeakPolarHBondContact O-CB 3.48Å; K1037-K1041 PolarHBondContact O-N 2.87Å; R1038-K1041 PolarHBondContact O-N 3.05Å; A1039-K1041 VanDerWaalsContact C-N 3.33Å; A1039-K1041 PolarHBondContact O-N 3.07Å; K1041-C1044 CarbonylContact O-C 3.53Å; K1041-C1044 WeakPolarHBondContact O-CB 3.27Å; K1041-C1044 PolarHBondContact O-N 2.86Å; K1041-D1045 IonicContact NZ-OD1 2.83Å; K1041-D1045 IonicContact NZ-OD2 2.68Å; K1041-D1045 VanDerWaalsContact O-CG 3.23Å; K1041-D1045 PolarHBondContact O-N 3.27Å; K1041-T1092 HydrophobicContact CG-CG2 4.5Å |
| 1042 | W | 96.1 | Very high | 92.5 | Very high | 51 Ų | 51 | 37.6 Ų | 37.6 | 19% | 0.193 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.6 | -32.5 | -179.8 | -79.9 | -26 | 0 | 0 | 0 | 114.1 | Y996 C999 H1000 R1038 A1039 V1040 D1045 Y1046 | Y996-W1042 AromaticContact CD2-CH2 3.65Å; Y996-W1042 HydrophobicContact CD2-CH2 3.65Å; Y996-W1042 HydrophobicContact CD2-CZ3 4.04Å; Y996-W1042 AromaticContact CE2-CH2 3.61Å; Y996-W1042 HydrophobicContact CE2-CH2 3.61Å; Y996-W1042 HydrophobicContact CE2-CZ2 4.45Å; Y996-W1042 HydrophobicContact CE2-CZ3 4.45Å; Y996-W1042 HydrophobicContact CG-CH2 4.34Å; C999-W1042 HydrophobicContact CB-CB 4.08Å; C999-W1042 HydrophobicContact CB-CD2 3.97Å; C999-W1042 HydrophobicContact CB-CE3 3.19Å; C999-W1042 HydrophobicContact CB-CG 4.41Å; C999-W1042 HydrophobicContact CB-CZ3 3.72Å; H1000-W1042 HydrophobicContact CB-CH2 4.36Å; R1038-W1042 HydrophobicContact CG-CD2 4.03Å; R1038-W1042 HydrophobicContact CG-CE3 3.83Å; R1038-W1042 HydrophobicContact CG-CH2 4.32Å; R1038-W1042 HydrophobicContact CG-CZ2 4.4Å; R1038-W1042 HydrophobicContact CG-CZ3 3.99Å; R1038-W1042 PolarHBondContact O-N 2.98Å; A1039-W1042 PolarHBondContact O-N 2.7Å; V1040-W1042 PolarHBondContact O-N 3.43Å; W1042-D1045 PolarHBondContact O-N 3.12Å; W1042-Y1046 WeakPolarHBondContact O-CB 3.42Å; W1042-Y1046 PolarHBondContact O-N 2.8Å |
| 1043 | I | 97.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.9 | -40.8 | 171.3 | -60.5 | 158.7 | 0 | 0 | 0 | 109.9 | L1020 A1039 V1040 Y1046 I1047 A1069 T1073 | L1020-I1043 HydrophobicContact CD1-CG1 4.41Å; A1039-I1043 WeakPolarHBondContact O-CG1 3.4Å; A1039-I1043 PolarHBondContact O-N 3.35Å; V1040-I1043 PolarHBondContact O-N 3.1Å; I1043-Y1046 WeakPolarHBondContact O-CB 3.26Å; I1043-Y1046 PolarHBondContact O-N 3.28Å; I1043-I1047 HydrophobicContact CG2-CD1 4.35Å; I1043-I1047 WeakPolarHBondContact O-CG1 3.41Å; I1043-I1047 PolarHBondContact O-N 2.94Å; I1043-A1069 HydrophobicContact CG2-CB 4.19Å; I1043-T1073 VanDerWaalsContact CG2-OG1 3.25Å; I1043-T1073 WeakPolarHBondContact CG2-OG1 3.25Å |
| 1044 | C | 96.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -42.6 | 172.9 | -77.9 | 0 | 0 | 0 | 0 | 113 | V1040 K1041 Y1046 I1047 C1048 T1092 V1096 | V1040-C1044 WeakPolarHBondContact O-CB 3.32Å; V1040-C1044 PolarHBondContact O-N 3.03Å; V1040-C1044 PolarHBondContact O-SG 2.94Å; K1041-C1044 CarbonylContact O-C 3.53Å; K1041-C1044 WeakPolarHBondContact O-CB 3.27Å; K1041-C1044 PolarHBondContact O-N 2.86Å; C1044-Y1046 VanDerWaalsContact C-N 3.34Å; C1044-I1047 PolarHBondContact O-N 3.18Å; C1044-C1048 PolarHBondContact O-N 3.1Å; C1044-C1048 PolarHBondContact O-SG 2.93Å; C1044-T1092 HydrophobicContact CB-CG2 3.75Å; C1044-V1096 HydrophobicContact CB-CB 4.47Å; C1044-V1096 HydrophobicContact CB-CG2 3.76Å |
| 1045 | D | 95.8 | Very high | 93.2 | Very high | 52 Ų | 52 | 39.8 Ų | 39.8 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.3 | -35.9 | 175.7 | -66.5 | -28.6 | 0 | 0 | 0 | 111 | I1003 K1041 W1042 C1048 Y1049 | I1003-D1045 HydrophobicContact CD1-CB 3.68Å; K1041-D1045 IonicContact NZ-OD1 2.83Å; K1041-D1045 IonicContact NZ-OD2 2.68Å; K1041-D1045 VanDerWaalsContact O-CG 3.23Å; K1041-D1045 PolarHBondContact O-N 3.27Å; W1042-D1045 PolarHBondContact O-N 3.12Å; D1045-C1048 WeakPolarHBondContact O-CB 3.26Å; D1045-C1048 PolarHBondContact O-N 3.29Å; D1045-Y1049 WeakPolarHBondContact O-CB 3.32Å; D1045-Y1049 PolarHBondContact O-N 3.12Å |
| 1046 | Y | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.2 | -44.6 | 172.1 | 176.5 | -89.9 | 0 | 0 | 0 | 112.3 | L1002 K1007 S1013 L1017 W1042 I1043 C1044 Y1049 Q1050 A1069 | L1002-Y1046 HydrophobicContact CD1-CD2 4.01Å; L1002-Y1046 HydrophobicContact CD1-CE2 3.42Å; L1002-Y1046 VanDerWaalsContact CD1-CE2 3.42Å; L1002-Y1046 HydrophobicContact CD2-CD2 4.22Å; L1002-Y1046 HydrophobicContact CD2-CE2 4.38Å; L1002-Y1046 HydrophobicContact CD2-CG 4.38Å; L1002-Y1046 HydrophobicContact CG-CD2 3.63Å; L1002-Y1046 HydrophobicContact CG-CE2 3.61Å; L1002-Y1046 HydrophobicContact CG-CG 4.27Å; K1007-Y1046 HydrophobicContact CB-CD2 4.29Å; K1007-Y1046 HydrophobicContact CB-CE2 3.68Å; S1013-Y1046 VanDerWaalsContact CB-OH 3.28Å; S1013-Y1046 WeakPolarHBondContact CB-OH 3.37Å; S1013-Y1046 PolarHBondContact OG-OH 3.43Å; L1017-Y1046 HydrophobicContact CD1-CE1 4.38Å; W1042-Y1046 WeakPolarHBondContact O-CB 3.42Å; W1042-Y1046 PolarHBondContact O-N 2.8Å; I1043-Y1046 WeakPolarHBondContact O-CB 3.26Å; I1043-Y1046 PolarHBondContact O-N 3.28Å; C1044-Y1046 VanDerWaalsContact C-N 3.34Å; Y1046-Y1049 PolarHBondContact O-N 2.73Å; Y1046-Q1050 HydrophobicContact CD1-CG 4.08Å; Y1046-Q1050 HydrophobicContact CE1-CG 3.72Å; Y1046-Q1050 HydrophobicContact CE2-CG 4.25Å; Y1046-Q1050 HydrophobicContact CG-CG 4.47Å; Y1046-Q1050 VanDerWaalsContact CZ-NE2 3.33Å; Y1046-Q1050 WeakPolarHBondContact O-CG 3.26Å; Y1046-Q1050 PolarHBondContact O-N 3.17Å; Y1046-Q1050 PolarHBondContact OH-NE2 3.19Å; Y1046-A1069 HydrophobicContact CD1-CB 4.07Å; Y1046-A1069 HydrophobicContact CE1-CB 4.23Å |
| 1047 | I | 96.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 174.5 | -67.3 | 162.9 | 0 | 0 | 0 | 110.3 | I1043 C1044 Y1049 Q1050 C1051 I1066 A1069 F1070 V1096 | I1043-I1047 HydrophobicContact CG2-CD1 4.35Å; I1043-I1047 WeakPolarHBondContact O-CG1 3.41Å; I1043-I1047 PolarHBondContact O-N 2.94Å; C1044-I1047 PolarHBondContact O-N 3.18Å; I1047-Y1049 VanDerWaalsContact C-N 3.33Å; I1047-Y1049 PolarHBondContact O-N 2.83Å; I1047-Q1050 PolarHBondContact O-N 2.89Å; I1047-C1051 WeakPolarHBondContact O-CB 3.45Å; I1047-C1051 PolarHBondContact O-N 3.36Å; I1047-C1051 PolarHBondContact O-SG 2.83Å; I1047-I1066 HydrophobicContact CG2-CG2 4.28Å; I1047-A1069 HydrophobicContact CD1-CB 3.88Å; I1047-A1069 HydrophobicContact CG1-CB 3.52Å; I1047-F1070 HydrophobicContact CD1-CD1 4.32Å; I1047-F1070 HydrophobicContact CD1-CD2 4.27Å; I1047-F1070 HydrophobicContact CD1-CE1 4.4Å; I1047-F1070 HydrophobicContact CD1-CE2 4.35Å; I1047-F1070 HydrophobicContact CD1-CG 4.24Å; I1047-F1070 HydrophobicContact CD1-CZ 4.41Å; I1047-F1070 HydrophobicContact CG2-CE2 3.72Å; I1047-F1070 HydrophobicContact CG2-CZ 3.84Å; I1047-V1096 HydrophobicContact CB-CG1 3.83Å; I1047-V1096 HydrophobicContact CD1-CG1 3.89Å; I1047-V1096 HydrophobicContact CG1-CG1 4.47Å; I1047-V1096 HydrophobicContact CG2-CG1 3.52Å |
| 1048 | C | 94.4 | Very high | 92.1 | Very high | 30 Ų | 30 | 47.7 Ų | 47.7 | 20% | 0.203 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.7 | -47.7 | 174.5 | -70.1 | 0 | 0 | 0 | 0 | 111.5 | C1044 D1045 C1051 S1052 V1096 L1099 | C1044-C1048 PolarHBondContact O-N 3.1Å; C1044-C1048 PolarHBondContact O-SG 2.93Å; D1045-C1048 WeakPolarHBondContact O-CB 3.26Å; D1045-C1048 PolarHBondContact O-N 3.29Å; C1048-C1051 PolarHBondContact O-N 2.86Å; C1048-S1052 VanDerWaalsContact O-CB 3.28Å; C1048-S1052 WeakPolarHBondContact O-CB 3.44Å; C1048-S1052 PolarHBondContact O-N 3.47Å; C1048-S1052 PolarHBondContact O-OG 3.09Å; C1048-V1096 VanDerWaalsContact SG-CG2 3.58Å; C1048-L1099 HydrophobicContact CB-CD2 4.43Å |
| 1049 | Y | 93.6 | Very high | 92 | Very high | 86 Ų | 86 | 45.6 Ų | 45.6 | 34% | 0.337 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.4 | -50.8 | 178.5 | 179.1 | -94.4 | 0 | 0 | 0 | 111.9 | K1007 D1045 Y1046 I1047 C1051 S1052 R1053 | K1007-Y1049 HydrophobicContact CB-CE1 4.37Å; K1007-Y1049 HydrophobicContact CD-CD1 3.99Å; K1007-Y1049 HydrophobicContact CD-CE1 3.53Å; K1007-Y1049 HydrophobicContact CG-CD1 4.41Å; K1007-Y1049 HydrophobicContact CG-CE1 3.83Å; D1045-Y1049 WeakPolarHBondContact O-CB 3.32Å; D1045-Y1049 PolarHBondContact O-N 3.12Å; Y1046-Y1049 PolarHBondContact O-N 2.73Å; I1047-Y1049 VanDerWaalsContact C-N 3.33Å; I1047-Y1049 PolarHBondContact O-N 2.83Å; Y1049-C1051 PolarHBondContact O-N 2.79Å; Y1049-S1052 PolarHBondContact O-N 3.34Å; Y1049-S1052 VanDerWaalsContact O-N 3.14Å; Y1049-S1052 PolarHBondContact O-OG 2.89Å; Y1049-R1053 WeakPolarHBondContact O-CG 3.48Å |
| 1050 | Q | 93.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -40.5 | -178.1 | -63.9 | -70.1 | 44.9 | 0 | 0 | 112.1 | K1007 Y1046 I1047 S1052 R1053 L1062 I1066 | K1007-Q1050 PolarHBondContact O-NE2 2.96Å; Y1046-Q1050 HydrophobicContact CD1-CG 4.08Å; Y1046-Q1050 HydrophobicContact CE1-CG 3.72Å; Y1046-Q1050 HydrophobicContact CE2-CG 4.25Å; Y1046-Q1050 HydrophobicContact CG-CG 4.47Å; Y1046-Q1050 VanDerWaalsContact CZ-NE2 3.33Å; Y1046-Q1050 WeakPolarHBondContact O-CG 3.26Å; Y1046-Q1050 PolarHBondContact O-N 3.17Å; Y1046-Q1050 PolarHBondContact OH-NE2 3.19Å; I1047-Q1050 PolarHBondContact O-N 2.89Å; Q1050-S1052 VanDerWaalsContact C-N 3.29Å; Q1050-S1052 PolarHBondContact O-N 2.89Å; Q1050-R1053 WeakPolarHBondContact O-CG 3.31Å; Q1050-R1053 PolarHBondContact O-N 2.82Å; Q1050-R1053 VanDerWaalsContact OE1-CD 3.26Å; Q1050-L1062 HydrophobicContact CB-CD1 3.89Å; Q1050-L1062 VanDerWaalsContact CD-CD1 3.46Å; Q1050-L1062 HydrophobicContact CG-CD1 4.16Å; Q1050-I1066 HydrophobicContact CB-CD1 3.86Å; Q1050-I1066 HydrophobicContact CB-CG1 3.57Å; Q1050-I1066 HydrophobicContact CG-CG1 4.43Å |
| 1051 | C | 92.8 | Very high | 91.3 | Very high | 21 Ų | 21 | 51.8 Ų | 51.8 | 14% | 0.142 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.3 | -27.6 | 173.8 | -72.2 | 0 | 0 | 0 | 0 | 113.2 | I1047 C1048 Y1049 R1053 L1099 | I1047-C1051 WeakPolarHBondContact O-CB 3.45Å; I1047-C1051 PolarHBondContact O-N 3.36Å; I1047-C1051 PolarHBondContact O-SG 2.83Å; C1048-C1051 PolarHBondContact O-N 2.86Å; Y1049-C1051 PolarHBondContact O-N 2.79Å; C1051-R1053 VanDerWaalsContact C-N 3.3Å; C1051-R1053 PolarHBondContact O-N 3.1Å; C1051-L1099 HydrophobicContact CB-CD2 4.2Å |
| 1052 | S | 90.8 | Very high | 91.2 | Very high | 84 Ų | 84 | 47.6 Ų | 47.6 | 59% | 0.587 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -4.4 | -179.3 | 76.5 | 0 | 0 | 0 | 0 | 114.9 | C1048 Y1049 Q1050 | C1048-S1052 VanDerWaalsContact O-CB 3.28Å; C1048-S1052 WeakPolarHBondContact O-CB 3.44Å; C1048-S1052 PolarHBondContact O-N 3.47Å; C1048-S1052 PolarHBondContact O-OG 3.09Å; Y1049-S1052 PolarHBondContact O-N 3.34Å; Y1049-S1052 VanDerWaalsContact O-N 3.14Å; Y1049-S1052 PolarHBondContact O-OG 2.89Å; Q1050-S1052 VanDerWaalsContact C-N 3.29Å; Q1050-S1052 PolarHBondContact O-N 2.89Å |
| 1053 | R | 90.3 | Very high | 91 | Very high | 65 Ų | 65 | 46.6 Ų | 46.6 | 25% | 0.245 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -67.8 | 147.5 | -175.4 | -62.9 | -172.7 | 72.8 | -175.7 | -1 | 110.8 | Y1049 Q1050 C1051 A1057 H1058 L1062 | Y1049-R1053 WeakPolarHBondContact O-CG 3.48Å; Q1050-R1053 WeakPolarHBondContact O-CG 3.31Å; Q1050-R1053 PolarHBondContact O-N 2.82Å; Q1050-R1053 VanDerWaalsContact OE1-CD 3.26Å; C1051-R1053 VanDerWaalsContact C-N 3.3Å; C1051-R1053 PolarHBondContact O-N 3.1Å; R1053-A1057 HydrophobicContact CB-CB 4.19Å; R1053-H1058 PolarHBondContact O-CD2 2.9Å; R1053-H1058 PolarHBondContact O-NE2 3.46Å; R1053-L1062 HydrophobicContact CB-CD2 4.39Å |
| 1054 | P | 86.4 | Confident | 90.8 | Very high | 85 Ų | 85 | 46.8 Ų | 46.8 | 55% | 0.552 | 27% | 0.27 | S | S | * | . | trans | -66.4 | 150.3 | -176.2 | 28.3 | -36.1 | 0 | 0 | 0 | 111 | P1056 A1057 | P1054-P1056 VanDerWaalsContact C-N 3.33Å; P1054-P1056 WeakPolarHBondContact O-CD 3.48Å; P1054-A1057 WeakPolarHBondContact O-CB 3.48Å; P1054-A1057 PolarHBondContact O-N 3.42Å | ||
| 1055 | P | 82.4 | Confident | 90.6 | Very high | 111 Ų | 111 | 46.9 Ų | 46.9 | 72% | 0.721 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -50.1 | -35.4 | -172.3 | -30.1 | 35.2 | 0 | 0 | 0 | 117.1 | A1057 H1058 | P1055-A1057 PolarHBondContact O-N 2.79Å; P1055-A1057 VanDerWaalsContact O-N 3.1Å; P1055-H1058 WeakPolarHBondContact O-CB 3.21Å; P1055-H1058 PolarHBondContact O-N 2.98Å |
| 1056 | P | 83 | Confident | 90.7 | Very high | 132 Ų | 132 | 44.4 Ų | 44.4 | 86% | 0.857 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -62.7 | -14 | 174.6 | -24.1 | 36 | 0 | 0 | 0 | 115.2 | P1054 | P1054-P1056 VanDerWaalsContact C-N 3.33Å; P1054-P1056 WeakPolarHBondContact O-CD 3.48Å |
| 1057 | A | 82.6 | Confident | 90.6 | Very high | 29 Ų | 29 | 45.1 Ų | 45.1 | 24% | 0.24 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -95.4 | -4.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1053 P1054 P1055 S1059 L1062 | R1053-A1057 HydrophobicContact CB-CB 4.19Å; P1054-A1057 WeakPolarHBondContact O-CB 3.48Å; P1054-A1057 PolarHBondContact O-N 3.42Å; P1055-A1057 PolarHBondContact O-N 2.79Å; P1055-A1057 VanDerWaalsContact O-N 3.1Å; A1057-S1059 PolarHBondContact O-N 3.43Å; A1057-L1062 WeakPolarHBondContact O-CD2 3.47Å |
| 1058 | H | 85.1 | Confident | 90.6 | Very high | 60 Ų | 60 | 45.6 Ų | 45.6 | 28% | 0.278 | 27% | 0.265 | S | S | . | . | trans | -75.6 | 85.6 | 177.8 | -80 | -129.3 | 0 | 0 | 0 | 110.9 | R1053 P1055 H1063 | R1053-H1058 PolarHBondContact O-CD2 2.9Å; R1053-H1058 PolarHBondContact O-NE2 3.46Å; P1055-H1058 WeakPolarHBondContact O-CB 3.21Å; P1055-H1058 PolarHBondContact O-N 2.98Å; H1058-H1063 AromaticContact CG-NE2 3.76Å; H1058-H1063 AromaticContact ND1-NE2 3.31Å; H1058-H1063 PolarHBondContact ND1-NE2 3.06Å | ||
| 1059 | S | 90.3 | Very high | 90.8 | Very high | 51 Ų | 51 | 44.1 Ų | 44.1 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | trans | -96.3 | 162.3 | 170.4 | 65.7 | 0 | 0 | 0 | 0 | 112.1 | A1057 D1061 L1062 H1063 | A1057-S1059 PolarHBondContact O-N 3.43Å; S1059-D1061 PolarHBondContact O-N 2.91Å; S1059-D1061 PolarHBondContact OG-N 2.77Å; S1059-L1062 WeakPolarHBondContact O-CB 3.35Å; S1059-L1062 PolarHBondContact O-N 3.4Å; S1059-L1062 VanDerWaalsContact O-N 3.16Å; S1059-L1062 PolarHBondContact OG-N 2.94Å; S1059-L1062 VanDerWaalsContact OG-N 3.14Å; S1059-H1063 PolarHBondContact O-N 3.46Å | ||
| 1060 | K | 88.2 | Confident | 91 | Very high | 63 Ų | 63 | 40.2 Ų | 40.2 | 27% | 0.274 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -45.4 | -46.8 | 163.4 | 168.4 | -174.9 | -179.9 | 172.7 | 0 | 111.9 | L1062 H1063 S1064 D1688 D1690 | K1060-L1062 VanDerWaalsContact C-N 3.35Å; K1060-L1062 PolarHBondContact O-N 3.5Å; K1060-H1063 PolarHBondContact O-N 2.93Å; K1060-S1064 WeakPolarHBondContact O-CB 3.25Å; K1060-S1064 PolarHBondContact O-N 3.44Å; K1060-S1064 PolarHBondContact O-OG 3.48Å; K1060-D1688 VanDerWaalsContact CE-O 3.22Å; K1060-D1688 WeakPolarHBondContact CE-O 3.4Å; K1060-D1688 WeakPolarHBondContact CE-OD1 3.41Å; K1060-D1688 PolarHBondContact NZ-O 3.39Å; K1060-D1688 IonicContact NZ-OD1 2.68Å; K1060-D1688 PolarHBondContact NZ-OD1 3.07Å; K1060-D1690 WeakPolarHBondContact CD-OD1 3.35Å; K1060-D1690 WeakPolarHBondContact CD-OD2 3.47Å; K1060-D1690 VanDerWaalsContact CE-CG 3.49Å; K1060-D1690 VanDerWaalsContact CE-OD1 3.24Å; K1060-D1690 WeakPolarHBondContact CE-OD1 3.22Å; K1060-D1690 WeakPolarHBondContact CE-OD2 3.48Å; K1060-D1690 VanDerWaalsContact CG-OD1 3.31Å; K1060-D1690 WeakPolarHBondContact CG-OD1 3.19Å; K1060-D1690 IonicContact NZ-OD1 2.7Å; K1060-D1690 IonicContact NZ-OD2 3.37Å; K1060-D1690 PolarHBondContact NZ-OD2 2.72Å |
| 1061 | D | 88.6 | Confident | 91.1 | Very high | 69 Ų | 69 | 44 Ų | 44 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | -177.3 | -50.7 | -5.9 | 0 | 0 | 0 | 110.9 | L1010 S1059 S1064 T1065 | L1010-D1061 HydrophobicContact CD1-CB 4.19Å; L1010-D1061 HydrophobicContact CD2-CB 4.05Å; S1059-D1061 PolarHBondContact O-N 2.91Å; S1059-D1061 PolarHBondContact OG-N 2.77Å; D1061-S1064 WeakPolarHBondContact O-CB 3.46Å; D1061-S1064 PolarHBondContact O-N 3.02Å; D1061-T1065 PolarHBondContact O-N 3.47Å |
| 1062 | L | 92.7 | Very high | 91.2 | Very high | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 174.4 | -176.2 | 71.6 | 0 | 0 | 0 | 111.6 | Q1050 R1053 A1057 S1059 K1060 S1064 T1065 I1066 | Q1050-L1062 HydrophobicContact CB-CD1 3.89Å; Q1050-L1062 VanDerWaalsContact CD-CD1 3.46Å; Q1050-L1062 HydrophobicContact CG-CD1 4.16Å; R1053-L1062 HydrophobicContact CB-CD2 4.39Å; A1057-L1062 WeakPolarHBondContact O-CD2 3.47Å; S1059-L1062 WeakPolarHBondContact O-CB 3.35Å; S1059-L1062 PolarHBondContact O-N 3.4Å; S1059-L1062 VanDerWaalsContact O-N 3.16Å; S1059-L1062 PolarHBondContact OG-N 2.94Å; S1059-L1062 VanDerWaalsContact OG-N 3.14Å; K1060-L1062 VanDerWaalsContact C-N 3.35Å; K1060-L1062 PolarHBondContact O-N 3.5Å; L1062-S1064 PolarHBondContact O-N 3.35Å; L1062-T1065 PolarHBondContact O-N 3.05Å; L1062-T1065 PolarHBondContact O-OG1 3.38Å; L1062-I1066 HydrophobicContact CG-CD1 4.16Å; L1062-I1066 WeakPolarHBondContact O-CG1 3.39Å; L1062-I1066 PolarHBondContact O-N 3.28Å; L1062-I1066 VanDerWaalsContact O-N 3.09Å |
| 1063 | H | 93 | Very high | 91.6 | Very high | 29 Ų | 29 | 39.1 Ų | 39.1 | 13% | 0.134 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.5 | -31 | 177.9 | -59.9 | 163.1 | 0 | 0 | 0 | 111.7 | H1058 S1059 K1060 I1066 V1067 A1125 S1126 V1129 | H1058-H1063 AromaticContact CG-NE2 3.76Å; H1058-H1063 AromaticContact ND1-NE2 3.31Å; H1058-H1063 PolarHBondContact ND1-NE2 3.06Å; S1059-H1063 PolarHBondContact O-N 3.46Å; K1060-H1063 PolarHBondContact O-N 2.93Å; H1063-I1066 PolarHBondContact O-N 2.91Å; H1063-V1067 VanDerWaalsContact O-CG2 3.31Å; H1063-V1067 WeakPolarHBondContact O-CG2 3.4Å; H1063-V1067 PolarHBondContact O-N 3.47Å; H1063-A1125 PolarHBondContact CE1-O 3.07Å; H1063-A1125 PolarHBondContact NE2-O 3.42Å; H1063-S1126 VanDerWaalsContact ND1-CB 3.34Å; H1063-S1126 WeakPolarHBondContact ND1-CB 3.28Å; H1063-S1126 PolarHBondContact ND1-OG 2.79Å; H1063-V1129 HydrophobicContact CB-CG2 4.27Å |
| 1064 | S | 92.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.2 | -40.8 | 176 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | K1060 D1061 L1062 V1067 A1068 | K1060-S1064 WeakPolarHBondContact O-CB 3.25Å; K1060-S1064 PolarHBondContact O-N 3.44Å; K1060-S1064 PolarHBondContact O-OG 3.48Å; D1061-S1064 WeakPolarHBondContact O-CB 3.46Å; D1061-S1064 PolarHBondContact O-N 3.02Å; L1062-S1064 PolarHBondContact O-N 3.35Å; S1064-V1067 PolarHBondContact O-N 3.43Å; S1064-A1068 WeakPolarHBondContact O-CB 3.43Å; S1064-A1068 PolarHBondContact O-N 3.09Å |
| 1065 | T | 94.1 | Very high | 92.2 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.7 | -34.5 | 173 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | L1010 D1061 L1062 A1068 A1069 | L1010-T1065 HydrophobicContact CD1-CG2 3.63Å; D1061-T1065 PolarHBondContact O-N 3.47Å; L1062-T1065 PolarHBondContact O-N 3.05Å; L1062-T1065 PolarHBondContact O-OG1 3.38Å; T1065-A1068 PolarHBondContact O-N 3.25Å; T1065-A1069 WeakPolarHBondContact O-CB 3.43Å; T1065-A1069 PolarHBondContact O-N 3.46Å |
| 1066 | I | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64 | -47.2 | 173.7 | -65.9 | 161.3 | 0 | 0 | 0 | 110.8 | I1047 Q1050 L1062 H1063 A1068 A1069 F1070 V1129 | I1047-I1066 HydrophobicContact CG2-CG2 4.28Å; Q1050-I1066 HydrophobicContact CB-CD1 3.86Å; Q1050-I1066 HydrophobicContact CB-CG1 3.57Å; Q1050-I1066 HydrophobicContact CG-CG1 4.43Å; L1062-I1066 HydrophobicContact CG-CD1 4.16Å; L1062-I1066 WeakPolarHBondContact O-CG1 3.39Å; L1062-I1066 PolarHBondContact O-N 3.28Å; L1062-I1066 VanDerWaalsContact O-N 3.09Å; H1063-I1066 PolarHBondContact O-N 2.91Å; I1066-A1068 VanDerWaalsContact C-N 3.34Å; I1066-A1068 PolarHBondContact O-N 3.12Å; I1066-A1069 WeakPolarHBondContact O-CB 3.42Å; I1066-A1069 PolarHBondContact O-N 2.99Å; I1066-A1069 VanDerWaalsContact O-N 3.13Å; I1066-F1070 HydrophobicContact CG2-CD2 3.82Å; I1066-F1070 HydrophobicContact CG2-CE2 3.66Å; I1066-F1070 WeakPolarHBondContact O-CD2 3.37Å; I1066-F1070 PolarHBondContact O-N 3.31Å; I1066-V1129 HydrophobicContact CB-CG2 4Å; I1066-V1129 HydrophobicContact CD1-CG2 4.41Å; I1066-V1129 HydrophobicContact CG2-CB 4.32Å; I1066-V1129 HydrophobicContact CG2-CG1 3.74Å; I1066-V1129 HydrophobicContact CG2-CG2 3.64Å |
| 1067 | V | 95.7 | Very high | 93.4 | Very high | 15 Ų | 15 | 21.3 Ų | 21.3 | 9% | 0.091 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 177 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | H1063 S1064 A1069 F1070 Q1071 R1128 V1129 A1132 L1687 | H1063-V1067 VanDerWaalsContact O-CG2 3.31Å; H1063-V1067 WeakPolarHBondContact O-CG2 3.4Å; H1063-V1067 PolarHBondContact O-N 3.47Å; S1064-V1067 PolarHBondContact O-N 3.43Å; V1067-A1069 VanDerWaalsContact C-N 3.32Å; V1067-A1069 PolarHBondContact O-N 2.99Å; V1067-F1070 PolarHBondContact O-N 3.28Å; V1067-Q1071 WeakPolarHBondContact O-CG 3.39Å; V1067-Q1071 PolarHBondContact O-N 3.17Å; V1067-Q1071 VanDerWaalsContact O-N 3.11Å; V1067-R1128 HydrophobicContact CG2-CB 4.14Å; V1067-R1128 WeakPolarHBondContact CG2-O 3.41Å; V1067-V1129 HydrophobicContact CG2-CG2 4.34Å; V1067-A1132 HydrophobicContact CB-CB 4.39Å; V1067-A1132 HydrophobicContact CG1-CB 4.12Å; V1067-A1132 HydrophobicContact CG2-CB 4.01Å; V1067-L1687 HydrophobicContact CB-CD2 4.01Å; V1067-L1687 HydrophobicContact CG1-CD2 3.76Å |
| 1068 | A | 95.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 21 Ų | 21 | 9% | 0.091 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63 | -36.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1014 L1017 S1064 T1065 I1066 Q1071 C1072 L1687 | L1014-A1068 HydrophobicContact CD2-CB 3.53Å; L1017-A1068 HydrophobicContact CD1-CB 3.96Å; S1064-A1068 WeakPolarHBondContact O-CB 3.43Å; S1064-A1068 PolarHBondContact O-N 3.09Å; T1065-A1068 PolarHBondContact O-N 3.25Å; I1066-A1068 VanDerWaalsContact C-N 3.34Å; I1066-A1068 PolarHBondContact O-N 3.12Å; A1068-Q1071 PolarHBondContact O-N 3.37Å; A1068-C1072 WeakPolarHBondContact O-CB 3.37Å; A1068-C1072 PolarHBondContact O-N 3.49Å; A1068-L1687 HydrophobicContact CB-CD1 4.14Å |
| 1069 | A | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.2 | -40.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1017 I1043 Y1046 I1047 T1065 I1066 V1067 Q1071 C1072 T1073 | L1017-A1069 HydrophobicContact CD1-CB 4.04Å; L1017-A1069 HydrophobicContact CD2-CB 4.08Å; I1043-A1069 HydrophobicContact CG2-CB 4.19Å; Y1046-A1069 HydrophobicContact CD1-CB 4.07Å; Y1046-A1069 HydrophobicContact CE1-CB 4.23Å; I1047-A1069 HydrophobicContact CD1-CB 3.88Å; I1047-A1069 HydrophobicContact CG1-CB 3.52Å; T1065-A1069 WeakPolarHBondContact O-CB 3.43Å; T1065-A1069 PolarHBondContact O-N 3.46Å; I1066-A1069 WeakPolarHBondContact O-CB 3.42Å; I1066-A1069 PolarHBondContact O-N 2.99Å; I1066-A1069 VanDerWaalsContact O-N 3.13Å; V1067-A1069 VanDerWaalsContact C-N 3.32Å; V1067-A1069 PolarHBondContact O-N 2.99Å; A1069-Q1071 VanDerWaalsContact C-N 3.31Å; A1069-Q1071 PolarHBondContact O-N 3.34Å; A1069-C1072 WeakPolarHBondContact O-CB 3.36Å; A1069-C1072 PolarHBondContact O-N 3.08Å; A1069-C1072 VanDerWaalsContact O-N 3.16Å; A1069-T1073 PolarHBondContact O-N 2.96Å; A1069-T1073 PolarHBondContact O-OG1 3.12Å |
| 1070 | F | 97.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 1% | 0.013 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.4 | -40.1 | 171.2 | -84.1 | -74.9 | 0 | 0 | 0 | 112.3 | I1047 I1066 V1067 T1073 A1074 V1096 V1129 A1132 A1133 L1136 | I1047-F1070 HydrophobicContact CD1-CD1 4.32Å; I1047-F1070 HydrophobicContact CD1-CD2 4.27Å; I1047-F1070 HydrophobicContact CD1-CE1 4.4Å; I1047-F1070 HydrophobicContact CD1-CE2 4.35Å; I1047-F1070 HydrophobicContact CD1-CG 4.24Å; I1047-F1070 HydrophobicContact CD1-CZ 4.41Å; I1047-F1070 HydrophobicContact CG2-CE2 3.72Å; I1047-F1070 HydrophobicContact CG2-CZ 3.84Å; I1066-F1070 HydrophobicContact CG2-CD2 3.82Å; I1066-F1070 HydrophobicContact CG2-CE2 3.66Å; I1066-F1070 WeakPolarHBondContact O-CD2 3.37Å; I1066-F1070 PolarHBondContact O-N 3.31Å; V1067-F1070 PolarHBondContact O-N 3.28Å; F1070-T1073 PolarHBondContact O-N 2.96Å; F1070-A1074 PolarHBondContact O-N 3.43Å; F1070-V1096 HydrophobicContact CE1-CG1 4.05Å; F1070-V1096 HydrophobicContact CZ-CG1 4.02Å; F1070-V1129 HydrophobicContact CE2-CG1 4.05Å; F1070-A1132 HydrophobicContact CB-CB 4.14Å; F1070-A1132 HydrophobicContact CD2-CB 4.43Å; F1070-A1132 HydrophobicContact CG-CB 4.41Å; F1070-A1133 HydrophobicContact CD1-CB 4.32Å; F1070-A1133 HydrophobicContact CE1-CB 3.77Å; F1070-A1133 HydrophobicContact CE2-CB 4.43Å; F1070-A1133 HydrophobicContact CZ-CB 3.83Å; F1070-L1136 HydrophobicContact CD1-CB 4.26Å; F1070-L1136 HydrophobicContact CD1-CD2 3.67Å; F1070-L1136 HydrophobicContact CE1-CD2 4.19Å |
| 1071 | Q | 95.8 | Very high | 94.4 | Very high | 82 Ų | 82 | 19 Ų | 19 | 38% | 0.383 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -66.8 | -36.1 | 174.5 | -68.8 | 172.7 | 12.4 | 0 | 0 | 112.5 | V1067 A1068 A1069 A1074 A1075 | V1067-Q1071 WeakPolarHBondContact O-CG 3.39Å; V1067-Q1071 PolarHBondContact O-N 3.17Å; V1067-Q1071 VanDerWaalsContact O-N 3.11Å; A1068-Q1071 PolarHBondContact O-N 3.37Å; A1069-Q1071 VanDerWaalsContact C-N 3.31Å; A1069-Q1071 PolarHBondContact O-N 3.34Å; Q1071-A1074 PolarHBondContact O-N 3.12Å; Q1071-A1075 PolarHBondContact O-N 2.87Å; Q1071-A1075 VanDerWaalsContact O-N 3.15Å |
| 1072 | C | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.7 | -46.8 | 173.4 | -171.6 | 0 | 0 | 0 | 0 | 111.2 | L1017 S1021 A1068 A1069 A1074 A1075 W1076 | L1017-C1072 HydrophobicContact CD2-CB 3.98Å; S1021-C1072 WeakPolarHBondContact OG-CA 3.45Å; S1021-C1072 PolarHBondContact OG-SG 3.39Å; A1068-C1072 WeakPolarHBondContact O-CB 3.37Å; A1068-C1072 PolarHBondContact O-N 3.49Å; A1069-C1072 WeakPolarHBondContact O-CB 3.36Å; A1069-C1072 PolarHBondContact O-N 3.08Å; A1069-C1072 VanDerWaalsContact O-N 3.16Å; C1072-A1074 VanDerWaalsContact C-N 3.3Å; C1072-A1074 PolarHBondContact O-N 2.94Å; C1072-A1075 WeakPolarHBondContact O-CB 3.22Å; C1072-A1075 PolarHBondContact O-N 2.76Å; C1072-A1075 VanDerWaalsContact O-N 3.08Å; C1072-W1076 PolarHBondContact O-N 2.98Å |
| 1073 | T | 97.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.9 | -41.7 | 174.9 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | V1040 I1043 A1069 F1070 A1075 W1076 L1077 V1093 L1136 | V1040-T1073 HydrophobicContact CG1-CG2 4.41Å; I1043-T1073 VanDerWaalsContact CG2-OG1 3.25Å; I1043-T1073 WeakPolarHBondContact CG2-OG1 3.25Å; A1069-T1073 PolarHBondContact O-N 2.96Å; A1069-T1073 PolarHBondContact O-OG1 3.12Å; F1070-T1073 PolarHBondContact O-N 2.96Å; T1073-A1075 VanDerWaalsContact C-N 3.31Å; T1073-A1075 PolarHBondContact O-N 2.76Å; T1073-W1076 PolarHBondContact O-N 2.94Å; T1073-L1077 HydrophobicContact CG2-CD1 3.92Å; T1073-L1077 HydrophobicContact CG2-CG 4.38Å; T1073-L1077 WeakPolarHBondContact O-CG 3.37Å; T1073-L1077 PolarHBondContact O-N 3.17Å; T1073-L1077 VanDerWaalsContact O-N 3.09Å; T1073-V1093 HydrophobicContact CG2-CG2 4.46Å; T1073-L1136 HydrophobicContact CG2-CD1 4.4Å; T1073-L1136 HydrophobicContact CG2-CD2 3.85Å |
| 1074 | A | 96 | Very high | 94.4 | Very high | 12 Ų | 12 | 19.1 Ų | 19.1 | 10% | 0.099 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.9 | -41 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1070 Q1071 C1072 M1078 L1136 I1139 | F1070-A1074 PolarHBondContact O-N 3.43Å; Q1071-A1074 PolarHBondContact O-N 3.12Å; C1072-A1074 VanDerWaalsContact C-N 3.3Å; C1072-A1074 PolarHBondContact O-N 2.94Å; A1074-M1078 WeakPolarHBondContact O-CB 3.37Å; A1074-M1078 WeakPolarHBondContact O-CG 3.13Å; A1074-M1078 PolarHBondContact O-N 3.38Å; A1074-M1078 VanDerWaalsContact O-N 3.08Å; A1074-L1136 HydrophobicContact CB-CD1 3.84Å; A1074-I1139 HydrophobicContact CB-CD1 4.06Å |
| 1075 | A | 94.9 | Very high | 94.3 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 6% | 0.058 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1024 Q1071 C1072 T1073 Q1079 | A1024-A1075 HydrophobicContact CB-CB 4.45Å; Q1071-A1075 PolarHBondContact O-N 2.87Å; Q1071-A1075 VanDerWaalsContact O-N 3.15Å; C1072-A1075 WeakPolarHBondContact O-CB 3.22Å; C1072-A1075 PolarHBondContact O-N 2.76Å; C1072-A1075 VanDerWaalsContact O-N 3.08Å; T1073-A1075 VanDerWaalsContact C-N 3.31Å; T1073-A1075 PolarHBondContact O-N 2.76Å; A1075-Q1079 VanDerWaalsContact O-CG 3.29Å; A1075-Q1079 WeakPolarHBondContact O-CG 3.2Å; A1075-Q1079 PolarHBondContact O-N 3.47Å |
| 1076 | W | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.5 | -46 | 177.3 | -79.4 | 87.1 | 0 | 0 | 0 | 112.5 | F991 T995 L1020 A1024 C1036 A1039 V1040 C1072 T1073 M1078 Q1079 H1080 | F991-W1076 HydrophobicContact CE2-CH2 4.09Å; F991-W1076 AromaticContact CZ-CH2 3.68Å; F991-W1076 HydrophobicContact CZ-CH2 3.68Å; F991-W1076 AromaticContact CZ-CZ3 3.93Å; F991-W1076 HydrophobicContact CZ-CZ3 3.93Å; T995-W1076 HydrophobicContact CG2-CH2 3.92Å; T995-W1076 HydrophobicContact CG2-CZ2 4.18Å; L1020-W1076 HydrophobicContact CD2-CZ2 4.39Å; L1020-W1076 PolarHBondContact O-NE1 3.4Å; L1020-W1076 VanDerWaalsContact O-NE1 3.17Å; A1024-W1076 HydrophobicContact CB-CD2 3.81Å; A1024-W1076 HydrophobicContact CB-CE3 4.38Å; A1024-W1076 HydrophobicContact CB-CG 3.87Å; A1024-W1076 HydrophobicContact CB-CZ2 4.41Å; C1036-W1076 HydrophobicContact CB-CE3 4.4Å; C1036-W1076 HydrophobicContact CB-CZ3 4.12Å; A1039-W1076 HydrophobicContact CB-CD2 4.39Å; A1039-W1076 HydrophobicContact CB-CE3 4.33Å; A1039-W1076 HydrophobicContact CB-CH2 3.84Å; A1039-W1076 HydrophobicContact CB-CZ2 3.89Å; A1039-W1076 HydrophobicContact CB-CZ3 4.06Å; V1040-W1076 HydrophobicContact CG2-CB 3.61Å; V1040-W1076 HydrophobicContact CG2-CG 4.1Å; C1072-W1076 PolarHBondContact O-N 2.98Å; T1073-W1076 PolarHBondContact O-N 2.94Å; W1076-M1078 PolarHBondContact O-N 2.87Å; W1076-Q1079 PolarHBondContact O-N 3.41Å; W1076-H1080 AromaticContact CE3-CD2 3.69Å; W1076-H1080 AromaticContact CE3-NE2 3.88Å; W1076-H1080 AromaticContact CZ3-NE2 3.96Å; W1076-H1080 WeakPolarHBondContact O-CB 3.36Å; W1076-H1080 PolarHBondContact O-CD2 3.09Å; W1076-H1080 PolarHBondContact O-N 2.99Å |
| 1077 | L | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.8 | -33.2 | -177.9 | -63.1 | 174.6 | 0 | 0 | 0 | 112.8 | V1040 T1073 H1080 L1083 L1084 V1093 L1136 I1140 V1144 | V1040-L1077 HydrophobicContact CG1-CD2 4.47Å; V1040-L1077 HydrophobicContact CG2-CD2 4.5Å; T1073-L1077 HydrophobicContact CG2-CD1 3.92Å; T1073-L1077 HydrophobicContact CG2-CG 4.38Å; T1073-L1077 WeakPolarHBondContact O-CG 3.37Å; T1073-L1077 PolarHBondContact O-N 3.17Å; T1073-L1077 VanDerWaalsContact O-N 3.09Å; L1077-H1080 CarbonylContact O-C 3.55Å; L1077-L1083 HydrophobicContact CD2-CB 4.05Å; L1077-L1083 HydrophobicContact CD2-CD1 4.44Å; L1077-L1084 HydrophobicContact CD1-CD2 4.24Å; L1077-L1084 HydrophobicContact CD2-CD2 3.84Å; L1077-L1084 HydrophobicContact CD2-CG 4.42Å; L1077-V1093 HydrophobicContact CD1-CG1 3.92Å; L1077-V1093 HydrophobicContact CD1-CG2 4.26Å; L1077-L1136 HydrophobicContact CD1-CD1 4.24Å; L1077-I1140 HydrophobicContact CD1-CD1 3.97Å; L1077-I1140 HydrophobicContact CD1-CG1 3.95Å; L1077-V1144 HydrophobicContact CB-CG2 4.21Å; L1077-V1144 WeakPolarHBondContact O-CG1 3.38Å |
| 1078 | M | 92.4 | Very high | 93.9 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 11% | 0.108 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.6 | -30.2 | 176.7 | -74 | -62.1 | -52.2 | 0 | 0 | 114 | A1074 W1076 I1139 Q1143 V1144 F1147 V1495 | A1074-M1078 WeakPolarHBondContact O-CB 3.37Å; A1074-M1078 WeakPolarHBondContact O-CG 3.13Å; A1074-M1078 PolarHBondContact O-N 3.38Å; A1074-M1078 VanDerWaalsContact O-N 3.08Å; W1076-M1078 PolarHBondContact O-N 2.87Å; M1078-I1139 HydrophobicContact CG-CG2 3.77Å; M1078-I1139 HydrophobicContact SD-CG2 3.52Å; M1078-I1139 VanDerWaalsContact SD-CG2 3.52Å; M1078-Q1143 HydrophobicContact CE-CB 4.19Å; M1078-Q1143 HydrophobicContact SD-CB 3.94Å; M1078-V1144 HydrophobicContact CG-CG2 4.37Å; M1078-V1144 HydrophobicContact SD-CB 4.33Å; M1078-V1144 HydrophobicContact SD-CG2 3.57Å; M1078-V1144 VanDerWaalsContact SD-CG2 3.57Å; M1078-F1147 HydrophobicContact CE-CB 3.55Å; M1078-F1147 HydrophobicContact CE-CD1 4.18Å; M1078-F1147 HydrophobicContact CE-CG 4.04Å; M1078-V1495 HydrophobicContact CE-CB 3.96Å; M1078-V1495 HydrophobicContact CE-CG1 4.08Å; M1078-V1495 HydrophobicContact CE-CG2 4.35Å; M1078-V1495 HydrophobicContact CG-CG1 3.8Å; M1078-V1495 HydrophobicContact SD-CB 4.42Å; M1078-V1495 HydrophobicContact SD-CG1 4.06Å |
| 1079 | Q | 91 | Very high | 93.8 | Very high | 76 Ų | 76 | 41 Ų | 41 | 36% | 0.355 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -93.1 | -21.3 | 180 | -58.9 | -69.2 | -103.9 | 0 | 0 | 112.3 | A1024 R1025 A1075 W1076 P1081 | A1024-Q1079 WeakPolarHBondContact O-CB 3.38Å; A1024-Q1079 VanDerWaalsContact O-CG 3.22Å; A1024-Q1079 WeakPolarHBondContact O-CG 3.45Å; R1025-Q1079 HydrophobicContact CG-CG 4.24Å; A1075-Q1079 VanDerWaalsContact O-CG 3.29Å; A1075-Q1079 WeakPolarHBondContact O-CG 3.2Å; A1075-Q1079 PolarHBondContact O-N 3.47Å; W1076-Q1079 PolarHBondContact O-N 3.41Å; Q1079-P1081 VanDerWaalsContact C-CD 3.48Å |
| 1080 | H | 91.8 | Very high | 93.7 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | trans | -124.8 | 66.2 | 176.4 | -53.2 | -79.5 | 0 | 0 | 0 | 112.2 | W1076 L1077 Y1082 L1083 | W1076-H1080 AromaticContact CE3-CD2 3.69Å; W1076-H1080 AromaticContact CE3-NE2 3.88Å; W1076-H1080 AromaticContact CZ3-NE2 3.96Å; W1076-H1080 WeakPolarHBondContact O-CB 3.36Å; W1076-H1080 PolarHBondContact O-CD2 3.09Å; W1076-H1080 PolarHBondContact O-N 2.99Å; L1077-H1080 CarbonylContact O-C 3.55Å; H1080-Y1082 HydrophobicContact CB-CD1 4.47Å; H1080-Y1082 HydrophobicContact CB-CE1 3.84Å; H1080-Y1082 HydrophobicContact CB-CE2 4.17Å; H1080-Y1082 AromaticContact ND1-CE1 3.95Å; H1080-Y1082 AromaticContact ND1-CZ 3.72Å; H1080-Y1082 PolarHBondContact ND1-OH 3.38Å; H1080-Y1082 PolarHBondContact O-N 2.96Å; H1080-L1083 HydrophobicContact CB-CD1 3.69Å; H1080-L1083 HydrophobicContact CB-CG 3.86Å; H1080-L1083 WeakPolarHBondContact O-CB 3.14Å; H1080-L1083 WeakPolarHBondContact O-CG 3.3Å; H1080-L1083 PolarHBondContact O-N 3.36Å | ||
| 1081 | P | 91.4 | Very high | 93.4 | Very high | 49 Ų | 49 | 48.9 Ų | 48.9 | 32% | 0.318 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -56.6 | -26.4 | -174.9 | -28.4 | 36.9 | 0 | 0 | 0 | 115.4 | Q1079 L1083 L1084 V1144 | Q1079-P1081 VanDerWaalsContact C-CD 3.48Å; P1081-L1083 PolarHBondContact O-N 3.47Å; P1081-L1083 VanDerWaalsContact O-N 3.14Å; P1081-L1084 PolarHBondContact O-N 2.93Å; P1081-L1084 VanDerWaalsContact O-N 3.15Å; P1081-V1144 HydrophobicContact CB-CG1 3.68Å; P1081-V1144 HydrophobicContact CG-CG1 4.16Å |
| 1082 | Y | 90.7 | Very high | 93.4 | Very high | 72 Ų | 72 | 46.3 Ų | 46.3 | 28% | 0.282 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -59.4 | -21.7 | 175.4 | 57.7 | -101.8 | 0 | 0 | 0 | 113.2 | T1031 A1033 H1080 L1084 Q1085 | T1031-Y1082 PolarHBondContact OG1-OH 2.95Å; A1033-Y1082 HydrophobicContact CB-CD2 4.11Å; A1033-Y1082 HydrophobicContact CB-CE2 3.54Å; H1080-Y1082 HydrophobicContact CB-CD1 4.47Å; H1080-Y1082 HydrophobicContact CB-CE1 3.84Å; H1080-Y1082 HydrophobicContact CB-CE2 4.17Å; H1080-Y1082 AromaticContact ND1-CE1 3.95Å; H1080-Y1082 AromaticContact ND1-CZ 3.72Å; H1080-Y1082 PolarHBondContact ND1-OH 3.38Å; H1080-Y1082 PolarHBondContact O-N 2.96Å; Y1082-L1084 PolarHBondContact O-N 3.14Å; Y1082-Q1085 WeakPolarHBondContact O-CB 3.18Å; Y1082-Q1085 PolarHBondContact O-N 3.14Å |
| 1083 | L | 92.2 | Very high | 93.4 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -63.1 | -24.8 | 176.2 | -66.4 | 179.6 | 0 | 0 | 0 | 113.3 | C1036 K1037 V1040 L1077 H1080 P1081 Q1085 C1089 | C1036-L1083 HydrophobicContact CB-CD1 4.12Å; C1036-L1083 HydrophobicContact CB-CD2 3.93Å; C1036-L1083 HydrophobicContact CB-CG 4.49Å; K1037-L1083 HydrophobicContact CB-CD2 4.13Å; V1040-L1083 HydrophobicContact CG2-CD1 3.81Å; L1077-L1083 HydrophobicContact CD2-CB 4.05Å; L1077-L1083 HydrophobicContact CD2-CD1 4.44Å; H1080-L1083 HydrophobicContact CB-CD1 3.69Å; H1080-L1083 HydrophobicContact CB-CG 3.86Å; H1080-L1083 WeakPolarHBondContact O-CB 3.14Å; H1080-L1083 WeakPolarHBondContact O-CG 3.3Å; H1080-L1083 PolarHBondContact O-N 3.36Å; P1081-L1083 PolarHBondContact O-N 3.47Å; P1081-L1083 VanDerWaalsContact O-N 3.14Å; L1083-Q1085 VanDerWaalsContact C-N 3.32Å; L1083-C1089 WeakPolarHBondContact O-CB 3.36Å |
| 1084 | L | 91.5 | Very high | 93.2 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 17% | 0.168 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -80.3 | -12.7 | 174.3 | -63 | -173.8 | 0 | 0 | 0 | 113.4 | L1077 P1081 Y1082 D1086 L1090 I1140 V1144 | L1077-L1084 HydrophobicContact CD1-CD2 4.24Å; L1077-L1084 HydrophobicContact CD2-CD2 3.84Å; L1077-L1084 HydrophobicContact CD2-CG 4.42Å; P1081-L1084 PolarHBondContact O-N 2.93Å; P1081-L1084 VanDerWaalsContact O-N 3.15Å; Y1082-L1084 PolarHBondContact O-N 3.14Å; L1084-D1086 VanDerWaalsContact C-N 3.31Å; L1084-L1090 HydrophobicContact CD2-CD1 4.01Å; L1084-I1140 HydrophobicContact CD1-CG2 4Å; L1084-I1140 HydrophobicContact CD2-CG2 4.42Å; L1084-V1144 HydrophobicContact CD1-CB 3.78Å; L1084-V1144 HydrophobicContact CD1-CG1 3.52Å; L1084-V1144 HydrophobicContact CD1-CG2 4.1Å; L1084-V1144 HydrophobicContact CG-CG1 4.2Å |
| 1085 | Q | 90.4 | Very high | 93.1 | Very high | 166 Ų | 166 | 51.8 Ų | 51.8 | 78% | 0.776 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -20.5 | 173 | -55.4 | -179.7 | 5.6 | 0 | 0 | 111.4 | Y1082 L1083 | Y1082-Q1085 WeakPolarHBondContact O-CB 3.18Å; Y1082-Q1085 PolarHBondContact O-N 3.14Å; L1083-Q1085 VanDerWaalsContact C-N 3.32Å |
| 1086 | D | 92.3 | Very high | 93.1 | Very high | 49 Ų | 49 | 51.6 Ų | 51.6 | 26% | 0.262 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -79.9 | 118.8 | 173 | -177.1 | -82.1 | 0 | 0 | 0 | 110.9 | K1037 L1084 D1088 C1089 L1090 | K1037-D1086 WeakPolarHBondContact CE-OD1 3.32Å; K1037-D1086 WeakPolarHBondContact CE-OD2 3.36Å; K1037-D1086 IonicContact NZ-OD1 2.67Å; K1037-D1086 PolarHBondContact NZ-OD1 3.2Å; K1037-D1086 IonicContact NZ-OD2 2.69Å; K1037-D1086 PolarHBondContact NZ-OD2 2.89Å; L1084-D1086 VanDerWaalsContact C-N 3.31Å; D1086-D1088 PolarHBondContact O-N 2.93Å; D1086-D1088 PolarHBondContact OD1-N 3.2Å; D1086-D1088 VanDerWaalsContact OD1-N 3.15Å; D1086-C1089 HydrophobicContact CB-CB 3.92Å; D1086-C1089 PolarHBondContact O-N 2.9Å; D1086-C1089 WeakPolarHBondContact OD1-CB 3.44Å; D1086-C1089 PolarHBondContact OD1-N 3.16Å; D1086-L1090 WeakPolarHBondContact O-CB 3.5Å; D1086-L1090 PolarHBondContact O-N 2.92Å |
| 1087 | K | 92.8 | Very high | 93.1 | Very high | 175 Ų | 175 | 51.8 Ų | 51.8 | 76% | 0.761 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -64.6 | -38.3 | -173.7 | -67 | -174.3 | 177.7 | -177.1 | 0 | 113.4 | Q1091 | K1087-Q1091 WeakPolarHBondContact O-CB 3.43Å; K1087-Q1091 PolarHBondContact O-N 3.42Å |
| 1088 | D | 92.4 | Very high | 93.1 | Very high | 100 Ų | 100 | 53.4 Ų | 53.4 | 54% | 0.535 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.9 | -39 | -179 | -42.5 | -38.7 | 0 | 0 | 0 | 110.6 | K1037 D1086 T1092 | K1037-D1088 IonicContact NZ-OD2 3.72Å; K1037-D1088 PolarHBondContact NZ-OD2 3.04Å; D1086-D1088 PolarHBondContact O-N 2.93Å; D1086-D1088 PolarHBondContact OD1-N 3.2Å; D1086-D1088 VanDerWaalsContact OD1-N 3.15Å; D1088-T1092 VanDerWaalsContact O-CB 3.25Å; D1088-T1092 WeakPolarHBondContact O-CB 3.36Å; D1088-T1092 PolarHBondContact O-N 3.32Å; D1088-T1092 PolarHBondContact O-OG1 3.08Å |
| 1089 | C | 94.5 | Very high | 93.1 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.027 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.3 | -50.7 | 176.7 | -166.7 | 0 | 0 | 0 | 0 | 110.6 | K1037 L1083 D1086 Q1091 T1092 V1093 | K1037-C1089 HydrophobicContact CG-CB 4.28Å; L1083-C1089 WeakPolarHBondContact O-CB 3.36Å; D1086-C1089 HydrophobicContact CB-CB 3.92Å; D1086-C1089 PolarHBondContact O-N 2.9Å; D1086-C1089 WeakPolarHBondContact OD1-CB 3.44Å; D1086-C1089 PolarHBondContact OD1-N 3.16Å; C1089-Q1091 PolarHBondContact O-N 3.22Å; C1089-T1092 PolarHBondContact O-N 3.22Å; C1089-V1093 WeakPolarHBondContact O-CG2 3.3Å; C1089-V1093 PolarHBondContact O-N 2.79Å |
| 1090 | L | 94.6 | Very high | 93.2 | Very high | 57 Ų | 57 | 50.1 Ų | 50.1 | 30% | 0.298 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.5 | -47.6 | 176.1 | 179.3 | 63.7 | 0 | 0 | 0 | 111.6 | L1084 D1086 V1093 L1094 | L1084-L1090 HydrophobicContact CD2-CD1 4.01Å; D1086-L1090 WeakPolarHBondContact O-CB 3.5Å; D1086-L1090 PolarHBondContact O-N 2.92Å; L1090-V1093 PolarHBondContact O-N 2.7Å; L1090-L1094 HydrophobicContact CD1-CD1 3.88Å; L1090-L1094 HydrophobicContact CD1-CG 4.11Å; L1090-L1094 HydrophobicContact CG-CD1 3.94Å; L1090-L1094 HydrophobicContact CG-CG 4.5Å; L1090-L1094 WeakPolarHBondContact O-CB 3.47Å; L1090-L1094 VanDerWaalsContact O-CG 3.29Å; L1090-L1094 WeakPolarHBondContact O-CG 3.48Å; L1090-L1094 PolarHBondContact O-N 2.97Å |
| 1091 | Q | 93.1 | Very high | 93.3 | Very high | 111 Ų | 111 | 51.5 Ų | 51.5 | 52% | 0.519 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 175.7 | -179.7 | 179.2 | -24.8 | 0 | 0 | 111.6 | K1087 C1089 V1093 L1094 E1095 | K1087-Q1091 WeakPolarHBondContact O-CB 3.43Å; K1087-Q1091 PolarHBondContact O-N 3.42Å; C1089-Q1091 PolarHBondContact O-N 3.22Å; Q1091-V1093 VanDerWaalsContact C-N 3.31Å; Q1091-V1093 PolarHBondContact O-N 3.37Å; Q1091-L1094 PolarHBondContact O-N 3.42Å; Q1091-E1095 HydrophobicContact CG-CG 4.33Å; Q1091-E1095 WeakPolarHBondContact CG-OE1 3.19Å; Q1091-E1095 PolarHBondContact NE2-OE1 3.41Å; Q1091-E1095 WeakPolarHBondContact O-CB 3.43Å; Q1091-E1095 WeakPolarHBondContact O-CG 3.23Å; Q1091-E1095 PolarHBondContact O-N 2.7Å |
| 1092 | T | 94.4 | Very high | 93.2 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 17% | 0.172 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.5 | -43.5 | -179.9 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | K1041 C1044 D1088 C1089 V1096 | K1041-T1092 HydrophobicContact CG-CG2 4.5Å; C1044-T1092 HydrophobicContact CB-CG2 3.75Å; D1088-T1092 VanDerWaalsContact O-CB 3.25Å; D1088-T1092 WeakPolarHBondContact O-CB 3.36Å; D1088-T1092 PolarHBondContact O-N 3.32Å; D1088-T1092 PolarHBondContact O-OG1 3.08Å; C1089-T1092 PolarHBondContact O-N 3.22Å; T1092-V1096 WeakPolarHBondContact O-CG2 3.44Å; T1092-V1096 PolarHBondContact O-N 3.03Å |
| 1093 | V | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.4 | -47 | 177.9 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | V1040 T1073 L1077 C1089 L1090 Q1091 E1095 V1096 V1097 L1136 I1140 | V1040-V1093 HydrophobicContact CG1-CG2 3.62Å; T1073-V1093 HydrophobicContact CG2-CG2 4.46Å; L1077-V1093 HydrophobicContact CD1-CG1 3.92Å; L1077-V1093 HydrophobicContact CD1-CG2 4.26Å; C1089-V1093 WeakPolarHBondContact O-CG2 3.3Å; C1089-V1093 PolarHBondContact O-N 2.79Å; L1090-V1093 PolarHBondContact O-N 2.7Å; Q1091-V1093 VanDerWaalsContact C-N 3.31Å; Q1091-V1093 PolarHBondContact O-N 3.37Å; V1093-E1095 PolarHBondContact O-N 2.9Å; V1093-V1096 PolarHBondContact O-N 2.99Å; V1093-V1096 VanDerWaalsContact O-N 3.09Å; V1093-V1097 HydrophobicContact CG1-CG2 4.43Å; V1093-V1097 WeakPolarHBondContact O-CG2 3.2Å; V1093-V1097 PolarHBondContact O-N 2.61Å; V1093-L1136 HydrophobicContact CG1-CD2 4.34Å; V1093-I1140 HydrophobicContact CG1-CD1 3.47Å; V1093-I1140 VanDerWaalsContact CG1-CD1 3.47Å |
| 1094 | L | 95.1 | Very high | 92.9 | Very high | 71 Ų | 71 | 50.5 Ų | 50.5 | 37% | 0.372 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | -179.9 | -71.8 | 175.8 | 0 | 0 | 0 | 112.4 | L1090 Q1091 V1096 V1097 E1098 L1137 | L1090-L1094 HydrophobicContact CD1-CD1 3.88Å; L1090-L1094 HydrophobicContact CD1-CG 4.11Å; L1090-L1094 HydrophobicContact CG-CD1 3.94Å; L1090-L1094 HydrophobicContact CG-CG 4.5Å; L1090-L1094 WeakPolarHBondContact O-CB 3.47Å; L1090-L1094 VanDerWaalsContact O-CG 3.29Å; L1090-L1094 WeakPolarHBondContact O-CG 3.48Å; L1090-L1094 PolarHBondContact O-N 2.97Å; Q1091-L1094 PolarHBondContact O-N 3.42Å; L1094-V1096 VanDerWaalsContact C-N 3.26Å; L1094-V1096 PolarHBondContact O-N 3.1Å; L1094-V1097 PolarHBondContact O-N 3.12Å; L1094-E1098 WeakPolarHBondContact O-CB 3.33Å; L1094-E1098 PolarHBondContact O-N 3.19Å; L1094-L1137 HydrophobicContact CD2-CD1 4.13Å |
| 1095 | E | 92.8 | Very high | 92.7 | Very high | 57 Ų | 57 | 51.8 Ų | 51.8 | 27% | 0.266 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.8 | -30.4 | 173 | -77.6 | -177.1 | -153.4 | 0 | 0 | 113.2 | Q1091 V1093 L1099 K1105 | Q1091-E1095 HydrophobicContact CG-CG 4.33Å; Q1091-E1095 WeakPolarHBondContact CG-OE1 3.19Å; Q1091-E1095 PolarHBondContact NE2-OE1 3.41Å; Q1091-E1095 WeakPolarHBondContact O-CB 3.43Å; Q1091-E1095 WeakPolarHBondContact O-CG 3.23Å; Q1091-E1095 PolarHBondContact O-N 2.7Å; V1093-E1095 PolarHBondContact O-N 2.9Å; E1095-L1099 WeakPolarHBondContact O-CB 3.26Å; E1095-L1099 PolarHBondContact O-N 3.18Å; E1095-K1105 HydrophobicContact CB-CD 4.1Å; E1095-K1105 HydrophobicContact CG-CD 4.47Å; E1095-K1105 IonicContact OE2-NZ 3.49Å; E1095-K1105 PolarHBondContact OE2-NZ 3.5Å |
| 1096 | V | 95.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -82.1 | -36.3 | 178 | 171.5 | 0 | 0 | 0 | 0 | 111.9 | C1044 I1047 C1048 F1070 T1092 V1093 L1094 E1098 L1099 G1100 | C1044-V1096 HydrophobicContact CB-CB 4.47Å; C1044-V1096 HydrophobicContact CB-CG2 3.76Å; I1047-V1096 HydrophobicContact CB-CG1 3.83Å; I1047-V1096 HydrophobicContact CD1-CG1 3.89Å; I1047-V1096 HydrophobicContact CG1-CG1 4.47Å; I1047-V1096 HydrophobicContact CG2-CG1 3.52Å; C1048-V1096 VanDerWaalsContact SG-CG2 3.58Å; F1070-V1096 HydrophobicContact CE1-CG1 4.05Å; F1070-V1096 HydrophobicContact CZ-CG1 4.02Å; T1092-V1096 WeakPolarHBondContact O-CG2 3.44Å; T1092-V1096 PolarHBondContact O-N 3.03Å; V1093-V1096 PolarHBondContact O-N 2.99Å; V1093-V1096 VanDerWaalsContact O-N 3.09Å; L1094-V1096 VanDerWaalsContact C-N 3.26Å; L1094-V1096 PolarHBondContact O-N 3.1Å; V1096-E1098 VanDerWaalsContact C-N 3.34Å; V1096-L1099 PolarHBondContact O-N 3.04Å; V1096-G1100 PolarHBondContact O-N 3.14Å |
| 1097 | V | 96.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.024 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 166.7 | 166.5 | 0 | 0 | 0 | 0 | 110.2 | V1093 L1094 L1099 G1100 I1101 L1136 L1137 | V1093-V1097 HydrophobicContact CG1-CG2 4.43Å; V1093-V1097 WeakPolarHBondContact O-CG2 3.2Å; V1093-V1097 PolarHBondContact O-N 2.61Å; L1094-V1097 PolarHBondContact O-N 3.12Å; V1097-L1099 PolarHBondContact O-N 2.85Å; V1097-G1100 PolarHBondContact O-N 3.05Å; V1097-G1100 VanDerWaalsContact O-N 3.13Å; V1097-I1101 HydrophobicContact CG1-CD1 3.78Å; V1097-I1101 HydrophobicContact CG1-CG1 4.49Å; V1097-I1101 WeakPolarHBondContact O-CG1 3.46Å; V1097-I1101 PolarHBondContact O-N 3.2Å; V1097-L1136 HydrophobicContact CG2-CB 4.3Å; V1097-L1136 HydrophobicContact CG2-CD2 3.75Å; V1097-L1136 HydrophobicContact CG2-CG 3.98Å; V1097-L1137 HydrophobicContact CG1-CB 3.82Å; V1097-L1137 HydrophobicContact CG1-CD1 4.25Å; V1097-L1137 HydrophobicContact CG1-CD2 4.31Å; V1097-L1137 HydrophobicContact CG1-CG 4.35Å |
| 1098 | E | 92.8 | Very high | 90.5 | Very high | 35 Ų | 35 | 44.1 Ų | 44.1 | 16% | 0.164 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.4 | -44.6 | 178.1 | -161.8 | -141.3 | 139.6 | 0 | 0 | 112 | L1094 V1096 G1100 I1101 S1102 K1105 S1106 K1120 | L1094-E1098 WeakPolarHBondContact O-CB 3.33Å; L1094-E1098 PolarHBondContact O-N 3.19Å; V1096-E1098 VanDerWaalsContact C-N 3.34Å; E1098-G1100 VanDerWaalsContact C-N 3.32Å; E1098-G1100 PolarHBondContact O-N 3Å; E1098-I1101 PolarHBondContact O-N 3.04Å; E1098-S1102 VanDerWaalsContact O-CB 3.29Å; E1098-S1102 WeakPolarHBondContact O-CB 3.44Å; E1098-S1102 PolarHBondContact O-N 2.85Å; E1098-S1102 PolarHBondContact O-OG 3.05Å; E1098-S1102 VanDerWaalsContact O-OG 3.14Å; E1098-K1105 VanDerWaalsContact OE1-C 3.26Å; E1098-K1105 WeakPolarHBondContact OE1-CA 3.46Å; E1098-S1106 VanDerWaalsContact CD-N 3.25Å; E1098-S1106 PolarHBondContact OE1-N 2.82Å; E1098-S1106 PolarHBondContact OE1-OG 3.47Å; E1098-S1106 WeakPolarHBondContact OE2-CB 3.29Å; E1098-S1106 PolarHBondContact OE2-N 3.27Å; E1098-S1106 PolarHBondContact OE2-OG 3.36Å; E1098-K1120 IonicContact OE1-NZ 2.68Å; E1098-K1120 PolarHBondContact OE1-NZ 3.35Å |
| 1099 | L | 93.6 | Very high | 89.4 | Confident | 27 Ų | 27 | 46.1 Ų | 46.1 | 14% | 0.141 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.2 | -40.1 | 173.8 | 178.6 | 64.5 | 0 | 0 | 0 | 112.1 | C1048 C1051 E1095 V1096 V1097 G1103 K1105 | C1048-L1099 HydrophobicContact CB-CD2 4.43Å; C1051-L1099 HydrophobicContact CB-CD2 4.2Å; E1095-L1099 WeakPolarHBondContact O-CB 3.26Å; E1095-L1099 PolarHBondContact O-N 3.18Å; V1096-L1099 PolarHBondContact O-N 3.04Å; V1097-L1099 PolarHBondContact O-N 2.85Å; L1099-G1103 WeakPolarHBondContact O-CA 3.48Å; L1099-G1103 PolarHBondContact O-N 2.93Å; L1099-K1105 HydrophobicContact CB-CG 4.23Å |
| 1100 | G | 93.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1096 V1097 E1098 P1124 R1130 | V1096-G1100 PolarHBondContact O-N 3.14Å; V1097-G1100 PolarHBondContact O-N 3.05Å; V1097-G1100 VanDerWaalsContact O-N 3.13Å; E1098-G1100 VanDerWaalsContact C-N 3.32Å; E1098-G1100 PolarHBondContact O-N 3Å; G1100-P1124 WeakPolarHBondContact O-CB 3.48Å; G1100-R1130 WeakPolarHBondContact O-CA 3.49Å |
| 1101 | I | 92.9 | Very high | 86.7 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 19% | 0.19 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -80 | -45.7 | -179.5 | -65.3 | 174.7 | 0 | 0 | 0 | 111.8 | V1097 E1098 R1130 A1133 E1134 L1137 | V1097-I1101 HydrophobicContact CG1-CD1 3.78Å; V1097-I1101 HydrophobicContact CG1-CG1 4.49Å; V1097-I1101 WeakPolarHBondContact O-CG1 3.46Å; V1097-I1101 PolarHBondContact O-N 3.2Å; E1098-I1101 PolarHBondContact O-N 3.04Å; I1101-R1130 HydrophobicContact CG2-CG 4.49Å; I1101-A1133 HydrophobicContact CG1-CB 3.82Å; I1101-E1134 HydrophobicContact CD1-CG 4.18Å; I1101-E1134 HydrophobicContact CG1-CG 4.17Å; I1101-L1137 HydrophobicContact CD1-CD2 4.11Å |
| 1102 | S | 90.1 | Very high | 85.6 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -99.6 | -19.1 | -168.9 | -44.7 | 0 | 0 | 0 | 0 | 113.8 | E1098 T1104 K1123 | E1098-S1102 VanDerWaalsContact O-CB 3.29Å; E1098-S1102 WeakPolarHBondContact O-CB 3.44Å; E1098-S1102 PolarHBondContact O-N 2.85Å; E1098-S1102 PolarHBondContact O-OG 3.05Å; E1098-S1102 VanDerWaalsContact O-OG 3.14Å; S1102-T1104 PolarHBondContact O-N 2.63Å; S1102-K1123 PolarHBondContact O-N 3.27Å |
| 1103 | G | 89 | Confident | 84.8 | Confident | 27 Ų | 27 | 56 Ų | 56 | 28% | 0.278 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 77.6 | -4 | -170 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1099 K1123 | L1099-G1103 WeakPolarHBondContact O-CA 3.48Å; L1099-G1103 PolarHBondContact O-N 2.93Å; G1103-K1123 WeakPolarHBondContact CA-O 3.38Å |
| 1104 | T | 87.4 | Confident | 83.9 | Confident | 69 Ų | 69 | 58.5 Ų | 58.5 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -142.4 | 163 | 178.2 | 51.8 | 0 | 0 | 0 | 0 | 110 | S1102 | S1102-T1104 PolarHBondContact O-N 2.63Š|
| 1105 | K | 86.1 | Confident | 83.1 | Confident | 59 Ų | 59 | 61 Ų | 61 | 26% | 0.257 | 35% | 0.349 | S | S | . | . | trans | -98.4 | 155 | 170.8 | -69.4 | -170 | 173.4 | -166.3 | 0 | 110.8 | E1095 E1098 L1099 Q1107 | E1095-K1105 HydrophobicContact CB-CD 4.1Å; E1095-K1105 HydrophobicContact CG-CD 4.47Å; E1095-K1105 IonicContact OE2-NZ 3.49Å; E1095-K1105 PolarHBondContact OE2-NZ 3.5Å; E1098-K1105 VanDerWaalsContact OE1-C 3.26Å; E1098-K1105 WeakPolarHBondContact OE1-CA 3.46Å; L1099-K1105 HydrophobicContact CB-CG 4.23Å; K1105-Q1107 VanDerWaalsContact C-N 3.31Å; K1105-Q1107 PolarHBondContact O-N 3.47Å | ||
| 1106 | S | 82.2 | Confident | 82.3 | Confident | 39 Ų | 39 | 65 Ų | 65 | 27% | 0.273 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -58.9 | -40.7 | 177.6 | -60.7 | 0 | 0 | 0 | 0 | 112.8 | E1098 P1114 K1115 K1120 | E1098-S1106 VanDerWaalsContact CD-N 3.25Å; E1098-S1106 PolarHBondContact OE1-N 2.82Å; E1098-S1106 PolarHBondContact OE1-OG 3.47Å; E1098-S1106 WeakPolarHBondContact OE2-CB 3.29Å; E1098-S1106 PolarHBondContact OE2-N 3.27Å; E1098-S1106 PolarHBondContact OE2-OG 3.36Å; S1106-P1114 WeakPolarHBondContact O-CA 3.44Å; S1106-K1115 PolarHBondContact O-N 3.24Å; S1106-K1120 PolarHBondContact OG-NZ 3.29Å |
| 1107 | Q | 80.1 | Confident | 81.2 | Confident | 92 Ų | 92 | 71.6 Ų | 71.6 | 43% | 0.43 | 39% | 0.394 | S | S | . | . | trans | -114.7 | 111.2 | 170.5 | -66.5 | 179.8 | -0.3 | 0 | 0 | 108.4 | K1105 K1109 P1114 | K1105-Q1107 VanDerWaalsContact C-N 3.31Å; K1105-Q1107 PolarHBondContact O-N 3.47Å; Q1107-K1109 VanDerWaalsContact C-N 3.27Å; Q1107-P1114 HydrophobicContact CG-CB 3.86Å | ||
| 1108 | S | 67.3 | Low | 80.2 | Confident | 99 Ų | 99 | 78.4 Ų | 78.4 | 69% | 0.692 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -70 | -27.1 | 173.6 | 31.7 | 0 | 0 | 0 | 0 | 112.5 | D1112 | S1108-D1112 WeakPolarHBondContact CB-OD2 3.45Å; S1108-D1112 PolarHBondContact OG-OD2 3.43Å |
| 1109 | K | 69 | Low | 79.4 | Confident | 142 Ų | 142 | 82.5 Ų | 82.5 | 62% | 0.617 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -147.6 | 152.3 | 171.9 | -57.2 | 173.4 | -174.6 | 168.1 | 0 | 107.8 | Q1107 T1111 D1112 | Q1107-K1109 VanDerWaalsContact C-N 3.27Å; K1109-T1111 PolarHBondContact O-N 3.01Å; K1109-D1112 WeakPolarHBondContact CB-OD2 3.5Å; K1109-D1112 PolarHBondContact N-OD2 3.39Å; K1109-D1112 WeakPolarHBondContact O-CB 3.34Å; K1109-D1112 PolarHBondContact O-N 2.93Å |
| 1110 | G | 67.5 | Low | 78.7 | Confident | 76 Ų | 76 | 82.3 Ų | 82.3 | 78% | 0.784 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 5.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1111 | T | 65.3 | Low | 77.9 | Confident | 125 Ų | 125 | 88.9 Ų | 88.9 | 77% | 0.767 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -10.9 | 171.9 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | K1109 | K1109-T1111 PolarHBondContact O-N 3.01Š|
| 1112 | D | 70.6 | Confident | 77.4 | Confident | 55 Ų | 55 | 91.8 Ų | 91.8 | 29% | 0.294 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -85.5 | 139.6 | -174.8 | -57 | -20.7 | 0 | 0 | 0 | 109.4 | S1108 K1109 | S1108-D1112 WeakPolarHBondContact CB-OD2 3.45Å; S1108-D1112 PolarHBondContact OG-OD2 3.43Å; K1109-D1112 WeakPolarHBondContact CB-OD2 3.5Å; K1109-D1112 PolarHBondContact N-OD2 3.39Å; K1109-D1112 WeakPolarHBondContact O-CB 3.34Å; K1109-D1112 PolarHBondContact O-N 2.93Å |
| 1113 | I | 76.7 | Confident | 77.2 | Confident | 151 Ų | 151 | 97.6 Ų | 97.6 | 77% | 0.774 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 127.6 | 173.7 | -59.6 | 174.2 | 0 | 0 | 0 | 108 | K1115 | I1113-K1115 PolarHBondContact O-N 2.87Š|
| 1114 | P | 78.2 | Confident | 77.2 | Confident | 52 Ų | 52 | 97.9 Ų | 97.9 | 34% | 0.338 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 120.8 | -179.3 | 23.5 | -32.6 | 0 | 0 | 0 | 110.3 | S1106 Q1107 | S1106-P1114 WeakPolarHBondContact O-CA 3.44Å; Q1107-P1114 HydrophobicContact CG-CB 3.86Å |
| 1115 | K | 78.9 | Confident | 77.1 | Confident | 125 Ų | 125 | 96 Ų | 96 | 54% | 0.543 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 135.4 | 172.5 | -67.2 | -169 | 174.6 | -165.5 | 0 | 110.3 | S1106 I1113 E1119 K1120 | S1106-K1115 PolarHBondContact O-N 3.24Å; I1113-K1115 PolarHBondContact O-N 2.87Å; K1115-E1119 VanDerWaalsContact CA-OE2 3.28Å; K1115-E1119 WeakPolarHBondContact CA-OE2 3.36Å; K1115-K1120 HydrophobicContact CB-CG 4.35Å; K1115-K1120 WeakPolarHBondContact O-CE 3.32Å; K1115-K1120 PolarHBondContact O-NZ 2.93Å |
| 1116 | F | 76.3 | Confident | 77.4 | Confident | 139 Ų | 139 | 94.2 Ų | 94.2 | 61% | 0.61 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -79.3 | 169.3 | 175.9 | -64.7 | -78.1 | 0 | 0 | 0 | 111.5 | D1118 E1119 K1120 | F1116-D1118 VanDerWaalsContact C-N 3.29Å; F1116-D1118 PolarHBondContact O-N 2.84Å; F1116-E1119 HydrophobicContact CB-CG 4.33Å; F1116-E1119 PolarHBondContact N-OE2 3.29Å; F1116-E1119 PolarHBondContact O-N 3.4Å; F1116-K1120 WeakPolarHBondContact O-CE 3.27Å; F1116-K1120 WeakPolarHBondContact O-CG 3.46Å |
| 1117 | K | 72 | Confident | 77.8 | Confident | 141 Ų | 141 | 97.7 Ų | 97.7 | 61% | 0.613 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -58.1 | -43.1 | -175.3 | -177.5 | -173.7 | 175.8 | -170.8 | 0 | 111.7 | E1119 K1120 | K1117-E1119 VanDerWaalsContact C-N 3.28Å; K1117-E1119 PolarHBondContact O-N 3.06Å; K1117-K1120 PolarHBondContact O-N 3.03Å |
| 1118 | D | 74 | Confident | 78.3 | Confident | 148 Ų | 148 | 95.9 Ų | 95.9 | 79% | 0.791 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -81.3 | -12.8 | -170.3 | -40.2 | -66.9 | 0 | 0 | 0 | 112.3 | F1116 | F1116-D1118 VanDerWaalsContact C-N 3.29Å; F1116-D1118 PolarHBondContact O-N 2.84Å |
| 1119 | E | 77.1 | Confident | 79.6 | Confident | 121 Ų | 121 | 91.1 Ų | 91.1 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -87.6 | -3.2 | 172.7 | -55.1 | 179.5 | 136.6 | 0 | 0 | 113.1 | K1115 F1116 K1117 | K1115-E1119 VanDerWaalsContact CA-OE2 3.28Å; K1115-E1119 WeakPolarHBondContact CA-OE2 3.36Å; F1116-E1119 HydrophobicContact CB-CG 4.33Å; F1116-E1119 PolarHBondContact N-OE2 3.29Å; F1116-E1119 PolarHBondContact O-N 3.4Å; K1117-E1119 VanDerWaalsContact C-N 3.28Å; K1117-E1119 PolarHBondContact O-N 3.06Å |
| 1120 | K | 77.4 | Confident | 80.9 | Confident | 23 Ų | 23 | 86.9 Ų | 86.9 | 10% | 0.1 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -104.3 | 129 | -175.3 | -69.8 | 166.7 | -165.8 | 160.5 | 0 | 111.7 | E1098 S1106 K1115 F1116 K1117 L1122 | E1098-K1120 IonicContact OE1-NZ 2.68Å; E1098-K1120 PolarHBondContact OE1-NZ 3.35Å; S1106-K1120 PolarHBondContact OG-NZ 3.29Å; K1115-K1120 HydrophobicContact CB-CG 4.35Å; K1115-K1120 WeakPolarHBondContact O-CE 3.32Å; K1115-K1120 PolarHBondContact O-NZ 2.93Å; F1116-K1120 WeakPolarHBondContact O-CE 3.27Å; F1116-K1120 WeakPolarHBondContact O-CG 3.46Å; K1117-K1120 PolarHBondContact O-N 3.03Å; K1120-L1122 PolarHBondContact O-N 2.84Å; K1120-L1122 VanDerWaalsContact O-N 3.14Å |
| 1121 | E | 78.2 | Confident | 82.1 | Confident | 139 Ų | 139 | 83.9 Ų | 83.9 | 65% | 0.65 | 42% | 0.417 | S | S | * | . | trans | -73.9 | 102 | 166.4 | -166.2 | -173.8 | -160.8 | 0 | 0 | 109.2 | K1123 | E1121-K1123 HydrophobicContact CG-CD 4.23Å; E1121-K1123 HydrophobicContact CG-CG 4.4Å; E1121-K1123 PolarHBondContact O-N 2.71Å; E1121-K1123 WeakPolarHBondContact OE1-CE 3.45Å; E1121-K1123 IonicContact OE1-NZ 3.88Å; E1121-K1123 PolarHBondContact OE1-NZ 3.05Å; E1121-K1123 WeakPolarHBondContact OE2-CE 3.38Å; E1121-K1123 IonicContact OE2-NZ 3.05Å; E1121-K1123 PolarHBondContact OE2-NZ 3.49Å | ||
| 1122 | L | 81.4 | Confident | 83.5 | Confident | 98 Ų | 98 | 78.5 Ų | 78.5 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | trans | -66.2 | 101.3 | -174.2 | -59 | 177.5 | 0 | 0 | 0 | 111.5 | K1120 P1124 | K1120-L1122 PolarHBondContact O-N 2.84Å; K1120-L1122 VanDerWaalsContact O-N 3.14Å; L1122-P1124 VanDerWaalsContact C-CD 3.49Å | ||
| 1123 | K | 86.1 | Confident | 84.8 | Confident | 130 Ų | 130 | 75.9 Ų | 75.9 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | trans | -128.7 | 64.4 | -178.4 | -76.3 | 179.1 | 172 | 163.6 | 0 | 111.7 | S1102 G1103 E1121 | S1102-K1123 PolarHBondContact O-N 3.27Å; G1103-K1123 WeakPolarHBondContact CA-O 3.38Å; E1121-K1123 HydrophobicContact CG-CD 4.23Å; E1121-K1123 HydrophobicContact CG-CG 4.4Å; E1121-K1123 PolarHBondContact O-N 2.71Å; E1121-K1123 WeakPolarHBondContact OE1-CE 3.45Å; E1121-K1123 IonicContact OE1-NZ 3.88Å; E1121-K1123 PolarHBondContact OE1-NZ 3.05Å; E1121-K1123 WeakPolarHBondContact OE2-CE 3.38Å; E1121-K1123 IonicContact OE2-NZ 3.05Å; E1121-K1123 PolarHBondContact OE2-NZ 3.49Å | ||
| 1124 | P | 88.5 | Confident | 85.6 | Confident | 32 Ų | 32 | 70.3 Ų | 70.3 | 21% | 0.208 | 34% | 0.342 | C | S | . | . | trans | -58.4 | 149 | 178.2 | 26.2 | -35.9 | 0 | 0 | 0 | 112.3 | G1100 L1122 S1126 R1130 | G1100-P1124 WeakPolarHBondContact O-CB 3.48Å; L1122-P1124 VanDerWaalsContact C-CD 3.49Å; P1124-S1126 PolarHBondContact O-N 3.23Å; P1124-S1126 VanDerWaalsContact O-N 3.11Å; P1124-R1130 HydrophobicContact CB-CB 3.89Å; P1124-R1130 HydrophobicContact CB-CG 4.14Å; P1124-R1130 HydrophobicContact CG-CB 3.97Å; P1124-R1130 HydrophobicContact CG-CG 4.04Å | ||
| 1125 | A | 87.1 | Confident | 86.3 | Confident | 29 Ų | 29 | 69.9 Ų | 69.9 | 24% | 0.24 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -57 | -30.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | H1063 | H1063-A1125 PolarHBondContact CE1-O 3.07Å; H1063-A1125 PolarHBondContact NE2-O 3.42Å |
| 1126 | S | 91.5 | Very high | 87.1 | Confident | 22 Ų | 22 | 64 Ų | 64 | 15% | 0.154 | 31% | 0.311 | C | S | . | . | trans | -161.9 | 168.1 | 158 | 75 | 0 | 0 | 0 | 0 | 111.3 | H1063 P1124 R1128 V1129 R1130 | H1063-S1126 VanDerWaalsContact ND1-CB 3.34Å; H1063-S1126 WeakPolarHBondContact ND1-CB 3.28Å; H1063-S1126 PolarHBondContact ND1-OG 2.79Å; P1124-S1126 PolarHBondContact O-N 3.23Å; P1124-S1126 VanDerWaalsContact O-N 3.11Å; S1126-R1128 VanDerWaalsContact C-N 3.3Å; S1126-R1128 PolarHBondContact O-N 2.96Å; S1126-V1129 PolarHBondContact O-N 2.87Å; S1126-V1129 PolarHBondContact OG-N 2.7Å; S1126-R1130 PolarHBondContact O-N 3.43Å | ||
| 1127 | M | 90.3 | Very high | 88 | Confident | 113 Ų | 113 | 60 Ų | 60 | 56% | 0.557 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -59.4 | -40.7 | 176.8 | -155.7 | 69.1 | 67 | 0 | 0 | 112.2 | V1129 R1130 D1131 | M1127-V1129 VanDerWaalsContact C-N 3.29Å; M1127-V1129 PolarHBondContact O-N 3.06Å; M1127-R1130 WeakPolarHBondContact O-CB 3.4Å; M1127-R1130 PolarHBondContact O-N 3.3Å; M1127-R1130 PolarHBondContact SD-NH1 3.46Å; M1127-R1130 PolarHBondContact SD-NH2 3.15Å; M1127-D1131 PolarHBondContact O-N 3.01Å |
| 1128 | R | 91.8 | Very high | 88.8 | Confident | 53 Ų | 53 | 54 Ų | 54 | 20% | 0.2 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.9 | -34.5 | 179.1 | -54.8 | -177 | 81.3 | -168.3 | 1.4 | 111.6 | V1067 S1126 A1132 R1686 L1687 N1689 D1690 | V1067-R1128 HydrophobicContact CG2-CB 4.14Å; V1067-R1128 WeakPolarHBondContact CG2-O 3.41Å; S1126-R1128 VanDerWaalsContact C-N 3.3Å; S1126-R1128 PolarHBondContact O-N 2.96Å; R1128-A1132 WeakPolarHBondContact O-CB 3.44Å; R1128-A1132 PolarHBondContact O-N 3.01Å; R1128-A1132 VanDerWaalsContact O-N 3.14Å; R1128-R1686 PolarHBondContact NH2-O 3.06Å; R1128-L1687 PolarHBondContact NH1-O 2.76Å; R1128-L1687 PolarHBondContact NH2-O 3.33Å; R1128-N1689 PolarHBondContact NH2-O 3.32Å; R1128-D1690 IonicContact NH1-OD1 3.14Å |
| 1129 | V | 94.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.1 | -41.9 | 173.8 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | H1063 I1066 V1067 F1070 S1126 M1127 A1132 A1133 | H1063-V1129 HydrophobicContact CB-CG2 4.27Å; I1066-V1129 HydrophobicContact CB-CG2 4Å; I1066-V1129 HydrophobicContact CD1-CG2 4.41Å; I1066-V1129 HydrophobicContact CG2-CB 4.32Å; I1066-V1129 HydrophobicContact CG2-CG1 3.74Å; I1066-V1129 HydrophobicContact CG2-CG2 3.64Å; V1067-V1129 HydrophobicContact CG2-CG2 4.34Å; F1070-V1129 HydrophobicContact CE2-CG1 4.05Å; S1126-V1129 PolarHBondContact O-N 2.87Å; S1126-V1129 PolarHBondContact OG-N 2.7Å; M1127-V1129 VanDerWaalsContact C-N 3.29Å; M1127-V1129 PolarHBondContact O-N 3.06Å; V1129-A1132 PolarHBondContact O-N 2.85Å; V1129-A1133 WeakPolarHBondContact O-CB 3.31Å; V1129-A1133 PolarHBondContact O-N 3.47Å |
| 1130 | R | 94.5 | Very high | 90.5 | Very high | 52 Ų | 52 | 42.5 Ų | 42.5 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.7 | -52.5 | 175.8 | -161.7 | -157.2 | 66 | -150.3 | -15.9 | 111.5 | G1100 I1101 P1124 S1126 M1127 A1132 A1133 E1134 | G1100-R1130 WeakPolarHBondContact O-CA 3.49Å; I1101-R1130 HydrophobicContact CG2-CG 4.49Å; P1124-R1130 HydrophobicContact CB-CB 3.89Å; P1124-R1130 HydrophobicContact CB-CG 4.14Å; P1124-R1130 HydrophobicContact CG-CB 3.97Å; P1124-R1130 HydrophobicContact CG-CG 4.04Å; S1126-R1130 PolarHBondContact O-N 3.43Å; M1127-R1130 WeakPolarHBondContact O-CB 3.4Å; M1127-R1130 PolarHBondContact O-N 3.3Å; M1127-R1130 PolarHBondContact SD-NH1 3.46Å; M1127-R1130 PolarHBondContact SD-NH2 3.15Å; R1130-A1132 VanDerWaalsContact C-N 3.28Å; R1130-A1132 PolarHBondContact O-N 3.36Å; R1130-A1133 PolarHBondContact O-N 3.41Å; R1130-A1133 VanDerWaalsContact O-N 3.11Å; R1130-E1134 VanDerWaalsContact CD-OE1 3.3Å; R1130-E1134 WeakPolarHBondContact CD-OE1 3.49Å; R1130-E1134 IonicContact CZ-OE1 2.7Å; R1130-E1134 IonicContact NE-OE1 2.85Å; R1130-E1134 PolarHBondContact NE-OE1 2.98Å; R1130-E1134 IonicContact NH2-OE1 3.47Å; R1130-E1134 WeakPolarHBondContact O-CG 3.47Å; R1130-E1134 PolarHBondContact O-N 3.34Å |
| 1131 | D | 93.7 | Very high | 91.1 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.6 | -33.4 | -179.8 | -66 | -28.9 | 0 | 0 | 0 | 111.9 | M1127 N1135 H1696 V1697 R1700 | M1127-D1131 PolarHBondContact O-N 3.01Å; D1131-N1135 WeakPolarHBondContact O-CB 3Å; D1131-N1135 PolarHBondContact O-N 3Å; D1131-H1696 PolarHBondContact O-CE1 3.29Å; D1131-H1696 PolarHBondContact O-NE2 2.9Å; D1131-V1697 HydrophobicContact CB-CG2 3.97Å; D1131-R1700 IonicContact OD1-CZ 2.79Å; D1131-R1700 IonicContact OD1-NH2 3.94Å; D1131-R1700 PolarHBondContact OD1-NH2 3Å |
| 1132 | A | 95.6 | Very high | 91.5 | Very high | 13 Ų | 13 | 44.6 Ų | 44.6 | 11% | 0.107 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.1 | -37 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V1067 F1070 R1128 V1129 R1130 N1135 L1136 | V1067-A1132 HydrophobicContact CB-CB 4.39Å; V1067-A1132 HydrophobicContact CG1-CB 4.12Å; V1067-A1132 HydrophobicContact CG2-CB 4.01Å; F1070-A1132 HydrophobicContact CB-CB 4.14Å; F1070-A1132 HydrophobicContact CD2-CB 4.43Å; F1070-A1132 HydrophobicContact CG-CB 4.41Å; R1128-A1132 WeakPolarHBondContact O-CB 3.44Å; R1128-A1132 PolarHBondContact O-N 3.01Å; R1128-A1132 VanDerWaalsContact O-N 3.14Å; V1129-A1132 PolarHBondContact O-N 2.85Å; R1130-A1132 VanDerWaalsContact C-N 3.28Å; R1130-A1132 PolarHBondContact O-N 3.36Å; A1132-N1135 PolarHBondContact O-N 3.37Å; A1132-L1136 PolarHBondContact O-N 2.97Å; A1132-L1136 VanDerWaalsContact O-N 3.08Å |
| 1133 | A | 96.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.8 | -39 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1070 I1101 V1129 R1130 N1135 L1136 L1137 | F1070-A1133 HydrophobicContact CD1-CB 4.32Å; F1070-A1133 HydrophobicContact CE1-CB 3.77Å; F1070-A1133 HydrophobicContact CE2-CB 4.43Å; F1070-A1133 HydrophobicContact CZ-CB 3.83Å; I1101-A1133 HydrophobicContact CG1-CB 3.82Å; V1129-A1133 WeakPolarHBondContact O-CB 3.31Å; V1129-A1133 PolarHBondContact O-N 3.47Å; R1130-A1133 PolarHBondContact O-N 3.41Å; R1130-A1133 VanDerWaalsContact O-N 3.11Å; A1133-N1135 VanDerWaalsContact C-N 3.33Å; A1133-N1135 PolarHBondContact O-N 3.35Å; A1133-L1136 PolarHBondContact O-N 3.39Å; A1133-L1137 PolarHBondContact O-N 2.72Å |
| 1134 | E | 93 | Very high | 91.9 | Very high | 33 Ų | 33 | 35.5 Ų | 35.5 | 15% | 0.154 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.9 | -46.1 | 169.3 | -72.2 | 169.5 | -165.9 | 0 | 0 | 111 | I1101 R1130 L1136 L1137 T1138 R1700 | I1101-E1134 HydrophobicContact CD1-CG 4.18Å; I1101-E1134 HydrophobicContact CG1-CG 4.17Å; R1130-E1134 VanDerWaalsContact CD-OE1 3.3Å; R1130-E1134 WeakPolarHBondContact CD-OE1 3.49Å; R1130-E1134 IonicContact CZ-OE1 2.7Å; R1130-E1134 IonicContact NE-OE1 2.85Å; R1130-E1134 PolarHBondContact NE-OE1 2.98Å; R1130-E1134 IonicContact NH2-OE1 3.47Å; R1130-E1134 WeakPolarHBondContact O-CG 3.47Å; R1130-E1134 PolarHBondContact O-N 3.34Å; E1134-L1136 VanDerWaalsContact C-N 3.34Å; E1134-L1136 PolarHBondContact O-N 3.03Å; E1134-L1137 WeakPolarHBondContact O-CB 3.48Å; E1134-L1137 PolarHBondContact O-N 2.92Å; E1134-T1138 PolarHBondContact O-N 3.36Å; E1134-T1138 VanDerWaalsContact O-N 3.08Å; E1134-T1138 PolarHBondContact O-OG1 3.03Å; E1134-R1700 IonicContact OE1-NH1 2.76Å; E1134-R1700 IonicContact OE2-CZ 3.18Å; E1134-R1700 IonicContact OE2-NH1 2.76Å; E1134-R1700 PolarHBondContact OE2-NH1 3Å; E1134-R1700 IonicContact OE2-NH2 3.69Å; E1134-R1700 PolarHBondContact OE2-NH2 2.68Å |
| 1135 | N | 93.4 | Very high | 91.8 | Very high | 43 Ų | 43 | 36.9 Ų | 36.9 | 23% | 0.23 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.6 | -36.4 | 177.3 | -165.1 | 111.9 | 0 | 0 | 0 | 112.9 | D1131 A1132 A1133 I1139 H1696 | D1131-N1135 WeakPolarHBondContact O-CB 3Å; D1131-N1135 PolarHBondContact O-N 3Å; A1132-N1135 PolarHBondContact O-N 3.37Å; A1133-N1135 VanDerWaalsContact C-N 3.33Å; A1133-N1135 PolarHBondContact O-N 3.35Å; N1135-I1139 VanDerWaalsContact ND2-CD1 3.27Å; N1135-I1139 WeakPolarHBondContact ND2-CD1 3.38Å; N1135-I1139 WeakPolarHBondContact O-CG1 3.24Å; N1135-I1139 PolarHBondContact O-N 3.26Å; N1135-I1139 VanDerWaalsContact O-N 3.16Å; N1135-H1696 PolarHBondContact OD1-CE1 3.16Å; N1135-H1696 VanDerWaalsContact OD1-CE1 3.25Å; N1135-H1696 PolarHBondContact OD1-ND1 3.15Å |
| 1136 | L | 95.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.9 | -41.6 | 175.3 | 179 | 60.6 | 0 | 0 | 0 | 111.2 | F1070 T1073 A1074 L1077 V1093 V1097 A1132 A1133 E1134 T1138 I1139 I1140 | F1070-L1136 HydrophobicContact CD1-CB 4.26Å; F1070-L1136 HydrophobicContact CD1-CD2 3.67Å; F1070-L1136 HydrophobicContact CE1-CD2 4.19Å; T1073-L1136 HydrophobicContact CG2-CD1 4.4Å; T1073-L1136 HydrophobicContact CG2-CD2 3.85Å; A1074-L1136 HydrophobicContact CB-CD1 3.84Å; L1077-L1136 HydrophobicContact CD1-CD1 4.24Å; V1093-L1136 HydrophobicContact CG1-CD2 4.34Å; V1097-L1136 HydrophobicContact CG2-CB 4.3Å; V1097-L1136 HydrophobicContact CG2-CD2 3.75Å; V1097-L1136 HydrophobicContact CG2-CG 3.98Å; A1132-L1136 PolarHBondContact O-N 2.97Å; A1132-L1136 VanDerWaalsContact O-N 3.08Å; A1133-L1136 PolarHBondContact O-N 3.39Å; E1134-L1136 VanDerWaalsContact C-N 3.34Å; E1134-L1136 PolarHBondContact O-N 3.03Å; L1136-T1138 PolarHBondContact O-N 3.08Å; L1136-I1139 PolarHBondContact O-N 2.96Å; L1136-I1140 HydrophobicContact CD1-CD1 4.07Å; L1136-I1140 HydrophobicContact CD1-CG1 4.33Å; L1136-I1140 HydrophobicContact CG-CD1 3.87Å; L1136-I1140 WeakPolarHBondContact O-CD1 3.49Å; L1136-I1140 VanDerWaalsContact O-CG1 3.31Å; L1136-I1140 WeakPolarHBondContact O-CG1 3.26Å; L1136-I1140 PolarHBondContact O-N 3.42Å |
| 1137 | L | 94.9 | Very high | 91.6 | Very high | 53 Ų | 53 | 45.8 Ų | 45.8 | 28% | 0.277 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.8 | -46.7 | 176.6 | -176.6 | 55.4 | 0 | 0 | 0 | 111.7 | L1094 V1097 I1101 A1133 E1134 I1140 L1141 | L1094-L1137 HydrophobicContact CD2-CD1 4.13Å; V1097-L1137 HydrophobicContact CG1-CB 3.82Å; V1097-L1137 HydrophobicContact CG1-CD1 4.25Å; V1097-L1137 HydrophobicContact CG1-CD2 4.31Å; V1097-L1137 HydrophobicContact CG1-CG 4.35Å; I1101-L1137 HydrophobicContact CD1-CD2 4.11Å; A1133-L1137 PolarHBondContact O-N 2.72Å; E1134-L1137 WeakPolarHBondContact O-CB 3.48Å; E1134-L1137 PolarHBondContact O-N 2.92Å; L1137-I1140 WeakPolarHBondContact O-CB 3.28Å; L1137-I1140 PolarHBondContact O-N 3.47Å; L1137-L1141 HydrophobicContact CD1-CD1 3.94Å; L1137-L1141 HydrophobicContact CD1-CG 4.3Å; L1137-L1141 HydrophobicContact CG-CD1 3.98Å; L1137-L1141 WeakPolarHBondContact O-CG 3.22Å; L1137-L1141 PolarHBondContact O-N 2.98Å; L1137-L1141 VanDerWaalsContact O-N 3.09Å |
| 1138 | T | 89.9 | Confident | 91.4 | Very high | 17 Ų | 17 | 44.3 Ų | 44.3 | 10% | 0.104 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.2 | -45 | 177.2 | -51.5 | 0 | 0 | 0 | 0 | 112 | E1134 L1136 I1140 L1141 E1142 F1223 | E1134-T1138 PolarHBondContact O-N 3.36Å; E1134-T1138 VanDerWaalsContact O-N 3.08Å; E1134-T1138 PolarHBondContact O-OG1 3.03Å; L1136-T1138 PolarHBondContact O-N 3.08Å; T1138-I1140 PolarHBondContact O-N 3.5Å; T1138-L1141 PolarHBondContact O-N 3.46Å; T1138-E1142 HydrophobicContact CG2-CB 4.42Å; T1138-E1142 HydrophobicContact CG2-CG 3.93Å; T1138-E1142 WeakPolarHBondContact CG2-OE1 3.41Å; T1138-E1142 VanDerWaalsContact CG2-OE2 3.31Å; T1138-E1142 WeakPolarHBondContact CG2-OE2 3.39Å; T1138-E1142 WeakPolarHBondContact O-CB 3.38Å; T1138-E1142 PolarHBondContact O-N 3.46Å; T1138-F1223 HydrophobicContact CG2-CB 3.97Å; T1138-F1223 HydrophobicContact CG2-CD1 3.75Å; T1138-F1223 HydrophobicContact CG2-CD2 3.38Å; T1138-F1223 HydrophobicContact CG2-CE1 4.08Å; T1138-F1223 HydrophobicContact CG2-CE2 3.76Å; T1138-F1223 HydrophobicContact CG2-CG 3.39Å; T1138-F1223 HydrophobicContact CG2-CZ 4.11Å; T1138-F1223 WeakPolarHBondContact OG1-CE1 3.5Å; T1138-F1223 WeakPolarHBondContact OG1-CE2 3.25Å; T1138-F1223 WeakPolarHBondContact OG1-CZ 3.37Å |
| 1139 | I | 92.7 | Very high | 90.9 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -55.9 | -42.6 | 177.6 | -76.4 | 174.6 | 0 | 0 | 0 | 110.8 | A1074 M1078 N1135 L1136 L1141 Q1143 V1144 V1495 | A1074-I1139 HydrophobicContact CB-CD1 4.06Å; M1078-I1139 HydrophobicContact CG-CG2 3.77Å; M1078-I1139 HydrophobicContact SD-CG2 3.52Å; M1078-I1139 VanDerWaalsContact SD-CG2 3.52Å; N1135-I1139 VanDerWaalsContact ND2-CD1 3.27Å; N1135-I1139 WeakPolarHBondContact ND2-CD1 3.38Å; N1135-I1139 WeakPolarHBondContact O-CG1 3.24Å; N1135-I1139 PolarHBondContact O-N 3.26Å; N1135-I1139 VanDerWaalsContact O-N 3.16Å; L1136-I1139 PolarHBondContact O-N 2.96Å; I1139-L1141 PolarHBondContact O-N 2.78Å; I1139-Q1143 WeakPolarHBondContact O-CB 3.46Å; I1139-Q1143 PolarHBondContact O-N 3.03Å; I1139-V1144 HydrophobicContact CG2-CG2 4.09Å; I1139-V1144 WeakPolarHBondContact O-CG2 3.29Å; I1139-V1144 PolarHBondContact O-N 2.9Å; I1139-V1495 HydrophobicContact CD1-CG1 4.08Å; I1139-V1495 HydrophobicContact CG1-CG1 4.47Å; I1139-V1495 HydrophobicContact CG1-CG2 4.28Å |
| 1140 | I | 94 | Very high | 90.3 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 9% | 0.092 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -63.1 | -37.6 | 176.6 | -71.2 | 164.9 | 0 | 0 | 0 | 112.6 | L1077 L1084 V1093 L1136 L1137 T1138 | L1077-I1140 HydrophobicContact CD1-CD1 3.97Å; L1077-I1140 HydrophobicContact CD1-CG1 3.95Å; L1084-I1140 HydrophobicContact CD1-CG2 4Å; L1084-I1140 HydrophobicContact CD2-CG2 4.42Å; V1093-I1140 HydrophobicContact CG1-CD1 3.47Å; V1093-I1140 VanDerWaalsContact CG1-CD1 3.47Å; L1136-I1140 HydrophobicContact CD1-CD1 4.07Å; L1136-I1140 HydrophobicContact CD1-CG1 4.33Å; L1136-I1140 HydrophobicContact CG-CD1 3.87Å; L1136-I1140 WeakPolarHBondContact O-CD1 3.49Å; L1136-I1140 VanDerWaalsContact O-CG1 3.31Å; L1136-I1140 WeakPolarHBondContact O-CG1 3.26Å; L1136-I1140 PolarHBondContact O-N 3.42Å; L1137-I1140 WeakPolarHBondContact O-CB 3.28Å; L1137-I1140 PolarHBondContact O-N 3.47Å; T1138-I1140 PolarHBondContact O-N 3.5Å |
| 1141 | L | 90.2 | Very high | 89.7 | Confident | 132 Ų | 132 | 51.3 Ų | 51.3 | 69% | 0.691 | 28% | 0.275 | S | S | * | . | I | π-helix | trans | -86.8 | -32.5 | -175 | -68.3 | 172.8 | 0 | 0 | 0 | 114.4 | L1137 T1138 I1139 | L1137-L1141 HydrophobicContact CD1-CD1 3.94Å; L1137-L1141 HydrophobicContact CD1-CG 4.3Å; L1137-L1141 HydrophobicContact CG-CD1 3.98Å; L1137-L1141 WeakPolarHBondContact O-CG 3.22Å; L1137-L1141 PolarHBondContact O-N 2.98Å; L1137-L1141 VanDerWaalsContact O-N 3.09Å; T1138-L1141 PolarHBondContact O-N 3.46Å; I1139-L1141 PolarHBondContact O-N 2.78Å |
| 1142 | E | 85 | Confident | 89.4 | Confident | 75 Ų | 75 | 51.5 Ų | 51.5 | 35% | 0.35 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -109.9 | -29 | -171.7 | -68.1 | 179.1 | -174.7 | 0 | 0 | 114.4 | T1138 | T1138-E1142 HydrophobicContact CG2-CB 4.42Å; T1138-E1142 HydrophobicContact CG2-CG 3.93Å; T1138-E1142 WeakPolarHBondContact CG2-OE1 3.41Å; T1138-E1142 VanDerWaalsContact CG2-OE2 3.31Å; T1138-E1142 WeakPolarHBondContact CG2-OE2 3.39Å; T1138-E1142 WeakPolarHBondContact O-CB 3.38Å; T1138-E1142 PolarHBondContact O-N 3.46Å |
| 1143 | Q | 88.3 | Confident | 89 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 8% | 0.075 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -121.2 | -32.9 | -158.5 | -52 | -69.7 | -35.5 | 0 | 0 | 114 | M1078 I1139 G1145 Y1146 F1147 V1495 | M1078-Q1143 HydrophobicContact CE-CB 4.19Å; M1078-Q1143 HydrophobicContact SD-CB 3.94Å; I1139-Q1143 WeakPolarHBondContact O-CB 3.46Å; I1139-Q1143 PolarHBondContact O-N 3.03Å; Q1143-G1145 PolarHBondContact O-N 2.75Å; Q1143-Y1146 PolarHBondContact O-N 3.05Å; Q1143-F1147 PolarHBondContact O-N 3.03Å; Q1143-F1147 VanDerWaalsContact O-N 3.15Å; Q1143-V1495 HydrophobicContact CB-CG2 3.6Å; Q1143-V1495 HydrophobicContact CG-CG2 3.48Å; Q1143-V1495 VanDerWaalsContact CG-CG2 3.48Å |
| 1144 | V | 89.3 | Confident | 88.6 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 13% | 0.127 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 118.2 | 179.6 | 176.1 | 0 | 0 | 0 | 0 | 110 | L1077 M1078 P1081 L1084 I1139 Y1146 | L1077-V1144 HydrophobicContact CB-CG2 4.21Å; L1077-V1144 WeakPolarHBondContact O-CG1 3.38Å; M1078-V1144 HydrophobicContact CG-CG2 4.37Å; M1078-V1144 HydrophobicContact SD-CB 4.33Å; M1078-V1144 HydrophobicContact SD-CG2 3.57Å; M1078-V1144 VanDerWaalsContact SD-CG2 3.57Å; P1081-V1144 HydrophobicContact CB-CG1 3.68Å; P1081-V1144 HydrophobicContact CG-CG1 4.16Å; L1084-V1144 HydrophobicContact CD1-CB 3.78Å; L1084-V1144 HydrophobicContact CD1-CG1 3.52Å; L1084-V1144 HydrophobicContact CD1-CG2 4.1Å; L1084-V1144 HydrophobicContact CG-CG1 4.2Å; I1139-V1144 HydrophobicContact CG2-CG2 4.09Å; I1139-V1144 WeakPolarHBondContact O-CG2 3.29Å; I1139-V1144 PolarHBondContact O-N 2.9Å; V1144-Y1146 VanDerWaalsContact C-N 3.26Å; V1144-Y1146 PolarHBondContact O-N 3.44Å |
| 1145 | G | 85.9 | Confident | 88.3 | Confident | 60 Ų | 60 | 54.7 Ų | 54.7 | 62% | 0.619 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | -2.9 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q1143 | Q1143-G1145 PolarHBondContact O-N 2.75Š|
| 1146 | Y | 85.7 | Confident | 88 | Confident | 188 Ų | 188 | 53.6 Ų | 53.6 | 74% | 0.737 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | 0.6 | 178.5 | -100.5 | -80.9 | 0 | 0 | 0 | 114 | Q1143 V1144 P1148 | Q1143-Y1146 PolarHBondContact O-N 3.05Å; V1144-Y1146 VanDerWaalsContact C-N 3.26Å; V1144-Y1146 PolarHBondContact O-N 3.44Å; Y1146-P1148 CarbonylContact O-C 3.57Å |
| 1147 | F | 88.2 | Confident | 87.5 | Confident | 51 Ų | 51 | 54.6 Ų | 54.6 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | trans | -105.6 | 136.6 | 176.1 | -177.7 | -95.2 | 0 | 0 | 0 | 111.2 | M1078 Q1143 P1153 I1156 R1401 | M1078-F1147 HydrophobicContact CE-CB 3.55Å; M1078-F1147 HydrophobicContact CE-CD1 4.18Å; M1078-F1147 HydrophobicContact CE-CG 4.04Å; Q1143-F1147 PolarHBondContact O-N 3.03Å; Q1143-F1147 VanDerWaalsContact O-N 3.15Å; F1147-P1153 HydrophobicContact CZ-CB 4.19Å; F1147-I1156 HydrophobicContact CD2-CG2 4.08Å; F1147-I1156 HydrophobicContact CE2-CG2 4.06Å; F1147-R1401 VanDerWaalsContact CE2-NH2 3.34Å | ||
| 1148 | P | 85.6 | Confident | 87.2 | Confident | 82 Ų | 82 | 53.3 Ų | 53.3 | 53% | 0.532 | 29% | 0.294 | S | S | . | . | S | Bend | cis | -67.9 | 155.9 | -3.4 | 30.6 | -36.3 | 0 | 0 | 0 | 112.7 | Y1146 P1153 | Y1146-P1148 CarbonylContact O-C 3.57Å; P1148-P1153 HydrophobicContact CB-CB 4.33Å |
| 1149 | S | 81.9 | Confident | 87 | Confident | 39 Ų | 39 | 55.8 Ų | 55.8 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -81.4 | 174.1 | 178.8 | 81 | 0 | 0 | 0 | 0 | 111.7 | C1151 G1152 S1155 | S1149-C1151 PolarHBondContact O-N 3.16Å; S1149-C1151 PolarHBondContact OG-N 3.14Å; S1149-G1152 WeakPolarHBondContact O-CA 3.49Å; S1149-G1152 PolarHBondContact O-N 2.84Å; S1149-S1155 PolarHBondContact OG-O 2.9Å |
| 1150 | E | 81.4 | Confident | 86.8 | Confident | 182 Ų | 182 | 59 Ų | 59 | 85% | 0.85 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -18.1 | 168.6 | -54.8 | -64.6 | 163 | 0 | 0 | 113.1 | G1152 | E1150-G1152 VanDerWaalsContact C-N 3.32Š|
| 1151 | C | 81.7 | Confident | 86.4 | Confident | 30 Ų | 30 | 60.8 Ų | 60.8 | 20% | 0.203 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 23.3 | 172.4 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | S1149 L1159 | S1149-C1151 PolarHBondContact O-N 3.16Å; S1149-C1151 PolarHBondContact OG-N 3.14Å; C1151-L1159 HydrophobicContact CB-CD1 4.12Å; C1151-L1159 HydrophobicContact CB-CG 4.19Å |
| 1152 | G | 87.3 | Confident | 86.4 | Confident | 17 Ų | 17 | 54.9 Ų | 54.9 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | 71.2 | -177.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | S1149 E1150 E1154 | S1149-G1152 WeakPolarHBondContact O-CA 3.49Å; S1149-G1152 PolarHBondContact O-N 2.84Å; E1150-G1152 VanDerWaalsContact C-N 3.32Å; G1152-E1154 WeakPolarHBondContact CA-OE2 3.39Å; G1152-E1154 PolarHBondContact O-N 3.05Å |
| 1153 | P | 88.2 | Confident | 86.4 | Confident | 37 Ų | 37 | 53.6 Ų | 53.6 | 24% | 0.24 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -18.7 | 170.3 | 29.6 | -36.6 | 0 | 0 | 0 | 113.3 | F1147 P1148 S1155 R1401 W1446 | F1147-P1153 HydrophobicContact CZ-CB 4.19Å; P1148-P1153 HydrophobicContact CB-CB 4.33Å; P1153-S1155 VanDerWaalsContact C-N 3.32Å; P1153-S1155 PolarHBondContact O-N 2.91Å; P1153-R1401 VanDerWaalsContact O-CZ 3.23Å; P1153-R1401 PolarHBondContact O-NH1 2.72Å; P1153-R1401 PolarHBondContact O-NH2 3.44Å; P1153-W1446 HydrophobicContact CB-CH2 3.92Å; P1153-W1446 HydrophobicContact CB-CZ3 4.09Å; P1153-W1446 HydrophobicContact CG-CH2 4.1Å; P1153-W1446 HydrophobicContact CG-CZ3 4.01Å |
| 1154 | E | 87.6 | Confident | 86.2 | Confident | 63 Ų | 63 | 54 Ų | 54 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -22.5 | 179.5 | 61.1 | -90.3 | -142.2 | 0 | 0 | 114 | G1152 R1401 S1454 Y1491 | G1152-E1154 WeakPolarHBondContact CA-OE2 3.39Å; G1152-E1154 PolarHBondContact O-N 3.05Å; E1154-R1401 VanDerWaalsContact C-NH1 3.35Å; E1154-R1401 PolarHBondContact O-NH1 3.44Å; E1154-R1401 VanDerWaalsContact O-NH1 3.09Å; E1154-S1454 WeakPolarHBondContact CG-OG 3.22Å; E1154-Y1491 HydrophobicContact CB-CE1 4.18Å |
| 1155 | S | 87.9 | Confident | 86.1 | Confident | 14 Ų | 14 | 53.5 Ų | 53.5 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | trans | -138.6 | 132.1 | 176.8 | -165.8 | 0 | 0 | 0 | 0 | 114.3 | S1149 P1153 S1157 | S1149-S1155 PolarHBondContact OG-O 2.9Å; P1153-S1155 VanDerWaalsContact C-N 3.32Å; P1153-S1155 PolarHBondContact O-N 2.91Å; S1155-S1157 PolarHBondContact OG-N 3.11Å; S1155-S1157 PolarHBondContact OG-O 3.32Å | ||
| 1156 | I | 86.3 | Confident | 85.8 | Confident | 20 Ų | 20 | 50.9 Ų | 50.9 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -93.3 | 0.2 | 162.5 | 55.5 | 169.4 | 0 | 0 | 0 | 112.6 | F1147 A1400 R1401 | F1147-I1156 HydrophobicContact CD2-CG2 4.08Å; F1147-I1156 HydrophobicContact CE2-CG2 4.06Å; I1156-A1400 HydrophobicContact CD1-CB 3.76Å; I1156-A1400 HydrophobicContact CG1-CB 4.29Å; I1156-R1401 HydrophobicContact CD1-CG 4.05Å; I1156-R1401 HydrophobicContact CG1-CG 4.49Å |
| 1157 | S | 86.5 | Confident | 85.5 | Confident | 24 Ų | 24 | 48.4 Ų | 48.4 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -112.5 | 140.3 | 175.2 | -69.8 | 0 | 0 | 0 | 0 | 111.3 | S1155 L1159 G1224 R1225 | S1155-S1157 PolarHBondContact OG-N 3.11Å; S1155-S1157 PolarHBondContact OG-O 3.32Å; S1157-L1159 PolarHBondContact O-N 2.88Å; S1157-G1224 WeakPolarHBondContact OG-CA 3.42Å; S1157-R1225 CarbonylContact C-O 3.56Å; S1157-R1225 WeakPolarHBondContact CA-O 3.36Å; S1157-R1225 PolarHBondContact OG-N 3.19Å; S1157-R1225 VanDerWaalsContact OG-N 3.1Å |
| 1158 | S | 87.7 | Confident | 84.9 | Confident | 25 Ų | 25 | 51.9 Ų | 51.9 | 18% | 0.175 | 28% | 0.281 | C | S | . | . | trans | -61.1 | 125.5 | 173.2 | -172.9 | 0 | 0 | 0 | 0 | 110.9 | L1160 R1225 | S1158-L1160 PolarHBondContact O-N 2.93Å; S1158-L1160 PolarHBondContact OG-N 2.87Å; S1158-R1225 PolarHBondContact N-O 3.39Å; S1158-R1225 PolarHBondContact O-NE 3.1Å; S1158-R1225 PolarHBondContact O-NH2 2.92Å | ||
| 1159 | L | 86.2 | Confident | 84.5 | Confident | 69 Ų | 69 | 48.3 Ų | 48.3 | 36% | 0.361 | 26% | 0.258 | S | S | . | . | trans | -69.8 | -11.8 | 176.8 | -60.6 | 173.2 | 0 | 0 | 0 | 112.8 | C1151 S1157 D1161 R1225 L1466 | C1151-L1159 HydrophobicContact CB-CD1 4.12Å; C1151-L1159 HydrophobicContact CB-CG 4.19Å; S1157-L1159 PolarHBondContact O-N 2.88Å; L1159-D1161 PolarHBondContact O-N 3.08Å; L1159-R1225 PolarHBondContact O-NH2 3.08Å; L1159-L1466 HydrophobicContact CD1-CD1 3.98Å; L1159-L1466 HydrophobicContact CD2-CD1 4.1Å; L1159-L1466 HydrophobicContact CG-CD1 4.49Å | ||
| 1160 | L | 87.2 | Confident | 83.7 | Confident | 77 Ų | 77 | 50.9 Ų | 50.9 | 40% | 0.403 | 27% | 0.269 | S | S | . | . | trans | -67.8 | 126.8 | 172.6 | -61.6 | 175.4 | 0 | 0 | 0 | 111.3 | S1158 A1164 L1165 R1225 A1227 | S1158-L1160 PolarHBondContact O-N 2.93Å; S1158-L1160 PolarHBondContact OG-N 2.87Å; L1160-A1164 HydrophobicContact CD2-CB 4.38Å; L1160-L1165 HydrophobicContact CD1-CD2 4.37Å; L1160-R1225 VanDerWaalsContact O-CZ 3.25Å; L1160-R1225 PolarHBondContact O-NE 3.31Å; L1160-R1225 PolarHBondContact O-NH2 3.21Å; L1160-A1227 HydrophobicContact CB-CB 4.01Å; L1160-A1227 HydrophobicContact CD1-CB 3.9Å | ||
| 1161 | D | 86.5 | Confident | 82.9 | Confident | 55 Ų | 55 | 45.8 Ų | 45.8 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | trans | -125.1 | 179.8 | 172.2 | 70.2 | 11.3 | 0 | 0 | 0 | 110.9 | L1159 L1163 A1164 L1165 | L1159-D1161 PolarHBondContact O-N 3.08Å; D1161-L1163 PolarHBondContact O-N 3.12Å; D1161-L1163 WeakPolarHBondContact OD1-CA 3.4Å; D1161-L1163 WeakPolarHBondContact OD1-CB 3.31Å; D1161-L1163 PolarHBondContact OD1-N 3.2Å; D1161-A1164 PolarHBondContact O-N 3.39Å; D1161-A1164 WeakPolarHBondContact OD1-CB 3.32Å; D1161-A1164 PolarHBondContact OD1-N 2.93Å; D1161-L1165 WeakPolarHBondContact O-CG 3.48Å; D1161-L1165 PolarHBondContact O-N 2.89Å | ||
| 1162 | E | 89.3 | Confident | 81.6 | Confident | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.6 | -37.3 | 179 | -69.8 | 83.8 | 167.9 | 0 | 0 | 112.6 | M1166 A1183 I1184 F1187 Y1189 L1218 R1220 | E1162-M1166 WeakPolarHBondContact O-CB 3.28Å; E1162-M1166 VanDerWaalsContact O-CG 3.24Å; E1162-M1166 WeakPolarHBondContact O-CG 3.37Å; E1162-M1166 PolarHBondContact O-N 2.95Å; E1162-A1183 HydrophobicContact CB-CB 3.94Å; E1162-I1184 HydrophobicContact CG-CG1 4.41Å; E1162-F1187 HydrophobicContact CB-CD2 4.3Å; E1162-F1187 HydrophobicContact CB-CE2 3.88Å; E1162-F1187 HydrophobicContact CB-CZ 4.29Å; E1162-F1187 HydrophobicContact CG-CD1 4.38Å; E1162-F1187 HydrophobicContact CG-CD2 3.8Å; E1162-F1187 HydrophobicContact CG-CE1 4.3Å; E1162-F1187 HydrophobicContact CG-CE2 3.73Å; E1162-F1187 HydrophobicContact CG-CG 4.14Å; E1162-F1187 HydrophobicContact CG-CZ 3.98Å; E1162-Y1189 VanDerWaalsContact CD-OH 3.25Å; E1162-Y1189 VanDerWaalsContact CG-OH 3.31Å; E1162-Y1189 WeakPolarHBondContact CG-OH 3.48Å; E1162-Y1189 PolarHBondContact OE1-OH 3.04Å; E1162-L1218 VanDerWaalsContact CD-CD1 3.47Å; E1162-L1218 HydrophobicContact CG-CD1 3.83Å; E1162-R1220 IonicContact OE1-CZ 3.93Å; E1162-R1220 IonicContact OE1-NH1 3.42Å; E1162-R1220 PolarHBondContact OE1-NH1 2.92Å; E1162-R1220 IonicContact OE1-NH2 3.87Å; E1162-R1220 PolarHBondContact OE1-NH2 2.96Å; E1162-R1220 IonicContact OE2-CZ 2.72Å; E1162-R1220 IonicContact OE2-NH1 3.91Å; E1162-R1220 PolarHBondContact OE2-NH1 3.06Å; E1162-R1220 IonicContact OE2-NH2 3.61Å; E1162-R1220 PolarHBondContact OE2-NH2 3.34Å |
| 1163 | L | 85.4 | Confident | 80.1 | Confident | 47 Ų | 47 | 51.5 Ų | 51.5 | 25% | 0.246 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -73.6 | -40.1 | -178.7 | -164.3 | 83.7 | 0 | 0 | 0 | 111.4 | D1161 K1167 | D1161-L1163 PolarHBondContact O-N 3.12Å; D1161-L1163 WeakPolarHBondContact OD1-CA 3.4Å; D1161-L1163 WeakPolarHBondContact OD1-CB 3.31Å; D1161-L1163 PolarHBondContact OD1-N 3.2Å; L1163-K1167 WeakPolarHBondContact O-CG 3.37Å; L1163-K1167 PolarHBondContact O-N 2.69Å |
| 1164 | A | 84.7 | Confident | 78.6 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1160 D1161 H1168 | L1160-A1164 HydrophobicContact CD2-CB 4.38Å; D1161-A1164 PolarHBondContact O-N 3.39Å; D1161-A1164 WeakPolarHBondContact OD1-CB 3.32Å; D1161-A1164 PolarHBondContact OD1-N 2.93Å; A1164-H1168 PolarHBondContact O-ND1 2.85Å |
| 1165 | L | 86 | Confident | 77 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.7 | -46 | 174.9 | -67.8 | 179.3 | 0 | 0 | 0 | 111.6 | L1160 D1161 K1167 H1168 C1169 F1187 L1205 T1216 L1218 | L1160-L1165 HydrophobicContact CD1-CD2 4.37Å; D1161-L1165 WeakPolarHBondContact O-CG 3.48Å; D1161-L1165 PolarHBondContact O-N 2.89Å; L1165-K1167 PolarHBondContact O-N 3.27Å; L1165-H1168 WeakPolarHBondContact O-CA 3.49Å; L1165-H1168 PolarHBondContact O-N 2.86Å; L1165-C1169 PolarHBondContact O-N 2.68Å; L1165-F1187 HydrophobicContact CB-CZ 4.23Å; L1165-F1187 HydrophobicContact CD1-CE1 4.1Å; L1165-F1187 HydrophobicContact CD1-CZ 3.84Å; L1165-L1205 HydrophobicContact CD2-CD1 3.9Å; L1165-L1205 WeakPolarHBondContact O-CD2 3.36Å; L1165-T1216 HydrophobicContact CD1-CG2 3.87Å; L1165-T1216 HydrophobicContact CD2-CG2 4.46Å; L1165-L1218 HydrophobicContact CD1-CD1 4.05Å; L1165-L1218 HydrophobicContact CD1-CD2 3.87Å; L1165-L1218 HydrophobicContact CD1-CG 3.91Å |
| 1166 | M | 81.2 | Confident | 75.1 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.02 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62 | -27.2 | -179.9 | -75.7 | -57.3 | -57.2 | 0 | 0 | 114.2 | E1162 H1168 C1169 M1172 A1183 K1186 F1187 | E1162-M1166 WeakPolarHBondContact O-CB 3.28Å; E1162-M1166 VanDerWaalsContact O-CG 3.24Å; E1162-M1166 WeakPolarHBondContact O-CG 3.37Å; E1162-M1166 PolarHBondContact O-N 2.95Å; M1166-H1168 PolarHBondContact O-N 3.46Å; M1166-C1169 HydrophobicContact CE-CB 4.14Å; M1166-C1169 PolarHBondContact O-N 3.09Å; M1166-C1169 HydrophobicContact SD-CB 4.34Å; M1166-C1169 VanDerWaalsContact SD-SG 3.66Å; M1166-M1172 HydrophobicContact CE-CE 4.3Å; M1166-M1172 HydrophobicContact CE-CG 4.05Å; M1166-M1172 HydrophobicContact CE-SD 3.64Å; M1166-A1183 HydrophobicContact CB-CB 4.32Å; M1166-A1183 HydrophobicContact CG-CB 3.72Å; M1166-K1186 HydrophobicContact CE-CG 4.13Å; M1166-K1186 HydrophobicContact SD-CB 4.1Å; M1166-K1186 HydrophobicContact SD-CG 4.29Å; M1166-F1187 HydrophobicContact CG-CE2 4.43Å |
| 1167 | K | 77.9 | Confident | 73.6 | Confident | 136 Ų | 136 | 58.2 Ų | 58.2 | 59% | 0.591 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -14.7 | 171.4 | -73.9 | 168.1 | -176.3 | 176.3 | 0 | 114 | L1163 L1165 A1177 | L1163-K1167 WeakPolarHBondContact O-CG 3.37Å; L1163-K1167 PolarHBondContact O-N 2.69Å; L1165-K1167 PolarHBondContact O-N 3.27Å; K1167-A1177 HydrophobicContact CG-CB 4.3Å |
| 1168 | H | 77.1 | Confident | 72.4 | Confident | 124 Ų | 124 | 61.1 Ų | 61.1 | 57% | 0.574 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | 7.2 | 179.1 | -57.8 | 89.8 | 0 | 0 | 0 | 112.7 | A1164 L1165 M1166 L1205 | A1164-H1168 PolarHBondContact O-ND1 2.85Å; L1165-H1168 WeakPolarHBondContact O-CA 3.49Å; L1165-H1168 PolarHBondContact O-N 2.86Å; M1166-H1168 PolarHBondContact O-N 3.46Å; H1168-L1205 HydrophobicContact CB-CD2 4.26Å; H1168-L1205 WeakPolarHBondContact O-CA 3.49Å |
| 1169 | C | 76.2 | Confident | 71.9 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 5% | 0.047 | 37% | 0.373 | C | S | . | . | trans | -82.7 | 121.3 | 173 | -71.1 | 0 | 0 | 0 | 0 | 110.8 | L1165 M1166 S1171 M1172 L1205 | L1165-C1169 PolarHBondContact O-N 2.68Å; M1166-C1169 HydrophobicContact CE-CB 4.14Å; M1166-C1169 PolarHBondContact O-N 3.09Å; M1166-C1169 HydrophobicContact SD-CB 4.34Å; M1166-C1169 VanDerWaalsContact SD-SG 3.66Å; C1169-S1171 PolarHBondContact O-N 3.16Å; C1169-M1172 PolarHBondContact O-N 2.78Å; C1169-L1205 VanDerWaalsContact SG-CD2 3.58Å | ||
| 1170 | N | 65.8 | Low | 71.5 | Confident | 93 Ų | 93 | 61.2 Ų | 61.2 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -8.2 | 179.1 | -76.4 | -9.1 | 0 | 0 | 0 | 114.5 | D1208 | N1170-D1208 PolarHBondContact ND2-OD1 2.86Å; N1170-D1208 PolarHBondContact ND2-OD2 2.82Å |
| 1171 | S | 63.3 | Low | 71.3 | Confident | 76 Ų | 76 | 62.6 Ų | 62.6 | 53% | 0.531 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -22 | -179.3 | 62.4 | 0 | 0 | 0 | 0 | 114.2 | C1169 E1203 | C1169-S1171 PolarHBondContact O-N 3.16Å; S1171-E1203 VanDerWaalsContact CB-OE2 3.24Å; S1171-E1203 WeakPolarHBondContact CB-OE2 3.5Å; S1171-E1203 PolarHBondContact OG-OE2 3.05Å |
| 1172 | M | 54.7 | Low | 71 | Confident | 59 Ų | 59 | 65 Ų | 65 | 29% | 0.291 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -110.7 | 140.4 | -172.8 | -83.8 | -159.9 | 159.8 | 0 | 0 | 113.3 | M1166 C1169 A1176 | M1166-M1172 HydrophobicContact CE-CE 4.3Å; M1166-M1172 HydrophobicContact CE-CG 4.05Å; M1166-M1172 HydrophobicContact CE-SD 3.64Å; C1169-M1172 PolarHBondContact O-N 2.78Å; M1172-A1176 HydrophobicContact CE-CB 4.44Å; M1172-A1176 HydrophobicContact SD-CB 4.05Å |
| 1173 | V | 56.4 | Low | 70.8 | Confident | 108 Ų | 108 | 64.8 Ų | 64.8 | 66% | 0.655 | 39% | 0.389 | S | S | * | . | trans | -66.2 | 133.1 | 163.7 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | A1175 A1176 | V1173-A1175 PolarHBondContact O-N 3.2Å; V1173-A1176 WeakPolarHBondContact O-CB 3.29Å; V1173-A1176 PolarHBondContact O-N 3Å | ||
| 1174 | P | 56.7 | Low | 70.9 | Confident | 125 Ų | 125 | 62.8 Ų | 62.8 | 81% | 0.812 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -54.6 | -23.3 | -173.2 | -31.4 | 36.4 | 0 | 0 | 0 | 116.4 | A1176 | P1174-A1176 VanDerWaalsContact C-N 3.28Å; P1174-A1176 PolarHBondContact O-N 3.13Å |
| 1175 | A | 53.2 | Low | 70.9 | Confident | 92 Ų | 92 | 64 Ų | 64 | 76% | 0.76 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -74.2 | -10.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1173 | V1173-A1175 PolarHBondContact O-N 3.2Š|
| 1176 | A | 49.5 | Very low | 70.9 | Confident | 37 Ų | 37 | 65.5 Ų | 65.5 | 31% | 0.306 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -90 | -19.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | M1172 V1173 P1174 A1178 Q1182 | M1172-A1176 HydrophobicContact CE-CB 4.44Å; M1172-A1176 HydrophobicContact SD-CB 4.05Å; V1173-A1176 WeakPolarHBondContact O-CB 3.29Å; V1173-A1176 PolarHBondContact O-N 3Å; P1174-A1176 VanDerWaalsContact C-N 3.28Å; P1174-A1176 PolarHBondContact O-N 3.13Å; A1176-A1178 PolarHBondContact O-N 3.47Å; A1176-Q1182 PolarHBondContact O-OE1 3.45Å |
| 1177 | A | 53.2 | Low | 71.3 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 17% | 0.174 | 39% | 0.394 | C | S | . | . | trans | -79.3 | 45.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1167 | K1167-A1177 HydrophobicContact CG-CB 4.3Š| ||
| 1178 | A | 62 | Low | 71.9 | Confident | 85 Ų | 85 | 59.9 Ų | 59.9 | 70% | 0.702 | 37% | 0.37 | S | S | * | . | trans | -93.9 | -20.8 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1176 | A1176-A1178 PolarHBondContact O-N 3.47Š| ||
| 1179 | S | 76.8 | Confident | 72.6 | Confident | 38 Ų | 38 | 54.2 Ų | 54.2 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | trans | -133.3 | 147.4 | 178.9 | 80.9 | 0 | 0 | 0 | 0 | 113.5 | E1181 Q1182 A1183 | S1179-E1181 VanDerWaalsContact C-N 3.28Å; S1179-E1181 PolarHBondContact O-N 2.88Å; S1179-Q1182 PolarHBondContact O-N 3.24Å; S1179-Q1182 WeakPolarHBondContact OG-CG 3.38Å; S1179-A1183 PolarHBondContact O-N 3.3Å | ||
| 1180 | S | 79.1 | Confident | 73.4 | Confident | 58 Ų | 58 | 53.9 Ų | 53.9 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.5 | -36.9 | 178.8 | 177.1 | 0 | 0 | 0 | 0 | 112.3 | Q1182 A1183 I1184 | S1180-Q1182 PolarHBondContact O-N 2.95Å; S1180-A1183 PolarHBondContact O-N 3.43Å; S1180-I1184 WeakPolarHBondContact O-CB 3.39Å; S1180-I1184 VanDerWaalsContact O-CG1 3.26Å; S1180-I1184 WeakPolarHBondContact O-CG1 3.47Å; S1180-I1184 PolarHBondContact O-N 3.48Å; S1180-I1184 WeakPolarHBondContact OG-CD1 3.5Å |
| 1181 | E | 81.8 | Confident | 74.6 | Confident | 105 Ų | 105 | 49.5 Ų | 49.5 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 179.9 | -58.8 | 177.5 | 151.9 | 0 | 0 | 112.6 | S1179 I1184 A1185 A1386 A1389 | S1179-E1181 VanDerWaalsContact C-N 3.28Å; S1179-E1181 PolarHBondContact O-N 2.88Å; E1181-I1184 PolarHBondContact O-N 2.87Å; E1181-A1185 PolarHBondContact O-N 3.43Å; E1181-A1386 WeakPolarHBondContact OE1-CB 3.36Å; E1181-A1389 HydrophobicContact CG-CB 4.44Å |
| 1182 | Q | 81.4 | Confident | 75.7 | Confident | 105 Ų | 105 | 46.8 Ų | 46.8 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.1 | -33.8 | 178.3 | -70.2 | 175.7 | -0.9 | 0 | 0 | 112 | A1176 S1179 S1180 | A1176-Q1182 PolarHBondContact O-OE1 3.45Å; S1179-Q1182 PolarHBondContact O-N 3.24Å; S1179-Q1182 WeakPolarHBondContact OG-CG 3.38Å; S1180-Q1182 PolarHBondContact O-N 2.95Å |
| 1183 | A | 84.7 | Confident | 76.9 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.033 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.9 | -48.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1162 M1166 S1179 S1180 A1185 K1186 F1187 | E1162-A1183 HydrophobicContact CB-CB 3.94Å; M1166-A1183 HydrophobicContact CB-CB 4.32Å; M1166-A1183 HydrophobicContact CG-CB 3.72Å; S1179-A1183 PolarHBondContact O-N 3.3Å; S1180-A1183 PolarHBondContact O-N 3.43Å; A1183-A1185 PolarHBondContact O-N 2.97Å; A1183-K1186 PolarHBondContact O-N 3.22Å; A1183-F1187 WeakPolarHBondContact O-CD2 3.43Å |
| 1184 | I | 88.2 | Confident | 78.1 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.4 | -38.1 | 176.9 | -72.9 | 166.4 | 0 | 0 | 0 | 111.6 | E1162 S1180 E1181 K1186 F1187 Y1189 T1383 F1388 A1389 L1392 | E1162-I1184 HydrophobicContact CG-CG1 4.41Å; S1180-I1184 WeakPolarHBondContact O-CB 3.39Å; S1180-I1184 VanDerWaalsContact O-CG1 3.26Å; S1180-I1184 WeakPolarHBondContact O-CG1 3.47Å; S1180-I1184 PolarHBondContact O-N 3.48Å; S1180-I1184 WeakPolarHBondContact OG-CD1 3.5Å; E1181-I1184 PolarHBondContact O-N 2.87Å; I1184-K1186 PolarHBondContact O-N 2.72Å; I1184-K1186 VanDerWaalsContact O-N 3.13Å; I1184-F1187 PolarHBondContact O-N 3.07Å; I1184-F1187 VanDerWaalsContact O-N 3.1Å; I1184-Y1189 HydrophobicContact CG2-CE2 3.8Å; I1184-T1383 HydrophobicContact CG2-CG2 4.21Å; I1184-F1388 HydrophobicContact CG2-CD1 3.97Å; I1184-F1388 HydrophobicContact CG2-CE1 4.02Å; I1184-A1389 HydrophobicContact CD1-CB 3.43Å; I1184-A1389 VanDerWaalsContact CD1-CB 3.43Å; I1184-L1392 HydrophobicContact CD1-CD1 4.18Å |
| 1185 | A | 84.6 | Confident | 79.6 | Confident | 51 Ų | 51 | 42.3 Ų | 42.3 | 42% | 0.421 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1181 A1183 | E1181-A1185 PolarHBondContact O-N 3.43Å; A1183-A1185 PolarHBondContact O-N 2.97Å |
| 1186 | K | 84.9 | Confident | 81.5 | Confident | 42 Ų | 42 | 39.2 Ų | 39.2 | 18% | 0.183 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -11.3 | 177 | -67.2 | -55.1 | -170.7 | -170.3 | 0 | 114.7 | M1166 A1183 I1184 L1201 I1728 | M1166-K1186 HydrophobicContact CE-CG 4.13Å; M1166-K1186 HydrophobicContact SD-CB 4.1Å; M1166-K1186 HydrophobicContact SD-CG 4.29Å; A1183-K1186 PolarHBondContact O-N 3.22Å; I1184-K1186 PolarHBondContact O-N 2.72Å; I1184-K1186 VanDerWaalsContact O-N 3.13Å; K1186-L1201 HydrophobicContact CB-CD1 4.31Å; K1186-I1728 PolarHBondContact NZ-O 2.93Å; K1186-I1728 PolarHBondContact NZ-OXT 2.8Å |
| 1187 | F | 89.9 | Confident | 83.6 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 2% | 0.022 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -98.6 | 136.4 | 177.5 | -72 | -111.6 | 0 | 0 | 0 | 110.9 | E1162 L1165 M1166 A1183 I1184 Y1189 A1199 L1200 L1201 L1218 | E1162-F1187 HydrophobicContact CB-CD2 4.3Å; E1162-F1187 HydrophobicContact CB-CE2 3.88Å; E1162-F1187 HydrophobicContact CB-CZ 4.29Å; E1162-F1187 HydrophobicContact CG-CD1 4.38Å; E1162-F1187 HydrophobicContact CG-CD2 3.8Å; E1162-F1187 HydrophobicContact CG-CE1 4.3Å; E1162-F1187 HydrophobicContact CG-CE2 3.73Å; E1162-F1187 HydrophobicContact CG-CG 4.14Å; E1162-F1187 HydrophobicContact CG-CZ 3.98Å; L1165-F1187 HydrophobicContact CB-CZ 4.23Å; L1165-F1187 HydrophobicContact CD1-CE1 4.1Å; L1165-F1187 HydrophobicContact CD1-CZ 3.84Å; M1166-F1187 HydrophobicContact CG-CE2 4.43Å; A1183-F1187 WeakPolarHBondContact O-CD2 3.43Å; I1184-F1187 PolarHBondContact O-N 3.07Å; I1184-F1187 VanDerWaalsContact O-N 3.1Å; F1187-Y1189 HydrophobicContact CB-CD2 4.14Å; F1187-Y1189 HydrophobicContact CB-CE2 3.52Å; F1187-Y1189 VanDerWaalsContact O-CD2 3.31Å; F1187-Y1189 WeakPolarHBondContact O-CD2 3.42Å; F1187-A1199 HydrophobicContact CB-CB 4.15Å; F1187-A1199 HydrophobicContact CD1-CB 3.79Å; F1187-A1199 HydrophobicContact CG-CB 4.36Å; F1187-L1200 WeakPolarHBondContact CA-O 3.39Å; F1187-L1201 HydrophobicContact CD1-CB 3.84Å; F1187-L1201 HydrophobicContact CD2-CD1 4.45Å; F1187-L1201 HydrophobicContact CE1-CB 3.62Å; F1187-L1201 HydrophobicContact CE1-CD2 4.33Å; F1187-L1201 HydrophobicContact CE1-CG 4.48Å; F1187-L1201 HydrophobicContact CE2-CB 4.41Å; F1187-L1201 HydrophobicContact CE2-CD1 4.26Å; F1187-L1201 HydrophobicContact CE2-CD2 4.28Å; F1187-L1201 HydrophobicContact CG-CB 4.35Å; F1187-L1201 HydrophobicContact CZ-CB 3.92Å; F1187-L1201 HydrophobicContact CZ-CD1 4.49Å; F1187-L1201 HydrophobicContact CZ-CD2 3.84Å; F1187-L1201 HydrophobicContact CZ-CG 4.3Å; F1187-L1218 HydrophobicContact CE1-CD1 3.97Å; F1187-L1218 HydrophobicContact CE1-CG 4.2Å; F1187-L1218 HydrophobicContact CZ-CD1 4.34Å |
| 1188 | K | 89.7 | Confident | 85.5 | Confident | 18 Ų | 18 | 36.8 Ų | 36.8 | 8% | 0.078 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 116.4 | 169.7 | -67.5 | 173.2 | 174.5 | 170.5 | 0 | 109 | F1190 L1200 E1202 Q1725 | K1188-F1190 HydrophobicContact CB-CE2 3.62Å; K1188-F1190 HydrophobicContact CB-CZ 4.14Å; K1188-L1200 HydrophobicContact CB-CB 4.46Å; K1188-L1200 PolarHBondContact N-O 3.12Å; K1188-L1200 PolarHBondContact O-N 2.73Å; K1188-E1202 IonicContact NZ-OE2 2.68Å; K1188-E1202 PolarHBondContact NZ-OE2 2.86Å; K1188-Q1725 VanDerWaalsContact CE-O 3.24Å; K1188-Q1725 WeakPolarHBondContact CE-O 3.41Å; K1188-Q1725 PolarHBondContact NZ-O 3.27Å |
| 1189 | Y | 92.7 | Very high | 87.1 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 2% | 0.02 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.3 | -176.6 | -70.9 | -101.2 | 0 | 0 | 0 | 112.8 | E1162 I1184 F1187 I1197 L1198 A1199 L1381 T1383 F1388 L1392 | E1162-Y1189 VanDerWaalsContact CD-OH 3.25Å; E1162-Y1189 VanDerWaalsContact CG-OH 3.31Å; E1162-Y1189 WeakPolarHBondContact CG-OH 3.48Å; E1162-Y1189 PolarHBondContact OE1-OH 3.04Å; I1184-Y1189 HydrophobicContact CG2-CE2 3.8Å; F1187-Y1189 HydrophobicContact CB-CD2 4.14Å; F1187-Y1189 HydrophobicContact CB-CE2 3.52Å; F1187-Y1189 VanDerWaalsContact O-CD2 3.31Å; F1187-Y1189 WeakPolarHBondContact O-CD2 3.42Å; Y1189-I1197 HydrophobicContact CD1-CG2 4.01Å; Y1189-L1198 WeakPolarHBondContact CA-O 3.49Å; Y1189-A1199 HydrophobicContact CD1-CB 3.64Å; Y1189-A1199 HydrophobicContact CE1-CB 3.38Å; Y1189-A1199 HydrophobicContact CE2-CB 4.39Å; Y1189-A1199 HydrophobicContact CG-CB 4.25Å; Y1189-L1381 PolarHBondContact O-N 3.29Å; Y1189-L1381 VanDerWaalsContact O-N 3.15Å; Y1189-T1383 HydrophobicContact CD2-CG2 3.35Å; Y1189-T1383 HydrophobicContact CE2-CG2 3.9Å; Y1189-T1383 HydrophobicContact CG-CG2 4.08Å; Y1189-F1388 HydrophobicContact CD1-CE1 4.05Å; Y1189-F1388 AromaticContact CD1-CZ 3.75Å; Y1189-F1388 HydrophobicContact CD1-CZ 3.75Å; Y1189-F1388 HydrophobicContact CD2-CE1 4.16Å; Y1189-F1388 HydrophobicContact CD2-CZ 4.48Å; Y1189-F1388 HydrophobicContact CE1-CE1 4.05Å; Y1189-F1388 HydrophobicContact CE1-CZ 4.07Å; Y1189-F1388 HydrophobicContact CE2-CE1 4.13Å; Y1189-F1388 HydrophobicContact CG-CE1 4.1Å; Y1189-F1388 AromaticContact CG-CZ 3.97Å; Y1189-F1388 HydrophobicContact CG-CZ 3.97Å; Y1189-L1392 HydrophobicContact CE1-CD1 3.91Å |
| 1190 | F | 92 | Very high | 87.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 163.6 | 174.5 | -52.4 | -95.2 | 0 | 0 | 0 | 110.6 | K1188 I1197 L1198 L1200 L1350 L1378 I1379 V1380 L1723 | K1188-F1190 HydrophobicContact CB-CE2 3.62Å; K1188-F1190 HydrophobicContact CB-CZ 4.14Å; F1190-I1197 CarbonylContact O-C 3.37Å; F1190-I1197 WeakPolarHBondContact O-CA 3.48Å; F1190-I1197 WeakPolarHBondContact O-CG2 3.4Å; F1190-L1198 PolarHBondContact N-O 2.76Å; F1190-L1198 PolarHBondContact O-N 3.17Å; F1190-L1200 HydrophobicContact CD2-CD1 3.65Å; F1190-L1200 HydrophobicContact CE2-CD1 3.62Å; F1190-L1350 HydrophobicContact CE1-CD1 4.47Å; F1190-L1350 HydrophobicContact CE2-CD1 4.22Å; F1190-L1350 HydrophobicContact CZ-CD1 4.14Å; F1190-L1378 HydrophobicContact CB-CD1 3.59Å; F1190-L1378 HydrophobicContact CB-CD2 4.35Å; F1190-L1378 HydrophobicContact CB-CG 3.82Å; F1190-L1378 HydrophobicContact CD1-CD1 4.29Å; F1190-L1378 HydrophobicContact CD1-CD2 3.44Å; F1190-L1378 VanDerWaalsContact CD1-CD2 3.44Å; F1190-L1378 HydrophobicContact CD1-CG 3.65Å; F1190-L1378 HydrophobicContact CE1-CD2 3.87Å; F1190-L1378 HydrophobicContact CG-CD1 4.1Å; F1190-L1378 HydrophobicContact CG-CD2 3.97Å; F1190-L1378 HydrophobicContact CG-CG 3.98Å; F1190-I1379 CarbonylContact C-O 3.58Å; F1190-I1379 WeakPolarHBondContact CA-O 3.41Å; F1190-V1380 HydrophobicContact CD1-CG2 3.76Å; F1190-V1380 HydrophobicContact CE1-CG2 3.72Å; F1190-L1723 HydrophobicContact CE1-CD2 3.92Å; F1190-L1723 HydrophobicContact CZ-CD2 3.58Å |
| 1191 | V | 91.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138.2 | 169.1 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | T1196 I1197 L1378 I1379 L1381 V1703 V1707 | V1191-T1196 WeakPolarHBondContact CA-O 3.39Å; V1191-T1196 WeakPolarHBondContact CG1-O 3.49Å; V1191-I1197 HydrophobicContact CG2-CB 4.41Å; V1191-I1197 HydrophobicContact CG2-CG1 4.04Å; V1191-I1197 HydrophobicContact CG2-CG2 4.33Å; V1191-L1378 WeakPolarHBondContact O-CA 3.34Å; V1191-I1379 PolarHBondContact N-O 3.07Å; V1191-I1379 PolarHBondContact O-N 2.95Å; V1191-L1381 HydrophobicContact CG2-CD1 3.67Å; V1191-L1381 HydrophobicContact CG2-CD2 3.89Å; V1191-L1381 HydrophobicContact CG2-CG 3.87Å; V1191-V1703 HydrophobicContact CG1-CG1 4.33Å; V1191-V1707 HydrophobicContact CB-CG2 4.02Å; V1191-V1707 HydrophobicContact CG1-CG2 3.67Å; V1191-V1707 HydrophobicContact CG2-CG2 3.8Å |
| 1192 | T | 87.5 | Confident | 88.3 | Confident | 19 Ų | 19 | 26 Ų | 26 | 12% | 0.117 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 153.4 | 169.3 | -164 | 0 | 0 | 0 | 0 | 110.6 | N1194 S1195 T1196 L1198 F1355 P1377 | T1192-N1194 PolarHBondContact O-N 2.75Å; T1192-S1195 PolarHBondContact O-N 2.72Å; T1192-T1196 PolarHBondContact N-O 2.79Å; T1192-T1196 PolarHBondContact O-N 2.71Å; T1192-L1198 HydrophobicContact CG2-CD1 4.4Å; T1192-F1355 HydrophobicContact CG2-CE1 4.05Å; T1192-F1355 HydrophobicContact CG2-CZ 4.48Å; T1192-F1355 WeakPolarHBondContact OG1-CE1 3.36Å; T1192-P1377 WeakPolarHBondContact CB-O 3.34Å; T1192-P1377 PolarHBondContact OG1-O 2.61Å |
| 1193 | E | 79.1 | Confident | 88.1 | Confident | 145 Ų | 145 | 23.2 Ų | 23.2 | 68% | 0.678 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50 | 13.9 | -177.4 | -57.1 | -167 | 146.4 | 0 | 0 | 117 | S1195 | E1193-S1195 PolarHBondContact O-N 3.47Š|
| 1194 | N | 82.5 | Confident | 87.5 | Confident | 41 Ų | 41 | 26.2 Ų | 26.2 | 22% | 0.219 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 30.9 | -166.1 | -62 | -70 | 0 | 0 | 0 | 113 | T1192 Q1375 I1379 Q1704 | T1192-N1194 PolarHBondContact O-N 2.75Å; N1194-Q1375 PolarHBondContact ND2-OE1 2.86Å; N1194-I1379 WeakPolarHBondContact OD1-CD1 3.07Å; N1194-Q1704 WeakPolarHBondContact O-CG 3.29Å; N1194-Q1704 PolarHBondContact O-NE2 3.49Å |
| 1195 | S | 87.5 | Confident | 86.9 | Confident | 13 Ų | 13 | 27.6 Ų | 27.6 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.8 | -30.1 | -173.7 | 77 | 0 | 0 | 0 | 0 | 113.6 | T1192 E1193 | T1192-S1195 PolarHBondContact O-N 2.72Å; E1193-S1195 PolarHBondContact O-N 3.47Å |
| 1196 | T | 92.1 | Very high | 86 | Confident | 26 Ų | 26 | 27.1 Ų | 27.1 | 16% | 0.16 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 123.8 | -167.6 | -59 | 0 | 0 | 0 | 0 | 111.2 | V1191 T1192 L1198 I1219 R1220 | V1191-T1196 WeakPolarHBondContact CA-O 3.39Å; V1191-T1196 WeakPolarHBondContact CG1-O 3.49Å; T1192-T1196 PolarHBondContact N-O 2.79Å; T1192-T1196 PolarHBondContact O-N 2.71Å; T1196-L1198 HydrophobicContact CG2-CD2 4.33Å; T1196-I1219 HydrophobicContact CG2-CG2 3.62Å; T1196-R1220 WeakPolarHBondContact CA-O 3.19Å |
| 1197 | I | 95 | Very high | 84.8 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 132.3 | 175.9 | -46.4 | 179.5 | 0 | 0 | 0 | 108.9 | Y1189 F1190 V1191 R1220 L1381 L1395 V1703 I1706 | Y1189-I1197 HydrophobicContact CD1-CG2 4.01Å; F1190-I1197 CarbonylContact O-C 3.37Å; F1190-I1197 WeakPolarHBondContact O-CA 3.48Å; F1190-I1197 WeakPolarHBondContact O-CG2 3.4Å; V1191-I1197 HydrophobicContact CG2-CB 4.41Å; V1191-I1197 HydrophobicContact CG2-CG1 4.04Å; V1191-I1197 HydrophobicContact CG2-CG2 4.33Å; I1197-R1220 HydrophobicContact CB-CB 4.29Å; I1197-R1220 PolarHBondContact N-O 3.46Å; I1197-R1220 PolarHBondContact O-N 3.01Å; I1197-L1381 HydrophobicContact CG2-CD1 4.16Å; I1197-L1395 HydrophobicContact CD1-CD2 3.89Å; I1197-V1703 HydrophobicContact CD1-CG1 4.23Å; I1197-V1703 HydrophobicContact CD1-CG2 4.19Å; I1197-V1703 HydrophobicContact CG1-CG1 3.72Å; I1197-V1703 HydrophobicContact CG1-CG2 4.13Å; I1197-I1706 HydrophobicContact CD1-CD1 4.19Å; I1197-I1706 HydrophobicContact CD1-CG2 4.02Å |
| 1198 | L | 93.6 | Very high | 83.1 | Confident | 7 Ų | 7 | 33.9 Ų | 33.9 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 116.7 | 175.2 | -57.8 | 175.4 | 0 | 0 | 0 | 108.6 | Y1189 F1190 T1192 T1196 I1219 F1355 L1378 | Y1189-L1198 WeakPolarHBondContact CA-O 3.49Å; F1190-L1198 PolarHBondContact N-O 2.76Å; F1190-L1198 PolarHBondContact O-N 3.17Å; T1192-L1198 HydrophobicContact CG2-CD1 4.4Å; T1196-L1198 HydrophobicContact CG2-CD2 4.33Å; L1198-I1219 HydrophobicContact CD2-CB 4.32Å; L1198-I1219 HydrophobicContact CD2-CD1 4.47Å; L1198-I1219 HydrophobicContact CD2-CG1 3.88Å; L1198-I1219 HydrophobicContact CD2-CG2 3.99Å; L1198-F1355 HydrophobicContact CD1-CE2 4.35Å; L1198-F1355 HydrophobicContact CD1-CZ 4.31Å; L1198-L1378 HydrophobicContact CD1-CD1 4.45Å |
| 1199 | A | 93.8 | Very high | 81.6 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 120.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | F1187 Y1189 L1217 L1218 | F1187-A1199 HydrophobicContact CB-CB 4.15Å; F1187-A1199 HydrophobicContact CD1-CB 3.79Å; F1187-A1199 HydrophobicContact CG-CB 4.36Å; Y1189-A1199 HydrophobicContact CD1-CB 3.64Å; Y1189-A1199 HydrophobicContact CE1-CB 3.38Å; Y1189-A1199 HydrophobicContact CE2-CB 4.39Å; Y1189-A1199 HydrophobicContact CG-CB 4.25Å; A1199-L1217 WeakPolarHBondContact O-CA 3.38Å; A1199-L1218 HydrophobicContact CB-CB 4.21Å; A1199-L1218 PolarHBondContact N-O 2.93Å; A1199-L1218 PolarHBondContact O-N 3.09Å |
| 1200 | L | 91.6 | Very high | 80.2 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 124.4 | -174.4 | -76.6 | 144.9 | 0 | 0 | 0 | 111.2 | F1187 K1188 F1190 V1215 L1217 A1346 F1349 L1350 | F1187-L1200 WeakPolarHBondContact CA-O 3.39Å; K1188-L1200 HydrophobicContact CB-CB 4.46Å; K1188-L1200 PolarHBondContact N-O 3.12Å; K1188-L1200 PolarHBondContact O-N 2.73Å; F1190-L1200 HydrophobicContact CD2-CD1 3.65Å; F1190-L1200 HydrophobicContact CE2-CD1 3.62Å; L1200-V1215 HydrophobicContact CD2-CG2 3.52Å; L1200-L1217 HydrophobicContact CD2-CD1 4.36Å; L1200-L1217 HydrophobicContact CD2-CD2 3.73Å; L1200-L1217 HydrophobicContact CD2-CG 3.7Å; L1200-L1217 HydrophobicContact CG-CD2 4.41Å; L1200-L1217 HydrophobicContact CG-CG 4.43Å; L1200-A1346 HydrophobicContact CB-CB 4.05Å; L1200-A1346 HydrophobicContact CD1-CB 4.31Å; L1200-A1346 HydrophobicContact CD2-CB 3.94Å; L1200-A1346 HydrophobicContact CG-CB 4.33Å; L1200-F1349 HydrophobicContact CD2-CD1 3.89Å; L1200-F1349 HydrophobicContact CD2-CE1 4.43Å; L1200-F1349 HydrophobicContact CD2-CG 4.45Å; L1200-L1350 HydrophobicContact CD1-CD1 4.1Å; L1200-L1350 HydrophobicContact CD1-CD2 4.17Å; L1200-L1350 HydrophobicContact CD1-CG 4.18Å |
| 1201 | L | 88.8 | Confident | 78.7 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.1 | 173.5 | 177.2 | 69.4 | 0 | 0 | 0 | 109.5 | K1186 F1187 E1203 L1205 T1216 | K1186-L1201 HydrophobicContact CB-CD1 4.31Å; F1187-L1201 HydrophobicContact CD1-CB 3.84Å; F1187-L1201 HydrophobicContact CD2-CD1 4.45Å; F1187-L1201 HydrophobicContact CE1-CB 3.62Å; F1187-L1201 HydrophobicContact CE1-CD2 4.33Å; F1187-L1201 HydrophobicContact CE1-CG 4.48Å; F1187-L1201 HydrophobicContact CE2-CB 4.41Å; F1187-L1201 HydrophobicContact CE2-CD1 4.26Å; F1187-L1201 HydrophobicContact CE2-CD2 4.28Å; F1187-L1201 HydrophobicContact CG-CB 4.35Å; F1187-L1201 HydrophobicContact CZ-CB 3.92Å; F1187-L1201 HydrophobicContact CZ-CD1 4.49Å; F1187-L1201 HydrophobicContact CZ-CD2 3.84Å; F1187-L1201 HydrophobicContact CZ-CG 4.3Å; L1201-E1203 HydrophobicContact CD1-CB 4.03Å; L1201-E1203 HydrophobicContact CD1-CG 4.2Å; L1201-E1203 HydrophobicContact CG-CB 4.29Å; L1201-L1205 HydrophobicContact CD2-CD2 4.32Å; L1201-T1216 PolarHBondContact N-O 3.05Å; L1201-T1216 PolarHBondContact O-N 3.42Å |
| 1202 | E | 82.6 | Confident | 77.8 | Confident | 55 Ų | 55 | 51 Ų | 51 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | trans | -98.3 | 4.4 | -179.7 | -58.2 | -173.6 | 101 | 0 | 0 | 112.7 | K1188 H1344 A1345 A1346 | K1188-E1202 IonicContact NZ-OE2 2.68Å; K1188-E1202 PolarHBondContact NZ-OE2 2.86Å; E1202-H1344 VanDerWaalsContact OE1-CA 3.3Å; E1202-H1344 WeakPolarHBondContact OE1-CA 3.25Å; E1202-A1345 PolarHBondContact OE1-N 2.95Å; E1202-A1346 VanDerWaalsContact CD-CB 3.47Å; E1202-A1346 HydrophobicContact CG-CB 3.68Å; E1202-A1346 VanDerWaalsContact OE1-CB 3.29Å; E1202-A1346 WeakPolarHBondContact OE1-CB 3.41Å; E1202-A1346 PolarHBondContact OE1-N 3.18Å | ||
| 1203 | E | 77.6 | Confident | 77.3 | Confident | 48 Ų | 48 | 51.2 Ų | 51.2 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -89.6 | 144 | 177.6 | -62.6 | -169.7 | -172.6 | 0 | 0 | 112.7 | S1171 L1201 | S1171-E1203 VanDerWaalsContact CB-OE2 3.24Å; S1171-E1203 WeakPolarHBondContact CB-OE2 3.5Å; S1171-E1203 PolarHBondContact OG-OE2 3.05Å; L1201-E1203 HydrophobicContact CD1-CB 4.03Å; L1201-E1203 HydrophobicContact CD1-CG 4.2Å; L1201-E1203 HydrophobicContact CG-CB 4.29Å |
| 1204 | P | 73.3 | Confident | 77.4 | Confident | 66 Ų | 66 | 45 Ų | 45 | 43% | 0.429 | 25% | 0.251 | S | S | . | . | trans | -81.4 | 128.2 | -178.2 | 31.6 | -34.3 | 0 | 0 | 0 | 113.2 | G1206 | P1204-G1206 PolarHBondContact O-N 3.3Å; P1204-G1206 VanDerWaalsContact O-N 3.13Å | ||
| 1205 | L | 75.6 | Confident | 77.6 | Confident | 34 Ų | 34 | 43.3 Ų | 43.3 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -84.4 | 71.5 | 175.1 | -58.1 | 171.5 | 0 | 0 | 0 | 111.2 | L1165 H1168 C1169 L1201 N1207 T1216 | L1165-L1205 HydrophobicContact CD2-CD1 3.9Å; L1165-L1205 WeakPolarHBondContact O-CD2 3.36Å; H1168-L1205 HydrophobicContact CB-CD2 4.26Å; H1168-L1205 WeakPolarHBondContact O-CA 3.49Å; C1169-L1205 VanDerWaalsContact SG-CD2 3.58Å; L1201-L1205 HydrophobicContact CD2-CD2 4.32Å; L1205-N1207 PolarHBondContact O-N 3.49Å; L1205-T1216 HydrophobicContact CD1-CG2 4.03Å |
| 1206 | G | 64.7 | Low | 77.7 | Confident | 41 Ų | 41 | 42.8 Ų | 42.8 | 42% | 0.423 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 77.1 | 4.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | P1204 D1208 | P1204-G1206 PolarHBondContact O-N 3.3Å; P1204-G1206 VanDerWaalsContact O-N 3.13Å; G1206-D1208 PolarHBondContact O-N 2.81Å |
| 1207 | N | 59.9 | Low | 77.7 | Confident | 78 Ų | 78 | 41.6 Ų | 41.6 | 42% | 0.417 | 23% | 0.231 | S | C | . | . | trans | -82 | 41.8 | -175 | -75.1 | -63.5 | 0 | 0 | 0 | 114.5 | L1205 Q1209 D1210 | L1205-N1207 PolarHBondContact O-N 3.49Å; N1207-Q1209 PolarHBondContact O-N 3.49Å; N1207-D1210 PolarHBondContact O-N 2.91Å | ||
| 1208 | D | 55.2 | Low | 77.7 | Confident | 112 Ų | 112 | 41.6 Ų | 41.6 | 60% | 0.599 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -10.6 | -170.5 | -56.1 | -38 | 0 | 0 | 0 | 115.3 | N1170 G1206 | N1170-D1208 PolarHBondContact ND2-OD1 2.86Å; N1170-D1208 PolarHBondContact ND2-OD2 2.82Å; G1206-D1208 PolarHBondContact O-N 2.81Å |
| 1209 | Q | 57.4 | Low | 77.7 | Confident | 195 Ų | 195 | 42.4 Ų | 42.4 | 91% | 0.911 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -21.3 | -176.4 | -62.7 | -69.2 | -49.4 | 0 | 0 | 113.9 | N1207 | N1207-Q1209 PolarHBondContact O-N 3.49Š|
| 1210 | D | 62.7 | Low | 77.7 | Confident | 84 Ų | 84 | 42.6 Ų | 42.6 | 45% | 0.449 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -156 | 110.7 | 175.3 | -173.4 | 21.3 | 0 | 0 | 0 | 110.6 | N1207 Q1212 | N1207-D1210 PolarHBondContact O-N 2.91Å; D1210-Q1212 VanDerWaalsContact C-N 3.27Å; D1210-Q1212 PolarHBondContact O-N 3.39Å; D1210-Q1212 WeakPolarHBondContact OD2-CG 3.44Å; D1210-Q1212 PolarHBondContact OD2-NE2 2.73Å |
| 1211 | P | 61.8 | Low | 77.7 | Confident | 68 Ų | 68 | 42.9 Ų | 42.9 | 44% | 0.442 | 24% | 0.239 | S | C | . | . | trans | -76.4 | 71.7 | -171.6 | 31.7 | -36.3 | 0 | 0 | 0 | 112.6 | ||||
| 1212 | Q | 71.3 | Confident | 77.6 | Confident | 34 Ų | 34 | 43.3 Ų | 43.3 | 16% | 0.159 | 24% | 0.242 | C | C | . | . | trans | -83.9 | 147.1 | 177.3 | -62.4 | -177 | -2.5 | 0 | 0 | 112.1 | D1210 T1214 R1233 | D1210-Q1212 VanDerWaalsContact C-N 3.27Å; D1210-Q1212 PolarHBondContact O-N 3.39Å; D1210-Q1212 WeakPolarHBondContact OD2-CG 3.44Å; D1210-Q1212 PolarHBondContact OD2-NE2 2.73Å; Q1212-T1214 PolarHBondContact O-N 3.2Å; Q1212-T1214 PolarHBondContact O-OG1 3.46Å; Q1212-R1233 VanDerWaalsContact OE1-NH2 3.14Å | ||
| 1213 | P | 77.1 | Confident | 77.8 | Confident | 25 Ų | 25 | 42.6 Ų | 42.6 | 16% | 0.162 | 24% | 0.238 | C | C | . | . | trans | -57.8 | 109.1 | 172.3 | -16.4 | 27.3 | 0 | 0 | 0 | 109.9 | Q1231 L1232 F1343 | P1213-Q1231 WeakPolarHBondContact O-CA 3.29Å; P1213-L1232 HydrophobicContact CB-CB 3.96Å; P1213-L1232 HydrophobicContact CG-CB 4.06Å; P1213-L1232 HydrophobicContact CG-CD2 4.27Å; P1213-L1232 PolarHBondContact O-N 2.94Å; P1213-F1343 HydrophobicContact CB-CB 3.93Å; P1213-F1343 HydrophobicContact CB-CD1 4.12Å; P1213-F1343 HydrophobicContact CB-CD2 3.97Å; P1213-F1343 HydrophobicContact CB-CG 3.75Å; P1213-F1343 HydrophobicContact CG-CB 4.44Å; P1213-F1343 HydrophobicContact CG-CD1 3.73Å; P1213-F1343 HydrophobicContact CG-CD2 3.77Å; P1213-F1343 HydrophobicContact CG-CE1 3.79Å; P1213-F1343 HydrophobicContact CG-CE2 3.82Å; P1213-F1343 HydrophobicContact CG-CG 3.72Å; P1213-F1343 HydrophobicContact CG-CZ 3.83Å | ||
| 1214 | T | 80.9 | Confident | 78.4 | Confident | 14 Ų | 14 | 40.3 Ų | 40.3 | 9% | 0.086 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 139.1 | -172.6 | -58.2 | 0 | 0 | 0 | 0 | 109.3 | Q1212 T1229 M1230 Q1231 A1345 | Q1212-T1214 PolarHBondContact O-N 3.2Å; Q1212-T1214 PolarHBondContact O-OG1 3.46Å; T1214-T1229 HydrophobicContact CG2-CG2 3.77Å; T1214-M1230 WeakPolarHBondContact CA-O 3.36Å; T1214-Q1231 HydrophobicContact CG2-CG 4.12Å; T1214-A1345 WeakPolarHBondContact O-CB 3.46Å |
| 1215 | V | 87.6 | Confident | 79.2 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 134.8 | 172.1 | 59.5 | 0 | 0 | 0 | 0 | 109.6 | L1200 L1217 M1230 A1345 A1346 F1349 | L1200-V1215 HydrophobicContact CD2-CG2 3.52Å; V1215-L1217 HydrophobicContact CG1-CD1 4.11Å; V1215-L1217 HydrophobicContact CG2-CD1 4.27Å; V1215-M1230 HydrophobicContact CG1-CB 4.05Å; V1215-M1230 PolarHBondContact N-O 2.89Å; V1215-M1230 PolarHBondContact O-N 3.17Å; V1215-A1345 HydrophobicContact CB-CB 3.85Å; V1215-A1345 HydrophobicContact CG1-CB 4.36Å; V1215-A1346 HydrophobicContact CG2-CB 4.3Å; V1215-F1349 HydrophobicContact CG1-CB 4.26Å |
| 1216 | T | 90.2 | Very high | 79.9 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 136.2 | 174.6 | -54.6 | 0 | 0 | 0 | 0 | 109.3 | L1165 L1201 L1205 W1228 | L1165-T1216 HydrophobicContact CD1-CG2 3.87Å; L1165-T1216 HydrophobicContact CD2-CG2 4.46Å; L1201-T1216 PolarHBondContact N-O 3.05Å; L1201-T1216 PolarHBondContact O-N 3.42Å; L1205-T1216 HydrophobicContact CD1-CG2 4.03Å; T1216-W1228 CarbonylContact C-O 3.59Å; T1216-W1228 WeakPolarHBondContact CA-O 2.98Å |
| 1217 | L | 92.1 | Very high | 81.1 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.8 | -177.6 | -64.1 | 92.7 | 0 | 0 | 0 | 110.6 | A1199 L1200 V1215 I1219 A1227 W1228 M1230 F1349 | A1199-L1217 WeakPolarHBondContact O-CA 3.38Å; L1200-L1217 HydrophobicContact CD2-CD1 4.36Å; L1200-L1217 HydrophobicContact CD2-CD2 3.73Å; L1200-L1217 HydrophobicContact CD2-CG 3.7Å; L1200-L1217 HydrophobicContact CG-CD2 4.41Å; L1200-L1217 HydrophobicContact CG-CG 4.43Å; V1215-L1217 HydrophobicContact CG1-CD1 4.11Å; V1215-L1217 HydrophobicContact CG2-CD1 4.27Å; L1217-I1219 HydrophobicContact CB-CG1 4.28Å; L1217-A1227 WeakPolarHBondContact O-CA 3.47Å; L1217-W1228 PolarHBondContact N-O 3.49Å; L1217-W1228 PolarHBondContact O-N 3.45Å; L1217-M1230 HydrophobicContact CD1-CG 4.07Å; L1217-M1230 HydrophobicContact CD1-SD 4.1Å; L1217-F1349 HydrophobicContact CD2-CD1 3.98Å; L1217-F1349 HydrophobicContact CD2-CD2 4.2Å; L1217-F1349 HydrophobicContact CD2-CE1 3.52Å; L1217-F1349 HydrophobicContact CD2-CE2 3.73Å; L1217-F1349 HydrophobicContact CD2-CG 4.33Å; L1217-F1349 HydrophobicContact CD2-CZ 3.39Å |
| 1218 | L | 93.8 | Very high | 82.5 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 114.6 | 157.7 | -63.5 | 173.8 | 0 | 0 | 0 | 108.6 | E1162 L1165 F1187 A1199 H1226 A1227 | E1162-L1218 VanDerWaalsContact CD-CD1 3.47Å; E1162-L1218 HydrophobicContact CG-CD1 3.83Å; L1165-L1218 HydrophobicContact CD1-CD1 4.05Å; L1165-L1218 HydrophobicContact CD1-CD2 3.87Å; L1165-L1218 HydrophobicContact CD1-CG 3.91Å; F1187-L1218 HydrophobicContact CE1-CD1 3.97Å; F1187-L1218 HydrophobicContact CE1-CG 4.2Å; F1187-L1218 HydrophobicContact CZ-CD1 4.34Å; A1199-L1218 HydrophobicContact CB-CB 4.21Å; A1199-L1218 PolarHBondContact N-O 2.93Å; A1199-L1218 PolarHBondContact O-N 3.09Å; L1218-H1226 WeakPolarHBondContact CA-O 3.47Å; L1218-A1227 HydrophobicContact CD2-CB 3.73Å |
| 1219 | I | 93.4 | Very high | 84.1 | Confident | 24 Ų | 24 | 39.3 Ų | 39.3 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 111.5 | 179.8 | -54.7 | 178.9 | 0 | 0 | 0 | 107.5 | T1196 L1198 L1217 R1225 H1226 W1228 | T1196-I1219 HydrophobicContact CG2-CG2 3.62Å; L1198-I1219 HydrophobicContact CD2-CB 4.32Å; L1198-I1219 HydrophobicContact CD2-CD1 4.47Å; L1198-I1219 HydrophobicContact CD2-CG1 3.88Å; L1198-I1219 HydrophobicContact CD2-CG2 3.99Å; L1217-I1219 HydrophobicContact CB-CG1 4.28Å; I1219-R1225 CarbonylContact O-C 3.6Å; I1219-R1225 VanDerWaalsContact O-CA 3.29Å; I1219-R1225 WeakPolarHBondContact O-CA 3.32Å; I1219-H1226 HydrophobicContact CB-CB 4.46Å; I1219-H1226 PolarHBondContact N-O 2.93Å; I1219-H1226 PolarHBondContact O-N 3.09Å; I1219-W1228 HydrophobicContact CD1-CD2 3.88Å; I1219-W1228 HydrophobicContact CD1-CE3 3.64Å; I1219-W1228 HydrophobicContact CD1-CH2 4.27Å; I1219-W1228 HydrophobicContact CD1-CZ2 4.48Å; I1219-W1228 HydrophobicContact CD1-CZ3 3.85Å |
| 1220 | R | 94.1 | Very high | 85.4 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 2% | 0.019 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 105.9 | 175.9 | -71.9 | -179.7 | 174.5 | 94.6 | -10.6 | 109.9 | E1162 T1196 I1197 R1225 L1395 D1396 | E1162-R1220 IonicContact OE1-CZ 3.93Å; E1162-R1220 IonicContact OE1-NH1 3.42Å; E1162-R1220 PolarHBondContact OE1-NH1 2.92Å; E1162-R1220 IonicContact OE1-NH2 3.87Å; E1162-R1220 PolarHBondContact OE1-NH2 2.96Å; E1162-R1220 IonicContact OE2-CZ 2.72Å; E1162-R1220 IonicContact OE2-NH1 3.91Å; E1162-R1220 PolarHBondContact OE2-NH1 3.06Å; E1162-R1220 IonicContact OE2-NH2 3.61Å; E1162-R1220 PolarHBondContact OE2-NH2 3.34Å; T1196-R1220 WeakPolarHBondContact CA-O 3.19Å; I1197-R1220 HydrophobicContact CB-CB 4.29Å; I1197-R1220 PolarHBondContact N-O 3.46Å; I1197-R1220 PolarHBondContact O-N 3.01Å; R1220-R1225 HydrophobicContact CG-CB 4.17Å; R1220-R1225 HydrophobicContact CG-CG 3.83Å; R1220-L1395 HydrophobicContact CB-CD2 4.27Å; R1220-D1396 WeakPolarHBondContact CD-OD1 3.29Å; R1220-D1396 IonicContact CZ-OD2 3.92Å; R1220-D1396 VanDerWaalsContact CZ-OD2 3.23Å; R1220-D1396 VanDerWaalsContact NE-CG 3.25Å; R1220-D1396 IonicContact NE-OD1 3.31Å; R1220-D1396 PolarHBondContact NE-OD1 3.14Å; R1220-D1396 IonicContact NE-OD2 3.52Å; R1220-D1396 PolarHBondContact NE-OD2 3.45Å; R1220-D1396 IonicContact NH2-OD2 3.33Å; R1220-D1396 PolarHBondContact NH2-OD2 3.42Å |
| 1221 | G | 90.8 | Very high | 86.2 | Confident | 7 Ų | 7 | 31 Ų | 31 | 7% | 0.072 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | -172.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F1223 G1224 R1699 | G1221-F1223 PolarHBondContact O-N 2.84Å; G1221-G1224 PolarHBondContact N-O 3.39Å; G1221-R1699 PolarHBondContact O-NE 3.27Å |
| 1222 | P | 87.9 | Confident | 86.9 | Confident | 11 Ų | 11 | 31.4 Ų | 31.4 | 7% | 0.071 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -29.3 | 174.8 | -23.5 | 34.7 | 0 | 0 | 0 | 113 | H1696 R1699 R1700 | P1222-H1696 HydrophobicContact CB-CB 3.95Å; P1222-H1696 VanDerWaalsContact O-CA 3.25Å; P1222-H1696 WeakPolarHBondContact O-CA 3.32Å; P1222-R1699 WeakPolarHBondContact O-CB 3.35Å; P1222-R1699 VanDerWaalsContact O-CD 3.28Å; P1222-R1699 WeakPolarHBondContact O-CD 3.42Å; P1222-R1700 HydrophobicContact CB-CB 4.29Å; P1222-R1700 HydrophobicContact CG-CB 4.16Å |
| 1223 | F | 87.2 | Confident | 87 | Confident | 39 Ų | 39 | 33.8 Ų | 33.8 | 17% | 0.171 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -7.4 | -169.5 | -52.1 | -73.3 | 0 | 0 | 0 | 114.4 | T1138 G1221 A1400 H1696 | T1138-F1223 HydrophobicContact CG2-CB 3.97Å; T1138-F1223 HydrophobicContact CG2-CD1 3.75Å; T1138-F1223 HydrophobicContact CG2-CD2 3.38Å; T1138-F1223 HydrophobicContact CG2-CE1 4.08Å; T1138-F1223 HydrophobicContact CG2-CE2 3.76Å; T1138-F1223 HydrophobicContact CG2-CG 3.39Å; T1138-F1223 HydrophobicContact CG2-CZ 4.11Å; T1138-F1223 WeakPolarHBondContact OG1-CE1 3.5Å; T1138-F1223 WeakPolarHBondContact OG1-CE2 3.25Å; T1138-F1223 WeakPolarHBondContact OG1-CZ 3.37Å; G1221-F1223 PolarHBondContact O-N 2.84Å; F1223-A1400 WeakPolarHBondContact O-CB 3.19Å; F1223-H1696 HydrophobicContact CD1-CB 3.66Å; F1223-H1696 HydrophobicContact CE1-CB 3.36Å; F1223-H1696 AromaticContact CE1-CG 3.66Å; F1223-H1696 HydrophobicContact CZ-CB 4.11Å |
| 1224 | G | 89.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.7 | -155.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1157 G1221 R1699 | S1157-G1224 WeakPolarHBondContact OG-CA 3.42Å; G1221-G1224 PolarHBondContact N-O 3.39Å; G1224-R1699 VanDerWaalsContact C-NH2 3.27Å; G1224-R1699 PolarHBondContact O-NH2 3.43Å |
| 1225 | R | 90.5 | Very high | 85.9 | Confident | 27 Ų | 27 | 45.9 Ų | 45.9 | 10% | 0.102 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.7 | 168.3 | -177.4 | 175.2 | 69.6 | -173.1 | 13.5 | 108.2 | S1157 S1158 L1159 L1160 I1219 R1220 D1396 | S1157-R1225 CarbonylContact C-O 3.56Å; S1157-R1225 WeakPolarHBondContact CA-O 3.36Å; S1157-R1225 PolarHBondContact OG-N 3.19Å; S1157-R1225 VanDerWaalsContact OG-N 3.1Å; S1158-R1225 PolarHBondContact N-O 3.39Å; S1158-R1225 PolarHBondContact O-NE 3.1Å; S1158-R1225 PolarHBondContact O-NH2 2.92Å; L1159-R1225 PolarHBondContact O-NH2 3.08Å; L1160-R1225 VanDerWaalsContact O-CZ 3.25Å; L1160-R1225 PolarHBondContact O-NE 3.31Å; L1160-R1225 PolarHBondContact O-NH2 3.21Å; I1219-R1225 CarbonylContact O-C 3.6Å; I1219-R1225 VanDerWaalsContact O-CA 3.29Å; I1219-R1225 WeakPolarHBondContact O-CA 3.32Å; R1220-R1225 HydrophobicContact CG-CB 4.17Å; R1220-R1225 HydrophobicContact CG-CG 3.83Å; R1225-D1396 IonicContact CZ-OD2 3.87Å; R1225-D1396 IonicContact NE-OD2 2.67Å; R1225-D1396 IonicContact NH1-OD2 2.69Å; R1225-D1396 PolarHBondContact NH1-OD2 2.96Å |
| 1226 | H | 89.7 | Confident | 84.8 | Confident | 43 Ų | 43 | 49 Ų | 49 | 20% | 0.199 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 140.9 | 179.9 | -49.4 | -87.8 | 0 | 0 | 0 | 109.4 | L1218 I1219 | L1218-H1226 WeakPolarHBondContact CA-O 3.47Å; I1219-H1226 HydrophobicContact CB-CB 4.46Å; I1219-H1226 PolarHBondContact N-O 2.93Å; I1219-H1226 PolarHBondContact O-N 3.09Å |
| 1227 | A | 90.5 | Very high | 83.6 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 24% | 0.24 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 114.6 | -177 | 0 | 0 | 0 | 0 | 0 | 109.8 | L1160 L1217 L1218 | L1160-A1227 HydrophobicContact CB-CB 4.01Å; L1160-A1227 HydrophobicContact CD1-CB 3.9Å; L1217-A1227 WeakPolarHBondContact O-CA 3.47Å; L1218-A1227 HydrophobicContact CD2-CB 3.73Å |
| 1228 | W | 89.5 | Confident | 82.4 | Confident | 136 Ų | 136 | 58.5 Ų | 58.5 | 52% | 0.515 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 136 | -178.5 | -67.9 | -7.1 | 0 | 0 | 0 | 110.4 | T1216 L1217 I1219 | T1216-W1228 CarbonylContact C-O 3.59Å; T1216-W1228 WeakPolarHBondContact CA-O 2.98Å; L1217-W1228 PolarHBondContact N-O 3.49Å; L1217-W1228 PolarHBondContact O-N 3.45Å; I1219-W1228 HydrophobicContact CD1-CD2 3.88Å; I1219-W1228 HydrophobicContact CD1-CE3 3.64Å; I1219-W1228 HydrophobicContact CD1-CH2 4.27Å; I1219-W1228 HydrophobicContact CD1-CZ2 4.48Å; I1219-W1228 HydrophobicContact CD1-CZ3 3.85Å |
| 1229 | T | 87.6 | Confident | 81 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 46% | 0.46 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 121.8 | 169.7 | -57.6 | 0 | 0 | 0 | 0 | 109.2 | T1214 | T1214-T1229 HydrophobicContact CG2-CG2 3.77Å |
| 1230 | M | 84.8 | Confident | 79.3 | Confident | 65 Ų | 65 | 66.4 Ų | 66.4 | 32% | 0.32 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 134.8 | -176.4 | -55.3 | -169.6 | 74.9 | 0 | 0 | 110.1 | T1214 V1215 L1217 F1349 F1353 | T1214-M1230 WeakPolarHBondContact CA-O 3.36Å; V1215-M1230 HydrophobicContact CG1-CB 4.05Å; V1215-M1230 PolarHBondContact N-O 2.89Å; V1215-M1230 PolarHBondContact O-N 3.17Å; L1217-M1230 HydrophobicContact CD1-CG 4.07Å; L1217-M1230 HydrophobicContact CD1-SD 4.1Å; M1230-F1349 HydrophobicContact SD-CD2 3.61Å; M1230-F1349 HydrophobicContact SD-CE2 3.75Å; M1230-F1353 HydrophobicContact CE-CE2 3.89Å; M1230-F1353 HydrophobicContact CE-CZ 3.98Å; M1230-F1353 HydrophobicContact SD-CE2 4.35Å |
| 1231 | Q | 80.7 | Confident | 77.4 | Confident | 40 Ų | 40 | 68.7 Ų | 68.7 | 19% | 0.187 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 127.9 | 177.4 | -60.9 | -171.2 | -55.9 | 0 | 0 | 109.9 | P1213 T1214 R1233 | P1213-Q1231 WeakPolarHBondContact O-CA 3.29Å; T1214-Q1231 HydrophobicContact CG2-CG 4.12Å; Q1231-R1233 PolarHBondContact O-N 3.08Å |
| 1232 | L | 77.2 | Confident | 75.4 | Confident | 76 Ų | 76 | 76.8 Ų | 76.8 | 40% | 0.398 | 39% | 0.394 | S | S | . | . | trans | -75.1 | 123.8 | 172.4 | -173.6 | 64.8 | 0 | 0 | 0 | 109.7 | P1213 L1348 | P1213-L1232 HydrophobicContact CB-CB 3.96Å; P1213-L1232 HydrophobicContact CG-CB 4.06Å; P1213-L1232 HydrophobicContact CG-CD2 4.27Å; P1213-L1232 PolarHBondContact O-N 2.94Å; L1232-L1348 HydrophobicContact CD1-CD2 4.14Å; L1232-L1348 HydrophobicContact CD2-CD1 4.22Å; L1232-L1348 HydrophobicContact CD2-CD2 3.95Å; L1232-L1348 HydrophobicContact CG-CD2 4.45Å | ||
| 1233 | R | 71.8 | Confident | 73.4 | Confident | 85 Ų | 85 | 85.1 Ų | 85.1 | 32% | 0.321 | 43% | 0.429 | S | S | . | . | trans | -133.4 | 141.5 | 177.3 | -64.6 | -173.2 | 176 | -137.9 | -5.1 | 111.2 | Q1212 Q1231 L1235 S1240 | Q1212-R1233 VanDerWaalsContact OE1-NH2 3.14Å; Q1231-R1233 PolarHBondContact O-N 3.08Å; R1233-L1235 VanDerWaalsContact C-N 3.26Å; R1233-L1235 VanDerWaalsContact CB-O 3.31Å; R1233-L1235 WeakPolarHBondContact CB-O 3.22Å; R1233-L1235 PolarHBondContact O-N 2.81Å; R1233-S1240 PolarHBondContact NH1-OG 3.21Å | ||
| 1234 | H | 69.5 | Low | 71.3 | Confident | 195 Ų | 195 | 92 Ų | 92 | 90% | 0.903 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -73.7 | -16.3 | 172.2 | -62.6 | -74 | 0 | 0 | 0 | 113.4 | ||
| 1235 | L | 65.4 | Low | 69.2 | Low | 98 Ų | 98 | 100.6 Ų | 100.6 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -138.7 | 147.8 | 178.7 | -69.6 | 174.7 | 0 | 0 | 0 | 110.9 | R1233 K1239 | R1233-L1235 VanDerWaalsContact C-N 3.26Å; R1233-L1235 VanDerWaalsContact CB-O 3.31Å; R1233-L1235 WeakPolarHBondContact CB-O 3.22Å; R1233-L1235 PolarHBondContact O-N 2.81Å; L1235-K1239 HydrophobicContact CB-CB 4.29Å |
| 1236 | P | 64.9 | Low | 67.1 | Low | 71 Ų | 71 | 104 Ų | 104 | 46% | 0.461 | 53% | 0.528 | S | S | . | . | trans | -54.9 | 156.1 | 172.4 | -26.3 | 34.8 | 0 | 0 | 0 | 113.4 | S1238 K1239 S1240 | P1236-S1238 VanDerWaalsContact C-N 3.3Å; P1236-S1238 PolarHBondContact O-N 3.01Å; P1236-K1239 CarbonylContact O-C 3.52Å; P1236-K1239 PolarHBondContact O-N 3.24Å; P1236-S1240 PolarHBondContact O-N 3Å; P1236-S1240 PolarHBondContact O-OG 2.92Å | ||
| 1237 | R | 65 | Low | 65 | Low | 123 Ų | 123 | 108.5 Ų | 108.5 | 46% | 0.464 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -56.9 | -40.3 | 178.7 | -79.2 | -175.8 | 169.3 | -171.5 | -4.7 | 112.6 | C922 K1239 S1240 | C922-R1237 HydrophobicContact CB-CB 4.36Å; R1237-K1239 PolarHBondContact O-N 3.3Å; R1237-K1239 VanDerWaalsContact O-N 3.11Å; R1237-S1240 WeakPolarHBondContact CA-OG 3.42Å; R1237-S1240 PolarHBondContact O-N 2.64Å; R1237-S1240 VanDerWaalsContact O-N 3.13Å; R1237-S1240 PolarHBondContact O-OG 3.22Å |
| 1238 | S | 66.6 | Low | 63.1 | Low | 79 Ų | 79 | 113 Ų | 113 | 55% | 0.552 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -64 | -12.5 | 174.1 | 48.9 | 0 | 0 | 0 | 0 | 115.6 | C922 P1236 | C922-S1238 WeakPolarHBondContact O-CB 3.45Å; P1236-S1238 VanDerWaalsContact C-N 3.3Å; P1236-S1238 PolarHBondContact O-N 3.01Å |
| 1239 | K | 65 | Low | 61.1 | Low | 150 Ų | 150 | 111.7 Ų | 111.7 | 65% | 0.652 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -110.3 | -1.4 | 176.2 | -63.7 | -171 | -178.9 | -179.4 | 0 | 113.4 | L1235 P1236 R1237 | L1235-K1239 HydrophobicContact CB-CB 4.29Å; P1236-K1239 CarbonylContact O-C 3.52Å; P1236-K1239 PolarHBondContact O-N 3.24Å; R1237-K1239 PolarHBondContact O-N 3.3Å; R1237-K1239 VanDerWaalsContact O-N 3.11Å |
| 1240 | S | 57 | Low | 59 | Low | 40 Ų | 40 | 110.6 Ų | 110.6 | 28% | 0.28 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -113.9 | 90.3 | -179.8 | 36.2 | 0 | 0 | 0 | 0 | 110.9 | R1233 P1236 R1237 | R1233-S1240 PolarHBondContact NH1-OG 3.21Å; P1236-S1240 PolarHBondContact O-N 3Å; P1236-S1240 PolarHBondContact O-OG 2.92Å; R1237-S1240 WeakPolarHBondContact CA-OG 3.42Å; R1237-S1240 PolarHBondContact O-N 2.64Å; R1237-S1240 VanDerWaalsContact O-N 3.13Å; R1237-S1240 PolarHBondContact O-OG 3.22Å |
| 1241 | G | 54.5 | Low | 57.2 | Low | 53 Ų | 53 | 116.6 Ų | 116.6 | 55% | 0.546 | 60% | 0.604 | S | S | . | * | trans | -69.2 | 151.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1243 | G1241-K1243 PolarHBondContact O-N 2.69Š| ||
| 1242 | I | 50 | Low | 55.6 | Low | 177 Ų | 177 | 119.9 Ų | 119.9 | 91% | 0.908 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -7 | -162.4 | -53.2 | 164.8 | 0 | 0 | 0 | 114.6 | ||
| 1243 | K | 44 | Very low | 54.4 | Low | 186 Ų | 186 | 123.2 Ų | 123.2 | 81% | 0.809 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138 | 44.4 | -171.3 | -71.8 | -164.8 | 173.4 | -173.5 | 0 | 115.3 | G1241 | G1241-K1243 PolarHBondContact O-N 2.69Š|
| 1244 | Y | 44.4 | Very low | 53.1 | Low | 185 Ų | 185 | 123.2 Ų | 123.2 | 73% | 0.725 | 66% | 0.657 | S | S | * | * | trans | -136.5 | 116.8 | 169.8 | -69.7 | -75.6 | 0 | 0 | 0 | 111.7 | I1247 | Y1244-I1247 HydrophobicContact CD1-CD1 4.3Š| ||
| 1245 | H | 44.6 | Very low | 51.9 | Low | 180 Ų | 180 | 120.4 Ų | 120.4 | 83% | 0.833 | 65% | 0.646 | S | S | * | * | trans | -48.9 | 145.5 | 143.6 | -68.5 | -39.5 | 0 | 0 | 0 | 107.9 | I1247 | H1245-I1247 VanDerWaalsContact C-N 3.27Å; H1245-I1247 PolarHBondContact O-N 3.4Å | ||
| 1246 | A | 47.4 | Very low | 51.2 | Low | 97 Ų | 97 | 122.7 Ų | 122.7 | 80% | 0.802 | 66% | 0.659 | S | S | * | * | trans | -62.4 | 91.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | N1248 | A1246-N1248 VanDerWaalsContact C-N 3.34Å; A1246-N1248 PolarHBondContact O-N 2.74Å | ||
| 1247 | I | 45.5 | Very low | 50.2 | Low | 138 Ų | 138 | 125.1 Ų | 125.1 | 71% | 0.708 | 67% | 0.668 | S | S | * | * | trans | -54.7 | 110.5 | 154.6 | -62.3 | 176.6 | 0 | 0 | 0 | 103.6 | Y1244 H1245 P1249 | Y1244-I1247 HydrophobicContact CD1-CD1 4.3Å; H1245-I1247 VanDerWaalsContact C-N 3.27Å; H1245-I1247 PolarHBondContact O-N 3.4Å; I1247-P1249 VanDerWaalsContact O-N 3.08Å | ||
| 1248 | N | 49.9 | Very low | 49.4 | Very low | 123 Ų | 123 | 125.1 Ų | 125.1 | 66% | 0.658 | 68% | 0.681 | S | S | * | * | trans | -34.8 | 116.8 | -178.2 | -179.5 | -1.2 | 0 | 0 | 0 | 108.9 | A1246 G1250 | A1246-N1248 VanDerWaalsContact C-N 3.34Å; A1246-N1248 PolarHBondContact O-N 2.74Å; N1248-G1250 WeakPolarHBondContact O-CA 3.48Å; N1248-G1250 PolarHBondContact O-N 3.48Å | ||
| 1249 | P | 47.4 | Very low | 48.1 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 71% | 0.708 | 69% | 0.692 | S | S | * | * | trans | -67.1 | 85.6 | 179.3 | 27.6 | -33 | 0 | 0 | 0 | 106.7 | I1247 R1251 | I1247-P1249 VanDerWaalsContact O-N 3.08Å; P1249-R1251 PolarHBondContact O-N 3.2Å | ||
| 1250 | G | 44.3 | Very low | 47.1 | Very low | 53 Ų | 53 | 129 Ų | 129 | 55% | 0.546 | 70% | 0.702 | S | S | . | * | trans | -55.2 | 128.6 | -149.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | N1248 | N1248-G1250 WeakPolarHBondContact O-CA 3.48Å; N1248-G1250 PolarHBondContact O-N 3.48Å | ||
| 1251 | R | 46.8 | Very low | 46.6 | Very low | 190 Ų | 190 | 136.7 Ų | 136.7 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | trans | -20.4 | 107.8 | -170.5 | -179.4 | -162.7 | -170.2 | -145.6 | 4.1 | 109.2 | P1249 I1253 | P1249-R1251 PolarHBondContact O-N 3.2Å; R1251-I1253 PolarHBondContact O-N 3.27Å | ||
| 1252 | P | 46.2 | Very low | 45.8 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 71% | 0.714 | 74% | 0.737 | S | S | * | * | trans | -43.2 | 117.3 | -171 | -32.5 | 34.7 | 0 | 0 | 0 | 109 | ||||
| 1253 | I | 51.5 | Low | 45.3 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 74% | 0.744 | 74% | 0.735 | S | S | * | * | trans | -48.6 | 123.5 | -175.9 | -60.2 | 174.1 | 0 | 0 | 0 | 105 | R1251 M1255 | R1251-I1253 PolarHBondContact O-N 3.27Å; I1253-M1255 PolarHBondContact O-N 3.47Å | ||
| 1254 | P | 46.2 | Very low | 45 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 55% | 0.552 | 73% | 0.729 | S | S | * | * | trans | -63.7 | 94.5 | -173.1 | 23.4 | -32.6 | 0 | 0 | 0 | 108.2 | N1256 | P1254-N1256 PolarHBondContact O-N 3.05Š| ||
| 1255 | M | 44.3 | Very low | 44.8 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | trans | -69.8 | 103.5 | 174.2 | -74.4 | 169.3 | 59.6 | 0 | 0 | 104.6 | I1253 D1257 | I1253-M1255 PolarHBondContact O-N 3.47Å; M1255-D1257 HydrophobicContact CB-CB 4.26Å; M1255-D1257 WeakPolarHBondContact CE-OD2 3.26Å; M1255-D1257 PolarHBondContact O-N 3.02Å | ||
| 1256 | N | 48.9 | Very low | 44.7 | Very low | 146 Ų | 146 | 135 Ų | 135 | 78% | 0.781 | 73% | 0.728 | S | S | * | * | trans | -69.5 | 22.9 | 167.8 | -76.8 | 5.2 | 0 | 0 | 0 | 112 | P1254 V1258 | P1254-N1256 PolarHBondContact O-N 3.05Å; N1256-V1258 PolarHBondContact O-N 3.49Å | ||
| 1257 | D | 45.7 | Very low | 44.6 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 65% | 0.647 | 71% | 0.713 | S | S | * | * | trans | -59.3 | 75.6 | 143.6 | -67.3 | -19.2 | 0 | 0 | 0 | 107.7 | M1255 T1259 | M1255-D1257 HydrophobicContact CB-CB 4.26Å; M1255-D1257 WeakPolarHBondContact CE-OD2 3.26Å; M1255-D1257 PolarHBondContact O-N 3.02Å; D1257-T1259 PolarHBondContact O-N 2.68Å | ||
| 1258 | V | 46.5 | Very low | 45 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 75% | 0.745 | 71% | 0.713 | S | S | * | * | trans | -49.2 | 112.6 | 165.3 | 173.6 | 0 | 0 | 0 | 0 | 105.6 | N1256 Q1260 | N1256-V1258 PolarHBondContact O-N 3.49Å; V1258-Q1260 PolarHBondContact O-N 3.42Å | ||
| 1259 | T | 40 | Very low | 45.1 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | trans | -53 | 113.4 | 167 | 5.4 | 0 | 0 | 0 | 0 | 105.3 | D1257 R1261 | D1257-T1259 PolarHBondContact O-N 2.68Å; T1259-R1261 PolarHBondContact O-N 3Å | ||
| 1260 | Q | 45.1 | Very low | 45.5 | Very low | 182 Ų | 182 | 135.9 Ų | 135.9 | 85% | 0.85 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 117.1 | 162.7 | -78.9 | -175.2 | -43.4 | 0 | 0 | 104.6 | V1258 L1262 | V1258-Q1260 PolarHBondContact O-N 3.42Å; Q1260-L1262 PolarHBondContact O-N 3.31Å |
| 1261 | R | 45.3 | Very low | 45.9 | Very low | 202 Ų | 202 | 139 Ų | 139 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 118.6 | 161.3 | -74.5 | -178.8 | 176.7 | 164.8 | -0.1 | 103.2 | T1259 D1263 | T1259-R1261 PolarHBondContact O-N 3Å; R1261-D1263 PolarHBondContact O-N 2.64Å; R1261-D1263 VanDerWaalsContact O-N 3.11Å |
| 1262 | L | 38.8 | Very low | 46.5 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 80% | 0.801 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 125.6 | 159.3 | -78.8 | 160.7 | 0 | 0 | 0 | 104.5 | Q1260 S1264 | Q1260-L1262 PolarHBondContact O-N 3.31Å; L1262-S1264 PolarHBondContact O-N 3Å; L1262-S1264 PolarHBondContact O-OG 2.89Å |
| 1263 | D | 37.7 | Very low | 47.3 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 87% | 0.872 | 68% | 0.679 | S | S | * | * | trans | -69.2 | 71.9 | 171.1 | -78 | -45.3 | 0 | 0 | 0 | 107.4 | R1261 E1265 | R1261-D1263 PolarHBondContact O-N 2.64Å; R1261-D1263 VanDerWaalsContact O-N 3.11Å; D1263-E1265 VanDerWaalsContact C-N 3.25Å; D1263-E1265 PolarHBondContact O-N 2.87Å | ||
| 1264 | S | 38.6 | Very low | 47.6 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 67% | 0.671 | 69% | 0.687 | S | S | * | * | trans | -64.3 | 92.9 | 167.7 | -63 | 0 | 0 | 0 | 0 | 105.6 | L1262 Q1266 | L1262-S1264 PolarHBondContact O-N 3Å; L1262-S1264 PolarHBondContact O-OG 2.89Å; S1264-Q1266 PolarHBondContact O-N 3.36Å; S1264-Q1266 VanDerWaalsContact O-N 3.1Å | ||
| 1265 | E | 40.4 | Very low | 48.4 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 73% | 0.729 | 70% | 0.698 | S | S | * | * | trans | -42.4 | 123.9 | 159.2 | -70.9 | -169.8 | 137.6 | 0 | 0 | 107.2 | D1263 K1267 | D1263-E1265 VanDerWaalsContact C-N 3.25Å; D1263-E1265 PolarHBondContact O-N 2.87Å; E1265-K1267 PolarHBondContact O-N 2.86Å | ||
| 1266 | Q | 43.2 | Very low | 49 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | trans | -71.3 | 75.2 | 173.2 | -74.8 | -174.6 | -29.2 | 0 | 0 | 108.4 | S1264 N1268 | S1264-Q1266 PolarHBondContact O-N 3.36Å; S1264-Q1266 VanDerWaalsContact O-N 3.1Å; Q1266-N1268 PolarHBondContact O-N 3.25Å | ||
| 1267 | K | 43.3 | Very low | 49.5 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 48% | 0.478 | 70% | 0.697 | S | S | . | * | trans | -62.4 | 91.3 | 161.9 | -71.6 | -160.5 | 178 | -163.1 | 0 | 106.7 | E1265 F1269 D1271 | E1265-K1267 PolarHBondContact O-N 2.86Å; K1267-F1269 PolarHBondContact O-N 2.67Å; K1267-D1271 IonicContact NZ-OD1 2.69Å; K1267-D1271 PolarHBondContact NZ-OD1 2.86Å; K1267-D1271 IonicContact NZ-OD2 2.77Å; K1267-D1271 PolarHBondContact NZ-OD2 3.3Å | ||
| 1268 | N | 54.3 | Low | 50.3 | Low | 134 Ų | 134 | 132.4 Ų | 132.4 | 72% | 0.717 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -55.4 | -21.8 | -178.2 | -68.9 | -39.8 | 0 | 0 | 0 | 112.4 | Q1266 | Q1266-N1268 PolarHBondContact O-N 3.25Š|
| 1269 | F | 51.7 | Low | 50.9 | Low | 147 Ų | 147 | 129.8 Ų | 129.8 | 65% | 0.645 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -140 | 149.2 | 167.4 | -63.9 | -73.6 | 0 | 0 | 0 | 111 | K1267 V1273 | K1267-F1269 PolarHBondContact O-N 2.67Å; F1269-V1273 HydrophobicContact CB-CB 3.87Å; F1269-V1273 HydrophobicContact CB-CG1 4.06Å; F1269-V1273 HydrophobicContact CB-CG2 3.86Å; F1269-V1273 HydrophobicContact CD1-CG1 4.23Å; F1269-V1273 HydrophobicContact CD1-CG2 4.24Å; F1269-V1273 HydrophobicContact CG-CB 4.43Å; F1269-V1273 HydrophobicContact CG-CG1 4.1Å; F1269-V1273 HydrophobicContact CG-CG2 4.39Å |
| 1270 | P | 56.1 | Low | 52 | Low | 95 Ų | 95 | 130 Ų | 130 | 62% | 0.617 | 68% | 0.676 | S | S | * | * | trans | -71.8 | 158 | 175.2 | 29 | -34.3 | 0 | 0 | 0 | 112.4 | G1272 V1273 | P1270-G1272 PolarHBondContact O-N 2.8Å; P1270-V1273 HydrophobicContact CG-CG2 4.04Å; P1270-V1273 PolarHBondContact O-N 3.28Å | ||
| 1271 | D | 52.7 | Low | 52.9 | Low | 120 Ų | 120 | 124.2 Ų | 124.2 | 64% | 0.642 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 14.7 | -170.6 | -57.5 | -60.7 | 0 | 0 | 0 | 116.6 | K1267 | K1267-D1271 IonicContact NZ-OD1 2.69Å; K1267-D1271 PolarHBondContact NZ-OD1 2.86Å; K1267-D1271 IonicContact NZ-OD2 2.77Å; K1267-D1271 PolarHBondContact NZ-OD2 3.3Å |
| 1272 | G | 60.9 | Low | 53.6 | Low | 37 Ų | 37 | 119.2 Ų | 119.2 | 38% | 0.381 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.5 | -12.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115 | P1270 D1274 K1275 | P1270-G1272 PolarHBondContact O-N 2.8Å; G1272-D1274 PolarHBondContact O-N 3.06Å; G1272-K1275 WeakPolarHBondContact O-CB 3.3Å; G1272-K1275 PolarHBondContact O-N 2.99Å |
| 1273 | V | 61.6 | Low | 54.8 | Low | 56 Ų | 56 | 120.1 Ų | 120.1 | 34% | 0.339 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -65.2 | -37.3 | -171.9 | 166.8 | 0 | 0 | 0 | 0 | 112.9 | F1269 P1270 K1275 V1276 | F1269-V1273 HydrophobicContact CB-CB 3.87Å; F1269-V1273 HydrophobicContact CB-CG1 4.06Å; F1269-V1273 HydrophobicContact CB-CG2 3.86Å; F1269-V1273 HydrophobicContact CD1-CG1 4.23Å; F1269-V1273 HydrophobicContact CD1-CG2 4.24Å; F1269-V1273 HydrophobicContact CG-CB 4.43Å; F1269-V1273 HydrophobicContact CG-CG1 4.1Å; F1269-V1273 HydrophobicContact CG-CG2 4.39Å; P1270-V1273 HydrophobicContact CG-CG2 4.04Å; P1270-V1273 PolarHBondContact O-N 3.28Å; V1273-K1275 PolarHBondContact O-N 3.15Å; V1273-V1276 WeakPolarHBondContact O-CB 3.27Å; V1273-V1276 PolarHBondContact O-N 3.03Å |
| 1274 | D | 59.1 | Low | 56.3 | Low | 169 Ų | 169 | 116.7 Ų | 116.7 | 90% | 0.904 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -62.6 | -8.3 | 174.7 | -60.7 | -32.8 | 0 | 0 | 0 | 114.2 | G1272 | G1272-D1274 PolarHBondContact O-N 3.06Š|
| 1275 | K | 62.3 | Low | 57.4 | Low | 179 Ų | 179 | 118.5 Ų | 118.5 | 78% | 0.778 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -99.8 | -7.8 | 176.2 | -59.5 | 168.5 | -175.7 | 153.1 | 0 | 112.8 | G1272 V1273 | G1272-K1275 WeakPolarHBondContact O-CB 3.3Å; G1272-K1275 PolarHBondContact O-N 2.99Å; V1273-K1275 PolarHBondContact O-N 3.15Å |
| 1276 | V | 57.5 | Low | 58.5 | Low | 95 Ų | 95 | 112.8 Ų | 112.8 | 58% | 0.576 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -84.1 | 126.8 | 173.6 | -175.4 | 0 | 0 | 0 | 0 | 108 | V1273 P1278 | V1273-V1276 WeakPolarHBondContact O-CB 3.27Å; V1273-V1276 PolarHBondContact O-N 3.03Å; V1276-P1278 WeakPolarHBondContact O-CD 3.29Å |
| 1277 | Q | 59.1 | Low | 59.7 | Low | 185 Ų | 185 | 107.6 Ų | 107.6 | 86% | 0.864 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 121.3 | 171.1 | -100.5 | -171.9 | -24.6 | 0 | 0 | 109 | C1279 | Q1277-C1279 PolarHBondContact O-N 3.18Š|
| 1278 | P | 62.1 | Low | 60.6 | Low | 74 Ų | 74 | 108.5 Ų | 108.5 | 48% | 0.481 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 128.9 | -179.7 | 25.3 | -33.5 | 0 | 0 | 0 | 110.3 | V1276 D1282 Y1283 | V1276-P1278 WeakPolarHBondContact O-CD 3.29Å; P1278-D1282 WeakPolarHBondContact CA-OD2 3.38Å; P1278-D1282 HydrophobicContact CB-CB 4.01Å; P1278-Y1283 HydrophobicContact CB-CE2 4.18Å; P1278-Y1283 HydrophobicContact CG-CE2 4.4Å |
| 1279 | C | 59.6 | Low | 61.1 | Low | 68 Ų | 68 | 109 Ų | 109 | 46% | 0.459 | 60% | 0.595 | S | S | . | * | trans | -86.6 | 175.3 | 175.3 | 77.9 | 0 | 0 | 0 | 0 | 110.8 | Q1277 A1281 D1282 Y1283 | Q1277-C1279 PolarHBondContact O-N 3.18Å; C1279-A1281 PolarHBondContact O-N 3.43Å; C1279-A1281 VanDerWaalsContact O-N 3.16Å; C1279-A1281 PolarHBondContact SG-N 3.16Å; C1279-D1282 PolarHBondContact N-OD2 3.47Å; C1279-D1282 PolarHBondContact O-N 3.33Å; C1279-D1282 PolarHBondContact SG-OD2 2.9Å; C1279-Y1283 WeakPolarHBondContact O-CD2 3.48Å | ||
| 1280 | V | 63.3 | Low | 61.9 | Low | 133 Ų | 133 | 106.3 Ų | 106.3 | 81% | 0.806 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -24.4 | -178.4 | -175.3 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1281 | A | 63.1 | Low | 62.2 | Low | 61 Ų | 61 | 105.4 Ų | 105.4 | 50% | 0.504 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.1 | -27.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C1279 Y1283 S1284 | C1279-A1281 PolarHBondContact O-N 3.43Å; C1279-A1281 VanDerWaalsContact O-N 3.16Å; C1279-A1281 PolarHBondContact SG-N 3.16Å; A1281-Y1283 PolarHBondContact O-N 3.15Å; A1281-S1284 WeakPolarHBondContact O-CB 3.2Å; A1281-S1284 PolarHBondContact O-N 3.11Å; A1281-S1284 PolarHBondContact O-OG 3.42Å |
| 1282 | D | 60.8 | Low | 62.9 | Low | 96 Ų | 96 | 105.8 Ų | 105.8 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.2 | -18.6 | 179.7 | -56.5 | -52 | 0 | 0 | 0 | 112 | P1278 C1279 S1284 | P1278-D1282 WeakPolarHBondContact CA-OD2 3.38Å; P1278-D1282 HydrophobicContact CB-CB 4.01Å; C1279-D1282 PolarHBondContact N-OD2 3.47Å; C1279-D1282 PolarHBondContact O-N 3.33Å; C1279-D1282 PolarHBondContact SG-OD2 2.9Å; D1282-S1284 VanDerWaalsContact C-N 3.35Å |
| 1283 | Y | 63.6 | Low | 63.2 | Low | 172 Ų | 172 | 112.1 Ų | 112.1 | 68% | 0.675 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 4.8 | 169.8 | -61.4 | -77.1 | 0 | 0 | 0 | 113.8 | P1278 C1279 A1281 | P1278-Y1283 HydrophobicContact CB-CE2 4.18Å; P1278-Y1283 HydrophobicContact CG-CE2 4.4Å; C1279-Y1283 WeakPolarHBondContact O-CD2 3.48Å; A1281-Y1283 PolarHBondContact O-N 3.15Å |
| 1284 | S | 68.6 | Low | 63.4 | Low | 91 Ų | 91 | 115.4 Ų | 115.4 | 64% | 0.636 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -81.2 | -20.9 | 178.1 | 71.4 | 0 | 0 | 0 | 0 | 113.8 | A1281 D1282 | A1281-S1284 WeakPolarHBondContact O-CB 3.2Å; A1281-S1284 PolarHBondContact O-N 3.11Å; A1281-S1284 PolarHBondContact O-OG 3.42Å; D1282-S1284 VanDerWaalsContact C-N 3.35Å |
| 1285 | I | 62.5 | Low | 63.8 | Low | 135 Ų | 135 | 114 Ų | 114 | 69% | 0.692 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -94.4 | 112.2 | 171.5 | -57.9 | 177.3 | 0 | 0 | 0 | 107.3 | ||
| 1286 | P | 63.8 | Low | 64.2 | Low | 35 Ų | 35 | 106.8 Ų | 106.8 | 23% | 0.227 | 56% | 0.556 | C | S | . | * | trans | -63.2 | 141.9 | 178 | 24.7 | -32.7 | 0 | 0 | 0 | 110.9 | Q1290 M1291 | P1286-Q1290 HydrophobicContact CB-CB 3.86Å; P1286-M1291 HydrophobicContact CB-CG 4.06Å; P1286-M1291 HydrophobicContact CG-CG 3.67Å; P1286-M1291 HydrophobicContact CG-SD 4.25Å | ||
| 1287 | T | 67.1 | Low | 64.8 | Low | 68 Ų | 68 | 106.5 Ų | 106.5 | 42% | 0.417 | 55% | 0.554 | S | S | . | * | trans | -61.9 | 160.3 | 177.2 | 69.3 | 0 | 0 | 0 | 0 | 111 | E1289 Q1290 M1291 | T1287-E1289 PolarHBondContact O-N 3.46Å; T1287-Q1290 CarbonylContact O-C 3.58Å; T1287-Q1290 WeakPolarHBondContact O-CA 3.26Å; T1287-Q1290 WeakPolarHBondContact O-CB 3.23Å; T1287-Q1290 PolarHBondContact O-N 3.13Å; T1287-Q1290 WeakPolarHBondContact OG1-CG 3.33Å; T1287-Q1290 PolarHBondContact OG1-N 2.92Å; T1287-M1291 PolarHBondContact O-N 3.44Å | ||
| 1288 | I | 62.3 | Low | 65.4 | Low | 129 Ų | 129 | 101 Ų | 101 | 66% | 0.662 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.6 | -23.2 | -179 | -155.8 | 165.9 | 0 | 0 | 0 | 112.8 | R1292 | I1288-R1292 WeakPolarHBondContact O-CG 3.37Å; I1288-R1292 PolarHBondContact O-N 3.45Å; I1288-R1292 VanDerWaalsContact O-N 3.13Å |
| 1289 | E | 66.2 | Low | 65.9 | Low | 143 Ų | 143 | 101 Ų | 101 | 67% | 0.668 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -77.3 | -44.1 | 172.8 | -64.7 | 161.8 | 140.5 | 0 | 0 | 111.4 | T1287 M1291 R1292 E1293 | T1287-E1289 PolarHBondContact O-N 3.46Å; E1289-M1291 VanDerWaalsContact C-N 3.32Å; E1289-M1291 PolarHBondContact O-N 3.45Å; E1289-R1292 WeakPolarHBondContact O-CA 3.41Å; E1289-R1292 WeakPolarHBondContact O-CB 3.22Å; E1289-R1292 PolarHBondContact O-N 3.09Å; E1289-R1292 VanDerWaalsContact O-N 3.07Å; E1289-E1293 PolarHBondContact O-N 3.32Å |
| 1290 | Q | 67.7 | Low | 66.5 | Low | 92 Ų | 92 | 99.2 Ų | 99.2 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -35.4 | 172.8 | -70.3 | 168.9 | -12.7 | 0 | 0 | 112.2 | P1286 T1287 E1293 Q1294 | P1286-Q1290 HydrophobicContact CB-CB 3.86Å; T1287-Q1290 CarbonylContact O-C 3.58Å; T1287-Q1290 WeakPolarHBondContact O-CA 3.26Å; T1287-Q1290 WeakPolarHBondContact O-CB 3.23Å; T1287-Q1290 PolarHBondContact O-N 3.13Å; T1287-Q1290 WeakPolarHBondContact OG1-CG 3.33Å; T1287-Q1290 PolarHBondContact OG1-N 2.92Å; Q1290-E1293 PolarHBondContact O-N 2.98Å; Q1290-Q1294 WeakPolarHBondContact O-CB 3.38Å; Q1290-Q1294 WeakPolarHBondContact O-CG 3.37Å; Q1290-Q1294 PolarHBondContact O-N 3.18Å |
| 1291 | M | 63.3 | Low | 67.1 | Low | 76 Ų | 76 | 100.8 Ų | 100.8 | 37% | 0.374 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.3 | -34.2 | 171 | -70 | -151.8 | -69.1 | 0 | 0 | 112.4 | P1286 T1287 E1289 E1293 Q1294 Y1295 | P1286-M1291 HydrophobicContact CB-CG 4.06Å; P1286-M1291 HydrophobicContact CG-CG 3.67Å; P1286-M1291 HydrophobicContact CG-SD 4.25Å; T1287-M1291 PolarHBondContact O-N 3.44Å; E1289-M1291 VanDerWaalsContact C-N 3.32Å; E1289-M1291 PolarHBondContact O-N 3.45Å; M1291-E1293 VanDerWaalsContact C-N 3.31Å; M1291-E1293 PolarHBondContact O-N 3.45Å; M1291-Q1294 PolarHBondContact O-N 3.4Å; M1291-Y1295 HydrophobicContact CB-CD2 4.28Å; M1291-Y1295 HydrophobicContact CG-CD2 4.49Å; M1291-Y1295 HydrophobicContact CG-CE2 4.45Å; M1291-Y1295 PolarHBondContact O-N 3.08Å |
| 1292 | R | 66.6 | Low | 67.8 | Low | 128 Ų | 128 | 104 Ų | 104 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -34.6 | 171.2 | -85 | -179.4 | 168.3 | -141.4 | -7.7 | 112.7 | I1288 E1289 G1296 I1300 E1304 | I1288-R1292 WeakPolarHBondContact O-CG 3.37Å; I1288-R1292 PolarHBondContact O-N 3.45Å; I1288-R1292 VanDerWaalsContact O-N 3.13Å; E1289-R1292 WeakPolarHBondContact O-CA 3.41Å; E1289-R1292 WeakPolarHBondContact O-CB 3.22Å; E1289-R1292 PolarHBondContact O-N 3.09Å; E1289-R1292 VanDerWaalsContact O-N 3.07Å; R1292-G1296 WeakPolarHBondContact O-CA 3.13Å; R1292-G1296 PolarHBondContact O-N 3.08Å; R1292-I1300 HydrophobicContact CB-CD1 4.14Å; R1292-I1300 HydrophobicContact CG-CD1 3.43Å; R1292-I1300 VanDerWaalsContact CG-CD1 3.43Å; R1292-E1304 IonicContact NH2-OE1 3.58Å |
| 1293 | E | 66.7 | Low | 68.5 | Low | 170 Ų | 170 | 104.3 Ų | 104.3 | 79% | 0.794 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -75.9 | -40.3 | 173 | -67.3 | -170.3 | 143.4 | 0 | 0 | 113.2 | E1289 Q1290 M1291 | E1289-E1293 PolarHBondContact O-N 3.32Å; Q1290-E1293 PolarHBondContact O-N 2.98Å; M1291-E1293 VanDerWaalsContact C-N 3.31Å; M1291-E1293 PolarHBondContact O-N 3.45Å |
| 1294 | Q | 66.9 | Low | 69.2 | Low | 124 Ų | 124 | 100.4 Ų | 100.4 | 58% | 0.579 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -73.5 | -42.8 | -177.3 | -77.3 | -175.6 | -11.5 | 0 | 0 | 114.3 | Q1290 M1291 | Q1290-Q1294 WeakPolarHBondContact O-CB 3.38Å; Q1290-Q1294 WeakPolarHBondContact O-CG 3.37Å; Q1290-Q1294 PolarHBondContact O-N 3.18Å; M1291-Q1294 PolarHBondContact O-N 3.4Å |
| 1295 | Y | 66.8 | Low | 69.8 | Low | 141 Ų | 141 | 98.7 Ų | 98.7 | 55% | 0.553 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -107.6 | -13.5 | -172 | -59.7 | -80.5 | 0 | 0 | 0 | 113.6 | M1291 V1299 | M1291-Y1295 HydrophobicContact CB-CD2 4.28Å; M1291-Y1295 HydrophobicContact CG-CD2 4.49Å; M1291-Y1295 HydrophobicContact CG-CE2 4.45Å; M1291-Y1295 PolarHBondContact O-N 3.08Å; Y1295-V1299 WeakPolarHBondContact O-CG2 3.38Å |
| 1296 | G | 70.1 | Confident | 70.8 | Confident | 27 Ų | 27 | 97.4 Ų | 97.4 | 28% | 0.278 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | 76.3 | 158.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R1292 A1298 V1299 I1300 | R1292-G1296 WeakPolarHBondContact O-CA 3.13Å; R1292-G1296 PolarHBondContact O-N 3.08Å; G1296-A1298 PolarHBondContact O-N 2.98Å; G1296-V1299 PolarHBondContact O-N 3.02Å; G1296-I1300 PolarHBondContact O-N 2.9Å |
| 1297 | T | 70 | Confident | 71.5 | Confident | 88 Ų | 88 | 101.1 Ų | 101.1 | 54% | 0.54 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -74.8 | 11.2 | -176.6 | 52 | 0 | 0 | 0 | 0 | 115 | R1301 | T1297-R1301 PolarHBondContact O-NE 3.36Å; T1297-R1301 PolarHBondContact O-NH2 2.91Å |
| 1298 | A | 73.1 | Confident | 72.2 | Confident | 69 Ų | 69 | 104.1 Ų | 104.1 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -94.2 | -60.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | G1296 I1300 R1301 E1302 | G1296-A1298 PolarHBondContact O-N 2.98Å; A1298-I1300 VanDerWaalsContact C-N 3.25Å; A1298-I1300 PolarHBondContact O-N 2.89Å; A1298-R1301 PolarHBondContact O-N 3.04Å; A1298-E1302 PolarHBondContact O-N 2.97Å |
| 1299 | V | 71.8 | Confident | 73.1 | Confident | 74 Ų | 74 | 101.7 Ų | 101.7 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.3 | -37.4 | 179.8 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | Y1295 G1296 R1301 E1302 L1303 | Y1295-V1299 WeakPolarHBondContact O-CG2 3.38Å; G1296-V1299 PolarHBondContact O-N 3.02Å; V1299-R1301 PolarHBondContact O-N 2.81Å; V1299-E1302 WeakPolarHBondContact O-CB 3.34Å; V1299-E1302 PolarHBondContact O-N 3.01Å; V1299-L1303 PolarHBondContact O-N 3.22Å |
| 1300 | I | 73 | Confident | 73.7 | Confident | 31 Ų | 31 | 99.7 Ų | 99.7 | 16% | 0.159 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -67.4 | -34.6 | 177.1 | -69.6 | 171.8 | 0 | 0 | 0 | 112 | R1292 G1296 A1298 L1303 E1304 | R1292-I1300 HydrophobicContact CB-CD1 4.14Å; R1292-I1300 HydrophobicContact CG-CD1 3.43Å; R1292-I1300 VanDerWaalsContact CG-CD1 3.43Å; G1296-I1300 PolarHBondContact O-N 2.9Å; A1298-I1300 VanDerWaalsContact C-N 3.25Å; A1298-I1300 PolarHBondContact O-N 2.89Å; I1300-L1303 PolarHBondContact O-N 3.42Å; I1300-E1304 HydrophobicContact CG2-CG 4.37Å; I1300-E1304 WeakPolarHBondContact CG2-OE1 3.39Å; I1300-E1304 WeakPolarHBondContact O-CB 3.24Å; I1300-E1304 WeakPolarHBondContact O-CG 3.08Å; I1300-E1304 PolarHBondContact O-N 3.16Å |
| 1301 | R | 75.4 | Confident | 74.2 | Confident | 166 Ų | 166 | 97.4 Ų | 97.4 | 63% | 0.626 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -73.5 | -30.3 | 173.7 | -91.6 | -172.3 | -65.5 | 164.9 | -1.4 | 113.1 | T1297 A1298 V1299 E1304 S1305 | T1297-R1301 PolarHBondContact O-NE 3.36Å; T1297-R1301 PolarHBondContact O-NH2 2.91Å; A1298-R1301 PolarHBondContact O-N 3.04Å; V1299-R1301 PolarHBondContact O-N 2.81Å; R1301-E1304 VanDerWaalsContact CG-OE2 3.27Å; R1301-E1304 WeakPolarHBondContact CG-OE2 3.47Å; R1301-S1305 VanDerWaalsContact O-CB 3.29Å; R1301-S1305 WeakPolarHBondContact O-CB 3.24Å; R1301-S1305 PolarHBondContact O-N 3.34Å |
| 1302 | E | 78.6 | Confident | 75 | Confident | 129 Ų | 129 | 97.5 Ų | 97.5 | 60% | 0.603 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.5 | -41.3 | 170.8 | -169.8 | 167.6 | -149 | 0 | 0 | 110.6 | A1298 V1299 S1305 L1306 | A1298-E1302 PolarHBondContact O-N 2.97Å; V1299-E1302 WeakPolarHBondContact O-CB 3.34Å; V1299-E1302 PolarHBondContact O-N 3.01Å; E1302-S1305 PolarHBondContact O-N 2.93Å; E1302-L1306 WeakPolarHBondContact O-CB 3.38Å; E1302-L1306 VanDerWaalsContact O-CG 3.3Å; E1302-L1306 WeakPolarHBondContact O-CG 3.43Å; E1302-L1306 PolarHBondContact O-N 3.01Å |
| 1303 | L | 74.2 | Confident | 75.6 | Confident | 102 Ų | 102 | 97.4 Ų | 97.4 | 53% | 0.534 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.2 | -42.7 | 174 | -165.1 | 73.6 | 0 | 0 | 0 | 112.9 | V1299 I1300 S1305 L1306 L1307 | V1299-L1303 PolarHBondContact O-N 3.22Å; I1300-L1303 PolarHBondContact O-N 3.42Å; L1303-S1305 VanDerWaalsContact C-N 3.3Å; L1303-S1305 PolarHBondContact O-N 3.13Å; L1303-L1306 PolarHBondContact O-N 2.9Å; L1303-L1307 HydrophobicContact CG-CD1 4.34Å; L1303-L1307 WeakPolarHBondContact O-CB 3.5Å; L1303-L1307 WeakPolarHBondContact O-CG 3.22Å; L1303-L1307 PolarHBondContact O-N 3.13Å |
| 1304 | E | 79 | Confident | 75.9 | Confident | 91 Ų | 91 | 94 Ų | 94 | 43% | 0.425 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.3 | -44.6 | 172.1 | -74.3 | 162.7 | 175.3 | 0 | 0 | 110.1 | R1292 I1300 R1301 L1307 E1308 | R1292-E1304 IonicContact NH2-OE1 3.58Å; I1300-E1304 HydrophobicContact CG2-CG 4.37Å; I1300-E1304 WeakPolarHBondContact CG2-OE1 3.39Å; I1300-E1304 WeakPolarHBondContact O-CB 3.24Å; I1300-E1304 WeakPolarHBondContact O-CG 3.08Å; I1300-E1304 PolarHBondContact O-N 3.16Å; R1301-E1304 VanDerWaalsContact CG-OE2 3.27Å; R1301-E1304 WeakPolarHBondContact CG-OE2 3.47Å; E1304-L1307 PolarHBondContact O-N 2.94Å; E1304-E1308 WeakPolarHBondContact O-CB 3.43Å; E1304-E1308 PolarHBondContact O-N 3.42Å |
| 1305 | S | 81.4 | Confident | 76.3 | Confident | 55 Ų | 55 | 94.7 Ų | 94.7 | 39% | 0.385 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 176 | -173.9 | 0 | 0 | 0 | 0 | 113.2 | R1301 E1302 L1303 E1308 N1309 | R1301-S1305 VanDerWaalsContact O-CB 3.29Å; R1301-S1305 WeakPolarHBondContact O-CB 3.24Å; R1301-S1305 PolarHBondContact O-N 3.34Å; E1302-S1305 PolarHBondContact O-N 2.93Å; L1303-S1305 VanDerWaalsContact C-N 3.3Å; L1303-S1305 PolarHBondContact O-N 3.13Å; S1305-E1308 PolarHBondContact O-N 3.48Å; S1305-N1309 VanDerWaalsContact O-CB 3.3Å; S1305-N1309 WeakPolarHBondContact O-CB 3.41Å; S1305-N1309 VanDerWaalsContact O-CG 3.28Å; S1305-N1309 PolarHBondContact O-N 3Å; S1305-N1309 PolarHBondContact O-ND2 3.12Å; S1305-N1309 PolarHBondContact OG-ND2 3.37Å |
| 1306 | L | 82.5 | Confident | 76.8 | Confident | 107 Ų | 107 | 92.7 Ų | 92.7 | 56% | 0.56 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.9 | -40.7 | 174.7 | -75.7 | 167.1 | 0 | 0 | 0 | 111.7 | E1302 L1303 Q1310 | E1302-L1306 WeakPolarHBondContact O-CB 3.38Å; E1302-L1306 VanDerWaalsContact O-CG 3.3Å; E1302-L1306 WeakPolarHBondContact O-CG 3.43Å; E1302-L1306 PolarHBondContact O-N 3.01Å; L1303-L1306 PolarHBondContact O-N 2.9Å; L1306-Q1310 VanDerWaalsContact O-CB 3.29Å; L1306-Q1310 WeakPolarHBondContact O-CB 3.44Å; L1306-Q1310 PolarHBondContact O-N 3.01Å |
| 1307 | L | 78.6 | Confident | 76.9 | Confident | 113 Ų | 113 | 93.9 Ų | 93.9 | 59% | 0.592 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.2 | -38.5 | 174.7 | -73.9 | 165.8 | 0 | 0 | 0 | 112.2 | L1303 E1304 Q1310 S1311 | L1303-L1307 HydrophobicContact CG-CD1 4.34Å; L1303-L1307 WeakPolarHBondContact O-CB 3.5Å; L1303-L1307 WeakPolarHBondContact O-CG 3.22Å; L1303-L1307 PolarHBondContact O-N 3.13Å; E1304-L1307 PolarHBondContact O-N 2.94Å; L1307-Q1310 PolarHBondContact O-N 2.83Å; L1307-S1311 WeakPolarHBondContact O-CB 3.39Å; L1307-S1311 PolarHBondContact O-N 2.93Å |
| 1308 | E | 82.2 | Confident | 76.6 | Confident | 131 Ų | 131 | 97.8 Ų | 97.8 | 61% | 0.612 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.3 | -43.4 | 175.6 | -170.2 | 166.6 | -131.6 | 0 | 0 | 111.5 | E1304 S1305 Q1310 S1311 I1312 | E1304-E1308 WeakPolarHBondContact O-CB 3.43Å; E1304-E1308 PolarHBondContact O-N 3.42Å; S1305-E1308 PolarHBondContact O-N 3.48Å; E1308-Q1310 PolarHBondContact O-N 3.49Å; E1308-S1311 WeakPolarHBondContact O-CB 3.5Å; E1308-S1311 PolarHBondContact O-N 3.35Å; E1308-I1312 HydrophobicContact CG-CD1 4.17Å; E1308-I1312 VanDerWaalsContact O-CG1 3.27Å; E1308-I1312 WeakPolarHBondContact O-CG1 3.47Å; E1308-I1312 PolarHBondContact O-N 2.64Å |
| 1309 | N | 82.2 | Confident | 76.3 | Confident | 78 Ų | 78 | 96.7 Ų | 96.7 | 42% | 0.417 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 172.9 | -77 | -51.4 | 0 | 0 | 0 | 112.2 | S1305 I1312 H1313 | S1305-N1309 VanDerWaalsContact O-CB 3.3Å; S1305-N1309 WeakPolarHBondContact O-CB 3.41Å; S1305-N1309 VanDerWaalsContact O-CG 3.28Å; S1305-N1309 PolarHBondContact O-N 3Å; S1305-N1309 PolarHBondContact O-ND2 3.12Å; S1305-N1309 PolarHBondContact OG-ND2 3.37Å; N1309-I1312 PolarHBondContact O-N 3Å; N1309-H1313 WeakPolarHBondContact O-CB 3.35Å; N1309-H1313 PolarHBondContact O-CD2 2.96Å; N1309-H1313 PolarHBondContact O-N 3.34Å |
| 1310 | Q | 78.8 | Confident | 75.9 | Confident | 102 Ų | 102 | 100.4 Ų | 100.4 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 173.8 | -178.9 | 63 | 23 | 0 | 0 | 111 | L1306 L1307 E1308 I1312 H1313 E1314 | L1306-Q1310 VanDerWaalsContact O-CB 3.29Å; L1306-Q1310 WeakPolarHBondContact O-CB 3.44Å; L1306-Q1310 PolarHBondContact O-N 3.01Å; L1307-Q1310 PolarHBondContact O-N 2.83Å; E1308-Q1310 PolarHBondContact O-N 3.49Å; Q1310-I1312 VanDerWaalsContact C-N 3.29Å; Q1310-I1312 PolarHBondContact O-N 3.18Å; Q1310-H1313 PolarHBondContact O-N 2.92Å; Q1310-E1314 PolarHBondContact NE2-OE1 2.89Å; Q1310-E1314 WeakPolarHBondContact O-CB 3.41Å; Q1310-E1314 WeakPolarHBondContact O-CG 3.41Å; Q1310-E1314 PolarHBondContact O-N 3.17Å |
| 1311 | S | 78 | Confident | 75.2 | Confident | 43 Ų | 43 | 102 Ų | 102 | 30% | 0.301 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -37.3 | 174.9 | -169.2 | 0 | 0 | 0 | 0 | 112.4 | L1307 E1308 K1315 | L1307-S1311 WeakPolarHBondContact O-CB 3.39Å; L1307-S1311 PolarHBondContact O-N 2.93Å; E1308-S1311 WeakPolarHBondContact O-CB 3.5Å; E1308-S1311 PolarHBondContact O-N 3.35Å; S1311-K1315 WeakPolarHBondContact O-CB 3.43Å; S1311-K1315 VanDerWaalsContact O-CD 3.28Å; S1311-K1315 WeakPolarHBondContact O-CD 3.37Å; S1311-K1315 WeakPolarHBondContact O-CG 3.21Å; S1311-K1315 PolarHBondContact O-N 2.84Å; S1311-K1315 VanDerWaalsContact O-N 3.07Å; S1311-K1315 PolarHBondContact OG-NZ 2.96Å |
| 1312 | I | 80.1 | Confident | 74.3 | Confident | 78 Ų | 78 | 100.8 Ų | 100.8 | 40% | 0.4 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.5 | -44.9 | 174.4 | -70.3 | 163.6 | 0 | 0 | 0 | 110.6 | E1308 N1309 Q1310 E1314 K1315 L1316 | E1308-I1312 HydrophobicContact CG-CD1 4.17Å; E1308-I1312 VanDerWaalsContact O-CG1 3.27Å; E1308-I1312 WeakPolarHBondContact O-CG1 3.47Å; E1308-I1312 PolarHBondContact O-N 2.64Å; N1309-I1312 PolarHBondContact O-N 3Å; Q1310-I1312 VanDerWaalsContact C-N 3.29Å; Q1310-I1312 PolarHBondContact O-N 3.18Å; I1312-E1314 PolarHBondContact O-N 3.05Å; I1312-K1315 PolarHBondContact O-N 3.11Å; I1312-L1316 HydrophobicContact CG2-CD1 3.77Å; I1312-L1316 HydrophobicContact CG2-CG 4.3Å; I1312-L1316 WeakPolarHBondContact O-CB 3.25Å; I1312-L1316 VanDerWaalsContact O-CG 3.29Å; I1312-L1316 WeakPolarHBondContact O-CG 3.28Å; I1312-L1316 PolarHBondContact O-N 3.2Å |
| 1313 | H | 78.1 | Confident | 73.2 | Confident | 127 Ų | 127 | 100 Ų | 100 | 59% | 0.588 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.1 | -41.3 | 176.5 | -92.9 | -67.3 | 0 | 0 | 0 | 112.8 | N1309 Q1310 L1316 A1317 | N1309-H1313 WeakPolarHBondContact O-CB 3.35Å; N1309-H1313 PolarHBondContact O-CD2 2.96Å; N1309-H1313 PolarHBondContact O-N 3.34Å; Q1310-H1313 PolarHBondContact O-N 2.92Å; H1313-L1316 PolarHBondContact O-N 2.87Å; H1313-A1317 VanDerWaalsContact O-CB 3.32Å; H1313-A1317 WeakPolarHBondContact O-CB 3.1Å; H1313-A1317 PolarHBondContact O-N 2.88Å |
| 1314 | E | 73.8 | Confident | 72.2 | Confident | 99 Ų | 99 | 97.5 Ų | 97.5 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 174.3 | -74.3 | 171.8 | -168.4 | 0 | 0 | 111.1 | Q1310 I1312 L1316 A1317 W1318 | Q1310-E1314 PolarHBondContact NE2-OE1 2.89Å; Q1310-E1314 WeakPolarHBondContact O-CB 3.41Å; Q1310-E1314 WeakPolarHBondContact O-CG 3.41Å; Q1310-E1314 PolarHBondContact O-N 3.17Å; I1312-E1314 PolarHBondContact O-N 3.05Å; E1314-L1316 VanDerWaalsContact C-N 3.32Å; E1314-L1316 PolarHBondContact O-N 3.43Å; E1314-A1317 PolarHBondContact O-N 3.44Å; E1314-W1318 WeakPolarHBondContact O-CB 3.35Å; E1314-W1318 PolarHBondContact O-N 3.41Å |
| 1315 | K | 75.3 | Confident | 70.7 | Confident | 138 Ų | 138 | 97.4 Ų | 97.4 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.6 | -37.9 | 175.4 | -73.5 | 163.3 | -174.9 | 150.5 | 0 | 112.9 | S1311 I1312 A1319 | S1311-K1315 WeakPolarHBondContact O-CB 3.43Å; S1311-K1315 VanDerWaalsContact O-CD 3.28Å; S1311-K1315 WeakPolarHBondContact O-CD 3.37Å; S1311-K1315 WeakPolarHBondContact O-CG 3.21Å; S1311-K1315 PolarHBondContact O-N 2.84Å; S1311-K1315 VanDerWaalsContact O-N 3.07Å; S1311-K1315 PolarHBondContact OG-NZ 2.96Å; I1312-K1315 PolarHBondContact O-N 3.11Å; K1315-A1319 WeakPolarHBondContact O-CB 3.34Å; K1315-A1319 PolarHBondContact O-N 3.35Å |
| 1316 | L | 77.1 | Confident | 69.1 | Low | 98 Ų | 98 | 101.5 Ų | 101.5 | 51% | 0.513 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.3 | -42.4 | 176.5 | -73.8 | 171.7 | 0 | 0 | 0 | 111.9 | I1312 H1313 E1314 W1318 A1319 E1320 | I1312-L1316 HydrophobicContact CG2-CD1 3.77Å; I1312-L1316 HydrophobicContact CG2-CG 4.3Å; I1312-L1316 WeakPolarHBondContact O-CB 3.25Å; I1312-L1316 VanDerWaalsContact O-CG 3.29Å; I1312-L1316 WeakPolarHBondContact O-CG 3.28Å; I1312-L1316 PolarHBondContact O-N 3.2Å; H1313-L1316 PolarHBondContact O-N 2.87Å; E1314-L1316 VanDerWaalsContact C-N 3.32Å; E1314-L1316 PolarHBondContact O-N 3.43Å; L1316-W1318 VanDerWaalsContact C-N 3.33Å; L1316-W1318 PolarHBondContact O-N 3.15Å; L1316-A1319 CarbonylContact O-C 3.57Å; L1316-A1319 PolarHBondContact O-N 2.95Å; L1316-E1320 PolarHBondContact O-N 3.19Å |
| 1317 | A | 71.3 | Confident | 67.4 | Low | 53 Ų | 53 | 100.3 Ų | 100.3 | 44% | 0.438 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H1313 E1314 A1321 | H1313-A1317 VanDerWaalsContact O-CB 3.32Å; H1313-A1317 WeakPolarHBondContact O-CB 3.1Å; H1313-A1317 PolarHBondContact O-N 2.88Å; E1314-A1317 PolarHBondContact O-N 3.44Å; A1317-A1321 PolarHBondContact O-N 3.22Å; A1317-A1321 VanDerWaalsContact O-N 3.08Å |
| 1318 | W | 65.1 | Low | 66 | Low | 170 Ų | 170 | 102.5 Ų | 102.5 | 64% | 0.644 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.7 | -40.3 | 171.7 | -75.4 | 46.9 | 0 | 0 | 0 | 111.1 | E1314 L1316 A1321 D1322 | E1314-W1318 WeakPolarHBondContact O-CB 3.35Å; E1314-W1318 PolarHBondContact O-N 3.41Å; L1316-W1318 VanDerWaalsContact C-N 3.33Å; L1316-W1318 PolarHBondContact O-N 3.15Å; W1318-A1321 PolarHBondContact O-N 3.44Å; W1318-D1322 PolarHBondContact O-N 3.25Å |
| 1319 | A | 65 | Low | 64 | Low | 45 Ų | 45 | 100.3 Ų | 100.3 | 37% | 0.372 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.3 | -36.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1315 L1316 T1323 | K1315-A1319 WeakPolarHBondContact O-CB 3.34Å; K1315-A1319 PolarHBondContact O-N 3.35Å; L1316-A1319 CarbonylContact O-C 3.57Å; L1316-A1319 PolarHBondContact O-N 2.95Å; A1319-T1323 VanDerWaalsContact O-CB 3.31Å; A1319-T1323 WeakPolarHBondContact O-CB 3.42Å; A1319-T1323 PolarHBondContact O-N 3.23Å; A1319-T1323 PolarHBondContact O-OG1 2.8Å |
| 1320 | E | 63.6 | Low | 62.3 | Low | 152 Ų | 152 | 105 Ų | 105 | 71% | 0.71 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.7 | -41.6 | 171.3 | -79.3 | -170.7 | 128.3 | 0 | 0 | 111.5 | L1316 T1323 S1324 | L1316-E1320 PolarHBondContact O-N 3.19Å; E1320-T1323 PolarHBondContact O-N 3.21Å; E1320-S1324 WeakPolarHBondContact O-CB 3.33Å; E1320-S1324 PolarHBondContact O-N 3.2Å; E1320-S1324 VanDerWaalsContact O-N 3.16Å |
| 1321 | A | 59.1 | Low | 60.5 | Low | 64 Ų | 64 | 104.5 Ų | 104.5 | 53% | 0.529 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.6 | -48.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1317 W1318 T1323 S1324 | A1317-A1321 PolarHBondContact O-N 3.22Å; A1317-A1321 VanDerWaalsContact O-N 3.08Å; W1318-A1321 PolarHBondContact O-N 3.44Å; A1321-T1323 VanDerWaalsContact C-N 3.28Å; A1321-T1323 PolarHBondContact O-N 3.21Å; A1321-S1324 PolarHBondContact O-N 2.97Å; A1321-S1324 PolarHBondContact O-OG 3.3Å |
| 1322 | D | 55.9 | Low | 58.9 | Low | 141 Ų | 141 | 111 Ų | 111 | 75% | 0.754 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.6 | -28 | 179.4 | -77.5 | -21.8 | 0 | 0 | 0 | 112.9 | W1318 | W1318-D1322 PolarHBondContact O-N 3.25Å |
| 1323 | T | 55.9 | Low | 57.2 | Low | 112 Ų | 112 | 115.7 Ų | 115.7 | 69% | 0.687 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -87.5 | -13.7 | 179.8 | -46.9 | 0 | 0 | 0 | 0 | 112.8 | A1319 E1320 A1321 A1325 | A1319-T1323 VanDerWaalsContact O-CB 3.31Å; A1319-T1323 WeakPolarHBondContact O-CB 3.42Å; A1319-T1323 PolarHBondContact O-N 3.23Å; A1319-T1323 PolarHBondContact O-OG1 2.8Å; E1320-T1323 PolarHBondContact O-N 3.21Å; A1321-T1323 VanDerWaalsContact C-N 3.28Å; A1321-T1323 PolarHBondContact O-N 3.21Å; T1323-A1325 VanDerWaalsContact C-N 3.3Å; T1323-A1325 PolarHBondContact O-N 2.76Å |
| 1324 | S | 52.7 | Low | 55.7 | Low | 51 Ų | 51 | 115.5 Ų | 115.5 | 36% | 0.357 | 65% | 0.648 | S | S | . | * | trans | -80.4 | 63.4 | -176.2 | 78.7 | 0 | 0 | 0 | 0 | 114.2 | E1320 A1321 D1326 S1327 | E1320-S1324 WeakPolarHBondContact O-CB 3.33Å; E1320-S1324 PolarHBondContact O-N 3.2Å; E1320-S1324 VanDerWaalsContact O-N 3.16Å; A1321-S1324 PolarHBondContact O-N 2.97Å; A1321-S1324 PolarHBondContact O-OG 3.3Å; S1324-D1326 PolarHBondContact O-N 3.01Å; S1324-D1326 VanDerWaalsContact O-N 3.08Å; S1324-S1327 VanDerWaalsContact CB-OG 3.22Å; S1324-S1327 WeakPolarHBondContact CB-OG 3.35Å; S1324-S1327 WeakPolarHBondContact O-CB 3.41Å; S1324-S1327 PolarHBondContact O-N 2.78Å; S1324-S1327 PolarHBondContact O-OG 2.83Å; S1324-S1327 WeakPolarHBondContact OG-CB 3.13Å; S1324-S1327 PolarHBondContact OG-OG 2.74Å | ||
| 1325 | A | 48.6 | Very low | 54.5 | Low | 88 Ų | 88 | 116.1 Ų | 116.1 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -25.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | T1323 | T1323-A1325 VanDerWaalsContact C-N 3.3Å; T1323-A1325 PolarHBondContact O-N 2.76Å |
| 1326 | D | 46.9 | Very low | 53.4 | Low | 142 Ų | 142 | 114.5 Ų | 114.5 | 76% | 0.759 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -9.5 | 178.7 | -75.9 | -47.8 | 0 | 0 | 0 | 114.7 | S1324 L1328 S1329 | S1324-D1326 PolarHBondContact O-N 3.01Å; S1324-D1326 VanDerWaalsContact O-N 3.08Å; D1326-L1328 PolarHBondContact O-N 3.29Å; D1326-S1329 PolarHBondContact O-N 2.98Å; D1326-S1329 PolarHBondContact O-OG 3.38Å |
| 1327 | S | 47.5 | Very low | 52.2 | Low | 81 Ų | 81 | 115.7 Ų | 115.7 | 57% | 0.566 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -65.5 | -6.3 | -175.4 | -64.2 | 0 | 0 | 0 | 0 | 115 | S1324 S1329 | S1324-S1327 VanDerWaalsContact CB-OG 3.22Å; S1324-S1327 WeakPolarHBondContact CB-OG 3.35Å; S1324-S1327 WeakPolarHBondContact O-CB 3.41Å; S1324-S1327 PolarHBondContact O-N 2.78Å; S1324-S1327 PolarHBondContact O-OG 2.83Å; S1324-S1327 WeakPolarHBondContact OG-CB 3.13Å; S1324-S1327 PolarHBondContact OG-OG 2.74Å; S1327-S1329 PolarHBondContact O-N 3.48Å |
| 1328 | L | 47.8 | Very low | 51.4 | Low | 159 Ų | 159 | 119.4 Ų | 119.4 | 83% | 0.832 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -81.4 | 4.6 | 177.2 | -68.7 | 171.5 | 0 | 0 | 0 | 114 | D1326 | D1326-L1328 PolarHBondContact O-N 3.29Š|
| 1329 | S | 41.6 | Very low | 51 | Low | 85 Ų | 85 | 116.2 Ų | 116.2 | 59% | 0.594 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -108.8 | -9.4 | -168.2 | 63.1 | 0 | 0 | 0 | 0 | 116.6 | D1326 S1327 A1331 | D1326-S1329 PolarHBondContact O-N 2.98Å; D1326-S1329 PolarHBondContact O-OG 3.38Å; S1327-S1329 PolarHBondContact O-N 3.48Å; S1329-A1331 WeakPolarHBondContact O-CB 3.48Å |
| 1330 | H | 45.7 | Very low | 50.5 | Low | 177 Ų | 177 | 117.3 Ų | 117.3 | 82% | 0.819 | 70% | 0.697 | S | S | * | * | trans | -87.3 | 100.5 | 168.1 | -83.2 | -73.7 | 0 | 0 | 0 | 109.3 | ||||
| 1331 | A | 41 | Very low | 50.4 | Low | 92 Ų | 92 | 116.7 Ų | 116.7 | 76% | 0.76 | 69% | 0.694 | S | S | * | * | 66.7 | 27.5 | 52.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | S1329 | S1329-A1331 WeakPolarHBondContact O-CB 3.48Š| |||
| 1332 | Q | 44 | Very low | 50.6 | Low | 180 Ų | 180 | 119 Ų | 119 | 84% | 0.841 | 69% | 0.693 | S | S | * | * | trans | -123 | 92.4 | 139.4 | -163.8 | 164 | 17.2 | 0 | 0 | 108.4 | C1334 | Q1332-C1334 PolarHBondContact O-N 2.91Å; Q1332-C1334 VanDerWaalsContact O-N 3.15Å | ||
| 1333 | E | 44.5 | Very low | 51.2 | Low | 175 Ų | 175 | 116.3 Ų | 116.3 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | -63.3 | 114.9 | 176.7 | -169.1 | 171.5 | -139 | 0 | 0 | 108.4 | V1335 | E1333-V1335 PolarHBondContact O-N 3.44Š| ||
| 1334 | C | 47 | Very low | 52.2 | Low | 123 Ų | 123 | 113.8 Ų | 113.8 | 83% | 0.831 | 66% | 0.655 | S | S | * | * | trans | -68.2 | 84.3 | 172.6 | -75.6 | 0 | 0 | 0 | 0 | 108.8 | Q1332 | Q1332-C1334 PolarHBondContact O-N 2.91Å; Q1332-C1334 VanDerWaalsContact O-N 3.15Å | ||
| 1335 | V | 49.6 | Very low | 53.6 | Low | 113 Ų | 113 | 111.7 Ų | 111.7 | 69% | 0.685 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -48 | 123 | 170.2 | -176.4 | 0 | 0 | 0 | 0 | 107.2 | E1333 | E1333-V1335 PolarHBondContact O-N 3.44Š|
| 1336 | P | 52.1 | Low | 55.3 | Low | 103 Ų | 103 | 107.6 Ų | 107.6 | 67% | 0.669 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 134.5 | 179.7 | 23.5 | -33.4 | 0 | 0 | 0 | 108.4 | T1338 | P1336-T1338 PolarHBondContact O-N 2.96Š|
| 1337 | P | 52.3 | Low | 57.2 | Low | 124 Ų | 124 | 105.3 Ų | 105.3 | 81% | 0.805 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 130.9 | -177.1 | 22.1 | -32.9 | 0 | 0 | 0 | 109.1 | V1339 | P1337-V1339 PolarHBondContact O-N 3.18Š|
| 1338 | T | 54.6 | Low | 58.9 | Low | 130 Ų | 130 | 104.7 Ų | 104.7 | 80% | 0.798 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 130.9 | -176.4 | 48.6 | 0 | 0 | 0 | 0 | 109.9 | P1336 C1340 | P1336-T1338 PolarHBondContact O-N 2.96Å; T1338-C1340 PolarHBondContact O-N 3.34Å |
| 1339 | V | 54.9 | Low | 60.8 | Low | 104 Ų | 104 | 97.8 Ų | 97.8 | 63% | 0.63 | 54% | 0.541 | S | S | * | . | trans | -45 | 106.1 | -172.8 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | P1337 | P1337-V1339 PolarHBondContact O-N 3.18Š| ||
| 1340 | C | 56.1 | Low | 63 | Low | 68 Ų | 68 | 93.8 Ų | 93.8 | 46% | 0.459 | 51% | 0.513 | S | S | . | . | trans | -81.1 | 126.2 | -179.2 | -174 | 0 | 0 | 0 | 0 | 108.3 | T1338 E1342 F1343 | T1338-C1340 PolarHBondContact O-N 3.34Å; C1340-E1342 VanDerWaalsContact C-N 3.34Å; C1340-E1342 PolarHBondContact SG-N 3.21Å; C1340-E1342 VanDerWaalsContact SG-N 3.43Å; C1340-F1343 WeakPolarHBondContact O-CE2 3.42Å; C1340-F1343 WeakPolarHBondContact O-CZ 3.3Å | ||
| 1341 | H | 60.4 | Low | 64.8 | Low | 139 Ų | 139 | 88.6 Ų | 88.6 | 64% | 0.644 | 50% | 0.497 | S | S | * | . | trans | -87.2 | -6.8 | 175.1 | -60 | -67.4 | 0 | 0 | 0 | 112.6 | F1343 | H1341-F1343 PolarHBondContact O-N 2.9Š| ||
| 1342 | E | 63.8 | Low | 66.9 | Low | 112 Ų | 112 | 90.3 Ų | 90.3 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | trans | -96.7 | 61.1 | -170.4 | -53.7 | -154.3 | 127.7 | 0 | 0 | 113.5 | C1340 H1344 R1726 | C1340-E1342 VanDerWaalsContact C-N 3.34Å; C1340-E1342 PolarHBondContact SG-N 3.21Å; C1340-E1342 VanDerWaalsContact SG-N 3.43Å; E1342-H1344 PolarHBondContact O-ND1 3.45Å; E1342-R1726 IonicContact OE1-CZ 2.87Å; E1342-R1726 VanDerWaalsContact OE1-CZ 3.26Å; E1342-R1726 IonicContact OE1-NH1 3.78Å; E1342-R1726 PolarHBondContact OE1-NH1 3.01Å; E1342-R1726 IonicContact OE1-NH2 3.21Å; E1342-R1726 PolarHBondContact OE1-NH2 3.39Å; E1342-R1726 IonicContact OE2-CZ 3.31Å; E1342-R1726 IonicContact OE2-NH2 3.31Å; E1342-R1726 PolarHBondContact OE2-NH2 3Å | ||
| 1343 | F | 68.1 | Low | 68.7 | Low | 85 Ų | 85 | 86.9 Ų | 86.9 | 37% | 0.373 | 47% | 0.471 | S | S | . | . | trans | -81 | 122.2 | -179.9 | -61.3 | -63.3 | 0 | 0 | 0 | 113.2 | P1213 C1340 H1341 A1345 | P1213-F1343 HydrophobicContact CB-CB 3.93Å; P1213-F1343 HydrophobicContact CB-CD1 4.12Å; P1213-F1343 HydrophobicContact CB-CD2 3.97Å; P1213-F1343 HydrophobicContact CB-CG 3.75Å; P1213-F1343 HydrophobicContact CG-CB 4.44Å; P1213-F1343 HydrophobicContact CG-CD1 3.73Å; P1213-F1343 HydrophobicContact CG-CD2 3.77Å; P1213-F1343 HydrophobicContact CG-CE1 3.79Å; P1213-F1343 HydrophobicContact CG-CE2 3.82Å; P1213-F1343 HydrophobicContact CG-CG 3.72Å; P1213-F1343 HydrophobicContact CG-CZ 3.83Å; C1340-F1343 WeakPolarHBondContact O-CE2 3.42Å; C1340-F1343 WeakPolarHBondContact O-CZ 3.3Å; H1341-F1343 PolarHBondContact O-N 2.9Å; F1343-A1345 PolarHBondContact O-N 2.8Å | ||
| 1344 | H | 77.1 | Confident | 70.5 | Confident | 59 Ų | 59 | 80.6 Ų | 80.6 | 27% | 0.273 | 45% | 0.453 | S | S | . | . | trans | -85.4 | 62.8 | 171.4 | -64.7 | 68.1 | 0 | 0 | 0 | 110.1 | E1202 E1342 A1346 R1347 L1348 | E1202-H1344 VanDerWaalsContact OE1-CA 3.3Å; E1202-H1344 WeakPolarHBondContact OE1-CA 3.25Å; E1342-H1344 PolarHBondContact O-ND1 3.45Å; H1344-A1346 VanDerWaalsContact C-N 3.26Å; H1344-A1346 PolarHBondContact O-N 3.18Å; H1344-R1347 PolarHBondContact O-N 2.89Å; H1344-R1347 VanDerWaalsContact O-N 3.12Å; H1344-L1348 PolarHBondContact O-N 2.98Å | ||
| 1345 | A | 82.3 | Confident | 72.2 | Confident | 7 Ų | 7 | 76.7 Ų | 76.7 | 6% | 0.058 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.6 | -28.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1202 T1214 V1215 F1343 L1348 F1349 | E1202-A1345 PolarHBondContact OE1-N 2.95Å; T1214-A1345 WeakPolarHBondContact O-CB 3.46Å; V1215-A1345 HydrophobicContact CB-CB 3.85Å; V1215-A1345 HydrophobicContact CG1-CB 4.36Å; F1343-A1345 PolarHBondContact O-N 2.8Å; A1345-L1348 PolarHBondContact O-N 2.9Å; A1345-F1349 PolarHBondContact O-N 2.95Å |
| 1346 | A | 85.1 | Confident | 73.6 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 2% | 0.017 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1200 E1202 V1215 H1344 L1348 F1349 L1350 | L1200-A1346 HydrophobicContact CB-CB 4.05Å; L1200-A1346 HydrophobicContact CD1-CB 4.31Å; L1200-A1346 HydrophobicContact CD2-CB 3.94Å; L1200-A1346 HydrophobicContact CG-CB 4.33Å; E1202-A1346 VanDerWaalsContact CD-CB 3.47Å; E1202-A1346 HydrophobicContact CG-CB 3.68Å; E1202-A1346 VanDerWaalsContact OE1-CB 3.29Å; E1202-A1346 WeakPolarHBondContact OE1-CB 3.41Å; E1202-A1346 PolarHBondContact OE1-N 3.18Å; V1215-A1346 HydrophobicContact CG2-CB 4.3Å; H1344-A1346 VanDerWaalsContact C-N 3.26Å; H1344-A1346 PolarHBondContact O-N 3.18Å; A1346-L1348 VanDerWaalsContact C-N 3.33Å; A1346-F1349 PolarHBondContact O-N 3.07Å; A1346-L1350 WeakPolarHBondContact O-CB 3.46Å; A1346-L1350 VanDerWaalsContact O-CG 3.28Å; A1346-L1350 WeakPolarHBondContact O-CG 3.43Å; A1346-L1350 PolarHBondContact O-N 2.92Å |
| 1347 | R | 85.4 | Confident | 74.3 | Confident | 94 Ų | 94 | 69.7 Ų | 69.7 | 36% | 0.355 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.6 | -35.4 | 176.4 | -158.1 | -169.6 | 79.4 | -146.4 | 0.8 | 111.5 | H1344 S1351 L1356 F1724 | H1344-R1347 PolarHBondContact O-N 2.89Å; H1344-R1347 VanDerWaalsContact O-N 3.12Å; R1347-S1351 WeakPolarHBondContact O-CB 3.36Å; R1347-S1351 PolarHBondContact O-N 3.36Å; R1347-L1356 HydrophobicContact CG-CD1 3.71Å; R1347-F1724 VanDerWaalsContact NH1-CZ 3.26Å |
| 1348 | L | 83.3 | Confident | 74.8 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 36% | 0.356 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.9 | -45.6 | 175.5 | -170.2 | 119.8 | 0 | 0 | 0 | 111.3 | L1232 H1344 A1345 A1346 S1351 H1352 | L1232-L1348 HydrophobicContact CD1-CD2 4.14Å; L1232-L1348 HydrophobicContact CD2-CD1 4.22Å; L1232-L1348 HydrophobicContact CD2-CD2 3.95Å; L1232-L1348 HydrophobicContact CG-CD2 4.45Å; H1344-L1348 PolarHBondContact O-N 2.98Å; A1345-L1348 PolarHBondContact O-N 2.9Å; A1346-L1348 VanDerWaalsContact C-N 3.33Å; L1348-S1351 PolarHBondContact O-N 2.96Å; L1348-H1352 WeakPolarHBondContact O-CB 3.5Å; L1348-H1352 PolarHBondContact O-CD2 3.25Å; L1348-H1352 VanDerWaalsContact O-CG 3.32Å; L1348-H1352 PolarHBondContact O-N 3Å |
| 1349 | F | 87.8 | Confident | 74.7 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -55.4 | -54.7 | 171 | 167.8 | -94 | 0 | 0 | 0 | 111.8 | L1200 V1215 L1217 M1230 A1345 A1346 S1351 H1352 F1353 F1355 | L1200-F1349 HydrophobicContact CD2-CD1 3.89Å; L1200-F1349 HydrophobicContact CD2-CE1 4.43Å; L1200-F1349 HydrophobicContact CD2-CG 4.45Å; V1215-F1349 HydrophobicContact CG1-CB 4.26Å; L1217-F1349 HydrophobicContact CD2-CD1 3.98Å; L1217-F1349 HydrophobicContact CD2-CD2 4.2Å; L1217-F1349 HydrophobicContact CD2-CE1 3.52Å; L1217-F1349 HydrophobicContact CD2-CE2 3.73Å; L1217-F1349 HydrophobicContact CD2-CG 4.33Å; L1217-F1349 HydrophobicContact CD2-CZ 3.39Å; M1230-F1349 HydrophobicContact SD-CD2 3.61Å; M1230-F1349 HydrophobicContact SD-CE2 3.75Å; A1345-F1349 PolarHBondContact O-N 2.95Å; A1346-F1349 PolarHBondContact O-N 3.07Å; F1349-S1351 PolarHBondContact O-N 3.16Å; F1349-H1352 PolarHBondContact O-N 3.28Å; F1349-H1352 VanDerWaalsContact O-N 3.15Å; F1349-F1353 AromaticContact CD2-CD2 3.49Å; F1349-F1353 HydrophobicContact CD2-CD2 3.49Å; F1349-F1353 VanDerWaalsContact CD2-CD2 3.49Å; F1349-F1353 AromaticContact CD2-CE2 3.57Å; F1349-F1353 HydrophobicContact CD2-CE2 3.57Å; F1349-F1353 HydrophobicContact CD2-CG 4.42Å; F1349-F1353 HydrophobicContact CE2-CD1 4.46Å; F1349-F1353 AromaticContact CE2-CD2 3.35Å; F1349-F1353 HydrophobicContact CE2-CD2 3.35Å; F1349-F1353 AromaticContact CE2-CE2 3.41Å; F1349-F1353 HydrophobicContact CE2-CE2 3.41Å; F1349-F1353 VanDerWaalsContact CE2-CE2 3.41Å; F1349-F1353 AromaticContact CE2-CG 3.92Å; F1349-F1353 HydrophobicContact CE2-CG 3.92Å; F1349-F1353 HydrophobicContact CE2-CZ 4.02Å; F1349-F1353 HydrophobicContact CG-CD2 4.29Å; F1349-F1353 HydrophobicContact CZ-CD2 4.04Å; F1349-F1353 HydrophobicContact CZ-CE2 4.44Å; F1349-F1353 HydrophobicContact CZ-CG 4.2Å; F1349-F1353 WeakPolarHBondContact O-CD2 3.31Å; F1349-F1353 PolarHBondContact O-N 2.94Å; F1349-F1355 HydrophobicContact CE1-CD2 4.31Å; F1349-F1355 HydrophobicContact CE1-CE2 4.1Å; F1349-F1355 HydrophobicContact CZ-CE2 4.15Å |
| 1350 | L | 88 | Confident | 74.3 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.8 | -30.5 | -177.7 | -69.2 | 171.1 | 0 | 0 | 0 | 112.4 | F1190 L1200 A1346 F1355 L1356 L1378 L1723 | F1190-L1350 HydrophobicContact CE1-CD1 4.47Å; F1190-L1350 HydrophobicContact CE2-CD1 4.22Å; F1190-L1350 HydrophobicContact CZ-CD1 4.14Å; L1200-L1350 HydrophobicContact CD1-CD1 4.1Å; L1200-L1350 HydrophobicContact CD1-CD2 4.17Å; L1200-L1350 HydrophobicContact CD1-CG 4.18Å; A1346-L1350 WeakPolarHBondContact O-CB 3.46Å; A1346-L1350 VanDerWaalsContact O-CG 3.28Å; A1346-L1350 WeakPolarHBondContact O-CG 3.43Å; A1346-L1350 PolarHBondContact O-N 2.92Å; L1350-F1355 HydrophobicContact CB-CB 4.36Å; L1350-F1355 HydrophobicContact CD2-CB 3.97Å; L1350-F1355 HydrophobicContact CD2-CD2 3.84Å; L1350-F1355 HydrophobicContact CD2-CG 4.17Å; L1350-F1355 WeakPolarHBondContact O-CA 3.16Å; L1350-F1355 WeakPolarHBondContact O-CB 3.49Å; L1350-F1355 PolarHBondContact O-N 2.79Å; L1350-L1356 HydrophobicContact CB-CD1 3.91Å; L1350-L1356 HydrophobicContact CB-CD2 4.17Å; L1350-L1356 HydrophobicContact CB-CG 3.77Å; L1350-L1356 PolarHBondContact O-N 3.19Å; L1350-L1356 VanDerWaalsContact O-N 3.15Å; L1350-L1378 HydrophobicContact CD1-CD2 3.79Å; L1350-L1378 HydrophobicContact CD2-CD1 3.96Å; L1350-L1378 HydrophobicContact CD2-CD2 3.81Å; L1350-L1378 HydrophobicContact CG-CD2 4.35Å; L1350-L1723 HydrophobicContact CD1-CD2 3.59Å |
| 1351 | S | 84.2 | Confident | 73.8 | Confident | 68 Ų | 68 | 77.1 Ų | 77.1 | 48% | 0.476 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -73.5 | -45.6 | 173.5 | -162.1 | 0 | 0 | 0 | 0 | 112.6 | R1347 L1348 F1349 F1353 G1354 | R1347-S1351 WeakPolarHBondContact O-CB 3.36Å; R1347-S1351 PolarHBondContact O-N 3.36Å; L1348-S1351 PolarHBondContact O-N 2.96Å; F1349-S1351 PolarHBondContact O-N 3.16Å; S1351-F1353 VanDerWaalsContact C-N 3.33Å; S1351-F1353 PolarHBondContact O-N 3.39Å; S1351-G1354 PolarHBondContact O-N 2.98Å |
| 1352 | H | 83.9 | Confident | 73.1 | Confident | 128 Ų | 128 | 75 Ų | 75 | 59% | 0.593 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -68.4 | -30.9 | -176.9 | -73.2 | -169 | 0 | 0 | 0 | 113.1 | L1348 F1349 G1354 | L1348-H1352 WeakPolarHBondContact O-CB 3.5Å; L1348-H1352 PolarHBondContact O-CD2 3.25Å; L1348-H1352 VanDerWaalsContact O-CG 3.32Å; L1348-H1352 PolarHBondContact O-N 3Å; F1349-H1352 PolarHBondContact O-N 3.28Å; F1349-H1352 VanDerWaalsContact O-N 3.15Å; H1352-G1354 VanDerWaalsContact C-N 3.3Å |
| 1353 | F | 83.3 | Confident | 72.4 | Confident | 108 Ų | 108 | 75.5 Ų | 75.5 | 47% | 0.474 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 12.4 | 174.6 | -76 | -97.2 | 0 | 0 | 0 | 113.4 | M1230 F1349 S1351 F1355 | M1230-F1353 HydrophobicContact CE-CE2 3.89Å; M1230-F1353 HydrophobicContact CE-CZ 3.98Å; M1230-F1353 HydrophobicContact SD-CE2 4.35Å; F1349-F1353 AromaticContact CD2-CD2 3.49Å; F1349-F1353 HydrophobicContact CD2-CD2 3.49Å; F1349-F1353 VanDerWaalsContact CD2-CD2 3.49Å; F1349-F1353 AromaticContact CD2-CE2 3.57Å; F1349-F1353 HydrophobicContact CD2-CE2 3.57Å; F1349-F1353 HydrophobicContact CD2-CG 4.42Å; F1349-F1353 HydrophobicContact CE2-CD1 4.46Å; F1349-F1353 AromaticContact CE2-CD2 3.35Å; F1349-F1353 HydrophobicContact CE2-CD2 3.35Å; F1349-F1353 AromaticContact CE2-CE2 3.41Å; F1349-F1353 HydrophobicContact CE2-CE2 3.41Å; F1349-F1353 VanDerWaalsContact CE2-CE2 3.41Å; F1349-F1353 AromaticContact CE2-CG 3.92Å; F1349-F1353 HydrophobicContact CE2-CG 3.92Å; F1349-F1353 HydrophobicContact CE2-CZ 4.02Å; F1349-F1353 HydrophobicContact CG-CD2 4.29Å; F1349-F1353 HydrophobicContact CZ-CD2 4.04Å; F1349-F1353 HydrophobicContact CZ-CE2 4.44Å; F1349-F1353 HydrophobicContact CZ-CG 4.2Å; F1349-F1353 WeakPolarHBondContact O-CD2 3.31Å; F1349-F1353 PolarHBondContact O-N 2.94Å; S1351-F1353 VanDerWaalsContact C-N 3.33Å; S1351-F1353 PolarHBondContact O-N 3.39Å; F1353-F1355 HydrophobicContact CB-CD2 3.65Å; F1353-F1355 HydrophobicContact CB-CE2 3.5Å; F1353-F1355 HydrophobicContact CB-CZ 4.47Å; F1353-F1355 HydrophobicContact CG-CE2 4.38Å; F1353-F1355 PolarHBondContact O-N 3.03Å |
| 1354 | G | 82.1 | Confident | 71.3 | Confident | 43 Ų | 43 | 79.5 Ų | 79.5 | 44% | 0.443 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | -2.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115.9 | S1351 H1352 L1356 G1357 | S1351-G1354 PolarHBondContact O-N 2.98Å; H1352-G1354 VanDerWaalsContact C-N 3.3Å; G1354-L1356 PolarHBondContact O-N 3.22Å; G1354-L1356 VanDerWaalsContact O-N 3.14Å; G1354-G1357 PolarHBondContact O-N 2.99Å |
| 1355 | F | 81.6 | Confident | 69.8 | Low | 41 Ų | 41 | 80 Ų | 80 | 18% | 0.18 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.5 | 178.4 | -59.3 | -65.6 | 0 | 0 | 0 | 114.1 | T1192 L1198 F1349 L1350 F1353 P1377 L1378 | T1192-F1355 HydrophobicContact CG2-CE1 4.05Å; T1192-F1355 HydrophobicContact CG2-CZ 4.48Å; T1192-F1355 WeakPolarHBondContact OG1-CE1 3.36Å; L1198-F1355 HydrophobicContact CD1-CE2 4.35Å; L1198-F1355 HydrophobicContact CD1-CZ 4.31Å; F1349-F1355 HydrophobicContact CE1-CD2 4.31Å; F1349-F1355 HydrophobicContact CE1-CE2 4.1Å; F1349-F1355 HydrophobicContact CZ-CE2 4.15Å; L1350-F1355 HydrophobicContact CB-CB 4.36Å; L1350-F1355 HydrophobicContact CD2-CB 3.97Å; L1350-F1355 HydrophobicContact CD2-CD2 3.84Å; L1350-F1355 HydrophobicContact CD2-CG 4.17Å; L1350-F1355 WeakPolarHBondContact O-CA 3.16Å; L1350-F1355 WeakPolarHBondContact O-CB 3.49Å; L1350-F1355 PolarHBondContact O-N 2.79Å; F1353-F1355 HydrophobicContact CB-CD2 3.65Å; F1353-F1355 HydrophobicContact CB-CE2 3.5Å; F1353-F1355 HydrophobicContact CB-CZ 4.47Å; F1353-F1355 HydrophobicContact CG-CE2 4.38Å; F1353-F1355 PolarHBondContact O-N 3.03Å; F1355-P1377 WeakPolarHBondContact O-CG 3.47Å; F1355-L1378 HydrophobicContact CB-CD1 4.25Å; F1355-L1378 HydrophobicContact CD1-CD1 4.43Å; F1355-L1378 HydrophobicContact CG-CD1 4.37Å |
| 1356 | L | 79 | Confident | 68 | Low | 22 Ų | 22 | 84.7 Ų | 84.7 | 12% | 0.115 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 12.9 | 170.9 | -52.2 | -179.3 | 0 | 0 | 0 | 113.3 | R1347 L1350 G1354 F1358 L1378 L1723 | R1347-L1356 HydrophobicContact CG-CD1 3.71Å; L1350-L1356 HydrophobicContact CB-CD1 3.91Å; L1350-L1356 HydrophobicContact CB-CD2 4.17Å; L1350-L1356 HydrophobicContact CB-CG 3.77Å; L1350-L1356 PolarHBondContact O-N 3.19Å; L1350-L1356 VanDerWaalsContact O-N 3.15Å; G1354-L1356 PolarHBondContact O-N 3.22Å; G1354-L1356 VanDerWaalsContact O-N 3.14Å; L1356-F1358 WeakPolarHBondContact O-CD2 3.49Å; L1356-F1358 VanDerWaalsContact O-CE2 3.29Å; L1356-F1358 WeakPolarHBondContact O-CE2 3.24Å; L1356-F1358 PolarHBondContact O-N 3.2Å; L1356-L1378 HydrophobicContact CD2-CD2 4.4Å; L1356-L1723 HydrophobicContact CD1-CD1 4.2Å; L1356-L1723 HydrophobicContact CD2-CD1 3.58Å |
| 1357 | G | 67.6 | Low | 66.1 | Low | 48 Ų | 48 | 87.9 Ų | 87.9 | 50% | 0.495 | 48% | 0.476 | S | S | . | . | trans | -76.2 | 97.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G1354 E1359 | G1354-G1357 PolarHBondContact O-N 2.99Å; G1357-E1359 PolarHBondContact O-N 2.78Å | ||
| 1358 | F | 62.6 | Low | 64.2 | Low | 81 Ų | 81 | 89.9 Ų | 89.9 | 36% | 0.355 | 49% | 0.49 | S | S | . | . | trans | -82.6 | 0.7 | 172.9 | -52.4 | -75.1 | 0 | 0 | 0 | 112.9 | L1356 T1360 E1716 L1720 | L1356-F1358 WeakPolarHBondContact O-CD2 3.49Å; L1356-F1358 VanDerWaalsContact O-CE2 3.29Å; L1356-F1358 WeakPolarHBondContact O-CE2 3.24Å; L1356-F1358 PolarHBondContact O-N 3.2Å; F1358-T1360 PolarHBondContact O-N 3.33Å; F1358-E1716 HydrophobicContact CD1-CG 3.9Å; F1358-E1716 HydrophobicContact CE1-CG 3.67Å; F1358-E1716 HydrophobicContact CZ-CG 4.35Å; F1358-L1720 HydrophobicContact CE2-CD1 4.17Å; F1358-L1720 HydrophobicContact CE2-CD2 4.05Å; F1358-L1720 HydrophobicContact CE2-CG 4.4Å; F1358-L1720 HydrophobicContact CZ-CD1 4.27Å; F1358-L1720 HydrophobicContact CZ-CD2 4.08Å; F1358-L1720 HydrophobicContact CZ-CG 4.18Å | ||
| 1359 | E | 52.4 | Low | 62.3 | Low | 183 Ų | 183 | 90.3 Ų | 90.3 | 86% | 0.855 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 79.9 | -169.1 | -62.5 | -167.1 | 161.8 | 0 | 0 | 113.3 | G1357 | G1357-E1359 PolarHBondContact O-N 2.78Š|
| 1360 | T | 46.9 | Very low | 59.8 | Low | 141 Ų | 141 | 96.5 Ų | 96.5 | 87% | 0.865 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -165.2 | 20.4 | 140.6 | 11.8 | 0 | 0 | 0 | 0 | 114.1 | F1358 N1362 | F1358-T1360 PolarHBondContact O-N 3.33Å; T1360-N1362 PolarHBondContact O-N 3.01Å |
| 1361 | R | 46.1 | Very low | 57.2 | Low | 177 Ų | 177 | 99.1 Ų | 99.1 | 67% | 0.668 | 56% | 0.563 | S | S | * | * | trans | -67.7 | 94.7 | 164.4 | -82 | -162.2 | -174.4 | 118.7 | 1.4 | 109.8 | P1363 E1716 | R1361-P1363 VanDerWaalsContact O-CD 3.29Å; R1361-P1363 WeakPolarHBondContact O-CD 3.45Å; R1361-P1363 VanDerWaalsContact O-N 3.16Å; R1361-E1716 IonicContact CZ-OE2 3.25Å; R1361-E1716 VanDerWaalsContact CZ-OE2 3.25Å; R1361-E1716 VanDerWaalsContact NH1-CD 3.26Å; R1361-E1716 IonicContact NH1-OE1 3Å; R1361-E1716 PolarHBondContact NH1-OE1 2.91Å; R1361-E1716 IonicContact NH1-OE2 2.71Å; R1361-E1716 PolarHBondContact NH1-OE2 2.87Å; R1361-E1716 IonicContact NH2-OE2 2.87Å; R1361-E1716 PolarHBondContact NH2-OE2 3.39Å | ||
| 1362 | N | 44.8 | Very low | 55 | Low | 93 Ų | 93 | 100.3 Ų | 100.3 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | trans | -60.5 | 113.7 | 170.2 | -177.4 | -10.5 | 0 | 0 | 0 | 109.1 | T1360 Q1364 N1365 | T1360-N1362 PolarHBondContact O-N 3.01Å; N1362-Q1364 PolarHBondContact O-N 2.75Å; N1362-Q1364 PolarHBondContact OD1-N 3.1Å; N1362-N1365 PolarHBondContact O-N 2.76Å | ||
| 1363 | P | 49.1 | Very low | 52.9 | Low | 123 Ų | 123 | 99 Ų | 99 | 80% | 0.799 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -8.8 | -171.5 | 28.3 | -35.4 | 0 | 0 | 0 | 113.6 | R1361 | R1361-P1363 VanDerWaalsContact O-CD 3.29Å; R1361-P1363 WeakPolarHBondContact O-CD 3.45Å; R1361-P1363 VanDerWaalsContact O-N 3.16Å |
| 1364 | Q | 45.9 | Very low | 51.2 | Low | 170 Ų | 170 | 98.9 Ų | 98.9 | 79% | 0.794 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -9.1 | -176.1 | -62.8 | 179.3 | -8.6 | 0 | 0 | 114.3 | N1362 | N1362-Q1364 PolarHBondContact O-N 2.75Å; N1362-Q1364 PolarHBondContact OD1-N 3.1Å |
| 1365 | N | 44.5 | Very low | 49.7 | Very low | 70 Ų | 70 | 103.5 Ų | 103.5 | 37% | 0.374 | 59% | 0.587 | S | S | . | * | trans | -128.4 | 77.6 | -174.2 | -157.4 | 14.2 | 0 | 0 | 0 | 114.8 | N1362 A1367 E1368 | N1362-N1365 PolarHBondContact O-N 2.76Å; N1365-A1367 PolarHBondContact O-N 3.4Å; N1365-E1368 PolarHBondContact ND2-OE2 3.25Å | ||
| 1366 | P | 45.7 | Very low | 48.6 | Very low | 104 Ų | 104 | 106.9 Ų | 106.9 | 68% | 0.675 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -12.3 | -179.8 | -22.5 | 34.2 | 0 | 0 | 0 | 115.4 | ||
| 1367 | A | 44.3 | Very low | 48.1 | Very low | 69 Ų | 69 | 108.6 Ų | 108.6 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -31.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1365 A1369 L1370 | N1365-A1367 PolarHBondContact O-N 3.4Å; A1367-A1369 PolarHBondContact O-N 2.78Å; A1367-L1370 PolarHBondContact O-N 3.36Å |
| 1368 | E | 46 | Very low | 48.8 | Very low | 137 Ų | 137 | 106.4 Ų | 106.4 | 64% | 0.64 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -72.7 | -18.4 | -178.8 | -70.9 | 175.9 | 127.3 | 0 | 0 | 112.5 | N1365 L1370 G1371 | N1365-E1368 PolarHBondContact ND2-OE2 3.25Å; E1368-L1370 PolarHBondContact O-N 3.26Å; E1368-L1370 VanDerWaalsContact O-N 3.08Å; E1368-G1371 PolarHBondContact O-N 2.85Å |
| 1369 | A | 41.7 | Very low | 50 | Low | 77 Ų | 77 | 104.1 Ų | 104.1 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -68 | -2.8 | 173 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1367 | A1367-A1369 PolarHBondContact O-N 2.78Š|
| 1370 | L | 35.4 | Very low | 51.8 | Low | 143 Ų | 143 | 95.6 Ų | 95.6 | 75% | 0.749 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -115.1 | -1.1 | -176.8 | -80 | 153.6 | 0 | 0 | 0 | 114.1 | A1367 E1368 | A1367-L1370 PolarHBondContact O-N 3.36Å; E1368-L1370 PolarHBondContact O-N 3.26Å; E1368-L1370 VanDerWaalsContact O-N 3.08Å |
| 1371 | G | 33.8 | Very low | 53.9 | Low | 56 Ų | 56 | 89.2 Ų | 89.2 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -115.7 | 94 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1368 | E1368-G1371 PolarHBondContact O-N 2.85Š|
| 1372 | N | 38.2 | Very low | 56 | Low | 92 Ų | 92 | 83.2 Ų | 83.2 | 49% | 0.492 | 48% | 0.482 | S | S | . | . | S | Bend | trans | 64.5 | 129.2 | -167 | -58.2 | -21.6 | 0 | 0 | 0 | 113.1 | P1374 L1556 | N1372-P1374 WeakPolarHBondContact O-CD 3.39Å; N1372-L1556 HydrophobicContact CB-CD2 4.17Å |
| 1373 | P | 39.3 | Very low | 58.1 | Low | 100 Ų | 100 | 80.7 Ų | 80.7 | 65% | 0.649 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 126.2 | 170.8 | 28.7 | -31.7 | 0 | 0 | 0 | 108.5 | Q1375 | P1373-Q1375 PolarHBondContact O-N 3.43Å; P1373-Q1375 VanDerWaalsContact O-N 3.12Å |
| 1374 | P | 47.3 | Very low | 59.8 | Low | 107 Ų | 107 | 82.8 Ų | 82.8 | 70% | 0.695 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 122.5 | 169.2 | 24.6 | -32.3 | 0 | 0 | 0 | 107.5 | N1372 R1376 | N1372-P1374 WeakPolarHBondContact O-CD 3.39Å; P1374-R1376 PolarHBondContact O-N 2.98Å; P1374-R1376 VanDerWaalsContact O-N 3.1Å |
| 1375 | Q | 52.3 | Low | 61.8 | Low | 139 Ų | 139 | 77.3 Ų | 77.3 | 65% | 0.65 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -61 | 120.2 | -179.3 | -65.2 | -168.3 | 24.7 | 0 | 0 | 107.6 | N1194 P1373 | N1194-Q1375 PolarHBondContact ND2-OE1 2.86Å; P1373-Q1375 PolarHBondContact O-N 3.43Å; P1373-Q1375 VanDerWaalsContact O-N 3.12Å |
| 1376 | R | 58.8 | Low | 63.5 | Low | 113 Ų | 113 | 76.8 Ų | 76.8 | 43% | 0.426 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 133.1 | 176.4 | -68 | -173.1 | -175.3 | 166.2 | 2.5 | 108.1 | P1374 L1378 L1714 | P1374-R1376 PolarHBondContact O-N 2.98Å; P1374-R1376 VanDerWaalsContact O-N 3.1Å; R1376-L1378 PolarHBondContact O-N 3.22Å; R1376-L1714 PolarHBondContact NH1-O 3.29Å; R1376-L1714 PolarHBondContact NH2-O 3.38Å |
| 1377 | P | 66.6 | Low | 65.6 | Low | 57 Ų | 57 | 74 Ų | 74 | 37% | 0.37 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -63.6 | -16.7 | -178.7 | 26.2 | -35.4 | 0 | 0 | 0 | 112.7 | T1192 F1355 | T1192-P1377 WeakPolarHBondContact CB-O 3.34Å; T1192-P1377 PolarHBondContact OG1-O 2.61Å; F1355-P1377 WeakPolarHBondContact O-CG 3.47Å |
| 1378 | L | 83.4 | Confident | 68 | Low | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.01 | 41% | 0.41 | C | S | . | . | trans | -140.4 | 130 | -178.7 | -153.4 | 70.7 | 0 | 0 | 0 | 111.2 | F1190 V1191 L1198 L1350 F1355 L1356 R1376 | F1190-L1378 HydrophobicContact CB-CD1 3.59Å; F1190-L1378 HydrophobicContact CB-CD2 4.35Å; F1190-L1378 HydrophobicContact CB-CG 3.82Å; F1190-L1378 HydrophobicContact CD1-CD1 4.29Å; F1190-L1378 HydrophobicContact CD1-CD2 3.44Å; F1190-L1378 VanDerWaalsContact CD1-CD2 3.44Å; F1190-L1378 HydrophobicContact CD1-CG 3.65Å; F1190-L1378 HydrophobicContact CE1-CD2 3.87Å; F1190-L1378 HydrophobicContact CG-CD1 4.1Å; F1190-L1378 HydrophobicContact CG-CD2 3.97Å; F1190-L1378 HydrophobicContact CG-CG 3.98Å; V1191-L1378 WeakPolarHBondContact O-CA 3.34Å; L1198-L1378 HydrophobicContact CD1-CD1 4.45Å; L1350-L1378 HydrophobicContact CD1-CD2 3.79Å; L1350-L1378 HydrophobicContact CD2-CD1 3.96Å; L1350-L1378 HydrophobicContact CD2-CD2 3.81Å; L1350-L1378 HydrophobicContact CG-CD2 4.35Å; F1355-L1378 HydrophobicContact CB-CD1 4.25Å; F1355-L1378 HydrophobicContact CD1-CD1 4.43Å; F1355-L1378 HydrophobicContact CG-CD1 4.37Å; L1356-L1378 HydrophobicContact CD2-CD2 4.4Å; R1376-L1378 PolarHBondContact O-N 3.22Å | ||
| 1379 | I | 87.7 | Confident | 70 | Confident | 34 Ų | 34 | 64.9 Ų | 64.9 | 17% | 0.174 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 132.9 | 175.4 | -60.6 | 171.9 | 0 | 0 | 0 | 108.3 | F1190 V1191 N1194 K1711 | F1190-I1379 CarbonylContact C-O 3.58Å; F1190-I1379 WeakPolarHBondContact CA-O 3.41Å; V1191-I1379 PolarHBondContact N-O 3.07Å; V1191-I1379 PolarHBondContact O-N 2.95Å; N1194-I1379 WeakPolarHBondContact OD1-CD1 3.07Å; I1379-K1711 HydrophobicContact CG2-CB 3.84Å |
| 1380 | V | 90.5 | Very high | 72.4 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.024 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 144.1 | 176.9 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | F1190 K1711 M1712 L1714 L1719 | F1190-V1380 HydrophobicContact CD1-CG2 3.76Å; F1190-V1380 HydrophobicContact CE1-CG2 3.72Å; V1380-K1711 WeakPolarHBondContact O-CA 3.3Å; V1380-M1712 HydrophobicContact CB-CB 4.29Å; V1380-M1712 HydrophobicContact CG1-CB 4.43Å; V1380-M1712 HydrophobicContact CG1-CG 4.26Å; V1380-M1712 HydrophobicContact CG1-SD 3.68Å; V1380-M1712 PolarHBondContact O-N 3.13Å; V1380-L1714 HydrophobicContact CB-CD1 4.02Å; V1380-L1714 HydrophobicContact CG1-CD1 4.48Å; V1380-L1714 HydrophobicContact CG2-CD1 3.78Å; V1380-L1719 HydrophobicContact CG2-CD1 3.51Å |
| 1381 | L | 91.5 | Very high | 75.1 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -107.5 | 139 | 172.4 | -56.6 | -177.1 | 0 | 0 | 0 | 111.7 | Y1189 V1191 I1197 T1383 F1388 I1706 Y1710 | Y1189-L1381 PolarHBondContact O-N 3.29Å; Y1189-L1381 VanDerWaalsContact O-N 3.15Å; V1191-L1381 HydrophobicContact CG2-CD1 3.67Å; V1191-L1381 HydrophobicContact CG2-CD2 3.89Å; V1191-L1381 HydrophobicContact CG2-CG 3.87Å; I1197-L1381 HydrophobicContact CG2-CD1 4.16Å; L1381-T1383 PolarHBondContact O-N 3.14Å; L1381-F1388 HydrophobicContact CB-CE2 4.48Å; L1381-F1388 HydrophobicContact CD1-CE2 3.82Å; L1381-F1388 HydrophobicContact CD1-CZ 4.07Å; L1381-I1706 HydrophobicContact CD1-CG2 4.07Å; L1381-Y1710 CarbonylContact C-O 3.6Å; L1381-Y1710 WeakPolarHBondContact CA-O 3.42Å |
| 1382 | D | 89.4 | Confident | 77.9 | Confident | 52 Ų | 52 | 54 Ų | 54 | 28% | 0.278 | 31% | 0.31 | S | S | . | . | trans | -82.1 | 111.3 | 171.7 | -164.3 | -11.5 | 0 | 0 | 0 | 110.5 | K1384 Y1710 M1712 | D1382-K1384 WeakPolarHBondContact OD1-CB 3.46Å; D1382-K1384 VanDerWaalsContact OD1-CD 3.28Å; D1382-K1384 WeakPolarHBondContact OD1-CD 3.47Å; D1382-K1384 WeakPolarHBondContact OD1-CE 3.48Å; D1382-K1384 WeakPolarHBondContact OD1-CG 3.48Å; D1382-K1384 PolarHBondContact OD1-N 3.05Å; D1382-K1384 VanDerWaalsContact OD1-N 3.14Å; D1382-K1384 IonicContact OD1-NZ 2.66Å; D1382-K1384 PolarHBondContact OD1-NZ 3.46Å; D1382-K1384 IonicContact OD2-NZ 2.75Å; D1382-K1384 PolarHBondContact OD2-NZ 3.16Å; D1382-Y1710 PolarHBondContact N-O 3.46Å; D1382-M1712 HydrophobicContact CB-CG 3.9Å; D1382-M1712 HydrophobicContact CB-SD 4.13Å | ||
| 1383 | T | 88.3 | Confident | 80.2 | Confident | 40 Ų | 40 | 53.2 Ų | 53.2 | 25% | 0.245 | 31% | 0.305 | C | S | . | . | trans | -83.5 | -8.2 | -177.6 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | I1184 Y1189 L1381 S1385 F1388 | I1184-T1383 HydrophobicContact CG2-CG2 4.21Å; Y1189-T1383 HydrophobicContact CD2-CG2 3.35Å; Y1189-T1383 HydrophobicContact CE2-CG2 3.9Å; Y1189-T1383 HydrophobicContact CG-CG2 4.08Å; L1381-T1383 PolarHBondContact O-N 3.14Å; T1383-S1385 PolarHBondContact O-N 3.27Å; T1383-S1385 VanDerWaalsContact O-N 3.08Å; T1383-F1388 HydrophobicContact CG2-CD1 4.15Å; T1383-F1388 HydrophobicContact CG2-CE1 3.78Å; T1383-F1388 HydrophobicContact CG2-CZ 4.49Å | ||
| 1384 | K | 85.6 | Confident | 82.6 | Confident | 167 Ų | 167 | 53.5 Ų | 53.5 | 73% | 0.726 | 29% | 0.294 | S | S | * | . | trans | -68.2 | -10.1 | -170.8 | -64.5 | 167.1 | -156.6 | 133 | 0 | 115.1 | D1382 | D1382-K1384 WeakPolarHBondContact OD1-CB 3.46Å; D1382-K1384 VanDerWaalsContact OD1-CD 3.28Å; D1382-K1384 WeakPolarHBondContact OD1-CD 3.47Å; D1382-K1384 WeakPolarHBondContact OD1-CE 3.48Å; D1382-K1384 WeakPolarHBondContact OD1-CG 3.48Å; D1382-K1384 PolarHBondContact OD1-N 3.05Å; D1382-K1384 VanDerWaalsContact OD1-N 3.14Å; D1382-K1384 IonicContact OD1-NZ 2.66Å; D1382-K1384 PolarHBondContact OD1-NZ 3.46Å; D1382-K1384 IonicContact OD2-NZ 2.75Å; D1382-K1384 PolarHBondContact OD2-NZ 3.16Å | ||
| 1385 | S | 87.2 | Confident | 84.8 | Confident | 55 Ų | 55 | 48.4 Ų | 48.4 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | trans | -89.7 | 123.4 | 178.4 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | T1383 A1387 F1388 | T1383-S1385 PolarHBondContact O-N 3.27Å; T1383-S1385 VanDerWaalsContact O-N 3.08Å; S1385-A1387 PolarHBondContact O-N 3.49Å; S1385-A1387 PolarHBondContact OG-N 3.04Å; S1385-F1388 WeakPolarHBondContact O-CB 3.49Å; S1385-F1388 PolarHBondContact O-N 3.05Å | ||
| 1386 | A | 81.3 | Confident | 86.5 | Confident | 58 Ų | 58 | 43.5 Ų | 43.5 | 48% | 0.479 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -50.7 | -30.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113 | E1181 F1388 A1389 | E1181-A1386 WeakPolarHBondContact OE1-CB 3.36Å; A1386-F1388 PolarHBondContact O-N 3.31Å; A1386-A1389 PolarHBondContact O-N 3.05Å |
| 1387 | A | 90 | Very high | 87.8 | Confident | 45 Ų | 45 | 42 Ų | 42 | 37% | 0.372 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.4 | -21.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1385 A1390 D1391 Y1710 | S1385-A1387 PolarHBondContact O-N 3.49Å; S1385-A1387 PolarHBondContact OG-N 3.04Å; A1387-A1390 PolarHBondContact O-N 3.43Å; A1387-D1391 WeakPolarHBondContact O-CB 3.45Å; A1387-D1391 PolarHBondContact O-N 3.29Å; A1387-Y1710 PolarHBondContact O-OH 3.16Å |
| 1388 | F | 93.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.4 | -44.7 | 175.3 | -179.6 | -113.3 | 0 | 0 | 0 | 111.4 | I1184 Y1189 L1381 T1383 S1385 A1386 A1390 D1391 L1392 I1706 Y1710 | I1184-F1388 HydrophobicContact CG2-CD1 3.97Å; I1184-F1388 HydrophobicContact CG2-CE1 4.02Å; Y1189-F1388 HydrophobicContact CD1-CE1 4.05Å; Y1189-F1388 AromaticContact CD1-CZ 3.75Å; Y1189-F1388 HydrophobicContact CD1-CZ 3.75Å; Y1189-F1388 HydrophobicContact CD2-CE1 4.16Å; Y1189-F1388 HydrophobicContact CD2-CZ 4.48Å; Y1189-F1388 HydrophobicContact CE1-CE1 4.05Å; Y1189-F1388 HydrophobicContact CE1-CZ 4.07Å; Y1189-F1388 HydrophobicContact CE2-CE1 4.13Å; Y1189-F1388 HydrophobicContact CG-CE1 4.1Å; Y1189-F1388 AromaticContact CG-CZ 3.97Å; Y1189-F1388 HydrophobicContact CG-CZ 3.97Å; L1381-F1388 HydrophobicContact CB-CE2 4.48Å; L1381-F1388 HydrophobicContact CD1-CE2 3.82Å; L1381-F1388 HydrophobicContact CD1-CZ 4.07Å; T1383-F1388 HydrophobicContact CG2-CD1 4.15Å; T1383-F1388 HydrophobicContact CG2-CE1 3.78Å; T1383-F1388 HydrophobicContact CG2-CZ 4.49Å; S1385-F1388 WeakPolarHBondContact O-CB 3.49Å; S1385-F1388 PolarHBondContact O-N 3.05Å; A1386-F1388 PolarHBondContact O-N 3.31Å; F1388-A1390 VanDerWaalsContact C-N 3.33Å; F1388-A1390 PolarHBondContact O-N 3.4Å; F1388-D1391 PolarHBondContact O-N 3Å; F1388-L1392 HydrophobicContact CD1-CD1 3.94Å; F1388-L1392 HydrophobicContact CE1-CD1 3.44Å; F1388-L1392 VanDerWaalsContact CE1-CD1 3.44Å; F1388-L1392 HydrophobicContact CE1-CG 4.29Å; F1388-L1392 HydrophobicContact CE2-CD1 4.37Å; F1388-L1392 HydrophobicContact CE2-CG 4.39Å; F1388-L1392 HydrophobicContact CZ-CD1 3.69Å; F1388-L1392 HydrophobicContact CZ-CG 4.14Å; F1388-L1392 PolarHBondContact O-N 2.96Å; F1388-I1706 HydrophobicContact CD2-CG2 4.41Å; F1388-I1706 HydrophobicContact CE2-CG2 3.92Å; F1388-Y1710 HydrophobicContact CB-CD1 4.3Å; F1388-Y1710 HydrophobicContact CB-CE1 4.1Å; F1388-Y1710 HydrophobicContact CD2-CD1 4.32Å; F1388-Y1710 AromaticContact CD2-CD2 3.68Å; F1388-Y1710 HydrophobicContact CD2-CD2 3.68Å; F1388-Y1710 HydrophobicContact CD2-CE2 4.02Å; F1388-Y1710 AromaticContact CD2-CG 3.86Å; F1388-Y1710 HydrophobicContact CD2-CG 3.86Å; F1388-Y1710 HydrophobicContact CE2-CD2 4.34Å |
| 1389 | A | 89.3 | Confident | 89 | Confident | 15 Ų | 15 | 42 Ų | 42 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1181 I1184 A1386 L1392 D1393 | E1181-A1389 HydrophobicContact CG-CB 4.44Å; I1184-A1389 HydrophobicContact CD1-CB 3.43Å; I1184-A1389 VanDerWaalsContact CD1-CB 3.43Å; A1386-A1389 PolarHBondContact O-N 3.05Å; A1389-L1392 PolarHBondContact O-N 3.33Å; A1389-D1393 WeakPolarHBondContact O-CB 3.16Å; A1389-D1393 PolarHBondContact O-N 3.2Å |
| 1390 | A | 90.5 | Very high | 89 | Confident | 40 Ų | 40 | 41.2 Ų | 41.2 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.6 | -33.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1387 F1388 R1394 | A1387-A1390 PolarHBondContact O-N 3.43Å; F1388-A1390 VanDerWaalsContact C-N 3.33Å; F1388-A1390 PolarHBondContact O-N 3.4Å; A1390-R1394 WeakPolarHBondContact O-CB 3.33Å; A1390-R1394 VanDerWaalsContact O-CD 3.31Å; A1390-R1394 WeakPolarHBondContact O-CD 3.28Å; A1390-R1394 WeakPolarHBondContact O-CG 3.44Å; A1390-R1394 PolarHBondContact O-N 2.97Å; A1390-R1394 VanDerWaalsContact O-N 3.15Å |
| 1391 | D | 93.2 | Very high | 89 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -77.6 | -26.1 | 174.3 | -89.5 | -27.4 | 0 | 0 | 0 | 113.5 | A1387 F1388 R1394 L1395 K1702 I1706 K1709 Y1710 | A1387-D1391 WeakPolarHBondContact O-CB 3.45Å; A1387-D1391 PolarHBondContact O-N 3.29Å; F1388-D1391 PolarHBondContact O-N 3Å; D1391-R1394 WeakPolarHBondContact OD1-CD 3.34Å; D1391-R1394 IonicContact OD1-CZ 2.68Å; D1391-R1394 IonicContact OD1-NH1 3.33Å; D1391-R1394 PolarHBondContact OD1-NH1 3.24Å; D1391-L1395 PolarHBondContact O-N 3.09Å; D1391-L1395 VanDerWaalsContact O-N 3.11Å; D1391-K1702 VanDerWaalsContact CG-NZ 3.31Å; D1391-K1702 IonicContact OD1-NZ 2.82Å; D1391-K1702 PolarHBondContact OD1-NZ 3.39Å; D1391-K1702 IonicContact OD2-NZ 2.79Å; D1391-I1706 HydrophobicContact CB-CD1 4.49Å; D1391-I1706 HydrophobicContact CB-CG1 4.18Å; D1391-K1709 IonicContact OD1-NZ 2.76Å; D1391-K1709 WeakPolarHBondContact OD2-CD 3.46Å; D1391-K1709 IonicContact OD2-NZ 2.73Å; D1391-K1709 PolarHBondContact OD2-NZ 3.48Å; D1391-Y1710 HydrophobicContact CB-CE2 4.21Å; D1391-Y1710 PolarHBondContact OD2-OH 2.9Å |
| 1392 | L | 91.7 | Very high | 89 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.6 | -48.9 | 167.8 | -87.1 | 171.1 | 0 | 0 | 0 | 111.8 | I1184 Y1189 F1388 A1389 R1394 L1395 D1396 | I1184-L1392 HydrophobicContact CD1-CD1 4.18Å; Y1189-L1392 HydrophobicContact CE1-CD1 3.91Å; F1388-L1392 HydrophobicContact CD1-CD1 3.94Å; F1388-L1392 HydrophobicContact CE1-CD1 3.44Å; F1388-L1392 VanDerWaalsContact CE1-CD1 3.44Å; F1388-L1392 HydrophobicContact CE1-CG 4.29Å; F1388-L1392 HydrophobicContact CE2-CD1 4.37Å; F1388-L1392 HydrophobicContact CE2-CG 4.39Å; F1388-L1392 HydrophobicContact CZ-CD1 3.69Å; F1388-L1392 HydrophobicContact CZ-CG 4.14Å; F1388-L1392 PolarHBondContact O-N 2.96Å; A1389-L1392 PolarHBondContact O-N 3.33Å; L1392-R1394 VanDerWaalsContact C-N 3.28Å; L1392-R1394 PolarHBondContact O-N 2.92Å; L1392-L1395 WeakPolarHBondContact O-CA 3.45Å; L1392-L1395 WeakPolarHBondContact O-CB 3.5Å; L1392-L1395 PolarHBondContact O-N 3.03Å; L1392-D1396 PolarHBondContact O-N 3.15Å |
| 1393 | D | 88 | Confident | 89.2 | Confident | 75 Ų | 75 | 40.6 Ų | 40.6 | 40% | 0.401 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.2 | -43.6 | 174.3 | 170.8 | 76.7 | 0 | 0 | 0 | 111.6 | A1389 L1395 D1396 K1397 | A1389-D1393 WeakPolarHBondContact O-CB 3.16Å; A1389-D1393 PolarHBondContact O-N 3.2Å; D1393-L1395 VanDerWaalsContact C-N 3.33Å; D1393-L1395 PolarHBondContact O-N 3.34Å; D1393-D1396 PolarHBondContact O-N 3.26Å; D1393-K1397 WeakPolarHBondContact O-CB 3.05Å; D1393-K1397 WeakPolarHBondContact O-CG 3.09Å; D1393-K1397 PolarHBondContact O-N 3.3Å; D1393-K1397 WeakPolarHBondContact OD1-CE 3.25Å; D1393-K1397 IonicContact OD1-NZ 2.76Å; D1393-K1397 PolarHBondContact OD1-NZ 3.22Å; D1393-K1397 IonicContact OD2-NZ 2.9Å; D1393-K1397 PolarHBondContact OD2-NZ 3.33Å |
| 1394 | R | 89.6 | Confident | 89.5 | Confident | 107 Ų | 107 | 39 Ų | 39 | 40% | 0.404 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.8 | -32.6 | 172.9 | -72.2 | 165.3 | -174.5 | 157.7 | 0.7 | 113.7 | A1390 D1391 L1392 L1398 | A1390-R1394 WeakPolarHBondContact O-CB 3.33Å; A1390-R1394 VanDerWaalsContact O-CD 3.31Å; A1390-R1394 WeakPolarHBondContact O-CD 3.28Å; A1390-R1394 WeakPolarHBondContact O-CG 3.44Å; A1390-R1394 PolarHBondContact O-N 2.97Å; A1390-R1394 VanDerWaalsContact O-N 3.15Å; D1391-R1394 WeakPolarHBondContact OD1-CD 3.34Å; D1391-R1394 IonicContact OD1-CZ 2.68Å; D1391-R1394 IonicContact OD1-NH1 3.33Å; D1391-R1394 PolarHBondContact OD1-NH1 3.24Å; L1392-R1394 VanDerWaalsContact C-N 3.28Å; L1392-R1394 PolarHBondContact O-N 2.92Å; R1394-L1398 WeakPolarHBondContact O-CG 3.24Å |
| 1395 | L | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.3 | -43.6 | 175.7 | 172.6 | 62.5 | 0 | 0 | 0 | 110.8 | I1197 R1220 D1391 L1392 D1393 K1397 L1398 R1699 K1702 V1703 I1706 | I1197-L1395 HydrophobicContact CD1-CD2 3.89Å; R1220-L1395 HydrophobicContact CB-CD2 4.27Å; D1391-L1395 PolarHBondContact O-N 3.09Å; D1391-L1395 VanDerWaalsContact O-N 3.11Å; L1392-L1395 WeakPolarHBondContact O-CA 3.45Å; L1392-L1395 WeakPolarHBondContact O-CB 3.5Å; L1392-L1395 PolarHBondContact O-N 3.03Å; D1393-L1395 VanDerWaalsContact C-N 3.33Å; D1393-L1395 PolarHBondContact O-N 3.34Å; L1395-K1397 VanDerWaalsContact C-N 3.33Å; L1395-K1397 PolarHBondContact O-N 3.46Å; L1395-L1398 WeakPolarHBondContact O-CB 3.5Å; L1395-L1398 PolarHBondContact O-N 2.91Å; L1395-R1699 HydrophobicContact CD1-CB 4.32Å; L1395-R1699 HydrophobicContact CD1-CG 4.44Å; L1395-R1699 PolarHBondContact O-NH1 2.84Å; L1395-K1702 HydrophobicContact CB-CG 4.07Å; L1395-K1702 HydrophobicContact CD1-CB 4.03Å; L1395-K1702 HydrophobicContact CD1-CG 3.89Å; L1395-V1703 HydrophobicContact CD1-CG2 4.13Å; L1395-V1703 HydrophobicContact CD2-CG2 3.79Å; L1395-I1706 HydrophobicContact CB-CD1 4.16Å; L1395-I1706 HydrophobicContact CD2-CD1 3.99Å |
| 1396 | D | 88.3 | Confident | 90.3 | Very high | 35 Ų | 35 | 29 Ų | 29 | 19% | 0.187 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.6 | -32.9 | 179.9 | -73.9 | -15.5 | 0 | 0 | 0 | 111.9 | R1220 R1225 L1392 D1393 L1398 | R1220-D1396 WeakPolarHBondContact CD-OD1 3.29Å; R1220-D1396 IonicContact CZ-OD2 3.92Å; R1220-D1396 VanDerWaalsContact CZ-OD2 3.23Å; R1220-D1396 VanDerWaalsContact NE-CG 3.25Å; R1220-D1396 IonicContact NE-OD1 3.31Å; R1220-D1396 PolarHBondContact NE-OD1 3.14Å; R1220-D1396 IonicContact NE-OD2 3.52Å; R1220-D1396 PolarHBondContact NE-OD2 3.45Å; R1220-D1396 IonicContact NH2-OD2 3.33Å; R1220-D1396 PolarHBondContact NH2-OD2 3.42Å; R1225-D1396 IonicContact CZ-OD2 3.87Å; R1225-D1396 IonicContact NE-OD2 2.67Å; R1225-D1396 IonicContact NH1-OD2 2.69Å; R1225-D1396 PolarHBondContact NH1-OD2 2.96Å; L1392-D1396 PolarHBondContact O-N 3.15Å; D1393-D1396 PolarHBondContact O-N 3.26Å; D1396-L1398 VanDerWaalsContact C-N 3.27Å; D1396-L1398 PolarHBondContact O-N 2.74Å |
| 1397 | K | 86.4 | Confident | 91 | Very high | 81 Ų | 81 | 26.3 Ų | 26.3 | 35% | 0.352 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -5.5 | 171.4 | -74.3 | 168.7 | 178.3 | 158.8 | 0 | 115.5 | D1393 L1395 S1399 W1464 | D1393-K1397 WeakPolarHBondContact O-CB 3.05Å; D1393-K1397 WeakPolarHBondContact O-CG 3.09Å; D1393-K1397 PolarHBondContact O-N 3.3Å; D1393-K1397 WeakPolarHBondContact OD1-CE 3.25Å; D1393-K1397 IonicContact OD1-NZ 2.76Å; D1393-K1397 PolarHBondContact OD1-NZ 3.22Å; D1393-K1397 IonicContact OD2-NZ 2.9Å; D1393-K1397 PolarHBondContact OD2-NZ 3.33Å; L1395-K1397 VanDerWaalsContact C-N 3.33Å; L1395-K1397 PolarHBondContact O-N 3.46Å; K1397-S1399 PolarHBondContact O-N 2.81Å; K1397-W1464 VanDerWaalsContact O-CE3 3.31Å |
| 1398 | L | 87.7 | Confident | 91.3 | Very high | 49 Ų | 49 | 24.2 Ų | 24.2 | 26% | 0.257 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -81.4 | 107.8 | 169 | -73.7 | 172 | 0 | 0 | 0 | 109.5 | R1394 L1395 D1396 A1400 R1699 K1702 | R1394-L1398 WeakPolarHBondContact O-CG 3.24Å; L1395-L1398 WeakPolarHBondContact O-CB 3.5Å; L1395-L1398 PolarHBondContact O-N 2.91Å; D1396-L1398 VanDerWaalsContact C-N 3.27Å; D1396-L1398 PolarHBondContact O-N 2.74Å; L1398-A1400 PolarHBondContact O-N 3.02Å; L1398-R1699 HydrophobicContact CB-CG 3.9Å; L1398-R1699 HydrophobicContact CD1-CG 4.48Å; L1398-R1699 WeakPolarHBondContact O-CD 3.47Å; L1398-R1699 PolarHBondContact O-NH1 3.08Å; L1398-K1702 HydrophobicContact CD1-CB 3.71Å; L1398-K1702 HydrophobicContact CD1-CG 3.91Å |
| 1399 | S | 87.6 | Confident | 91.4 | Very high | 11 Ų | 11 | 24.3 Ų | 24.3 | 8% | 0.077 | 13% | 0.129 | C | C | . | . | trans | -52.3 | 135.8 | 174.2 | -172.7 | 0 | 0 | 0 | 0 | 111.8 | K1397 R1401 E1498 | K1397-S1399 PolarHBondContact O-N 2.81Å; S1399-R1401 VanDerWaalsContact C-N 3.25Å; S1399-R1401 PolarHBondContact OG-N 3.01Å; S1399-R1401 PolarHBondContact OG-O 2.71Å; S1399-E1498 PolarHBondContact OG-OE1 2.84Å | ||
| 1400 | A | 87.4 | Confident | 91.7 | Very high | 17 Ų | 17 | 23.7 Ų | 23.7 | 14% | 0.14 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -79.9 | -8.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1156 F1223 L1398 P1695 | I1156-A1400 HydrophobicContact CD1-CB 3.76Å; I1156-A1400 HydrophobicContact CG1-CB 4.29Å; F1223-A1400 WeakPolarHBondContact O-CB 3.19Å; L1398-A1400 PolarHBondContact O-N 3.02Å; A1400-P1695 VanDerWaalsContact C-CB 3.47Å; A1400-P1695 VanDerWaalsContact O-CB 3.24Å; A1400-P1695 WeakPolarHBondContact O-CB 3.31Å |
| 1401 | R | 91.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.015 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -99.6 | 166 | 174.3 | -67.9 | 172.5 | 164.2 | 155.1 | -11 | 111.8 | F1147 P1153 E1154 I1156 S1399 Y1491 D1494 E1498 P1695 | F1147-R1401 VanDerWaalsContact CE2-NH2 3.34Å; P1153-R1401 VanDerWaalsContact O-CZ 3.23Å; P1153-R1401 PolarHBondContact O-NH1 2.72Å; P1153-R1401 PolarHBondContact O-NH2 3.44Å; E1154-R1401 VanDerWaalsContact C-NH1 3.35Å; E1154-R1401 PolarHBondContact O-NH1 3.44Å; E1154-R1401 VanDerWaalsContact O-NH1 3.09Å; I1156-R1401 HydrophobicContact CD1-CG 4.05Å; I1156-R1401 HydrophobicContact CG1-CG 4.49Å; S1399-R1401 VanDerWaalsContact C-N 3.25Å; S1399-R1401 PolarHBondContact OG-N 3.01Å; S1399-R1401 PolarHBondContact OG-O 2.71Å; R1401-Y1491 PolarHBondContact NH1-OH 2.7Å; R1401-D1494 PolarHBondContact NE-O 3.42Å; R1401-D1494 PolarHBondContact NH2-O 3.45Å; R1401-E1498 HydrophobicContact CB-CG 4.03Å; R1401-P1695 WeakPolarHBondContact O-CB 3.31Å; R1401-P1695 WeakPolarHBondContact O-CG 3.2Å |
| 1402 | T | 92.5 | Very high | 91.9 | Very high | 20 Ų | 20 | 23.6 Ų | 23.6 | 12% | 0.123 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 125 | 160.1 | 61.7 | 0 | 0 | 0 | 0 | 109 | S1496 S1497 E1498 R1686 Y1692 P1695 | T1402-S1496 PolarHBondContact N-O 2.89Å; T1402-S1496 PolarHBondContact OG1-O 3.06Å; T1402-S1497 CarbonylContact O-C 3.52Å; T1402-S1497 WeakPolarHBondContact O-CA 3.27Å; T1402-E1498 PolarHBondContact O-N 3.43Å; T1402-R1686 PolarHBondContact OG1-NH2 3.05Å; T1402-R1686 VanDerWaalsContact OG1-NH2 3.16Å; T1402-Y1692 WeakPolarHBondContact CG2-OH 3.32Å; T1402-P1695 HydrophobicContact CG2-CG 3.61Å |
| 1403 | H | 92.6 | Very high | 91.8 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 12% | 0.116 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 138.6 | -177.9 | 65.9 | -80.4 | 0 | 0 | 0 | 111.4 | W1456 W1464 E1498 E1616 | H1403-W1456 HydrophobicContact CB-CB 4.11Å; H1403-W1456 HydrophobicContact CB-CD2 4.09Å; H1403-W1456 HydrophobicContact CB-CG 3.9Å; H1403-W1456 AromaticContact CD2-CD2 3.71Å; H1403-W1456 AromaticContact CD2-CE2 3.79Å; H1403-W1456 AromaticContact CD2-CE3 3.7Å; H1403-W1456 AromaticContact CD2-CH2 3.86Å; H1403-W1456 AromaticContact CD2-CZ2 3.89Å; H1403-W1456 AromaticContact CD2-CZ3 3.77Å; H1403-W1464 HydrophobicContact CB-CZ2 3.99Å; H1403-W1464 AromaticContact CD2-CH2 3.95Å; H1403-W1464 AromaticContact CE1-CH2 3.94Å; H1403-W1464 AromaticContact CG-CH2 3.95Å; H1403-W1464 AromaticContact CG-CZ2 3.85Å; H1403-W1464 AromaticContact ND1-CH2 3.97Å; H1403-W1464 AromaticContact NE2-CH2 3.95Å; H1403-E1498 CarbonylContact C-O 3.5Å; H1403-E1498 WeakPolarHBondContact CA-O 3.42Å; H1403-E1498 HydrophobicContact CB-CG 3.84Å; H1403-E1616 IonicContact CE1-OE1 2.76Å; H1403-E1616 PolarHBondContact CE1-OE1 2.74Å; H1403-E1616 VanDerWaalsContact CE1-OE1 3.31Å; H1403-E1616 IonicContact NE2-OE1 3.46Å; H1403-E1616 PolarHBondContact NE2-OE1 2.9Å; H1403-E1616 IonicContact NE2-OE2 3.41Å; H1403-E1616 PolarHBondContact NE2-OE2 3.47Å |
| 1404 | D | 93.8 | Very high | 91.9 | Very high | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 157.3 | -177.1 | -74.4 | -60.2 | 0 | 0 | 0 | 111.9 | W1456 E1498 I1499 A1500 S1682 R1686 | D1404-W1456 VanDerWaalsContact O-CD1 3.23Å; D1404-W1456 PolarHBondContact O-NE1 2.94Å; D1404-W1456 VanDerWaalsContact O-NE1 3.14Å; D1404-E1498 PolarHBondContact N-O 3.41Å; D1404-I1499 HydrophobicContact CB-CB 4.47Å; D1404-I1499 HydrophobicContact CB-CD1 4.29Å; D1404-I1499 HydrophobicContact CB-CG1 3.93Å; D1404-I1499 WeakPolarHBondContact O-CA 3.34Å; D1404-A1500 PolarHBondContact O-N 3.35Å; D1404-S1682 VanDerWaalsContact CG-CB 3.41Å; D1404-S1682 WeakPolarHBondContact OD1-CB 3.48Å; D1404-S1682 PolarHBondContact OD1-OG 3.44Å; D1404-S1682 WeakPolarHBondContact OD2-CB 3.47Å; D1404-R1686 VanDerWaalsContact CG-NH1 3.29Å; D1404-R1686 IonicContact OD1-CZ 2.72Å; D1404-R1686 IonicContact OD1-NH1 3.78Å; D1404-R1686 PolarHBondContact OD1-NH1 3.41Å; D1404-R1686 IonicContact OD1-NH2 3.66Å; D1404-R1686 IonicContact OD2-CZ 3.73Å; D1404-R1686 VanDerWaalsContact OD2-CZ 3.31Å; D1404-R1686 IonicContact OD2-NH1 2.79Å; D1404-R1686 PolarHBondContact OD2-NH1 3.21Å; D1404-R1686 IonicContact OD2-NH2 2.73Å; D1404-R1686 PolarHBondContact OD2-NH2 3.48Å |
| 1405 | S | 94.5 | Very high | 92 | Very high | 13 Ų | 13 | 22.3 Ų | 22.3 | 9% | 0.091 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 133.3 | 178.9 | -48.8 | 0 | 0 | 0 | 0 | 111.7 | Y1407 W1456 A1500 | S1405-Y1407 WeakPolarHBondContact CB-OH 3.44Å; S1405-W1456 WeakPolarHBondContact OG-CZ2 3.34Å; S1405-W1456 PolarHBondContact OG-NE1 2.89Å; S1405-A1500 WeakPolarHBondContact CA-O 3.4Å |
| 1406 | V | 96.1 | Very high | 92 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128.9 | 174.7 | -180 | 0 | 0 | 0 | 0 | 108.7 | I1499 A1500 F1501 V1502 I1589 L1591 A1678 | V1406-I1499 HydrophobicContact CG2-CD1 3.76Å; V1406-I1499 HydrophobicContact CG2-CG1 4.19Å; V1406-A1500 PolarHBondContact N-O 2.96Å; V1406-F1501 HydrophobicContact CB-CD1 3.56Å; V1406-F1501 HydrophobicContact CB-CE1 3.85Å; V1406-F1501 HydrophobicContact CB-CG 4.38Å; V1406-F1501 HydrophobicContact CG1-CD1 3.77Å; V1406-F1501 HydrophobicContact CG1-CE1 3.99Å; V1406-F1501 HydrophobicContact CG2-CD1 4.09Å; V1406-F1501 HydrophobicContact CG2-CE1 3.87Å; V1406-F1501 WeakPolarHBondContact O-CA 3.39Å; V1406-V1502 PolarHBondContact O-N 3.36Å; V1406-I1589 WeakPolarHBondContact CA-O 3.47Å; V1406-I1589 HydrophobicContact CG1-CG2 4.27Å; V1406-I1589 HydrophobicContact CG2-CB 4.22Å; V1406-I1589 HydrophobicContact CG2-CG2 4.21Å; V1406-L1591 HydrophobicContact CG1-CB 3.93Å; V1406-A1678 HydrophobicContact CG2-CB 3.78Å |
| 1407 | Y | 95.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 115.7 | -176.9 | -58.9 | -85.1 | 0 | 0 | 0 | 109.4 | S1405 F1409 V1502 P1504 K1588 I1589 F1590 L1591 T1612 T1614 | S1405-Y1407 WeakPolarHBondContact CB-OH 3.44Å; Y1407-F1409 WeakPolarHBondContact O-CD2 3.46Å; Y1407-F1409 WeakPolarHBondContact O-CE2 3.5Å; Y1407-V1502 CarbonylContact C-O 3.52Å; Y1407-V1502 WeakPolarHBondContact CA-O 3.28Å; Y1407-V1502 HydrophobicContact CD1-CB 4.25Å; Y1407-V1502 HydrophobicContact CE1-CB 4.41Å; Y1407-P1504 HydrophobicContact CD1-CG 4.11Å; Y1407-K1588 HydrophobicContact CE2-CD 3.99Å; Y1407-I1589 PolarHBondContact N-O 3.45Å; Y1407-F1590 CarbonylContact O-C 3.54Å; Y1407-F1590 WeakPolarHBondContact O-CA 3.31Å; Y1407-L1591 PolarHBondContact O-N 3.38Å; Y1407-T1612 HydrophobicContact CD1-CG2 3.65Å; Y1407-T1612 HydrophobicContact CD2-CG2 4.05Å; Y1407-T1612 HydrophobicContact CE1-CG2 4.18Å; Y1407-T1612 HydrophobicContact CG-CG2 3.57Å; Y1407-T1612 VanDerWaalsContact CZ-O 3.31Å; Y1407-T1612 PolarHBondContact OH-O 3.03Å; Y1407-T1612 VanDerWaalsContact OH-O 3.12Å; Y1407-T1614 VanDerWaalsContact OH-CG2 3.25Å; Y1407-T1614 WeakPolarHBondContact OH-CG2 3.48Å |
| 1408 | V | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 126.2 | -173.2 | -166.7 | 0 | 0 | 0 | 0 | 110.7 | F1437 L1441 L1444 F1501 V1502 V1503 P1504 L1591 | V1408-F1437 HydrophobicContact CG1-CE2 4.03Å; V1408-F1437 HydrophobicContact CG1-CZ 4.32Å; V1408-L1441 HydrophobicContact CB-CD2 4.44Å; V1408-L1441 HydrophobicContact CG1-CD2 3.87Å; V1408-L1444 HydrophobicContact CG2-CD1 4.2Å; V1408-F1501 HydrophobicContact CG2-CB 4.26Å; V1408-F1501 HydrophobicContact CG2-CD1 4.39Å; V1408-V1502 PolarHBondContact N-O 3.43Å; V1408-V1503 HydrophobicContact CB-CG2 4.08Å; V1408-P1504 WeakPolarHBondContact O-CD 3.5Å; V1408-L1591 CarbonylContact C-O 3.55Å; V1408-L1591 VanDerWaalsContact CA-O 3.26Å; V1408-L1591 WeakPolarHBondContact CA-O 3.46Å; V1408-L1591 HydrophobicContact CG1-CB 4.3Å; V1408-L1591 HydrophobicContact CG1-CD2 4.01Å; V1408-L1591 HydrophobicContact CG1-CG 4.19Å; V1408-L1591 HydrophobicContact CG2-CB 4.22Å; V1408-L1591 HydrophobicContact CG2-CD2 4.04Å |
| 1409 | F | 95.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 147.5 | -178.1 | -60.1 | -90.7 | 0 | 0 | 0 | 111 | Y1407 I1421 I1422 P1504 F1590 L1591 V1592 W1593 L1608 T1612 | Y1407-F1409 WeakPolarHBondContact O-CD2 3.46Å; Y1407-F1409 WeakPolarHBondContact O-CE2 3.5Å; F1409-I1421 HydrophobicContact CB-CG2 4.2Å; F1409-I1421 HydrophobicContact CD1-CG2 4.18Å; F1409-I1422 HydrophobicContact CD1-CD1 4.33Å; F1409-I1422 HydrophobicContact CE1-CD1 3.94Å; F1409-P1504 HydrophobicContact CE1-CB 4.07Å; F1409-P1504 HydrophobicContact CE1-CG 3.78Å; F1409-P1504 HydrophobicContact CE2-CG 4.41Å; F1409-P1504 HydrophobicContact CZ-CB 4.41Å; F1409-P1504 HydrophobicContact CZ-CG 3.7Å; F1409-F1590 AromaticContact CD2-CD1 3.83Å; F1409-F1590 HydrophobicContact CD2-CD1 3.83Å; F1409-F1590 HydrophobicContact CD2-CE1 4.48Å; F1409-F1590 AromaticContact CE2-CD1 3.22Å; F1409-F1590 HydrophobicContact CE2-CD1 3.22Å; F1409-F1590 AromaticContact CE2-CE1 3.53Å; F1409-F1590 HydrophobicContact CE2-CE1 3.53Å; F1409-F1590 HydrophobicContact CE2-CG 4.17Å; F1409-F1590 AromaticContact CZ-CD1 3.98Å; F1409-F1590 HydrophobicContact CZ-CD1 3.98Å; F1409-F1590 AromaticContact CZ-CE1 3.81Å; F1409-F1590 HydrophobicContact CZ-CE1 3.81Å; F1409-L1591 PolarHBondContact N-O 3.32Å; F1409-V1592 HydrophobicContact CD2-CG2 4.49Å; F1409-W1593 PolarHBondContact O-N 3.27Å; F1409-L1608 HydrophobicContact CD1-CD1 4.4Å; F1409-L1608 HydrophobicContact CD1-CD2 4.09Å; F1409-L1608 HydrophobicContact CE1-CB 4.38Å; F1409-L1608 HydrophobicContact CE1-CD1 4.46Å; F1409-L1608 HydrophobicContact CE1-CD2 3.78Å; F1409-L1608 HydrophobicContact CE1-CG 4.44Å; F1409-L1608 HydrophobicContact CZ-CB 4.41Å; F1409-T1612 HydrophobicContact CZ-CG2 4.02Å |
| 1410 | Y | 94.5 | Very high | 93 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 121.8 | 172.6 | -172.6 | -84.2 | 0 | 0 | 0 | 109 | K1412 N1424 H1433 D1434 F1437 W1593 E1595 | Y1410-K1412 HydrophobicContact CD1-CG 4.18Å; Y1410-K1412 HydrophobicContact CE1-CG 3.74Å; Y1410-N1424 HydrophobicContact CD1-CB 4.22Å; Y1410-N1424 PolarHBondContact O-ND2 3.22Å; Y1410-H1433 HydrophobicContact CE2-CB 4.25Å; Y1410-D1434 HydrophobicContact CE2-CB 4.17Å; Y1410-D1434 PolarHBondContact OH-N 3.32Å; Y1410-F1437 HydrophobicContact CD2-CB 4.07Å; Y1410-F1437 AromaticContact CD2-CD1 3.52Å; Y1410-F1437 HydrophobicContact CD2-CD1 3.52Å; Y1410-F1437 AromaticContact CD2-CD2 3.83Å; Y1410-F1437 HydrophobicContact CD2-CD2 3.83Å; Y1410-F1437 AromaticContact CD2-CE1 3.81Å; Y1410-F1437 HydrophobicContact CD2-CE1 3.81Å; Y1410-F1437 HydrophobicContact CD2-CE2 4.1Å; Y1410-F1437 AromaticContact CD2-CG 3.53Å; Y1410-F1437 HydrophobicContact CD2-CG 3.53Å; Y1410-F1437 HydrophobicContact CD2-CZ 4.09Å; Y1410-F1437 HydrophobicContact CE2-CB 3.89Å; Y1410-F1437 HydrophobicContact CE2-CD1 4.05Å; Y1410-F1437 HydrophobicContact CE2-CD2 4.46Å; Y1410-F1437 AromaticContact CE2-CG 3.89Å; Y1410-F1437 HydrophobicContact CE2-CG 3.89Å; Y1410-F1437 HydrophobicContact CG-CD1 4.42Å; Y1410-F1437 HydrophobicContact CG-CE1 4.33Å; Y1410-W1593 HydrophobicContact CD2-CB 4.02Å; Y1410-W1593 AromaticContact CD2-CD1 3.71Å; Y1410-W1593 HydrophobicContact CD2-CG 4.04Å; Y1410-W1593 AromaticContact CE2-CD1 3.35Å; Y1410-W1593 HydrophobicContact CE2-CG 4.08Å; Y1410-W1593 AromaticContact CE2-NE1 3.89Å; Y1410-E1595 HydrophobicContact CE1-CG 4.27Å; Y1410-E1595 VanDerWaalsContact CE1-OE1 3.3Å; Y1410-E1595 WeakPolarHBondContact CE1-OE1 3.41Å; Y1410-E1595 WeakPolarHBondContact OH-CG 3.39Å; Y1410-E1595 PolarHBondContact OH-OE1 3.2Å |
| 1411 | V | 95 | Very high | 93.3 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.4 | -177.7 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | Q1415 I1421 V1592 W1593 L1594 E1595 D1599 F1603 | V1411-Q1415 HydrophobicContact CG1-CB 4.13Å; V1411-I1421 HydrophobicContact CG1-CD1 4.37Å; V1411-I1421 HydrophobicContact CG1-CG1 4.33Å; V1411-I1421 HydrophobicContact CG2-CD1 4.08Å; V1411-I1421 HydrophobicContact CG2-CG1 4.18Å; V1411-I1421 HydrophobicContact CG2-CG2 4.09Å; V1411-V1592 HydrophobicContact CG2-CG1 3.58Å; V1411-W1593 PolarHBondContact N-O 2.94Å; V1411-L1594 HydrophobicContact CB-CD2 3.9Å; V1411-L1594 HydrophobicContact CG1-CD2 4.31Å; V1411-L1594 HydrophobicContact CG2-CD2 4.11Å; V1411-E1595 PolarHBondContact O-N 3.43Å; V1411-E1595 VanDerWaalsContact O-N 3.16Å; V1411-D1599 HydrophobicContact CG1-CB 4.3Å; V1411-F1603 HydrophobicContact CG2-CD2 4.15Å; V1411-F1603 HydrophobicContact CG2-CE2 3.97Å |
| 1412 | K | 92.9 | Very high | 93.4 | Very high | 40 Ų | 40 | 30.8 Ų | 30.8 | 17% | 0.174 | 18% | 0.179 | C | C | . | . | trans | -80.6 | 151.8 | 173.5 | -65.5 | 179.9 | 173.8 | 168.6 | 0 | 111 | Y1410 G1414 Q1415 N1424 S1432 E1595 | Y1410-K1412 HydrophobicContact CD1-CG 4.18Å; Y1410-K1412 HydrophobicContact CE1-CG 3.74Å; K1412-G1414 PolarHBondContact O-N 2.86Å; K1412-G1414 VanDerWaalsContact O-N 3.16Å; K1412-Q1415 HydrophobicContact CB-CG 4.07Å; K1412-Q1415 WeakPolarHBondContact O-CB 3.32Å; K1412-Q1415 WeakPolarHBondContact O-CG 3.5Å; K1412-Q1415 PolarHBondContact O-N 2.9Å; K1412-N1424 VanDerWaalsContact CD-OD1 3.31Å; K1412-N1424 WeakPolarHBondContact CD-OD1 3.34Å; K1412-N1424 WeakPolarHBondContact CE-OD1 3.48Å; K1412-S1432 PolarHBondContact NZ-OG 3.44Å; K1412-E1595 WeakPolarHBondContact CA-OE2 3.35Å; K1412-E1595 WeakPolarHBondContact CB-OE2 3.41Å | ||
| 1413 | S | 91.2 | Very high | 93.3 | Very high | 82 Ų | 82 | 32.4 Ų | 32.4 | 57% | 0.573 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | 117.5 | -174.5 | -172.3 | 0 | 0 | 0 | 0 | 112.7 | E1595 D1599 | S1413-E1595 PolarHBondContact N-OE2 2.92Å; S1413-D1599 WeakPolarHBondContact CA-OD2 3.47Å |
| 1414 | G | 89 | Confident | 93.1 | Very high | 49 Ų | 49 | 31.4 Ų | 31.4 | 51% | 0.505 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 10 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | K1412 D1599 | K1412-G1414 PolarHBondContact O-N 2.86Å; K1412-G1414 VanDerWaalsContact O-N 3.16Å; G1414-D1599 WeakPolarHBondContact CA-OD1 3.34Å; G1414-D1599 PolarHBondContact N-OD1 3.21Å; G1414-D1599 PolarHBondContact N-OD2 3.14Å |
| 1415 | Q | 92.5 | Very high | 92.8 | Very high | 28 Ų | 28 | 31.8 Ų | 31.8 | 13% | 0.131 | 19% | 0.192 | C | C | . | . | trans | -75.6 | 124.6 | 174.2 | -75.4 | -178.5 | -24 | 0 | 0 | 112.2 | V1411 K1412 Q1420 I1421 N1424 | V1411-Q1415 HydrophobicContact CG1-CB 4.13Å; K1412-Q1415 HydrophobicContact CB-CG 4.07Å; K1412-Q1415 WeakPolarHBondContact O-CB 3.32Å; K1412-Q1415 WeakPolarHBondContact O-CG 3.5Å; K1412-Q1415 PolarHBondContact O-N 2.9Å; Q1415-Q1420 HydrophobicContact CG-CB 4.28Å; Q1415-I1421 HydrophobicContact CB-CG1 4.18Å; Q1415-N1424 PolarHBondContact NE2-OD1 3.01Å; Q1415-N1424 PolarHBondContact OE1-ND2 2.75Å | ||
| 1416 | T | 91.3 | Very high | 92 | Very high | 79 Ų | 79 | 32.8 Ų | 32.8 | 49% | 0.485 | 20% | 0.204 | S | C | . | . | trans | -118.9 | -7.8 | 178.9 | 59.6 | 0 | 0 | 0 | 0 | 114 | N1602 P1604 | T1416-N1602 HydrophobicContact CG2-CB 3.73Å; T1416-P1604 WeakPolarHBondContact O-CG 3.33Å | ||
| 1417 | S | 94.4 | Very high | 90.6 | Very high | 40 Ų | 40 | 40 Ų | 40 | 28% | 0.28 | 24% | 0.238 | S | C | . | . | trans | -99.5 | 130.2 | 179.2 | -178.7 | 0 | 0 | 0 | 0 | 112 | Q1419 Q1420 I1421 | S1417-Q1419 PolarHBondContact O-N 3.24Å; S1417-Q1419 PolarHBondContact OG-N 2.79Å; S1417-Q1420 WeakPolarHBondContact O-CB 3.39Å; S1417-Q1420 PolarHBondContact O-N 3.19Å; S1417-I1421 PolarHBondContact O-N 3.46Å; S1417-I1421 VanDerWaalsContact O-N 3.14Å | ||
| 1418 | A | 93.1 | Very high | 89.1 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.033 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -54.1 | -35.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q1420 I1421 I1422 P1604 D1607 L1608 | A1418-Q1420 VanDerWaalsContact C-N 3.34Å; A1418-Q1420 PolarHBondContact O-N 3.06Å; A1418-I1421 PolarHBondContact O-N 3.05Å; A1418-I1422 WeakPolarHBondContact O-CB 3.38Å; A1418-I1422 VanDerWaalsContact O-CG1 3.23Å; A1418-I1422 WeakPolarHBondContact O-CG1 3.35Å; A1418-I1422 PolarHBondContact O-N 2.84Å; A1418-P1604 HydrophobicContact CB-CB 4.48Å; A1418-P1604 HydrophobicContact CB-CG 4.16Å; A1418-D1607 HydrophobicContact CB-CB 3.54Å; A1418-L1608 HydrophobicContact CB-CD2 3.61Å; A1418-L1608 HydrophobicContact CB-CG 3.77Å |
| 1419 | Q | 91.7 | Very high | 87.7 | Confident | 146 Ų | 146 | 50.7 Ų | 50.7 | 68% | 0.682 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.2 | -36.7 | 178.3 | -65.1 | 179.1 | -6.3 | 0 | 0 | 112.3 | S1417 A1423 | S1417-Q1419 PolarHBondContact O-N 3.24Å; S1417-Q1419 PolarHBondContact OG-N 2.79Å; Q1419-A1423 WeakPolarHBondContact O-CB 3.34Å; Q1419-A1423 PolarHBondContact O-N 3.24Å; Q1419-A1423 VanDerWaalsContact O-N 3.11Å |
| 1420 | Q | 92.3 | Very high | 86.2 | Confident | 97 Ų | 97 | 52.6 Ų | 52.6 | 45% | 0.453 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -72.7 | -41.2 | 178 | -65.9 | 172.4 | -23 | 0 | 0 | 111.5 | Q1415 S1417 A1418 A1423 N1424 | Q1415-Q1420 HydrophobicContact CG-CB 4.28Å; S1417-Q1420 WeakPolarHBondContact O-CB 3.39Å; S1417-Q1420 PolarHBondContact O-N 3.19Å; A1418-Q1420 VanDerWaalsContact C-N 3.34Å; A1418-Q1420 PolarHBondContact O-N 3.06Å; Q1420-A1423 PolarHBondContact O-N 3.22Å; Q1420-N1424 PolarHBondContact O-N 2.89Å; Q1420-N1424 PolarHBondContact O-OD1 2.73Å |
| 1421 | I | 94 | Very high | 84.8 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.015 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 177.4 | -66.6 | 168.5 | 0 | 0 | 0 | 110.5 | F1409 V1411 Q1415 S1417 A1418 A1423 N1424 F1603 P1604 L1608 | F1409-I1421 HydrophobicContact CB-CG2 4.2Å; F1409-I1421 HydrophobicContact CD1-CG2 4.18Å; V1411-I1421 HydrophobicContact CG1-CD1 4.37Å; V1411-I1421 HydrophobicContact CG1-CG1 4.33Å; V1411-I1421 HydrophobicContact CG2-CD1 4.08Å; V1411-I1421 HydrophobicContact CG2-CG1 4.18Å; V1411-I1421 HydrophobicContact CG2-CG2 4.09Å; Q1415-I1421 HydrophobicContact CB-CG1 4.18Å; S1417-I1421 PolarHBondContact O-N 3.46Å; S1417-I1421 VanDerWaalsContact O-N 3.14Å; A1418-I1421 PolarHBondContact O-N 3.05Å; I1421-A1423 VanDerWaalsContact C-N 3.34Å; I1421-A1423 PolarHBondContact O-N 3.47Å; I1421-N1424 WeakPolarHBondContact O-CB 3.43Å; I1421-N1424 PolarHBondContact O-N 3.03Å; I1421-N1424 PolarHBondContact O-ND2 2.76Å; I1421-F1603 HydrophobicContact CD1-CD2 4.4Å; I1421-F1603 HydrophobicContact CD1-CE2 4.37Å; I1421-P1604 HydrophobicContact CD1-CG 3.69Å; I1421-L1608 HydrophobicContact CD1-CD1 4.23Å; I1421-L1608 HydrophobicContact CG2-CD1 4.49Å; I1421-L1608 HydrophobicContact CG2-CD2 4.44Å |
| 1422 | I | 92.5 | Very high | 84 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 176.6 | -67.2 | -73.1 | 0 | 0 | 0 | 111.9 | F1409 A1418 N1424 M1425 P1504 T1506 L1608 Y1611 | F1409-I1422 HydrophobicContact CD1-CD1 4.33Å; F1409-I1422 HydrophobicContact CE1-CD1 3.94Å; A1418-I1422 WeakPolarHBondContact O-CB 3.38Å; A1418-I1422 VanDerWaalsContact O-CG1 3.23Å; A1418-I1422 WeakPolarHBondContact O-CG1 3.35Å; A1418-I1422 PolarHBondContact O-N 2.84Å; I1422-N1424 PolarHBondContact O-N 3.34Å; I1422-M1425 PolarHBondContact O-N 2.74Å; I1422-P1504 HydrophobicContact CD1-CB 3.89Å; I1422-T1506 HydrophobicContact CG2-CG2 3.85Å; I1422-L1608 HydrophobicContact CD1-CD2 4.18Å; I1422-L1608 HydrophobicContact CG1-CD2 3.98Å; I1422-Y1611 HydrophobicContact CB-CE1 4.33Å; I1422-Y1611 HydrophobicContact CD1-CD1 3.67Å; I1422-Y1611 HydrophobicContact CD1-CD2 4.43Å; I1422-Y1611 HydrophobicContact CD1-CE1 4Å; I1422-Y1611 HydrophobicContact CD1-CG 3.92Å; I1422-Y1611 HydrophobicContact CG1-CD1 3.94Å; I1422-Y1611 HydrophobicContact CG1-CD2 4.47Å; I1422-Y1611 HydrophobicContact CG1-CE1 3.72Å; I1422-Y1611 HydrophobicContact CG1-CE2 4.29Å; I1422-Y1611 HydrophobicContact CG1-CG 4.32Å; I1422-Y1611 HydrophobicContact CG2-CD1 4.43Å; I1422-Y1611 HydrophobicContact CG2-CE1 3.98Å |
| 1423 | A | 89.6 | Confident | 83.4 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 45% | 0.446 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.3 | -22.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q1419 Q1420 I1421 M1425 G1426 | Q1419-A1423 WeakPolarHBondContact O-CB 3.34Å; Q1419-A1423 PolarHBondContact O-N 3.24Å; Q1419-A1423 VanDerWaalsContact O-N 3.11Å; Q1420-A1423 PolarHBondContact O-N 3.22Å; I1421-A1423 VanDerWaalsContact C-N 3.34Å; I1421-A1423 PolarHBondContact O-N 3.47Å; A1423-M1425 PolarHBondContact O-N 3.41Å; A1423-M1425 VanDerWaalsContact O-N 3.13Å; A1423-G1426 PolarHBondContact O-N 3.04Å |
| 1424 | N | 89.7 | Confident | 82.9 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.027 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -21.8 | 177.2 | -65.2 | -31.9 | 0 | 0 | 0 | 113.7 | Y1410 K1412 Q1415 Q1420 I1421 I1422 S1429 H1433 | Y1410-N1424 HydrophobicContact CD1-CB 4.22Å; Y1410-N1424 PolarHBondContact O-ND2 3.22Å; K1412-N1424 VanDerWaalsContact CD-OD1 3.31Å; K1412-N1424 WeakPolarHBondContact CD-OD1 3.34Å; K1412-N1424 WeakPolarHBondContact CE-OD1 3.48Å; Q1415-N1424 PolarHBondContact NE2-OD1 3.01Å; Q1415-N1424 PolarHBondContact OE1-ND2 2.75Å; Q1420-N1424 PolarHBondContact O-N 2.89Å; Q1420-N1424 PolarHBondContact O-OD1 2.73Å; I1421-N1424 WeakPolarHBondContact O-CB 3.43Å; I1421-N1424 PolarHBondContact O-N 3.03Å; I1421-N1424 PolarHBondContact O-ND2 2.76Å; I1422-N1424 PolarHBondContact O-N 3.34Å; N1424-S1429 WeakPolarHBondContact O-CB 3.38Å; N1424-H1433 PolarHBondContact O-CE1 2.89Å; N1424-H1433 PolarHBondContact O-NE2 3.11Å |
| 1425 | M | 86.1 | Confident | 82.5 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 7% | 0.074 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 7 | 178.2 | -61.7 | -55.2 | -44.4 | 0 | 0 | 113.6 | I1422 A1423 F1437 L1481 V1503 T1505 | I1422-M1425 PolarHBondContact O-N 2.74Å; A1423-M1425 PolarHBondContact O-N 3.41Å; A1423-M1425 VanDerWaalsContact O-N 3.13Å; M1425-F1437 HydrophobicContact SD-CE1 4.13Å; M1425-L1481 HydrophobicContact CE-CB 4.15Å; M1425-V1503 HydrophobicContact CB-CG1 4.48Å; M1425-V1503 HydrophobicContact CE-CG1 3.78Å; M1425-V1503 HydrophobicContact CG-CG1 3.68Å; M1425-V1503 HydrophobicContact SD-CG1 3.9Å; M1425-T1505 HydrophobicContact CB-CG2 4.38Å |
| 1426 | G | 78.2 | Confident | 82.1 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 35% | 0.351 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -71.2 | 156.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113 | A1423 E1428 S1429 | A1423-G1426 PolarHBondContact O-N 3.04Å; G1426-E1428 VanDerWaalsContact C-N 3.27Å; G1426-E1428 PolarHBondContact O-N 2.54Å; G1426-S1429 PolarHBondContact O-N 2.76Å |
| 1427 | E | 66.5 | Low | 82.1 | Confident | 152 Ų | 152 | 57.3 Ų | 57.3 | 71% | 0.71 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -56.3 | -36.1 | -172.6 | -59.1 | -177 | 149.3 | 0 | 0 | 113.8 | S1429 N1479 | E1427-S1429 VanDerWaalsContact C-N 3.28Å; E1427-S1429 PolarHBondContact O-N 3.41Å; E1427-N1479 HydrophobicContact CG-CB 4.4Å |
| 1428 | E | 64 | Low | 81.7 | Confident | 199 Ų | 199 | 56.8 Ų | 56.8 | 93% | 0.93 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -70 | -19 | 179.1 | -59.5 | -176 | 150.2 | 0 | 0 | 114 | G1426 | G1426-E1428 VanDerWaalsContact C-N 3.27Å; G1426-E1428 PolarHBondContact O-N 2.54Å |
| 1429 | S | 67.4 | Low | 81.4 | Confident | 26 Ų | 26 | 59.7 Ų | 59.7 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -91.1 | -11.4 | -172 | -82.5 | 0 | 0 | 0 | 0 | 115.2 | N1424 G1426 E1427 A1431 S1432 | N1424-S1429 WeakPolarHBondContact O-CB 3.38Å; G1426-S1429 PolarHBondContact O-N 2.76Å; E1427-S1429 VanDerWaalsContact C-N 3.28Å; E1427-S1429 PolarHBondContact O-N 3.41Å; S1429-A1431 PolarHBondContact O-N 2.68Å; S1429-S1432 WeakPolarHBondContact O-CB 3.19Å; S1429-S1432 PolarHBondContact O-N 2.59Å; S1429-S1432 PolarHBondContact O-OG 3.5Å |
| 1430 | S | 65.1 | Low | 81.3 | Confident | 44 Ų | 44 | 53 Ų | 53 | 31% | 0.308 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -58.9 | -26.4 | -169 | -63.4 | 0 | 0 | 0 | 0 | 115.5 | S1432 N1479 | S1430-S1432 VanDerWaalsContact C-N 3.27Å; S1430-S1432 PolarHBondContact O-N 2.92Å; S1430-N1479 PolarHBondContact OG-ND2 3.1Å; S1430-N1479 VanDerWaalsContact OG-ND2 3.14Å; S1430-N1479 PolarHBondContact OG-OD1 2.84Å |
| 1431 | A | 64.4 | Low | 81.3 | Confident | 107 Ų | 107 | 48.4 Ų | 48.4 | 88% | 0.884 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -81.3 | 0.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1429 | S1429-A1431 PolarHBondContact O-N 2.68Š|
| 1432 | S | 77.5 | Confident | 81 | Confident | 55 Ų | 55 | 54.8 Ų | 54.8 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -116.1 | 12.8 | -174.8 | 68.3 | 0 | 0 | 0 | 0 | 114.2 | K1412 S1429 S1430 | K1412-S1432 PolarHBondContact NZ-OG 3.44Å; S1429-S1432 WeakPolarHBondContact O-CB 3.19Å; S1429-S1432 PolarHBondContact O-N 2.59Å; S1429-S1432 PolarHBondContact O-OG 3.5Å; S1430-S1432 VanDerWaalsContact C-N 3.27Å; S1430-S1432 PolarHBondContact O-N 2.92Å |
| 1433 | H | 81.6 | Confident | 80.9 | Confident | 28 Ų | 28 | 56.7 Ų | 56.7 | 13% | 0.13 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -90.2 | 151.3 | 176.4 | -57.3 | 149.2 | 0 | 0 | 0 | 111.7 | Y1410 N1424 | Y1410-H1433 HydrophobicContact CE2-CB 4.25Å; N1424-H1433 PolarHBondContact O-CE1 2.89Å; N1424-H1433 PolarHBondContact O-NE2 3.11Å |
| 1434 | D | 80.6 | Confident | 81.1 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 18% | 0.176 | 32% | 0.319 | C | S | . | . | trans | -54.1 | 124.5 | 164.6 | -175.7 | -39.9 | 0 | 0 | 0 | 109.7 | Y1410 H1436 F1437 W1593 S1636 | Y1410-D1434 HydrophobicContact CE2-CB 4.17Å; Y1410-D1434 PolarHBondContact OH-N 3.32Å; D1434-H1436 PolarHBondContact O-N 3.47Å; D1434-H1436 WeakPolarHBondContact OD1-CA 3.35Å; D1434-H1436 VanDerWaalsContact OD1-CB 3.24Å; D1434-H1436 WeakPolarHBondContact OD1-CB 3.34Å; D1434-H1436 IonicContact OD1-CD2 3.72Å; D1434-H1436 PolarHBondContact OD1-CD2 2.85Å; D1434-H1436 IonicContact OD1-CG 3.87Å; D1434-H1436 PolarHBondContact OD1-N 3.12Å; D1434-F1437 HydrophobicContact CB-CB 4.43Å; D1434-F1437 WeakPolarHBondContact O-CB 3.35Å; D1434-F1437 PolarHBondContact O-N 2.97Å; D1434-W1593 HydrophobicContact CB-CZ2 4.22Å; D1434-W1593 WeakPolarHBondContact OD2-CZ2 3.34Å; D1434-W1593 PolarHBondContact OD2-NE1 3.02Å; D1434-S1636 WeakPolarHBondContact OD2-CB 3.5Å | ||
| 1435 | P | 79.8 | Confident | 81.2 | Confident | 96 Ų | 96 | 54.2 Ų | 54.2 | 62% | 0.623 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.9 | -16.1 | -177 | 25.9 | -35.2 | 0 | 0 | 0 | 113.4 | ||
| 1436 | H | 85.1 | Confident | 81.4 | Confident | 60 Ų | 60 | 58.6 Ų | 58.6 | 28% | 0.278 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -89.1 | -16.8 | 178.6 | -49 | -51.8 | 0 | 0 | 0 | 112.9 | D1434 M1440 W1593 R1667 | D1434-H1436 PolarHBondContact O-N 3.47Å; D1434-H1436 WeakPolarHBondContact OD1-CA 3.35Å; D1434-H1436 VanDerWaalsContact OD1-CB 3.24Å; D1434-H1436 WeakPolarHBondContact OD1-CB 3.34Å; D1434-H1436 IonicContact OD1-CD2 3.72Å; D1434-H1436 PolarHBondContact OD1-CD2 2.85Å; D1434-H1436 IonicContact OD1-CG 3.87Å; D1434-H1436 PolarHBondContact OD1-N 3.12Å; H1436-M1440 VanDerWaalsContact O-CB 3.28Å; H1436-M1440 WeakPolarHBondContact O-CB 3.05Å; H1436-M1440 PolarHBondContact O-N 2.79Å; H1436-W1593 HydrophobicContact CB-CH2 3.9Å; H1436-W1593 HydrophobicContact CB-CZ2 4.02Å; H1436-R1667 PolarHBondContact CD2-NH2 3.13Å; H1436-R1667 PolarHBondContact CE1-NH1 3.31Å; H1436-R1667 PolarHBondContact ND1-NH1 2.9Å; H1436-R1667 PolarHBondContact NE2-NH1 3.22Å; H1436-R1667 PolarHBondContact NE2-NH2 2.93Å; H1436-R1667 VanDerWaalsContact NE2-NH2 3.11Å |
| 1437 | F | 90.6 | Very high | 82.1 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.9 | -48.1 | 172.4 | 175.1 | -115.3 | 0 | 0 | 0 | 111.5 | V1408 Y1410 M1425 D1434 S1439 M1440 L1441 W1593 | V1408-F1437 HydrophobicContact CG1-CE2 4.03Å; V1408-F1437 HydrophobicContact CG1-CZ 4.32Å; Y1410-F1437 HydrophobicContact CD2-CB 4.07Å; Y1410-F1437 AromaticContact CD2-CD1 3.52Å; Y1410-F1437 HydrophobicContact CD2-CD1 3.52Å; Y1410-F1437 AromaticContact CD2-CD2 3.83Å; Y1410-F1437 HydrophobicContact CD2-CD2 3.83Å; Y1410-F1437 AromaticContact CD2-CE1 3.81Å; Y1410-F1437 HydrophobicContact CD2-CE1 3.81Å; Y1410-F1437 HydrophobicContact CD2-CE2 4.1Å; Y1410-F1437 AromaticContact CD2-CG 3.53Å; Y1410-F1437 HydrophobicContact CD2-CG 3.53Å; Y1410-F1437 HydrophobicContact CD2-CZ 4.09Å; Y1410-F1437 HydrophobicContact CE2-CB 3.89Å; Y1410-F1437 HydrophobicContact CE2-CD1 4.05Å; Y1410-F1437 HydrophobicContact CE2-CD2 4.46Å; Y1410-F1437 AromaticContact CE2-CG 3.89Å; Y1410-F1437 HydrophobicContact CE2-CG 3.89Å; Y1410-F1437 HydrophobicContact CG-CD1 4.42Å; Y1410-F1437 HydrophobicContact CG-CE1 4.33Å; M1425-F1437 HydrophobicContact SD-CE1 4.13Å; D1434-F1437 HydrophobicContact CB-CB 4.43Å; D1434-F1437 WeakPolarHBondContact O-CB 3.35Å; D1434-F1437 PolarHBondContact O-N 2.97Å; F1437-S1439 VanDerWaalsContact C-N 3.33Å; F1437-S1439 PolarHBondContact O-N 2.84Å; F1437-M1440 HydrophobicContact CD2-CE 3.72Å; F1437-M1440 HydrophobicContact CE2-CE 3.85Å; F1437-M1440 WeakPolarHBondContact O-CB 3.1Å; F1437-M1440 PolarHBondContact O-N 2.84Å; F1437-L1441 HydrophobicContact CD1-CD1 4.22Å; F1437-L1441 HydrophobicContact CE1-CD1 3.72Å; F1437-L1441 HydrophobicContact CE1-CG 4.38Å; F1437-L1441 HydrophobicContact CE2-CD1 4.41Å; F1437-L1441 HydrophobicContact CE2-CD2 4.26Å; F1437-L1441 HydrophobicContact CE2-CG 4.23Å; F1437-L1441 HydrophobicContact CZ-CD1 3.83Å; F1437-L1441 HydrophobicContact CZ-CD2 4.2Å; F1437-L1441 HydrophobicContact CZ-CG 4.13Å; F1437-L1441 WeakPolarHBondContact O-CG 3.26Å; F1437-L1441 PolarHBondContact O-N 3.44Å; F1437-W1593 HydrophobicContact CB-CD2 4.03Å; F1437-W1593 HydrophobicContact CB-CE3 4.48Å; F1437-W1593 HydrophobicContact CB-CG 4.26Å; F1437-W1593 HydrophobicContact CB-CZ2 4.37Å; F1437-W1593 HydrophobicContact CD2-CB 3.62Å; F1437-W1593 AromaticContact CD2-CD2 3.86Å; F1437-W1593 HydrophobicContact CD2-CD2 3.86Å; F1437-W1593 HydrophobicContact CD2-CE3 4.04Å; F1437-W1593 AromaticContact CD2-CG 3.71Å; F1437-W1593 HydrophobicContact CD2-CG 3.71Å; F1437-W1593 HydrophobicContact CE2-CB 3.9Å; F1437-W1593 HydrophobicContact CE2-CG 4.47Å; F1437-W1593 HydrophobicContact CG-CD2 4.4Å; F1437-W1593 HydrophobicContact CG-CG 4.3Å |
| 1438 | A | 86.3 | Confident | 83.2 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 24% | 0.24 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62 | -40.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1441 Q1442 L1481 | A1438-L1441 PolarHBondContact O-N 3.43Å; A1438-Q1442 WeakPolarHBondContact O-CG 3.38Å; A1438-Q1442 PolarHBondContact O-N 3.3Å; A1438-L1481 HydrophobicContact CB-CD2 4.2Å |
| 1439 | S | 86.1 | Confident | 84.5 | Confident | 64 Ų | 64 | 49.2 Ų | 49.2 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 173.5 | 179 | 0 | 0 | 0 | 0 | 112.1 | F1437 Q1442 T1443 | F1437-S1439 VanDerWaalsContact C-N 3.33Å; F1437-S1439 PolarHBondContact O-N 2.84Å; S1439-Q1442 PolarHBondContact O-N 2.79Å; S1439-T1443 PolarHBondContact O-N 2.9Å |
| 1440 | M | 90.5 | Very high | 85.5 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 175.7 | -179.6 | -79.8 | -68.2 | 0 | 0 | 111.3 | H1436 F1437 Q1442 T1443 L1444 L1591 W1593 V1670 | H1436-M1440 VanDerWaalsContact O-CB 3.28Å; H1436-M1440 WeakPolarHBondContact O-CB 3.05Å; H1436-M1440 PolarHBondContact O-N 2.79Å; F1437-M1440 HydrophobicContact CD2-CE 3.72Å; F1437-M1440 HydrophobicContact CE2-CE 3.85Å; F1437-M1440 WeakPolarHBondContact O-CB 3.1Å; F1437-M1440 PolarHBondContact O-N 2.84Å; M1440-Q1442 VanDerWaalsContact C-N 3.29Å; M1440-Q1442 PolarHBondContact O-N 2.96Å; M1440-T1443 PolarHBondContact O-N 3.42Å; M1440-T1443 PolarHBondContact O-OG1 2.88Å; M1440-L1444 PolarHBondContact O-N 2.99Å; M1440-L1444 HydrophobicContact SD-CD1 3.8Å; M1440-L1444 HydrophobicContact SD-CD2 3.98Å; M1440-L1444 HydrophobicContact SD-CG 3.88Å; M1440-L1591 HydrophobicContact CE-CD2 4.09Å; M1440-L1591 HydrophobicContact SD-CD2 3.95Å; M1440-W1593 HydrophobicContact CB-CZ3 3.92Å; M1440-W1593 HydrophobicContact CE-CE3 3.86Å; M1440-W1593 HydrophobicContact CE-CZ3 4.28Å; M1440-W1593 HydrophobicContact CG-CZ3 4.04Å; M1440-V1670 HydrophobicContact CB-CG1 4.36Å; M1440-V1670 HydrophobicContact CG-CG1 3.81Å; M1440-V1670 HydrophobicContact CG-CG2 4.25Å |
| 1441 | L | 91.2 | Very high | 86.5 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -53.1 | -45.4 | 176.8 | -74 | 177.6 | 0 | 0 | 0 | 112.2 | V1408 F1437 A1438 T1443 L1444 L1481 L1490 V1503 | V1408-L1441 HydrophobicContact CB-CD2 4.44Å; V1408-L1441 HydrophobicContact CG1-CD2 3.87Å; F1437-L1441 HydrophobicContact CD1-CD1 4.22Å; F1437-L1441 HydrophobicContact CE1-CD1 3.72Å; F1437-L1441 HydrophobicContact CE1-CG 4.38Å; F1437-L1441 HydrophobicContact CE2-CD1 4.41Å; F1437-L1441 HydrophobicContact CE2-CD2 4.26Å; F1437-L1441 HydrophobicContact CE2-CG 4.23Å; F1437-L1441 HydrophobicContact CZ-CD1 3.83Å; F1437-L1441 HydrophobicContact CZ-CD2 4.2Å; F1437-L1441 HydrophobicContact CZ-CG 4.13Å; F1437-L1441 WeakPolarHBondContact O-CG 3.26Å; F1437-L1441 PolarHBondContact O-N 3.44Å; A1438-L1441 PolarHBondContact O-N 3.43Å; L1441-T1443 PolarHBondContact O-N 2.83Å; L1441-L1444 HydrophobicContact CD2-CD1 3.94Å; L1441-L1444 WeakPolarHBondContact O-CB 3.49Å; L1441-L1444 PolarHBondContact O-N 3.49Å; L1441-L1444 VanDerWaalsContact O-N 3.08Å; L1441-L1481 HydrophobicContact CD1-CD2 4.28Å; L1441-L1490 HydrophobicContact CB-CD1 4.01Å; L1441-L1490 HydrophobicContact CD2-CD1 4.09Å; L1441-V1503 HydrophobicContact CD2-CG2 4.2Å |
| 1442 | Q | 88.1 | Confident | 87.5 | Confident | 136 Ų | 136 | 48.5 Ų | 48.5 | 64% | 0.636 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64.4 | -18.2 | 178.3 | -68.3 | 172.9 | -5.4 | 0 | 0 | 113.9 | A1438 S1439 M1440 | A1438-Q1442 WeakPolarHBondContact O-CG 3.38Å; A1438-Q1442 PolarHBondContact O-N 3.3Å; S1439-Q1442 PolarHBondContact O-N 2.79Å; M1440-Q1442 VanDerWaalsContact C-N 3.29Å; M1440-Q1442 PolarHBondContact O-N 2.96Å |
| 1443 | T | 90.7 | Very high | 88.1 | Confident | 46 Ų | 46 | 46.2 Ų | 46.2 | 28% | 0.282 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -90.2 | -11.2 | 174.5 | 67 | 0 | 0 | 0 | 0 | 114.1 | S1439 M1440 L1441 G1671 R1675 | S1439-T1443 PolarHBondContact O-N 2.9Å; M1440-T1443 PolarHBondContact O-N 3.42Å; M1440-T1443 PolarHBondContact O-OG1 2.88Å; L1441-T1443 PolarHBondContact O-N 2.83Å; T1443-G1671 WeakPolarHBondContact O-CA 3.26Å; T1443-G1671 VanDerWaalsContact OG1-CA 3.25Å; T1443-G1671 WeakPolarHBondContact OG1-CA 3.44Å; T1443-G1671 PolarHBondContact OG1-N 2.98Å; T1443-R1675 PolarHBondContact O-NH1 2.84Å |
| 1444 | L | 93.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -74.2 | -38.7 | -180 | -64.9 | 174.9 | 0 | 0 | 0 | 112.4 | V1408 M1440 L1441 F1501 L1591 V1674 R1675 | V1408-L1444 HydrophobicContact CG2-CD1 4.2Å; M1440-L1444 PolarHBondContact O-N 2.99Å; M1440-L1444 HydrophobicContact SD-CD1 3.8Å; M1440-L1444 HydrophobicContact SD-CD2 3.98Å; M1440-L1444 HydrophobicContact SD-CG 3.88Å; L1441-L1444 HydrophobicContact CD2-CD1 3.94Å; L1441-L1444 WeakPolarHBondContact O-CB 3.49Å; L1441-L1444 PolarHBondContact O-N 3.49Å; L1441-L1444 VanDerWaalsContact O-N 3.08Å; L1444-F1501 HydrophobicContact CB-CD1 4.1Å; L1444-F1501 HydrophobicContact CB-CD2 3.92Å; L1444-F1501 HydrophobicContact CB-CE1 4.18Å; L1444-F1501 HydrophobicContact CB-CE2 3.99Å; L1444-F1501 HydrophobicContact CB-CG 3.98Å; L1444-F1501 HydrophobicContact CB-CZ 4.12Å; L1444-F1501 HydrophobicContact CD1-CB 4.38Å; L1444-F1501 HydrophobicContact CD1-CD1 3.82Å; L1444-F1501 HydrophobicContact CD1-CE1 4.32Å; L1444-F1501 HydrophobicContact CD1-CG 4.15Å; L1444-F1501 HydrophobicContact CD2-CD1 4.21Å; L1444-F1501 HydrophobicContact CD2-CE1 3.86Å; L1444-F1501 HydrophobicContact CD2-CZ 4.25Å; L1444-F1501 HydrophobicContact CG-CD1 4.28Å; L1444-F1501 HydrophobicContact CG-CE1 4.35Å; L1444-F1501 VanDerWaalsContact O-CE2 3.22Å; L1444-F1501 WeakPolarHBondContact O-CE2 3.47Å; L1444-L1591 HydrophobicContact CD1-CD2 3.71Å; L1444-L1591 HydrophobicContact CD2-CD2 3.89Å; L1444-L1591 HydrophobicContact CG-CD2 4.45Å; L1444-V1674 HydrophobicContact CD2-CB 4.23Å; L1444-V1674 HydrophobicContact CD2-CG1 3.86Å; L1444-R1675 WeakPolarHBondContact O-CD 3.26Å; L1444-R1675 PolarHBondContact O-NH1 3.12Å |
| 1445 | G | 91.9 | Very high | 89 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 8% | 0.082 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -176 | -178.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1490 Y1491 | G1445-L1490 WeakPolarHBondContact O-CD2 3.43Å; G1445-Y1491 CarbonylContact C-O 3.58Å; G1445-Y1491 WeakPolarHBondContact CA-O 3.48Å |
| 1446 | W | 91 | Very high | 89.6 | Confident | 106 Ų | 106 | 39.3 Ų | 39.3 | 40% | 0.402 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 132.7 | 178.1 | -38.9 | -62.6 | 0 | 0 | 0 | 109.7 | P1153 V1448 Y1491 W1492 | P1153-W1446 HydrophobicContact CB-CH2 3.92Å; P1153-W1446 HydrophobicContact CB-CZ3 4.09Å; P1153-W1446 HydrophobicContact CG-CH2 4.1Å; P1153-W1446 HydrophobicContact CG-CZ3 4.01Å; W1446-V1448 PolarHBondContact O-N 3.27Å; W1446-Y1491 AromaticContact CE3-CD1 3.87Å; W1446-Y1491 HydrophobicContact CE3-CD1 3.87Å; W1446-Y1491 VanDerWaalsContact CE3-O 3.31Å; W1446-Y1491 AromaticContact CZ3-CD1 3.84Å; W1446-Y1491 HydrophobicContact CZ3-CD1 3.84Å; W1446-Y1491 HydrophobicContact CZ3-CE1 4.13Å; W1446-Y1491 PolarHBondContact N-O 3.14Å; W1446-Y1491 PolarHBondContact O-N 3.2Å; W1446-W1492 AromaticContact CH2-CD1 3.91Å; W1446-W1492 HydrophobicContact CH2-CG 4.36Å; W1446-W1492 AromaticContact CZ2-CD1 3.7Å |
| 1447 | P | 92.2 | Very high | 89.9 | Confident | 86 Ų | 86 | 36.4 Ų | 36.4 | 56% | 0.558 | 20% | 0.199 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 120 | 174 | 29.4 | -33.3 | 0 | 0 | 0 | 109.8 | Y1483 L1490 | P1447-Y1483 HydrophobicContact CB-CE1 3.69Å; P1447-L1490 HydrophobicContact CB-CD2 4.12Å |
| 1448 | V | 90.5 | Very high | 89.9 | Confident | 29 Ų | 29 | 36.4 Ų | 36.4 | 18% | 0.176 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 149.4 | -179.6 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | W1446 H1453 R1488 V1489 | W1446-V1448 PolarHBondContact O-N 3.27Å; V1448-H1453 HydrophobicContact CG2-CB 4.37Å; V1448-R1488 VanDerWaalsContact O-CA 3.31Å; V1448-R1488 WeakPolarHBondContact O-CA 3.43Å; V1448-V1489 HydrophobicContact CG2-CG1 3.54Å; V1448-V1489 PolarHBondContact N-O 3.4Å; V1448-V1489 PolarHBondContact O-N 3.33Å; V1448-V1489 VanDerWaalsContact O-N 3.12Å |
| 1449 | Q | 90 | Very high | 90 | Very high | 73 Ų | 73 | 35.1 Ų | 35.1 | 34% | 0.341 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.3 | 178.1 | -174.9 | 152.6 | -66.5 | 0 | 0 | 110.7 | S1451 E1452 H1453 | Q1449-S1451 VanDerWaalsContact C-N 3.32Å; Q1449-S1451 PolarHBondContact O-N 3.46Å; Q1449-E1452 PolarHBondContact NE2-OE1 3.07Å; Q1449-E1452 PolarHBondContact O-N 2.79Å; Q1449-E1452 VanDerWaalsContact O-N 3.09Å; Q1449-H1453 WeakPolarHBondContact O-CB 3.46Å; Q1449-H1453 PolarHBondContact O-N 3.18Å |
| 1450 | V | 89.1 | Confident | 90 | Very high | 10 Ų | 10 | 34.1 Ų | 34.1 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -29.1 | -165.2 | 169.7 | 0 | 0 | 0 | 0 | 113.3 | E1452 T1457 N1462 Q1487 V1489 | V1450-E1452 VanDerWaalsContact C-N 3.26Å; V1450-E1452 PolarHBondContact O-N 3.5Å; V1450-T1457 HydrophobicContact CG1-CG2 4.09Å; V1450-N1462 HydrophobicContact CG1-CB 4.26Å; V1450-N1462 WeakPolarHBondContact CG1-ND2 3.24Å; V1450-Q1487 PolarHBondContact N-O 3.49Å; V1450-V1489 HydrophobicContact CG2-CG1 4.3Å |
| 1451 | S | 85.6 | Confident | 89.7 | Confident | 39 Ų | 39 | 37.4 Ų | 37.4 | 27% | 0.273 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -21.4 | 175.5 | 45.7 | 0 | 0 | 0 | 0 | 114.3 | Q1449 | Q1449-S1451 VanDerWaalsContact C-N 3.32Å; Q1449-S1451 PolarHBondContact O-N 3.46Å |
| 1452 | E | 86.3 | Confident | 89.6 | Confident | 114 Ų | 114 | 38.1 Ų | 38.1 | 53% | 0.533 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -114.8 | 2.5 | -171.7 | -71.9 | 143.8 | -122.5 | 0 | 0 | 112.3 | Q1449 V1450 L1466 | Q1449-E1452 PolarHBondContact NE2-OE1 3.07Å; Q1449-E1452 PolarHBondContact O-N 2.79Å; Q1449-E1452 VanDerWaalsContact O-N 3.09Å; V1450-E1452 VanDerWaalsContact C-N 3.26Å; V1450-E1452 PolarHBondContact O-N 3.5Å; E1452-L1466 VanDerWaalsContact C-CD2 3.44Å; E1452-L1466 VanDerWaalsContact O-CD2 3.32Å; E1452-L1466 WeakPolarHBondContact O-CD2 3.31Å |
| 1453 | H | 89.8 | Confident | 89.6 | Confident | 7 Ų | 7 | 31.9 Ų | 31.9 | 3% | 0.032 | 17% | 0.173 | C | C | . | . | trans | -105.4 | 131.3 | -171.7 | -174.8 | 65.4 | 0 | 0 | 0 | 112.7 | V1448 Q1449 G1455 Y1491 | V1448-H1453 HydrophobicContact CG2-CB 4.37Å; Q1449-H1453 WeakPolarHBondContact O-CB 3.46Å; Q1449-H1453 PolarHBondContact O-N 3.18Å; H1453-G1455 PolarHBondContact CD2-N 3.33Å; H1453-G1455 VanDerWaalsContact NE2-CA 3.27Å; H1453-G1455 WeakPolarHBondContact NE2-CA 3.48Å; H1453-G1455 PolarHBondContact NE2-N 3.37Å; H1453-Y1491 AromaticContact CE1-CD1 3.49Å; H1453-Y1491 VanDerWaalsContact CE1-CD1 3.49Å; H1453-Y1491 WeakPolarHBondContact CE1-CD1 3.4Å; H1453-Y1491 AromaticContact CE1-CD2 3.89Å; H1453-Y1491 AromaticContact CE1-CE1 3.62Å; H1453-Y1491 AromaticContact CE1-CE2 3.99Å; H1453-Y1491 AromaticContact CE1-CG 3.62Å; H1453-Y1491 AromaticContact CE1-CZ 3.84Å; H1453-Y1491 AromaticContact NE2-CD1 3.87Å; H1453-Y1491 AromaticContact NE2-CD2 3.38Å; H1453-Y1491 WeakPolarHBondContact NE2-CD2 3.45Å; H1453-Y1491 AromaticContact NE2-CE1 3.95Å; H1453-Y1491 AromaticContact NE2-CE2 3.45Å; H1453-Y1491 WeakPolarHBondContact NE2-CE2 3.46Å; H1453-Y1491 AromaticContact NE2-CG 3.58Å; H1453-Y1491 AromaticContact NE2-CZ 3.73Å | ||
| 1454 | S | 88.8 | Confident | 89.4 | Confident | 11 Ų | 11 | 32.2 Ų | 32.2 | 8% | 0.077 | 17% | 0.17 | C | C | . | . | trans | -97.9 | 0.1 | -178.7 | 65.3 | 0 | 0 | 0 | 0 | 115.2 | E1154 W1464 | E1154-S1454 WeakPolarHBondContact CG-OG 3.22Å; S1454-W1464 WeakPolarHBondContact O-CA 3.47Å | ||
| 1455 | G | 91.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -93.3 | -163.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | H1453 W1464 | H1453-G1455 PolarHBondContact CD2-N 3.33Å; H1453-G1455 VanDerWaalsContact NE2-CA 3.27Å; H1453-G1455 WeakPolarHBondContact NE2-CA 3.48Å; H1453-G1455 PolarHBondContact NE2-N 3.37Å; G1455-W1464 PolarHBondContact O-N 2.96Å; G1455-W1464 VanDerWaalsContact O-N 3.08Å |
| 1456 | W | 92.9 | Very high | 88 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -74.4 | 123.3 | 172.2 | 176.8 | -110.9 | 0 | 0 | 0 | 112.8 | H1403 D1404 S1405 G1458 A1460 S1463 W1464 Y1491 E1498 T1614 | H1403-W1456 HydrophobicContact CB-CB 4.11Å; H1403-W1456 HydrophobicContact CB-CD2 4.09Å; H1403-W1456 HydrophobicContact CB-CG 3.9Å; H1403-W1456 AromaticContact CD2-CD2 3.71Å; H1403-W1456 AromaticContact CD2-CE2 3.79Å; H1403-W1456 AromaticContact CD2-CE3 3.7Å; H1403-W1456 AromaticContact CD2-CH2 3.86Å; H1403-W1456 AromaticContact CD2-CZ2 3.89Å; H1403-W1456 AromaticContact CD2-CZ3 3.77Å; D1404-W1456 VanDerWaalsContact O-CD1 3.23Å; D1404-W1456 PolarHBondContact O-NE1 2.94Å; D1404-W1456 VanDerWaalsContact O-NE1 3.14Å; S1405-W1456 WeakPolarHBondContact OG-CZ2 3.34Å; S1405-W1456 PolarHBondContact OG-NE1 2.89Å; W1456-G1458 VanDerWaalsContact CE2-CA 3.47Å; W1456-G1458 WeakPolarHBondContact CZ2-O 3.35Å; W1456-A1460 HydrophobicContact CZ3-CB 4.35Å; W1456-S1463 WeakPolarHBondContact CZ3-OG 3.39Å; W1456-W1464 HydrophobicContact CB-CZ2 4.1Å; W1456-W1464 HydrophobicContact CD2-CH2 4.35Å; W1456-W1464 HydrophobicContact CD2-CZ2 4.14Å; W1456-W1464 AromaticContact CE3-CH2 3.27Å; W1456-W1464 HydrophobicContact CE3-CH2 3.27Å; W1456-W1464 AromaticContact CE3-CZ2 3.37Å; W1456-W1464 HydrophobicContact CE3-CZ2 3.37Å; W1456-W1464 AromaticContact CE3-CZ3 3.97Å; W1456-W1464 HydrophobicContact CE3-CZ3 3.97Å; W1456-W1464 HydrophobicContact CG-CZ2 4.46Å; W1456-W1464 AromaticContact CZ3-CH2 3.53Å; W1456-W1464 HydrophobicContact CZ3-CH2 3.53Å; W1456-W1464 HydrophobicContact CZ3-CZ2 4.13Å; W1456-W1464 AromaticContact CZ3-CZ3 3.98Å; W1456-W1464 HydrophobicContact CZ3-CZ3 3.98Å; W1456-Y1491 HydrophobicContact CB-CE2 4.41Å; W1456-Y1491 VanDerWaalsContact O-CD2 3.28Å; W1456-Y1491 WeakPolarHBondContact O-CD2 3.27Å; W1456-Y1491 WeakPolarHBondContact O-CE2 3.42Å; W1456-E1498 HydrophobicContact CB-CG 3.85Å; W1456-E1498 PolarHBondContact N-OE2 3.14Å; W1456-T1614 HydrophobicContact CH2-CG2 4.27Å; W1456-T1614 HydrophobicContact CZ2-CG2 3.86Å | ||
| 1457 | T | 91.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -98.1 | -5.5 | -176.3 | 59.3 | 0 | 0 | 0 | 0 | 114.4 | V1450 F1459 N1462 S1463 | V1450-T1457 HydrophobicContact CG1-CG2 4.09Å; T1457-F1459 PolarHBondContact OG1-N 3Å; T1457-F1459 PolarHBondContact OG1-O 3.4Å; T1457-F1459 VanDerWaalsContact OG1-O 3.12Å; T1457-N1462 WeakPolarHBondContact CB-OD1 3.44Å; T1457-N1462 PolarHBondContact OG1-OD1 3.31Å; T1457-S1463 PolarHBondContact N-OG 3.46Å; T1457-S1463 PolarHBondContact OG1-N 3.11Å; T1457-S1463 PolarHBondContact OG1-OG 3.19Å | ||
| 1458 | G | 90 | Very high | 85 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 94.5 | -15.8 | -164.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | W1456 | W1456-G1458 VanDerWaalsContact CE2-CA 3.47Å; W1456-G1458 WeakPolarHBondContact CZ2-O 3.35Å |
| 1459 | F | 89.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -132.9 | 129.8 | -177.9 | -59.5 | -87.2 | 0 | 0 | 0 | 112.6 | T1457 H1461 N1462 S1463 V1502 W1507 N1508 Y1511 R1613 T1614 | T1457-F1459 PolarHBondContact OG1-N 3Å; T1457-F1459 PolarHBondContact OG1-O 3.4Å; T1457-F1459 VanDerWaalsContact OG1-O 3.12Å; F1459-H1461 PolarHBondContact O-N 3.39Å; F1459-H1461 VanDerWaalsContact O-N 3.11Å; F1459-N1462 PolarHBondContact O-N 3.43Å; F1459-N1462 PolarHBondContact O-OD1 3.43Å; F1459-S1463 WeakPolarHBondContact O-CB 3.05Å; F1459-S1463 PolarHBondContact O-N 3.2Å; F1459-S1463 PolarHBondContact O-OG 3.41Å; F1459-V1502 HydrophobicContact CE2-CG1 4.21Å; F1459-V1502 HydrophobicContact CE2-CG2 4.45Å; F1459-V1502 HydrophobicContact CZ-CG1 4.43Å; F1459-W1507 HydrophobicContact CE2-CZ3 4.27Å; F1459-W1507 HydrophobicContact CZ-CZ3 4.27Å; F1459-N1508 VanDerWaalsContact CZ-ND2 3.29Å; F1459-N1508 WeakPolarHBondContact CZ-ND2 3.33Å; F1459-Y1511 HydrophobicContact CD1-CD1 4.33Å; F1459-Y1511 HydrophobicContact CD1-CE1 4.15Å; F1459-Y1511 HydrophobicContact CE1-CD1 4.49Å; F1459-R1613 WeakPolarHBondContact CE1-O 2.95Å; F1459-T1614 WeakPolarHBondContact CA-O 3.36Å |
| 1460 | A | 85.7 | Confident | 81.2 | Confident | 43 Ų | 43 | 40 Ų | 40 | 36% | 0.355 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -13.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114.9 | W1456 T1614 E1616 | W1456-A1460 HydrophobicContact CZ3-CB 4.35Å; A1460-T1614 PolarHBondContact N-O 3.36Å; A1460-E1616 HydrophobicContact CB-CG 4.13Å |
| 1461 | H | 84.2 | Confident | 79.2 | Confident | 75 Ų | 75 | 48.3 Ų | 48.3 | 35% | 0.347 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -19.1 | -177.9 | 81.5 | -82.6 | 0 | 0 | 0 | 114.3 | F1459 K1467 Y1511 | F1459-H1461 PolarHBondContact O-N 3.39Å; F1459-H1461 VanDerWaalsContact O-N 3.11Å; H1461-K1467 PolarHBondContact O-NZ 3.46Å; H1461-Y1511 AromaticContact CE1-CE2 3.48Å; H1461-Y1511 VanDerWaalsContact CE1-CE2 3.48Å; H1461-Y1511 WeakPolarHBondContact CE1-CE2 3.32Å; H1461-Y1511 AromaticContact CE1-CZ 3.82Å; H1461-Y1511 AromaticContact CG-CE2 3.97Å; H1461-Y1511 AromaticContact CG-CZ 3.99Å; H1461-Y1511 AromaticContact ND1-CE2 3.46Å; H1461-Y1511 WeakPolarHBondContact ND1-CE2 3.47Å; H1461-Y1511 AromaticContact ND1-CZ 3.35Å; H1461-Y1511 PolarHBondContact ND1-OH 3.24Å |
| 1462 | N | 88 | Confident | 77.3 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128 | -3.9 | -179.2 | 65.7 | 2.7 | 0 | 0 | 0 | 113.7 | V1450 T1457 F1459 G1485 | V1450-N1462 HydrophobicContact CG1-CB 4.26Å; V1450-N1462 WeakPolarHBondContact CG1-ND2 3.24Å; T1457-N1462 WeakPolarHBondContact CB-OD1 3.44Å; T1457-N1462 PolarHBondContact OG1-OD1 3.31Å; F1459-N1462 PolarHBondContact O-N 3.43Å; F1459-N1462 PolarHBondContact O-OD1 3.43Å; N1462-G1485 PolarHBondContact ND2-O 3.42Å; N1462-G1485 VanDerWaalsContact ND2-O 3.1Å |
| 1463 | S | 88.6 | Confident | 75.5 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.028 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 152.8 | 166.1 | -65 | 0 | 0 | 0 | 0 | 112.7 | W1456 T1457 F1459 S1465 | W1456-S1463 WeakPolarHBondContact CZ3-OG 3.39Å; T1457-S1463 PolarHBondContact N-OG 3.46Å; T1457-S1463 PolarHBondContact OG1-N 3.11Å; T1457-S1463 PolarHBondContact OG1-OG 3.19Å; F1459-S1463 WeakPolarHBondContact O-CB 3.05Å; F1459-S1463 PolarHBondContact O-N 3.2Å; F1459-S1463 PolarHBondContact O-OG 3.41Å; S1463-S1465 PolarHBondContact O-N 3.04Å; S1463-S1465 VanDerWaalsContact O-N 3.08Å |
| 1464 | W | 85.9 | Confident | 73.4 | Confident | 53 Ų | 53 | 63.7 Ų | 63.7 | 20% | 0.201 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 30.8 | 171.7 | -42.3 | -63.6 | 0 | 0 | 0 | 115.1 | K1397 H1403 S1454 G1455 W1456 E1498 | K1397-W1464 VanDerWaalsContact O-CE3 3.31Å; H1403-W1464 HydrophobicContact CB-CZ2 3.99Å; H1403-W1464 AromaticContact CD2-CH2 3.95Å; H1403-W1464 AromaticContact CE1-CH2 3.94Å; H1403-W1464 AromaticContact CG-CH2 3.95Å; H1403-W1464 AromaticContact CG-CZ2 3.85Å; H1403-W1464 AromaticContact ND1-CH2 3.97Å; H1403-W1464 AromaticContact NE2-CH2 3.95Å; S1454-W1464 WeakPolarHBondContact O-CA 3.47Å; G1455-W1464 PolarHBondContact O-N 2.96Å; G1455-W1464 VanDerWaalsContact O-N 3.08Å; W1456-W1464 HydrophobicContact CB-CZ2 4.1Å; W1456-W1464 HydrophobicContact CD2-CH2 4.35Å; W1456-W1464 HydrophobicContact CD2-CZ2 4.14Å; W1456-W1464 AromaticContact CE3-CH2 3.27Å; W1456-W1464 HydrophobicContact CE3-CH2 3.27Å; W1456-W1464 AromaticContact CE3-CZ2 3.37Å; W1456-W1464 HydrophobicContact CE3-CZ2 3.37Å; W1456-W1464 AromaticContact CE3-CZ3 3.97Å; W1456-W1464 HydrophobicContact CE3-CZ3 3.97Å; W1456-W1464 HydrophobicContact CG-CZ2 4.46Å; W1456-W1464 AromaticContact CZ3-CH2 3.53Å; W1456-W1464 HydrophobicContact CZ3-CH2 3.53Å; W1456-W1464 HydrophobicContact CZ3-CZ2 4.13Å; W1456-W1464 AromaticContact CZ3-CZ3 3.98Å; W1456-W1464 HydrophobicContact CZ3-CZ3 3.98Å; W1464-E1498 PolarHBondContact NE1-OE1 2.85Å |
| 1465 | S | 78.9 | Confident | 71.3 | Confident | 30 Ų | 30 | 72.8 Ų | 72.8 | 21% | 0.21 | 38% | 0.381 | C | S | . | . | trans | -149.9 | 102 | -175 | -170.7 | 0 | 0 | 0 | 0 | 111.7 | S1463 K1467 | S1463-S1465 PolarHBondContact O-N 3.04Å; S1463-S1465 VanDerWaalsContact O-N 3.08Å; S1465-K1467 VanDerWaalsContact C-N 3.3Å; S1465-K1467 PolarHBondContact O-N 3.09Å | ||
| 1466 | L | 77 | Confident | 69.1 | Low | 86 Ų | 86 | 76.5 Ų | 76.5 | 45% | 0.45 | 41% | 0.407 | S | S | . | . | trans | -72.6 | 81.5 | 175.7 | -66.9 | 175.4 | 0 | 0 | 0 | 111.1 | L1159 E1452 G1468 | L1159-L1466 HydrophobicContact CD1-CD1 3.98Å; L1159-L1466 HydrophobicContact CD2-CD1 4.1Å; L1159-L1466 HydrophobicContact CG-CD1 4.49Å; E1452-L1466 VanDerWaalsContact C-CD2 3.44Å; E1452-L1466 VanDerWaalsContact O-CD2 3.32Å; E1452-L1466 WeakPolarHBondContact O-CD2 3.31Å; L1466-G1468 PolarHBondContact O-N 3.08Å | ||
| 1467 | K | 65.4 | Low | 67 | Low | 120 Ų | 120 | 83.2 Ų | 83.2 | 52% | 0.522 | 45% | 0.448 | S | S | . | . | trans | -81.7 | 88.2 | 170.4 | -67.2 | 171.5 | -174 | 166.1 | 0 | 108.3 | H1461 S1465 | H1461-K1467 PolarHBondContact O-NZ 3.46Å; S1465-K1467 VanDerWaalsContact C-N 3.3Å; S1465-K1467 PolarHBondContact O-N 3.09Å | ||
| 1468 | G | 55.3 | Low | 65.1 | Low | 65 Ų | 65 | 84.8 Ų | 84.8 | 67% | 0.67 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -47.6 | 142.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1466 P1470 | L1466-G1468 PolarHBondContact O-N 3.08Å; G1468-P1470 WeakPolarHBondContact O-CD 3.34Å |
| 1469 | T | 50.3 | Low | 63.9 | Low | 72 Ų | 72 | 86.3 Ų | 86.3 | 44% | 0.442 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 122.7 | -170.3 | 34 | 0 | 0 | 0 | 0 | 112.3 | E1471 | T1469-E1471 PolarHBondContact O-N 3.25Š|
| 1470 | P | 49.8 | Very low | 63 | Low | 94 Ų | 94 | 93.5 Ų | 93.5 | 61% | 0.61 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 128.6 | 161.3 | 28.7 | -31.8 | 0 | 0 | 0 | 108.2 | G1468 E1472 | G1468-P1470 WeakPolarHBondContact O-CD 3.34Å; P1470-E1472 PolarHBondContact O-N 2.98Å |
| 1471 | E | 47.5 | Very low | 62.5 | Low | 184 Ų | 184 | 92.7 Ų | 92.7 | 86% | 0.86 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -63.2 | -10.3 | -162.6 | -61 | -178.5 | 117.3 | 0 | 0 | 115.3 | T1469 | T1469-E1471 PolarHBondContact O-N 3.25Š|
| 1472 | E | 46.3 | Very low | 62.6 | Low | 187 Ų | 187 | 90.9 Ų | 90.9 | 87% | 0.874 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -83.7 | -14.7 | -169.2 | -60.4 | -168.2 | 126.2 | 0 | 0 | 115.8 | P1470 | P1470-E1472 PolarHBondContact O-N 2.98Š|
| 1473 | Q | 48.4 | Very low | 62.8 | Low | 150 Ų | 150 | 90.9 Ų | 90.9 | 70% | 0.701 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -92.2 | -1 | -171.3 | -69.3 | -162.7 | -11.6 | 0 | 0 | 116.4 | K1475 | Q1473-K1475 PolarHBondContact O-N 3.42Š|
| 1474 | L | 45.9 | Very low | 62.9 | Low | 146 Ų | 146 | 91 Ų | 91 | 76% | 0.764 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 29.6 | -171 | -98.8 | 162.4 | 0 | 0 | 0 | 116.5 | ||
| 1475 | K | 43.6 | Very low | 63 | Low | 201 Ų | 201 | 88.5 Ų | 88.5 | 87% | 0.874 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.8 | 2.8 | -172.4 | -77.6 | -175.4 | 177.9 | 171.2 | 0 | 117.7 | Q1473 | Q1473-K1475 PolarHBondContact O-N 3.42Š|
| 1476 | S | 46.8 | Very low | 63.4 | Low | 78 Ų | 78 | 88.8 Ų | 88.8 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | trans | -79.6 | 127.7 | 167.8 | 55.6 | 0 | 0 | 0 | 0 | 111 | A1478 | S1476-A1478 PolarHBondContact O-N 3.08Š| ||
| 1477 | T | 47.4 | Very low | 63.8 | Low | 141 Ų | 141 | 88.4 Ų | 88.4 | 87% | 0.865 | 47% | 0.474 | S | S | * | . | trans | -69.7 | 77.1 | 167.8 | 45.5 | 0 | 0 | 0 | 0 | 110.1 | N1479 | T1477-N1479 PolarHBondContact O-N 3.25Š| ||
| 1478 | A | 52.8 | Low | 65 | Low | 34 Ų | 34 | 86.4 Ų | 86.4 | 28% | 0.281 | 46% | 0.463 | S | S | . | . | trans | -66.4 | 124.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1476 E1480 | S1476-A1478 PolarHBondContact O-N 3.08Å; A1478-E1480 PolarHBondContact O-N 2.99Å | ||
| 1479 | N | 64.1 | Low | 66.8 | Low | 32 Ų | 32 | 83.3 Ų | 83.3 | 17% | 0.171 | 43% | 0.431 | C | S | . | . | trans | -53 | 123 | 175.1 | -173.7 | -5.4 | 0 | 0 | 0 | 110.7 | E1427 S1430 T1477 L1481 N1482 | E1427-N1479 HydrophobicContact CG-CB 4.4Å; S1430-N1479 PolarHBondContact OG-ND2 3.1Å; S1430-N1479 VanDerWaalsContact OG-ND2 3.14Å; S1430-N1479 PolarHBondContact OG-OD1 2.84Å; T1477-N1479 PolarHBondContact O-N 3.25Å; N1479-L1481 PolarHBondContact O-N 3.44Å; N1479-N1482 HydrophobicContact CB-CB 4.46Å; N1479-N1482 WeakPolarHBondContact O-CB 3.48Å; N1479-N1482 PolarHBondContact O-N 3.04Å | ||
| 1480 | E | 70.7 | Confident | 69 | Low | 151 Ų | 151 | 80 Ų | 80 | 71% | 0.706 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.1 | -168.3 | -63.2 | -170.1 | 146.4 | 0 | 0 | 114 | A1478 Y1483 | A1478-E1480 PolarHBondContact O-N 2.99Å; E1480-Y1483 PolarHBondContact O-OH 2.98Å |
| 1481 | L | 76.3 | Confident | 71.1 | Confident | 27 Ų | 27 | 75.6 Ų | 75.6 | 14% | 0.141 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 3.7 | 179.7 | -60.8 | 176.9 | 0 | 0 | 0 | 114.3 | M1425 A1438 L1441 N1479 Y1483 | M1425-L1481 HydrophobicContact CE-CB 4.15Å; A1438-L1481 HydrophobicContact CB-CD2 4.2Å; L1441-L1481 HydrophobicContact CD1-CD2 4.28Å; N1479-L1481 PolarHBondContact O-N 3.44Å; L1481-Y1483 VanDerWaalsContact C-N 3.32Å; L1481-Y1483 HydrophobicContact CD2-CE2 4.4Å; L1481-Y1483 VanDerWaalsContact O-CD2 3.31Å; L1481-Y1483 WeakPolarHBondContact O-CD2 3.35Å; L1481-Y1483 PolarHBondContact O-N 3.13Å |
| 1482 | N | 86.5 | Confident | 73.4 | Confident | 37 Ų | 37 | 68.5 Ų | 68.5 | 20% | 0.198 | 35% | 0.347 | C | S | . | . | trans | -78.4 | 72.4 | -177 | -174.1 | 20.9 | 0 | 0 | 0 | 113.3 | N1479 N1484 | N1479-N1482 HydrophobicContact CB-CB 4.46Å; N1479-N1482 WeakPolarHBondContact O-CB 3.48Å; N1479-N1482 PolarHBondContact O-N 3.04Å; N1482-N1484 VanDerWaalsContact C-N 3.26Å; N1482-N1484 PolarHBondContact O-N 3.11Å; N1482-N1484 WeakPolarHBondContact OD1-CB 3.46Å; N1482-N1484 VanDerWaalsContact OD1-CG 3.31Å | ||
| 1483 | Y | 91.6 | Very high | 75.7 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | trans | -88.6 | 42.6 | 178.2 | -59.8 | -70.7 | 0 | 0 | 0 | 113.2 | P1447 E1480 L1481 G1485 R1488 L1490 V1502 V1503 | P1447-Y1483 HydrophobicContact CB-CE1 3.69Å; E1480-Y1483 PolarHBondContact O-OH 2.98Å; L1481-Y1483 VanDerWaalsContact C-N 3.32Å; L1481-Y1483 HydrophobicContact CD2-CE2 4.4Å; L1481-Y1483 VanDerWaalsContact O-CD2 3.31Å; L1481-Y1483 WeakPolarHBondContact O-CD2 3.35Å; L1481-Y1483 PolarHBondContact O-N 3.13Å; Y1483-G1485 VanDerWaalsContact C-N 3.26Å; Y1483-G1485 PolarHBondContact O-N 3.09Å; Y1483-R1488 CarbonylContact C-O 3.58Å; Y1483-R1488 WeakPolarHBondContact CA-O 3.48Å; Y1483-R1488 HydrophobicContact CD1-CB 3.98Å; Y1483-R1488 HydrophobicContact CE1-CB 4.33Å; Y1483-L1490 HydrophobicContact CD1-CD1 4.36Å; Y1483-L1490 HydrophobicContact CD1-CD2 4.41Å; Y1483-L1490 HydrophobicContact CD1-CG 3.75Å; Y1483-L1490 HydrophobicContact CD2-CD1 3.78Å; Y1483-L1490 HydrophobicContact CD2-CG 4.08Å; Y1483-L1490 HydrophobicContact CE1-CD2 4.06Å; Y1483-L1490 HydrophobicContact CE1-CG 3.9Å; Y1483-L1490 HydrophobicContact CE2-CD1 4.04Å; Y1483-L1490 HydrophobicContact CE2-CD2 4.5Å; Y1483-L1490 HydrophobicContact CE2-CG 4.22Å; Y1483-L1490 HydrophobicContact CG-CD1 3.95Å; Y1483-L1490 HydrophobicContact CG-CG 3.84Å; Y1483-V1502 CarbonylContact O-C 3.23Å; Y1483-V1502 WeakPolarHBondContact O-CA 3.48Å; Y1483-V1503 HydrophobicContact CD2-CG2 4.41Å; Y1483-V1503 PolarHBondContact O-N 3.3Å | ||
| 1484 | N | 90.3 | Very high | 77.7 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.032 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -76.2 | -2.6 | -172.4 | 73.8 | -10.2 | 0 | 0 | 0 | 115.7 | N1482 S1486 R1488 V1503 T1505 N1508 | N1482-N1484 VanDerWaalsContact C-N 3.26Å; N1482-N1484 PolarHBondContact O-N 3.11Å; N1482-N1484 WeakPolarHBondContact OD1-CB 3.46Å; N1482-N1484 VanDerWaalsContact OD1-CG 3.31Å; N1484-S1486 VanDerWaalsContact C-N 3.3Å; N1484-S1486 PolarHBondContact ND2-OG 2.94Å; N1484-S1486 PolarHBondContact O-N 3.39Å; N1484-S1486 PolarHBondContact OD1-N 3.46Å; N1484-S1486 PolarHBondContact OD1-OG 3.5Å; N1484-R1488 PolarHBondContact N-O 2.9Å; N1484-V1503 WeakPolarHBondContact CA-O 3.31Å; N1484-T1505 HydrophobicContact CB-CG2 3.84Å; N1484-N1508 PolarHBondContact O-ND2 2.96Å |
| 1485 | G | 88.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 77.5 | 3.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | N1462 Y1483 R1488 | N1462-G1485 PolarHBondContact ND2-O 3.42Å; N1462-G1485 VanDerWaalsContact ND2-O 3.1Å; Y1483-G1485 VanDerWaalsContact C-N 3.26Å; Y1483-G1485 PolarHBondContact O-N 3.09Å; G1485-R1488 WeakPolarHBondContact CA-O 3.49Å; G1485-R1488 PolarHBondContact N-O 3.45Å |
| 1486 | S | 87.3 | Confident | 82 | Confident | 37 Ų | 37 | 39.4 Ų | 39.4 | 26% | 0.259 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -92.5 | -40.4 | 172 | 83.5 | 0 | 0 | 0 | 0 | 112.4 | N1484 W1507 | N1484-S1486 VanDerWaalsContact C-N 3.3Å; N1484-S1486 PolarHBondContact ND2-OG 2.94Å; N1484-S1486 PolarHBondContact O-N 3.39Å; N1484-S1486 PolarHBondContact OD1-N 3.46Å; N1484-S1486 PolarHBondContact OD1-OG 3.5Å; S1486-W1507 VanDerWaalsContact CB-CZ2 3.47Å |
| 1487 | Q | 85.3 | Confident | 84.2 | Confident | 78 Ų | 78 | 35.7 Ų | 35.7 | 36% | 0.364 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -118.5 | -42 | 178.3 | -74.3 | -177.3 | -26.2 | 0 | 0 | 112.7 | V1450 | V1450-Q1487 PolarHBondContact N-O 3.49Š|
| 1488 | R | 91.3 | Very high | 86.4 | Confident | 78 Ų | 78 | 29.1 Ų | 29.1 | 29% | 0.294 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 155.5 | 178.4 | -67 | -178.8 | 177.4 | 173.3 | -0.4 | 111.1 | V1448 Y1483 N1484 G1485 | V1448-R1488 VanDerWaalsContact O-CA 3.31Å; V1448-R1488 WeakPolarHBondContact O-CA 3.43Å; Y1483-R1488 CarbonylContact C-O 3.58Å; Y1483-R1488 WeakPolarHBondContact CA-O 3.48Å; Y1483-R1488 HydrophobicContact CD1-CB 3.98Å; Y1483-R1488 HydrophobicContact CE1-CB 4.33Å; N1484-R1488 PolarHBondContact N-O 2.9Å; G1485-R1488 WeakPolarHBondContact CA-O 3.49Å; G1485-R1488 PolarHBondContact N-O 3.45Å |
| 1489 | V | 93.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 156 | 172.8 | 66.7 | 0 | 0 | 0 | 0 | 109.3 | V1448 V1450 A1500 F1501 V1502 | V1448-V1489 HydrophobicContact CG2-CG1 3.54Å; V1448-V1489 PolarHBondContact N-O 3.4Å; V1448-V1489 PolarHBondContact O-N 3.33Å; V1448-V1489 VanDerWaalsContact O-N 3.12Å; V1450-V1489 HydrophobicContact CG2-CG1 4.3Å; V1489-A1500 HydrophobicContact CG2-CB 3.94Å; V1489-F1501 WeakPolarHBondContact CG2-O 3.38Å; V1489-V1502 HydrophobicContact CG2-CG2 4.12Å |
| 1490 | L | 95.3 | Very high | 90 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 111.3 | 169.7 | -76.1 | 160.9 | 0 | 0 | 0 | 108 | L1441 G1445 P1447 Y1483 F1501 | L1441-L1490 HydrophobicContact CB-CD1 4.01Å; L1441-L1490 HydrophobicContact CD2-CD1 4.09Å; G1445-L1490 WeakPolarHBondContact O-CD2 3.43Å; P1447-L1490 HydrophobicContact CB-CD2 4.12Å; Y1483-L1490 HydrophobicContact CD1-CD1 4.36Å; Y1483-L1490 HydrophobicContact CD1-CD2 4.41Å; Y1483-L1490 HydrophobicContact CD1-CG 3.75Å; Y1483-L1490 HydrophobicContact CD2-CD1 3.78Å; Y1483-L1490 HydrophobicContact CD2-CG 4.08Å; Y1483-L1490 HydrophobicContact CE1-CD2 4.06Å; Y1483-L1490 HydrophobicContact CE1-CG 3.9Å; Y1483-L1490 HydrophobicContact CE2-CD1 4.04Å; Y1483-L1490 HydrophobicContact CE2-CD2 4.5Å; Y1483-L1490 HydrophobicContact CE2-CG 4.22Å; Y1483-L1490 HydrophobicContact CG-CD1 3.95Å; Y1483-L1490 HydrophobicContact CG-CG 3.84Å; L1490-F1501 HydrophobicContact CB-CB 3.92Å; L1490-F1501 PolarHBondContact N-O 3.45Å; L1490-F1501 PolarHBondContact O-N 3.42Å |
| 1491 | Y | 95.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.008 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 147.5 | -174.2 | -178.3 | -102.6 | 0 | 0 | 0 | 111.8 | E1154 R1401 G1445 W1446 H1453 W1456 A1493 E1498 | E1154-Y1491 HydrophobicContact CB-CE1 4.18Å; R1401-Y1491 PolarHBondContact NH1-OH 2.7Å; G1445-Y1491 CarbonylContact C-O 3.58Å; G1445-Y1491 WeakPolarHBondContact CA-O 3.48Å; W1446-Y1491 AromaticContact CE3-CD1 3.87Å; W1446-Y1491 HydrophobicContact CE3-CD1 3.87Å; W1446-Y1491 VanDerWaalsContact CE3-O 3.31Å; W1446-Y1491 AromaticContact CZ3-CD1 3.84Å; W1446-Y1491 HydrophobicContact CZ3-CD1 3.84Å; W1446-Y1491 HydrophobicContact CZ3-CE1 4.13Å; W1446-Y1491 PolarHBondContact N-O 3.14Å; W1446-Y1491 PolarHBondContact O-N 3.2Å; H1453-Y1491 AromaticContact CE1-CD1 3.49Å; H1453-Y1491 VanDerWaalsContact CE1-CD1 3.49Å; H1453-Y1491 WeakPolarHBondContact CE1-CD1 3.4Å; H1453-Y1491 AromaticContact CE1-CD2 3.89Å; H1453-Y1491 AromaticContact CE1-CE1 3.62Å; H1453-Y1491 AromaticContact CE1-CE2 3.99Å; H1453-Y1491 AromaticContact CE1-CG 3.62Å; H1453-Y1491 AromaticContact CE1-CZ 3.84Å; H1453-Y1491 AromaticContact NE2-CD1 3.87Å; H1453-Y1491 AromaticContact NE2-CD2 3.38Å; H1453-Y1491 WeakPolarHBondContact NE2-CD2 3.45Å; H1453-Y1491 AromaticContact NE2-CE1 3.95Å; H1453-Y1491 AromaticContact NE2-CE2 3.45Å; H1453-Y1491 WeakPolarHBondContact NE2-CE2 3.46Å; H1453-Y1491 AromaticContact NE2-CG 3.58Å; H1453-Y1491 AromaticContact NE2-CZ 3.73Å; W1456-Y1491 HydrophobicContact CB-CE2 4.41Å; W1456-Y1491 VanDerWaalsContact O-CD2 3.28Å; W1456-Y1491 WeakPolarHBondContact O-CD2 3.27Å; W1456-Y1491 WeakPolarHBondContact O-CE2 3.42Å; Y1491-A1493 HydrophobicContact CE1-CB 3.72Å; Y1491-A1493 WeakPolarHBondContact OH-CB 3.38Å; Y1491-E1498 HydrophobicContact CE2-CB 3.9Å; Y1491-E1498 WeakPolarHBondContact OH-CB 3.4Å; Y1491-E1498 PolarHBondContact OH-OE2 3.43Å |
| 1492 | W | 95.2 | Very high | 92.1 | Very high | 35 Ų | 35 | 17.5 Ų | 17.5 | 13% | 0.133 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 146.8 | 164.7 | 175 | 93.7 | 0 | 0 | 0 | 110.5 | W1446 D1494 E1498 I1499 R1675 L1679 | W1446-W1492 AromaticContact CH2-CD1 3.91Å; W1446-W1492 HydrophobicContact CH2-CG 4.36Å; W1446-W1492 AromaticContact CZ2-CD1 3.7Å; W1492-D1494 HydrophobicContact CH2-CB 3.71Å; W1492-D1494 WeakPolarHBondContact CH2-OD2 3.44Å; W1492-D1494 HydrophobicContact CZ2-CB 4.11Å; W1492-E1498 WeakPolarHBondContact O-CA 3.45Å; W1492-I1499 HydrophobicContact CB-CG2 3.96Å; W1492-I1499 HydrophobicContact CE3-CG2 3.86Å; W1492-I1499 PolarHBondContact N-O 3.13Å; W1492-I1499 PolarHBondContact O-N 2.93Å; W1492-R1675 HydrophobicContact CD2-CG 4.48Å; W1492-R1675 HydrophobicContact CE3-CG 4.49Å; W1492-R1675 VanDerWaalsContact CG-CD 3.43Å; W1492-L1679 HydrophobicContact CE3-CD1 4.15Å; W1492-L1679 HydrophobicContact CH2-CD1 3.94Å; W1492-L1679 HydrophobicContact CZ3-CD1 3.51Å; W1492-L1679 HydrophobicContact CZ3-CD2 4.18Å; W1492-L1679 HydrophobicContact CZ3-CG 4.48Å |
| 1493 | A | 93.8 | Very high | 92.5 | Very high | 5 Ų | 5 | 15.8 Ų | 15.8 | 4% | 0.041 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 157.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y1491 S1497 E1498 | Y1491-A1493 HydrophobicContact CE1-CB 3.72Å; Y1491-A1493 WeakPolarHBondContact OH-CB 3.38Å; A1493-S1497 CarbonylContact C-O 3.58Å; A1493-S1497 VanDerWaalsContact CA-O 3.26Å; A1493-S1497 WeakPolarHBondContact CA-O 3.44Å; A1493-E1498 HydrophobicContact CB-CB 3.87Å |
| 1494 | D | 90.9 | Very high | 92.5 | Very high | 17 Ų | 17 | 15.1 Ų | 15.1 | 9% | 0.091 | 8% | 0.077 | C | C | . | . | trans | -120.3 | -173.5 | 157.9 | 70.9 | 34.5 | 0 | 0 | 0 | 110.4 | R1025 R1401 W1492 S1496 S1497 R1683 | R1025-D1494 IonicContact CZ-OD2 3.5Å; R1025-D1494 IonicContact NH1-OD2 2.79Å; R1025-D1494 PolarHBondContact NH1-OD2 3.32Å; R1025-D1494 IonicContact NH2-OD2 2.68Å; R1025-D1494 PolarHBondContact NH2-OD2 3.29Å; R1401-D1494 PolarHBondContact NE-O 3.42Å; R1401-D1494 PolarHBondContact NH2-O 3.45Å; W1492-D1494 HydrophobicContact CH2-CB 3.71Å; W1492-D1494 WeakPolarHBondContact CH2-OD2 3.44Å; W1492-D1494 HydrophobicContact CZ2-CB 4.11Å; D1494-S1496 PolarHBondContact O-N 3.22Å; D1494-S1496 VanDerWaalsContact O-N 3.12Å; D1494-S1496 WeakPolarHBondContact OD1-CA 3.43Å; D1494-S1496 WeakPolarHBondContact OD1-CB 3.29Å; D1494-S1496 PolarHBondContact OD1-N 2.92Å; D1494-S1496 PolarHBondContact OD1-OG 3.37Å; D1494-S1497 PolarHBondContact N-O 3.28Å; D1494-S1497 PolarHBondContact OD1-N 2.97Å; D1494-R1683 IonicContact OD2-NH2 3.86Å | ||
| 1495 | V | 90.4 | Very high | 92.5 | Very high | 14 Ų | 14 | 15.6 Ų | 15.6 | 9% | 0.085 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -55.7 | -27.2 | 178.5 | 68.9 | 0 | 0 | 0 | 0 | 114.3 | M1078 I1139 Q1143 | M1078-V1495 HydrophobicContact CE-CB 3.96Å; M1078-V1495 HydrophobicContact CE-CG1 4.08Å; M1078-V1495 HydrophobicContact CE-CG2 4.35Å; M1078-V1495 HydrophobicContact CG-CG1 3.8Å; M1078-V1495 HydrophobicContact SD-CB 4.42Å; M1078-V1495 HydrophobicContact SD-CG1 4.06Å; I1139-V1495 HydrophobicContact CD1-CG1 4.08Å; I1139-V1495 HydrophobicContact CG1-CG1 4.47Å; I1139-V1495 HydrophobicContact CG1-CG2 4.28Å; Q1143-V1495 HydrophobicContact CB-CG2 3.6Å; Q1143-V1495 HydrophobicContact CG-CG2 3.48Å; Q1143-V1495 VanDerWaalsContact CG-CG2 3.48Å |
| 1496 | S | 89.6 | Confident | 92.5 | Very high | 37 Ų | 37 | 19.8 Ų | 19.8 | 26% | 0.259 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -110.9 | -25.5 | -168.6 | 72.2 | 0 | 0 | 0 | 0 | 114.5 | T1402 D1494 | T1402-S1496 PolarHBondContact N-O 2.89Å; T1402-S1496 PolarHBondContact OG1-O 3.06Å; D1494-S1496 PolarHBondContact O-N 3.22Å; D1494-S1496 VanDerWaalsContact O-N 3.12Å; D1494-S1496 WeakPolarHBondContact OD1-CA 3.43Å; D1494-S1496 WeakPolarHBondContact OD1-CB 3.29Å; D1494-S1496 PolarHBondContact OD1-N 2.92Å; D1494-S1496 PolarHBondContact OD1-OG 3.37Å |
| 1497 | S | 92.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.007 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 133.7 | -163.4 | -49.6 | 0 | 0 | 0 | 0 | 109.9 | T1402 A1493 D1494 R1683 | T1402-S1497 CarbonylContact O-C 3.52Å; T1402-S1497 WeakPolarHBondContact O-CA 3.27Å; A1493-S1497 CarbonylContact C-O 3.58Å; A1493-S1497 VanDerWaalsContact CA-O 3.26Å; A1493-S1497 WeakPolarHBondContact CA-O 3.44Å; D1494-S1497 PolarHBondContact N-O 3.28Å; D1494-S1497 PolarHBondContact OD1-N 2.97Å; S1497-R1683 PolarHBondContact OG-NH2 2.9Å |
| 1498 | E | 94.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 1% | 0.014 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.7 | 170.3 | 58.7 | -176.5 | 154.2 | 0 | 0 | 110.6 | S1399 R1401 T1402 H1403 D1404 W1456 W1464 Y1491 W1492 A1493 | S1399-E1498 PolarHBondContact OG-OE1 2.84Å; R1401-E1498 HydrophobicContact CB-CG 4.03Å; T1402-E1498 PolarHBondContact O-N 3.43Å; H1403-E1498 CarbonylContact C-O 3.5Å; H1403-E1498 WeakPolarHBondContact CA-O 3.42Å; H1403-E1498 HydrophobicContact CB-CG 3.84Å; D1404-E1498 PolarHBondContact N-O 3.41Å; W1456-E1498 HydrophobicContact CB-CG 3.85Å; W1456-E1498 PolarHBondContact N-OE2 3.14Å; W1464-E1498 PolarHBondContact NE1-OE1 2.85Å; Y1491-E1498 HydrophobicContact CE2-CB 3.9Å; Y1491-E1498 WeakPolarHBondContact OH-CB 3.4Å; Y1491-E1498 PolarHBondContact OH-OE2 3.43Å; W1492-E1498 WeakPolarHBondContact O-CA 3.45Å; A1493-E1498 HydrophobicContact CB-CB 3.87Å |
| 1499 | I | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 133.4 | -175.5 | -160.8 | 168 | 0 | 0 | 0 | 111 | D1404 V1406 W1492 F1501 R1675 A1678 L1679 | D1404-I1499 HydrophobicContact CB-CB 4.47Å; D1404-I1499 HydrophobicContact CB-CD1 4.29Å; D1404-I1499 HydrophobicContact CB-CG1 3.93Å; D1404-I1499 WeakPolarHBondContact O-CA 3.34Å; V1406-I1499 HydrophobicContact CG2-CD1 3.76Å; V1406-I1499 HydrophobicContact CG2-CG1 4.19Å; W1492-I1499 HydrophobicContact CB-CG2 3.96Å; W1492-I1499 HydrophobicContact CE3-CG2 3.86Å; W1492-I1499 PolarHBondContact N-O 3.13Å; W1492-I1499 PolarHBondContact O-N 2.93Å; I1499-F1501 HydrophobicContact CD1-CZ 4.23Å; I1499-F1501 HydrophobicContact CG2-CD2 4.37Å; I1499-F1501 HydrophobicContact CG2-CE2 3.69Å; I1499-F1501 HydrophobicContact CG2-CZ 4.28Å; I1499-R1675 HydrophobicContact CG2-CG 4.46Å; I1499-A1678 HydrophobicContact CD1-CB 3.95Å; I1499-L1679 HydrophobicContact CB-CD2 4.38Å; I1499-L1679 HydrophobicContact CD1-CD2 4.18Å; I1499-L1679 HydrophobicContact CD1-CG 4.25Å |
| 1500 | A | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 123.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110 | D1404 S1405 V1406 V1489 V1502 | D1404-A1500 PolarHBondContact O-N 3.35Å; S1405-A1500 WeakPolarHBondContact CA-O 3.4Å; V1406-A1500 PolarHBondContact N-O 2.96Å; V1489-A1500 HydrophobicContact CG2-CB 3.94Å; A1500-V1502 HydrophobicContact CB-CG2 4.43Å |
| 1501 | F | 96.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 107.4 | 167.6 | -61.1 | -93.4 | 0 | 0 | 0 | 108.3 | V1406 V1408 L1444 V1489 L1490 I1499 R1675 | V1406-F1501 HydrophobicContact CB-CD1 3.56Å; V1406-F1501 HydrophobicContact CB-CE1 3.85Å; V1406-F1501 HydrophobicContact CB-CG 4.38Å; V1406-F1501 HydrophobicContact CG1-CD1 3.77Å; V1406-F1501 HydrophobicContact CG1-CE1 3.99Å; V1406-F1501 HydrophobicContact CG2-CD1 4.09Å; V1406-F1501 HydrophobicContact CG2-CE1 3.87Å; V1406-F1501 WeakPolarHBondContact O-CA 3.39Å; V1408-F1501 HydrophobicContact CG2-CB 4.26Å; V1408-F1501 HydrophobicContact CG2-CD1 4.39Å; L1444-F1501 HydrophobicContact CB-CD1 4.1Å; L1444-F1501 HydrophobicContact CB-CD2 3.92Å; L1444-F1501 HydrophobicContact CB-CE1 4.18Å; L1444-F1501 HydrophobicContact CB-CE2 3.99Å; L1444-F1501 HydrophobicContact CB-CG 3.98Å; L1444-F1501 HydrophobicContact CB-CZ 4.12Å; L1444-F1501 HydrophobicContact CD1-CB 4.38Å; L1444-F1501 HydrophobicContact CD1-CD1 3.82Å; L1444-F1501 HydrophobicContact CD1-CE1 4.32Å; L1444-F1501 HydrophobicContact CD1-CG 4.15Å; L1444-F1501 HydrophobicContact CD2-CD1 4.21Å; L1444-F1501 HydrophobicContact CD2-CE1 3.86Å; L1444-F1501 HydrophobicContact CD2-CZ 4.25Å; L1444-F1501 HydrophobicContact CG-CD1 4.28Å; L1444-F1501 HydrophobicContact CG-CE1 4.35Å; L1444-F1501 VanDerWaalsContact O-CE2 3.22Å; L1444-F1501 WeakPolarHBondContact O-CE2 3.47Å; V1489-F1501 WeakPolarHBondContact CG2-O 3.38Å; L1490-F1501 HydrophobicContact CB-CB 3.92Å; L1490-F1501 PolarHBondContact N-O 3.45Å; L1490-F1501 PolarHBondContact O-N 3.42Å; I1499-F1501 HydrophobicContact CD1-CZ 4.23Å; I1499-F1501 HydrophobicContact CG2-CD2 4.37Å; I1499-F1501 HydrophobicContact CG2-CE2 3.69Å; I1499-F1501 HydrophobicContact CG2-CZ 4.28Å; F1501-R1675 HydrophobicContact CE2-CG 4.36Å; F1501-R1675 HydrophobicContact CZ-CB 3.99Å; F1501-R1675 HydrophobicContact CZ-CG 4.04Å |
| 1502 | V | 95.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 131.9 | -178.7 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | V1406 Y1407 V1408 F1459 Y1483 V1489 A1500 P1504 | V1406-V1502 PolarHBondContact O-N 3.36Å; Y1407-V1502 CarbonylContact C-O 3.52Å; Y1407-V1502 WeakPolarHBondContact CA-O 3.28Å; Y1407-V1502 HydrophobicContact CD1-CB 4.25Å; Y1407-V1502 HydrophobicContact CE1-CB 4.41Å; V1408-V1502 PolarHBondContact N-O 3.43Å; F1459-V1502 HydrophobicContact CE2-CG1 4.21Å; F1459-V1502 HydrophobicContact CE2-CG2 4.45Å; F1459-V1502 HydrophobicContact CZ-CG1 4.43Å; Y1483-V1502 CarbonylContact O-C 3.23Å; Y1483-V1502 WeakPolarHBondContact O-CA 3.48Å; V1489-V1502 HydrophobicContact CG2-CG2 4.12Å; A1500-V1502 HydrophobicContact CB-CG2 4.43Å; V1502-P1504 WeakPolarHBondContact O-CD 3.25Å |
| 1503 | V | 94.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | trans | -102.4 | 101.7 | 174 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | V1408 M1425 L1441 Y1483 N1484 | V1408-V1503 HydrophobicContact CB-CG2 4.08Å; M1425-V1503 HydrophobicContact CB-CG1 4.48Å; M1425-V1503 HydrophobicContact CE-CG1 3.78Å; M1425-V1503 HydrophobicContact CG-CG1 3.68Å; M1425-V1503 HydrophobicContact SD-CG1 3.9Å; L1441-V1503 HydrophobicContact CD2-CG2 4.2Å; Y1483-V1503 HydrophobicContact CD2-CG2 4.41Å; Y1483-V1503 PolarHBondContact O-N 3.3Å; N1484-V1503 WeakPolarHBondContact CA-O 3.31Å | ||
| 1504 | P | 92.8 | Very high | 85.7 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.013 | 17% | 0.168 | C | C | . | . | trans | -71.4 | 143.9 | -169 | -23.1 | 38 | 0 | 0 | 0 | 113.8 | Y1407 V1408 F1409 I1422 V1502 | Y1407-P1504 HydrophobicContact CD1-CG 4.11Å; V1408-P1504 WeakPolarHBondContact O-CD 3.5Å; F1409-P1504 HydrophobicContact CE1-CB 4.07Å; F1409-P1504 HydrophobicContact CE1-CG 3.78Å; F1409-P1504 HydrophobicContact CE2-CG 4.41Å; F1409-P1504 HydrophobicContact CZ-CB 4.41Å; F1409-P1504 HydrophobicContact CZ-CG 3.7Å; I1422-P1504 HydrophobicContact CD1-CB 3.89Å; V1502-P1504 WeakPolarHBondContact O-CD 3.25Å | ||
| 1505 | T | 90.4 | Very high | 83.9 | Confident | 17 Ų | 17 | 36.1 Ų | 36.1 | 10% | 0.104 | 19% | 0.187 | C | C | . | . | trans | -129.7 | 176.8 | -179 | 62.4 | 0 | 0 | 0 | 0 | 110 | M1425 N1484 W1507 N1508 | M1425-T1505 HydrophobicContact CB-CG2 4.38Å; N1484-T1505 HydrophobicContact CB-CG2 3.84Å; T1505-W1507 PolarHBondContact O-N 2.69Å; T1505-W1507 VanDerWaalsContact O-N 3.15Å; T1505-W1507 PolarHBondContact OG1-N 2.93Å; T1505-N1508 PolarHBondContact N-OD1 3.14Å; T1505-N1508 PolarHBondContact O-N 3.15Å; T1505-N1508 VanDerWaalsContact O-N 3.12Å; T1505-N1508 PolarHBondContact O-OD1 2.76Å; T1505-N1508 PolarHBondContact OG1-OD1 2.86Å | ||
| 1506 | T | 87.8 | Confident | 81.5 | Confident | 88 Ų | 88 | 39.9 Ų | 39.9 | 54% | 0.54 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.5 | -19.4 | 174.7 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | I1422 | I1422-T1506 HydrophobicContact CG2-CG2 3.85Å |
| 1507 | W | 88.1 | Confident | 78.8 | Confident | 78 Ų | 78 | 44.9 Ų | 44.9 | 30% | 0.295 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.6 | -41.8 | 172.7 | 176.5 | 84.6 | 0 | 0 | 0 | 112.2 | F1459 S1486 T1505 L1509 R1510 Y1511 | F1459-W1507 HydrophobicContact CE2-CZ3 4.27Å; F1459-W1507 HydrophobicContact CZ-CZ3 4.27Å; S1486-W1507 VanDerWaalsContact CB-CZ2 3.47Å; T1505-W1507 PolarHBondContact O-N 2.69Å; T1505-W1507 VanDerWaalsContact O-N 3.15Å; T1505-W1507 PolarHBondContact OG1-N 2.93Å; W1507-L1509 PolarHBondContact O-N 2.75Å; W1507-R1510 PolarHBondContact O-N 3.1Å; W1507-Y1511 HydrophobicContact CH2-CD2 4.14Å; W1507-Y1511 HydrophobicContact CH2-CG 4.21Å; W1507-Y1511 HydrophobicContact CZ2-CD2 4.07Å; W1507-Y1511 HydrophobicContact CZ2-CG 4.38Å; W1507-Y1511 PolarHBondContact O-N 2.89Å |
| 1508 | N | 89.9 | Confident | 75.9 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.4 | -26.4 | -174 | -58.5 | 87.3 | 0 | 0 | 0 | 112.7 | F1459 N1484 T1505 N1512 | F1459-N1508 VanDerWaalsContact CZ-ND2 3.29Å; F1459-N1508 WeakPolarHBondContact CZ-ND2 3.33Å; N1484-N1508 PolarHBondContact O-ND2 2.96Å; T1505-N1508 PolarHBondContact N-OD1 3.14Å; T1505-N1508 PolarHBondContact O-N 3.15Å; T1505-N1508 VanDerWaalsContact O-N 3.12Å; T1505-N1508 PolarHBondContact O-OD1 2.76Å; T1505-N1508 PolarHBondContact OG1-OD1 2.86Å; N1508-N1512 VanDerWaalsContact O-CG 3.31Å; N1508-N1512 PolarHBondContact O-ND2 3.08Å; N1508-N1512 VanDerWaalsContact O-ND2 3.1Å |
| 1509 | L | 85.7 | Confident | 72.9 | Confident | 72 Ų | 72 | 53.7 Ų | 53.7 | 38% | 0.377 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -75.5 | -38.4 | 173.1 | -169.4 | 68.3 | 0 | 0 | 0 | 112.5 | W1507 N1512 S1513 A1610 Y1611 | W1507-L1509 PolarHBondContact O-N 2.75Å; L1509-N1512 WeakPolarHBondContact O-CB 3.17Å; L1509-N1512 PolarHBondContact O-N 3.13Å; L1509-N1512 VanDerWaalsContact O-N 3.15Å; L1509-S1513 PolarHBondContact O-N 3.05Å; L1509-A1610 HydrophobicContact CD1-CB 3.87Å; L1509-Y1611 HydrophobicContact CB-CD1 3.85Å; L1509-Y1611 HydrophobicContact CB-CE1 3.69Å; L1509-Y1611 HydrophobicContact CD1-CE1 4.49Å; L1509-Y1611 HydrophobicContact CD1-CE2 4.4Å; L1509-Y1611 HydrophobicContact CD2-CE1 4.09Å; L1509-Y1611 HydrophobicContact CG-CE1 4.31Å |
| 1510 | R | 78.7 | Confident | 69.6 | Low | 168 Ų | 168 | 59.1 Ų | 59.1 | 63% | 0.634 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -69.1 | -40.5 | 179.3 | -63.1 | -177.7 | -174.4 | -176.6 | 2.3 | 111.9 | W1507 N1512 S1513 D1514 | W1507-R1510 PolarHBondContact O-N 3.1Å; R1510-N1512 PolarHBondContact O-N 3.38Å; R1510-N1512 VanDerWaalsContact O-N 3.07Å; R1510-S1513 PolarHBondContact O-N 3.09Å; R1510-S1513 PolarHBondContact O-OG 3.47Å; R1510-D1514 PolarHBondContact O-N 3.07Å |
| 1511 | Y | 73.3 | Confident | 66.4 | Low | 36 Ų | 36 | 66.6 Ų | 66.6 | 14% | 0.141 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -53.7 | -31.8 | 170.9 | 179.4 | -92.3 | 0 | 0 | 0 | 112.1 | F1459 H1461 W1507 T1515 | F1459-Y1511 HydrophobicContact CD1-CD1 4.33Å; F1459-Y1511 HydrophobicContact CD1-CE1 4.15Å; F1459-Y1511 HydrophobicContact CE1-CD1 4.49Å; H1461-Y1511 AromaticContact CE1-CE2 3.48Å; H1461-Y1511 VanDerWaalsContact CE1-CE2 3.48Å; H1461-Y1511 WeakPolarHBondContact CE1-CE2 3.32Å; H1461-Y1511 AromaticContact CE1-CZ 3.82Å; H1461-Y1511 AromaticContact CG-CE2 3.97Å; H1461-Y1511 AromaticContact CG-CZ 3.99Å; H1461-Y1511 AromaticContact ND1-CE2 3.46Å; H1461-Y1511 WeakPolarHBondContact ND1-CE2 3.47Å; H1461-Y1511 AromaticContact ND1-CZ 3.35Å; H1461-Y1511 PolarHBondContact ND1-OH 3.24Å; W1507-Y1511 HydrophobicContact CH2-CD2 4.14Å; W1507-Y1511 HydrophobicContact CH2-CG 4.21Å; W1507-Y1511 HydrophobicContact CZ2-CD2 4.07Å; W1507-Y1511 HydrophobicContact CZ2-CG 4.38Å; W1507-Y1511 PolarHBondContact O-N 2.89Å; Y1511-T1515 HydrophobicContact CD1-CG2 4.47Å; Y1511-T1515 HydrophobicContact CD2-CG2 4.44Å; Y1511-T1515 HydrophobicContact CE1-CG2 3.97Å; Y1511-T1515 HydrophobicContact CE2-CG2 3.94Å; Y1511-T1515 WeakPolarHBondContact O-CB 3.04Å; Y1511-T1515 VanDerWaalsContact O-CG2 3.31Å; Y1511-T1515 WeakPolarHBondContact O-CG2 3.21Å; Y1511-T1515 PolarHBondContact O-N 3.29Å; Y1511-T1515 PolarHBondContact O-OG1 2.94Å |
| 1512 | N | 66.5 | Low | 63 | Low | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.07 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -84.3 | -8.3 | 179.2 | -66.3 | -22.2 | 0 | 0 | 0 | 115.2 | N1508 L1509 R1510 A1610 R1613 | N1508-N1512 VanDerWaalsContact O-CG 3.31Å; N1508-N1512 PolarHBondContact O-ND2 3.08Å; N1508-N1512 VanDerWaalsContact O-ND2 3.1Å; L1509-N1512 WeakPolarHBondContact O-CB 3.17Å; L1509-N1512 PolarHBondContact O-N 3.13Å; L1509-N1512 VanDerWaalsContact O-N 3.15Å; R1510-N1512 PolarHBondContact O-N 3.38Å; R1510-N1512 VanDerWaalsContact O-N 3.07Å; N1512-A1610 PolarHBondContact ND2-O 2.87Å; N1512-R1613 PolarHBondContact O-NH1 3.22Å |
| 1513 | S | 59.4 | Low | 59.7 | Low | 56 Ų | 56 | 77.6 Ų | 77.6 | 39% | 0.392 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -91.8 | -43.8 | 165.4 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | L1509 R1510 T1515 C1516 | L1509-S1513 PolarHBondContact O-N 3.05Å; R1510-S1513 PolarHBondContact O-N 3.09Å; R1510-S1513 PolarHBondContact O-OG 3.47Å; S1513-T1515 PolarHBondContact O-N 3.37Å; S1513-C1516 PolarHBondContact O-N 2.87Å; S1513-C1516 PolarHBondContact O-SG 3.43Å |
| 1514 | D | 52.7 | Low | 56.4 | Low | 93 Ų | 93 | 84.5 Ų | 84.5 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73.3 | -24.1 | -168 | -54.8 | -4.7 | 0 | 0 | 0 | 111.2 | R1510 S1518 | R1510-D1514 PolarHBondContact O-N 3.07Å; D1514-S1518 VanDerWaalsContact O-CB 3.29Å; D1514-S1518 WeakPolarHBondContact O-CB 3.31Å; D1514-S1518 PolarHBondContact O-N 2.99Å; D1514-S1518 PolarHBondContact O-OG 2.92Å |
| 1515 | T | 51.5 | Low | 53.2 | Low | 78 Ų | 78 | 91.2 Ų | 91.2 | 48% | 0.479 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -77.4 | -13.6 | 175.8 | 45.7 | 0 | 0 | 0 | 0 | 115.2 | Y1511 S1513 | Y1511-T1515 HydrophobicContact CD1-CG2 4.47Å; Y1511-T1515 HydrophobicContact CD2-CG2 4.44Å; Y1511-T1515 HydrophobicContact CE1-CG2 3.97Å; Y1511-T1515 HydrophobicContact CE2-CG2 3.94Å; Y1511-T1515 WeakPolarHBondContact O-CB 3.04Å; Y1511-T1515 VanDerWaalsContact O-CG2 3.31Å; Y1511-T1515 WeakPolarHBondContact O-CG2 3.21Å; Y1511-T1515 PolarHBondContact O-N 3.29Å; Y1511-T1515 PolarHBondContact O-OG1 2.94Å; S1513-T1515 PolarHBondContact O-N 3.37Å |
| 1516 | C | 41.7 | Very low | 50.1 | Low | 93 Ų | 93 | 99.8 Ų | 99.8 | 63% | 0.628 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -95.8 | -21.3 | 172.1 | 45.3 | 0 | 0 | 0 | 0 | 114.6 | S1513 | S1513-C1516 PolarHBondContact O-N 2.87Å; S1513-C1516 PolarHBondContact O-SG 3.43Å |
| 1517 | D | 32.7 | Very low | 47.2 | Very low | 143 Ų | 143 | 102 Ų | 102 | 77% | 0.765 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -108.1 | -5.2 | -179.3 | -79.6 | -40.2 | 0 | 0 | 0 | 115.2 | G1519 | D1517-G1519 PolarHBondContact O-N 3.36Å |
| 1518 | S | 30.7 | Very low | 44.3 | Very low | 110 Ų | 110 | 101.1 Ų | 101.1 | 77% | 0.769 | 60% | 0.603 | S | S | * | * | trans | -73.9 | 61.9 | 175.8 | -67.9 | 0 | 0 | 0 | 0 | 113.3 | D1514 | D1514-S1518 VanDerWaalsContact O-CB 3.29Å; D1514-S1518 WeakPolarHBondContact O-CB 3.31Å; D1514-S1518 PolarHBondContact O-N 2.99Å; D1514-S1518 PolarHBondContact O-OG 2.92Å | ||
| 1519 | G | 32.1 | Very low | 41.2 | Very low | 78 Ų | 78 | 106.2 Ų | 106.2 | 80% | 0.804 | 64% | 0.639 | S | S | * | * | trans | -130.9 | 19.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1517 | D1517-G1519 PolarHBondContact O-N 3.36Š| ||
| 1520 | S | 25.5 | Very low | 38.4 | Very low | 115 Ų | 115 | 107.7 Ų | 107.7 | 80% | 0.804 | 66% | 0.655 | S | S | * | * | trans | -136.3 | 72.8 | -174.8 | -161 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1521 | I | 28.7 | Very low | 36.1 | Very low | 156 Ų | 156 | 104.5 Ų | 104.5 | 80% | 0.8 | 65% | 0.65 | S | S | * | * | trans | -131.8 | 130.1 | 160.2 | 35.5 | 172.1 | 0 | 0 | 0 | 109.1 | S1523 | I1521-S1523 PolarHBondContact O-N 2.86Å; I1521-S1523 VanDerWaalsContact O-N 3.16Å | ||
| 1522 | S | 25.6 | Very low | 34.1 | Very low | 135 Ų | 135 | 107.9 Ų | 107.9 | 94% | 0.944 | 68% | 0.675 | S | S | * | * | trans | -85.2 | 87.1 | -171.4 | 58.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1523 | S | 26.2 | Very low | 32.2 | Very low | 96 Ų | 96 | 116.1 Ų | 116.1 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | trans | -136.7 | 127.7 | 168.5 | 52.5 | 0 | 0 | 0 | 0 | 110.6 | I1521 D1525 | I1521-S1523 PolarHBondContact O-N 2.86Å; I1521-S1523 VanDerWaalsContact O-N 3.16Å; S1523-D1525 PolarHBondContact O-N 2.9Å | ||
| 1524 | T | 25.3 | Very low | 30.6 | Very low | 147 Ų | 147 | 118.6 Ų | 118.6 | 90% | 0.902 | 72% | 0.718 | S | S | * | * | trans | -78.2 | 83.4 | -170.3 | -50.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1525 | D | 24.9 | Very low | 29.4 | Very low | 142 Ų | 142 | 124.1 Ų | 124.1 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | -143.1 | 115.8 | 163.7 | -101.3 | -47.1 | 0 | 0 | 0 | 111.8 | S1523 I1527 | S1523-D1525 PolarHBondContact O-N 2.9Å; D1525-I1527 VanDerWaalsContact C-N 3.34Å; D1525-I1527 PolarHBondContact O-N 2.9Å | ||
| 1526 | Q | 24.5 | Very low | 28.2 | Very low | 197 Ų | 197 | 123.9 Ų | 123.9 | 92% | 0.921 | 75% | 0.745 | S | S | * | * | trans | -84.6 | 71.6 | -178.8 | -69 | -170.6 | 2.8 | 0 | 0 | 111.6 | G1528 | Q1526-G1528 VanDerWaalsContact C-N 3.29Å; Q1526-G1528 PolarHBondContact O-N 2.85Å | ||
| 1527 | I | 27.7 | Very low | 27.4 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 70% | 0.697 | 76% | 0.757 | S | S | * | * | trans | -73.4 | 85.7 | 172 | -56.1 | -177.7 | 0 | 0 | 0 | 109.4 | D1525 S1529 | D1525-I1527 VanDerWaalsContact C-N 3.34Å; D1525-I1527 PolarHBondContact O-N 2.9Å; I1527-S1529 PolarHBondContact O-N 2.8Å; I1527-S1529 VanDerWaalsContact O-N 3.11Å | ||
| 1528 | G | 26.4 | Very low | 27.3 | Very low | 59 Ų | 59 | 126.4 Ų | 126.4 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | trans | -64.8 | 107.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1526 S1530 | Q1526-G1528 VanDerWaalsContact C-N 3.29Å; Q1526-G1528 PolarHBondContact O-N 2.85Å; G1528-S1530 PolarHBondContact O-N 2.96Å | ||
| 1529 | S | 26.2 | Very low | 27.1 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -71 | 71.7 | 170.1 | 48.5 | 0 | 0 | 0 | 0 | 111.1 | I1527 N1531 | I1527-S1529 PolarHBondContact O-N 2.8Å; I1527-S1529 VanDerWaalsContact O-N 3.11Å; S1529-N1531 PolarHBondContact O-N 3.2Å | ||
| 1530 | S | 26.9 | Very low | 27 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -67 | 98.4 | -175.2 | -171.5 | 0 | 0 | 0 | 0 | 112.4 | G1528 V1532 | G1528-S1530 PolarHBondContact O-N 2.96Å; S1530-V1532 PolarHBondContact O-N 3.04Å | ||
| 1531 | N | 29.1 | Very low | 27 | Very low | 101 Ų | 101 | 131 Ų | 131 | 54% | 0.54 | 77% | 0.774 | S | S | . | * | trans | -67.1 | 111.3 | 165.6 | -80.8 | -41.1 | 0 | 0 | 0 | 109.6 | S1529 W1533 | S1529-N1531 PolarHBondContact O-N 3.2Å; N1531-W1533 PolarHBondContact O-N 2.95Å | ||
| 1532 | V | 31.4 | Very low | 27.1 | Very low | 108 Ų | 108 | 128.6 Ų | 128.6 | 66% | 0.655 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 27.2 | -175.2 | -168.5 | 0 | 0 | 0 | 0 | 113.1 | S1530 | S1530-V1532 PolarHBondContact O-N 3.04Š|
| 1533 | W | 28.1 | Very low | 27.1 | Very low | 186 Ų | 186 | 125.7 Ų | 125.7 | 71% | 0.705 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.9 | 4.1 | -169.4 | -67.7 | 84.4 | 0 | 0 | 0 | 114.7 | N1531 | N1531-W1533 PolarHBondContact O-N 2.95Š|
| 1534 | T | 25.8 | Very low | 27.3 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | trans | -139.1 | 122.6 | 175 | 44.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1535 | R | 25.8 | Very low | 27.4 | Very low | 208 Ų | 208 | 127.2 Ų | 127.2 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -130 | 95.1 | 167 | -171.2 | 177.8 | -170.4 | 165.2 | 8.2 | 109.6 | ||||
| 1536 | G | 26.5 | Very low | 27.6 | Very low | 74 Ų | 74 | 130.3 Ų | 130.3 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | trans | -80.7 | 166.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1537 | E | 25.7 | Very low | 27.9 | Very low | 188 Ų | 188 | 126.5 Ų | 126.5 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -109.4 | 136.9 | 176 | -63.7 | -179.1 | 130.6 | 0 | 0 | 110.3 | ||||
| 1538 | A | 29.5 | Very low | 27.9 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -158.6 | 142.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1539 | D | 27.2 | Very low | 28.1 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -90.1 | 144.3 | -170 | -69 | -67.4 | 0 | 0 | 0 | 114.7 | ||||
| 1540 | S | 29.8 | Very low | 28.3 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -166.2 | 154.6 | 133.1 | -84.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1541 | A | 26.8 | Very low | 28.3 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 88% | 0.876 | 79% | 0.787 | S | S | * | * | trans | -109.1 | 125.6 | -157.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1542 | A | 29.1 | Very low | 28.4 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | -154.5 | 139.8 | 144 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1543 | G | 26.2 | Very low | 28.2 | Very low | 74 Ų | 74 | 139.2 Ų | 139.2 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | -104.8 | 139.1 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1544 | L | 30.9 | Very low | 28.2 | Very low | 184 Ų | 184 | 137.9 Ų | 137.9 | 96% | 0.963 | 81% | 0.806 | S | S | * | * | trans | -152.4 | 156.3 | 134.5 | -134.1 | 71.6 | 0 | 0 | 0 | 109.7 | ||||
| 1545 | A | 27 | Very low | 28.2 | Very low | 91 Ų | 91 | 140.5 Ų | 140.5 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -110.2 | 125.7 | -162.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1546 | K | 29.9 | Very low | 28.4 | Very low | 208 Ų | 208 | 136 Ų | 136 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | 179.9 | 147.7 | 128.6 | -98.8 | 159.2 | -176.2 | 178.7 | 0 | 113.4 | |||||
| 1547 | S | 30.6 | Very low | 28.4 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | 58 | 118.9 | 160.7 | -152.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1548 | K | 27 | Very low | 28.6 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | trans | -110.5 | 117.1 | 155.1 | -74.2 | -178.3 | 178 | 179.1 | 0 | 107.8 | ||||
| 1549 | S | 30.7 | Very low | 28.7 | Very low | 88 Ų | 88 | 138.8 Ų | 138.8 | 62% | 0.615 | 80% | 0.795 | S | S | * | * | trans | -73.1 | 153 | 169.4 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1550 | R | 30.9 | Very low | 28.8 | Very low | 241 Ų | 241 | 141.3 Ų | 141.3 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | -123 | 148.3 | 179 | -98.6 | -177.4 | 170.8 | 163.3 | -1.4 | 111.5 | ||||
| 1551 | N | 26.8 | Very low | 28.8 | Very low | 140 Ų | 140 | 146 Ų | 146 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | -38.3 | 139.7 | 178.3 | -46.5 | -8.7 | 0 | 0 | 0 | 116.3 | S1553 | N1551-S1553 PolarHBondContact O-N 2.86Š| ||
| 1552 | L | 30.5 | Very low | 28.9 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | 40.7 | 76.6 | 128.8 | -61.8 | 165.2 | 0 | 0 | 0 | 117.3 | |||||
| 1553 | S | 27.6 | Very low | 29.1 | Very low | 89 Ų | 89 | 148.1 Ų | 148.1 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | trans | -151.7 | 142.8 | 139 | -165.1 | 0 | 0 | 0 | 0 | 109.3 | N1551 E1555 | N1551-S1553 PolarHBondContact O-N 2.86Å; S1553-E1555 VanDerWaalsContact C-N 3.32Å; S1553-E1555 PolarHBondContact O-N 2.85Å | ||
| 1554 | L | 27.8 | Very low | 29.3 | Very low | 159 Ų | 159 | 153.9 Ų | 153.9 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -95 | 64.9 | 172.3 | -105.7 | 168.3 | 0 | 0 | 0 | 109.4 | ||||
| 1555 | E | 26.8 | Very low | 29 | Very low | 162 Ų | 162 | 153.7 Ų | 153.7 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | trans | -129.8 | 99.8 | 171.9 | -71 | -179.7 | 145.7 | 0 | 0 | 108.2 | S1553 D1557 | S1553-E1555 VanDerWaalsContact C-N 3.32Å; S1553-E1555 PolarHBondContact O-N 2.85Å; E1555-D1557 PolarHBondContact O-N 2.94Å | ||
| 1556 | L | 28.5 | Very low | 29.1 | Very low | 113 Ų | 113 | 155 Ų | 155 | 59% | 0.592 | 78% | 0.776 | S | S | * | * | trans | -88.3 | 96.3 | 166.9 | -100.4 | 74.7 | 0 | 0 | 0 | 108.5 | N1372 | N1372-L1556 HydrophobicContact CB-CD2 4.17Š| ||
| 1557 | D | 28 | Very low | 29.1 | Very low | 147 Ų | 147 | 150.9 Ų | 150.9 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | -145 | 85.7 | 170 | -168.8 | 8.1 | 0 | 0 | 0 | 111.3 | E1555 | E1555-D1557 PolarHBondContact O-N 2.94Š| ||
| 1558 | T | 29.7 | Very low | 29 | Very low | 131 Ų | 131 | 150.2 Ų | 150.2 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -144 | 98.8 | 167.6 | 57.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1559 | N | 31.7 | Very low | 29 | Very low | 144 Ų | 144 | 148.5 Ų | 148.5 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | -159.5 | 121.8 | 125.5 | -107.5 | -36 | 0 | 0 | 0 | 111.9 | |||||
| 1560 | R | 29.4 | Very low | 28.9 | Very low | 216 Ų | 216 | 151 Ų | 151 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | -131.4 | 115.7 | 167.9 | -85.3 | -164.4 | 179.2 | -141.6 | 4.7 | 111.3 | ||||
| 1561 | R | 28.7 | Very low | 28.9 | Very low | 228 Ų | 228 | 151.1 Ų | 151.1 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -142.1 | 122.7 | 147 | -60 | -174.5 | -167.5 | 174.4 | 4.9 | 104.2 | ||||
| 1562 | D | 29.5 | Very low | 29 | Very low | 140 Ų | 140 | 155.9 Ų | 155.9 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | S | Bend | cis | -135.5 | -159.6 | 10.3 | -76.7 | -62.9 | 0 | 0 | 0 | 111.9 | ||
| 1563 | V | 33.1 | Very low | 28.9 | Very low | 117 Ų | 117 | 158.3 Ų | 158.3 | 71% | 0.709 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 83.2 | 93.1 | 170 | -167 | 0 | 0 | 0 | 0 | 117.1 | ||
| 1564 | K | 29.7 | Very low | 29 | Very low | 194 Ų | 194 | 157 Ų | 157 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 52 | 118.5 | 141.7 | -63.6 | -176.8 | 176.5 | 179.4 | 0 | 119.8 | ||||
| 1565 | E | 24.7 | Very low | 29 | Very low | 181 Ų | 181 | 157.7 Ų | 157.7 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -66.1 | 153.4 | 171 | -55.9 | 169.7 | 108.4 | 0 | 0 | 114 | ||||
| 1566 | P | 29.5 | Very low | 29 | Very low | 118 Ų | 118 | 155.9 Ų | 155.9 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -117.4 | 136.3 | 138 | 34.7 | -27.4 | 0 | 0 | 0 | 111.4 | P1568 | P1566-P1568 WeakPolarHBondContact O-CD 3.41Š| ||
| 1567 | V | 29.8 | Very low | 29 | Very low | 122 Ų | 122 | 156.9 Ų | 156.9 | 74% | 0.739 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 125.7 | -172.5 | 175.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1568 | P | 27.9 | Very low | 28.8 | Very low | 101 Ų | 101 | 159.1 Ų | 159.1 | 66% | 0.656 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 154.1 | 164.2 | 34 | -32.8 | 0 | 0 | 0 | 111.8 | P1566 | P1566-P1568 WeakPolarHBondContact O-CD 3.41Š|
| 1569 | P | 28.8 | Very low | 28.7 | Very low | 128 Ų | 128 | 157.8 Ų | 157.8 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -74 | 134.9 | -164 | 28 | -35.6 | 0 | 0 | 0 | 114.9 | R1571 | P1569-R1571 PolarHBondContact O-N 2.68Å; P1569-R1571 VanDerWaalsContact O-N 3.1Å |
| 1570 | T | 28.5 | Very low | 28.8 | Very low | 139 Ų | 139 | 155.7 Ų | 155.7 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -75.4 | 91 | -179.9 | 39.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1571 | R | 29.2 | Very low | 29.1 | Very low | 244 Ų | 244 | 151.2 Ų | 151.2 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 132.1 | 165 | -152.9 | 171.2 | -173.9 | -173.9 | 0.1 | 110.3 | P1569 | P1569-R1571 PolarHBondContact O-N 2.68Å; P1569-R1571 VanDerWaalsContact O-N 3.1Å |
| 1572 | R | 29.9 | Very low | 29.6 | Very low | 241 Ų | 241 | 143.8 Ų | 143.8 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 134.3 | -166.7 | -61.9 | 174.5 | -178.9 | 165.9 | -1.3 | 112.7 | G1574 | R1572-G1574 PolarHBondContact O-N 3.33Š|
| 1573 | K | 28.6 | Very low | 30.8 | Very low | 210 Ų | 210 | 139.7 Ų | 139.7 | 91% | 0.913 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 117.9 | 161.7 | -74.8 | -178.2 | 177.2 | 177.2 | 0 | 109.1 | ||
| 1574 | G | 28.7 | Very low | 32.1 | Very low | 62 Ų | 62 | 138.7 Ų | 138.7 | 64% | 0.639 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 138.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | R1572 V1576 | R1572-G1574 PolarHBondContact O-N 3.33Å; G1574-V1576 PolarHBondContact O-N 3.5Å; G1574-V1576 VanDerWaalsContact O-N 3.14Å |
| 1575 | N | 27.7 | Very low | 33.9 | Very low | 174 Ų | 174 | 130.2 Ų | 130.2 | 93% | 0.93 | 70% | 0.702 | S | S | * | * | trans | -71.4 | 107 | 171.6 | -79.4 | -0.5 | 0 | 0 | 0 | 108.8 | ||||
| 1576 | V | 27.1 | Very low | 36.3 | Very low | 124 Ų | 124 | 124.7 Ų | 124.7 | 75% | 0.752 | 68% | 0.682 | S | S | * | * | trans | -116.7 | 115.8 | 164 | -179.9 | 0 | 0 | 0 | 0 | 106.6 | G1574 K1578 | G1574-V1576 PolarHBondContact O-N 3.5Å; G1574-V1576 VanDerWaalsContact O-N 3.14Å; V1576-K1578 PolarHBondContact O-N 3.21Å | ||
| 1577 | T | 28.1 | Very low | 38.9 | Very low | 134 Ų | 134 | 119.5 Ų | 119.5 | 82% | 0.822 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 118.2 | 166.3 | 34.8 | 0 | 0 | 0 | 0 | 107.9 | P1579 | T1577-P1579 VanDerWaalsContact O-CD 3.26Å; T1577-P1579 WeakPolarHBondContact O-CD 3.35Å; T1577-P1579 VanDerWaalsContact O-N 3.15Å |
| 1578 | K | 25.1 | Very low | 41.8 | Very low | 194 Ų | 194 | 114 Ų | 114 | 84% | 0.843 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 120 | 172 | -78.7 | -168.8 | 172.7 | -168.3 | 0 | 107.5 | V1576 T1580 | V1576-K1578 PolarHBondContact O-N 3.21Å; K1578-T1580 PolarHBondContact O-N 2.81Å |
| 1579 | P | 28 | Very low | 44.9 | Very low | 103 Ų | 103 | 109.2 Ų | 109.2 | 67% | 0.669 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -61 | 137.7 | 163.9 | 28.3 | -32.9 | 0 | 0 | 0 | 107.4 | T1577 L1581 | T1577-P1579 VanDerWaalsContact O-CD 3.26Å; T1577-P1579 WeakPolarHBondContact O-CD 3.35Å; T1577-P1579 VanDerWaalsContact O-N 3.15Å; P1579-L1581 PolarHBondContact O-N 2.69Å |
| 1580 | T | 33.2 | Very low | 48.1 | Very low | 100 Ų | 100 | 103.1 Ų | 103.1 | 61% | 0.613 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 125.4 | 170.3 | -40.9 | 0 | 0 | 0 | 0 | 107.5 | K1578 L1582 | K1578-T1580 PolarHBondContact O-N 2.81Å; T1580-L1582 PolarHBondContact O-N 3.31Å |
| 1581 | L | 34.5 | Very low | 51.4 | Low | 121 Ų | 121 | 96.5 Ų | 96.5 | 63% | 0.634 | 50% | 0.504 | S | S | * | . | trans | -73.4 | 83.8 | -175.7 | -71.5 | 174.3 | 0 | 0 | 0 | 109.5 | P1579 A1583 | P1579-L1581 PolarHBondContact O-N 2.69Å; L1581-A1583 PolarHBondContact O-N 3.11Å | ||
| 1582 | L | 40.7 | Very low | 54.6 | Low | 73 Ų | 73 | 84.9 Ų | 84.9 | 38% | 0.382 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 118.5 | 174.8 | -69.5 | 165.1 | 0 | 0 | 0 | 109 | T1580 Q1584 Q1621 | T1580-L1582 PolarHBondContact O-N 3.31Å; L1582-Q1584 PolarHBondContact O-N 2.7Å; L1582-Q1621 HydrophobicContact CD1-CB 4.21Å; L1582-Q1621 HydrophobicContact CD2-CB 4.09Å |
| 1583 | A | 53.7 | Low | 57.8 | Low | 54 Ų | 54 | 73.4 Ų | 73.4 | 45% | 0.446 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 120.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | L1581 A1585 | L1581-A1583 PolarHBondContact O-N 3.11Å; A1583-A1585 PolarHBondContact O-N 3.47Å |
| 1584 | Q | 61.5 | Low | 61 | Low | 95 Ų | 95 | 63.5 Ų | 63.5 | 44% | 0.444 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -55 | 134.4 | 173.4 | -74.9 | 179.1 | -35.5 | 0 | 0 | 109.7 | L1582 | L1582-Q1584 PolarHBondContact O-N 2.7Š|
| 1585 | A | 66.2 | Low | 64 | Low | 16 Ų | 16 | 63.5 Ų | 63.5 | 13% | 0.132 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 142.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1583 Q1622 P1624 R1685 | A1583-A1585 PolarHBondContact O-N 3.47Å; A1585-Q1622 WeakPolarHBondContact CB-O 3.45Å; A1585-P1624 HydrophobicContact CB-CB 4.27Å; A1585-R1685 PolarHBondContact O-NE 2.93Å; A1585-R1685 PolarHBondContact O-NH2 3.31Å; A1585-R1685 VanDerWaalsContact O-NH2 3.12Å |
| 1586 | P | 75.9 | Confident | 67.1 | Low | 66 Ų | 66 | 55.8 Ų | 55.8 | 43% | 0.429 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 158.9 | 173.5 | 27.3 | -35 | 0 | 0 | 0 | 110.7 | K1588 | P1586-K1588 PolarHBondContact O-N 3.45Š|
| 1587 | A | 84 | Confident | 70.2 | Confident | 8 Ų | 8 | 51 Ų | 51 | 7% | 0.066 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 121.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | I1589 I1681 R1685 | A1587-I1589 HydrophobicContact CB-CD1 4.45Å; A1587-I1589 HydrophobicContact CB-CG1 4.2Å; A1587-I1681 HydrophobicContact CB-CG2 4.23Å; A1587-R1685 HydrophobicContact CB-CB 4.15Å; A1587-R1685 HydrophobicContact CB-CG 4.14Å |
| 1588 | K | 89.9 | Confident | 73.1 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 121.4 | 164.5 | -65.7 | -64 | -175.6 | -179.7 | 0 | 107.8 | Y1407 P1586 F1590 L1609 T1612 E1617 P1624 H1630 | Y1407-K1588 HydrophobicContact CE2-CD 3.99Å; P1586-K1588 PolarHBondContact O-N 3.45Å; K1588-F1590 HydrophobicContact CB-CE2 4.05Å; K1588-L1609 HydrophobicContact CG-CD2 4.37Å; K1588-T1612 PolarHBondContact NZ-O 2.87Å; K1588-E1617 IonicContact NZ-OE1 3.57Å; K1588-E1617 PolarHBondContact NZ-OE1 2.98Å; K1588-P1624 HydrophobicContact CD-CG 4.26Å; K1588-P1624 HydrophobicContact CG-CB 3.97Å; K1588-P1624 HydrophobicContact CG-CG 3.54Å; K1588-H1630 PolarHBondContact O-N 3.13Å |
| 1589 | I | 94.4 | Very high | 76.2 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.8 | -176.9 | -53.5 | -178.6 | 0 | 0 | 0 | 107.9 | V1406 Y1407 A1587 H1630 I1632 A1678 I1681 | V1406-I1589 WeakPolarHBondContact CA-O 3.47Å; V1406-I1589 HydrophobicContact CG1-CG2 4.27Å; V1406-I1589 HydrophobicContact CG2-CB 4.22Å; V1406-I1589 HydrophobicContact CG2-CG2 4.21Å; Y1407-I1589 PolarHBondContact N-O 3.45Å; A1587-I1589 HydrophobicContact CB-CD1 4.45Å; A1587-I1589 HydrophobicContact CB-CG1 4.2Å; I1589-H1630 CarbonylContact C-O 3.5Å; I1589-H1630 WeakPolarHBondContact CA-O 3.3Å; I1589-I1632 HydrophobicContact CG2-CD1 4.29Å; I1589-A1678 HydrophobicContact CD1-CB 4.08Å; I1589-A1678 VanDerWaalsContact CD1-O 3.31Å; I1589-A1678 WeakPolarHBondContact CD1-O 3.48Å; I1589-A1678 HydrophobicContact CG2-CB 4.37Å; I1589-I1681 HydrophobicContact CD1-CB 4.02Å; I1589-I1681 HydrophobicContact CD1-CG2 3.76Å; I1589-I1681 HydrophobicContact CG1-CG2 4.16Å |
| 1590 | F | 96.2 | Very high | 79.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133.1 | 179.4 | -72.5 | -116.1 | 0 | 0 | 0 | 108.5 | Y1407 F1409 K1588 V1592 F1603 L1605 L1608 L1609 T1612 C1629 H1630 V1631 I1632 | Y1407-F1590 CarbonylContact O-C 3.54Å; Y1407-F1590 WeakPolarHBondContact O-CA 3.31Å; F1409-F1590 AromaticContact CD2-CD1 3.83Å; F1409-F1590 HydrophobicContact CD2-CD1 3.83Å; F1409-F1590 HydrophobicContact CD2-CE1 4.48Å; F1409-F1590 AromaticContact CE2-CD1 3.22Å; F1409-F1590 HydrophobicContact CE2-CD1 3.22Å; F1409-F1590 AromaticContact CE2-CE1 3.53Å; F1409-F1590 HydrophobicContact CE2-CE1 3.53Å; F1409-F1590 HydrophobicContact CE2-CG 4.17Å; F1409-F1590 AromaticContact CZ-CD1 3.98Å; F1409-F1590 HydrophobicContact CZ-CD1 3.98Å; F1409-F1590 AromaticContact CZ-CE1 3.81Å; F1409-F1590 HydrophobicContact CZ-CE1 3.81Å; K1588-F1590 HydrophobicContact CB-CE2 4.05Å; F1590-V1592 HydrophobicContact CB-CG2 4.27Å; F1590-F1603 HydrophobicContact CD1-CE1 4.26Å; F1590-F1603 HydrophobicContact CD1-CZ 4.34Å; F1590-L1605 HydrophobicContact CD1-CD1 3.95Å; F1590-L1605 HydrophobicContact CD2-CD1 4.02Å; F1590-L1605 HydrophobicContact CE1-CD1 3.76Å; F1590-L1605 HydrophobicContact CE2-CD1 3.81Å; F1590-L1605 HydrophobicContact CG-CD1 4.11Å; F1590-L1605 HydrophobicContact CZ-CD1 3.7Å; F1590-L1608 HydrophobicContact CE1-CB 4.2Å; F1590-L1609 HydrophobicContact CE2-CD2 4.12Å; F1590-L1609 HydrophobicContact CZ-CD2 3.93Å; F1590-L1609 HydrophobicContact CZ-CG 4.03Å; F1590-T1612 HydrophobicContact CE1-CG2 4.1Å; F1590-T1612 HydrophobicContact CZ-CG2 3.88Å; F1590-C1629 HydrophobicContact CD2-CB 4.33Å; F1590-C1629 HydrophobicContact CE2-CB 4.17Å; F1590-H1630 PolarHBondContact N-O 2.92Å; F1590-V1631 HydrophobicContact CB-CB 4.3Å; F1590-V1631 HydrophobicContact CB-CG1 3.9Å; F1590-V1631 HydrophobicContact CB-CG2 4.16Å; F1590-V1631 WeakPolarHBondContact O-CA 3.37Å; F1590-I1632 PolarHBondContact O-N 2.69Å |
| 1591 | L | 97.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 118.1 | 170.4 | 177.7 | 65.7 | 0 | 0 | 0 | 107.5 | V1406 Y1407 V1408 F1409 M1440 L1444 I1632 V1634 V1674 | V1406-L1591 HydrophobicContact CG1-CB 3.93Å; Y1407-L1591 PolarHBondContact O-N 3.38Å; V1408-L1591 CarbonylContact C-O 3.55Å; V1408-L1591 VanDerWaalsContact CA-O 3.26Å; V1408-L1591 WeakPolarHBondContact CA-O 3.46Å; V1408-L1591 HydrophobicContact CG1-CB 4.3Å; V1408-L1591 HydrophobicContact CG1-CD2 4.01Å; V1408-L1591 HydrophobicContact CG1-CG 4.19Å; V1408-L1591 HydrophobicContact CG2-CB 4.22Å; V1408-L1591 HydrophobicContact CG2-CD2 4.04Å; F1409-L1591 PolarHBondContact N-O 3.32Å; M1440-L1591 HydrophobicContact CE-CD2 4.09Å; M1440-L1591 HydrophobicContact SD-CD2 3.95Å; L1444-L1591 HydrophobicContact CD1-CD2 3.71Å; L1444-L1591 HydrophobicContact CD2-CD2 3.89Å; L1444-L1591 HydrophobicContact CG-CD2 4.45Å; L1591-I1632 WeakPolarHBondContact CA-O 3.34Å; L1591-I1632 HydrophobicContact CD1-CB 4.05Å; L1591-I1632 HydrophobicContact CD1-CG2 3.91Å; L1591-V1634 HydrophobicContact CD1-CG2 3.87Å; L1591-V1674 HydrophobicContact CD1-CG1 3.85Å; L1591-V1674 HydrophobicContact CD1-CG2 4.24Å; L1591-V1674 HydrophobicContact CD2-CG1 3.95Å; L1591-V1674 HydrophobicContact CG-CG1 4.48Å |
| 1592 | V | 97.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 112.8 | -168 | -174.3 | 0 | 0 | 0 | 0 | 109.5 | F1409 V1411 F1590 L1594 F1603 V1631 I1632 F1633 V1634 | F1409-V1592 HydrophobicContact CD2-CG2 4.49Å; V1411-V1592 HydrophobicContact CG2-CG1 3.58Å; F1590-V1592 HydrophobicContact CB-CG2 4.27Å; V1592-L1594 HydrophobicContact CG1-CD2 3.74Å; V1592-L1594 HydrophobicContact CG1-CG 4.42Å; V1592-F1603 HydrophobicContact CB-CE2 4.43Å; V1592-F1603 HydrophobicContact CB-CZ 4.5Å; V1592-F1603 HydrophobicContact CG1-CD2 4.05Å; V1592-F1603 HydrophobicContact CG1-CE2 3.61Å; V1592-F1603 HydrophobicContact CG1-CZ 4.14Å; V1592-F1603 HydrophobicContact CG2-CE1 4Å; V1592-F1603 HydrophobicContact CG2-CE2 3.87Å; V1592-F1603 HydrophobicContact CG2-CZ 3.49Å; V1592-F1603 VanDerWaalsContact CG2-CZ 3.49Å; V1592-V1631 HydrophobicContact CB-CG1 4.44Å; V1592-V1631 HydrophobicContact CG2-CG1 3.58Å; V1592-I1632 PolarHBondContact N-O 2.94Å; V1592-F1633 HydrophobicContact CB-CD1 3.61Å; V1592-F1633 HydrophobicContact CB-CE1 4.02Å; V1592-F1633 HydrophobicContact CB-CG 4.44Å; V1592-F1633 HydrophobicContact CG1-CD1 3.76Å; V1592-F1633 HydrophobicContact CG1-CE1 3.97Å; V1592-F1633 HydrophobicContact CG2-CD1 4.22Å; V1592-F1633 HydrophobicContact CG2-CE1 4.19Å; V1592-F1633 CarbonylContact O-C 3.47Å; V1592-F1633 WeakPolarHBondContact O-CA 3.2Å; V1592-V1634 PolarHBondContact O-N 2.83Å |
| 1593 | W | 96 | Very high | 86.9 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 128.5 | 170.5 | -166.9 | -86.4 | 0 | 0 | 0 | 109.8 | F1409 Y1410 V1411 D1434 H1436 F1437 M1440 V1634 L1642 | F1409-W1593 PolarHBondContact O-N 3.27Å; Y1410-W1593 HydrophobicContact CD2-CB 4.02Å; Y1410-W1593 AromaticContact CD2-CD1 3.71Å; Y1410-W1593 HydrophobicContact CD2-CG 4.04Å; Y1410-W1593 AromaticContact CE2-CD1 3.35Å; Y1410-W1593 HydrophobicContact CE2-CG 4.08Å; Y1410-W1593 AromaticContact CE2-NE1 3.89Å; V1411-W1593 PolarHBondContact N-O 2.94Å; D1434-W1593 HydrophobicContact CB-CZ2 4.22Å; D1434-W1593 WeakPolarHBondContact OD2-CZ2 3.34Å; D1434-W1593 PolarHBondContact OD2-NE1 3.02Å; H1436-W1593 HydrophobicContact CB-CH2 3.9Å; H1436-W1593 HydrophobicContact CB-CZ2 4.02Å; F1437-W1593 HydrophobicContact CB-CD2 4.03Å; F1437-W1593 HydrophobicContact CB-CE3 4.48Å; F1437-W1593 HydrophobicContact CB-CG 4.26Å; F1437-W1593 HydrophobicContact CB-CZ2 4.37Å; F1437-W1593 HydrophobicContact CD2-CB 3.62Å; F1437-W1593 AromaticContact CD2-CD2 3.86Å; F1437-W1593 HydrophobicContact CD2-CD2 3.86Å; F1437-W1593 HydrophobicContact CD2-CE3 4.04Å; F1437-W1593 AromaticContact CD2-CG 3.71Å; F1437-W1593 HydrophobicContact CD2-CG 3.71Å; F1437-W1593 HydrophobicContact CE2-CB 3.9Å; F1437-W1593 HydrophobicContact CE2-CG 4.47Å; F1437-W1593 HydrophobicContact CG-CD2 4.4Å; F1437-W1593 HydrophobicContact CG-CG 4.3Å; M1440-W1593 HydrophobicContact CB-CZ3 3.92Å; M1440-W1593 HydrophobicContact CE-CE3 3.86Å; M1440-W1593 HydrophobicContact CE-CZ3 4.28Å; M1440-W1593 HydrophobicContact CG-CZ3 4.04Å; W1593-V1634 WeakPolarHBondContact CA-O 3.24Å; W1593-V1634 HydrophobicContact CE3-CB 4.19Å; W1593-V1634 HydrophobicContact CE3-CG1 3.9Å; W1593-V1634 HydrophobicContact CZ3-CG1 3.79Å; W1593-L1642 HydrophobicContact CH2-CD2 3.72Å; W1593-L1642 HydrophobicContact CZ3-CD2 4.26Å |
| 1594 | L | 95.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.3 | -177.9 | -62.6 | -176.9 | 0 | 0 | 0 | 111.1 | V1411 V1592 D1599 F1633 V1634 H1635 | V1411-L1594 HydrophobicContact CB-CD2 3.9Å; V1411-L1594 HydrophobicContact CG1-CD2 4.31Å; V1411-L1594 HydrophobicContact CG2-CD2 4.11Å; V1592-L1594 HydrophobicContact CG1-CD2 3.74Å; V1592-L1594 HydrophobicContact CG1-CG 4.42Å; L1594-D1599 HydrophobicContact CD2-CB 4.25Å; L1594-F1633 HydrophobicContact CD1-CB 3.92Å; L1594-F1633 HydrophobicContact CD1-CD1 3.73Å; L1594-F1633 HydrophobicContact CD1-CG 4.13Å; L1594-F1633 HydrophobicContact CD2-CD1 4Å; L1594-F1633 HydrophobicContact CD2-CE1 4.49Å; L1594-F1633 HydrophobicContact CG-CB 4.41Å; L1594-F1633 HydrophobicContact CG-CD1 3.99Å; L1594-V1634 PolarHBondContact N-O 2.85Å; L1594-H1635 HydrophobicContact CB-CB 4.44Å; L1594-H1635 PolarHBondContact O-ND1 3.45Å |
| 1595 | E | 92.6 | Very high | 90.2 | Very high | 62 Ų | 62 | 20.9 Ų | 20.9 | 29% | 0.29 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -70.3 | -35.1 | 166.4 | -74.4 | -179 | -179.9 | 0 | 0 | 112.5 | Y1410 V1411 K1412 S1413 H1635 | Y1410-E1595 HydrophobicContact CE1-CG 4.27Å; Y1410-E1595 VanDerWaalsContact CE1-OE1 3.3Å; Y1410-E1595 WeakPolarHBondContact CE1-OE1 3.41Å; Y1410-E1595 WeakPolarHBondContact OH-CG 3.39Å; Y1410-E1595 PolarHBondContact OH-OE1 3.2Å; V1411-E1595 PolarHBondContact O-N 3.43Å; V1411-E1595 VanDerWaalsContact O-N 3.16Å; K1412-E1595 WeakPolarHBondContact CA-OE2 3.35Å; K1412-E1595 WeakPolarHBondContact CB-OE2 3.41Å; S1413-E1595 PolarHBondContact N-OE2 2.92Å; E1595-H1635 PolarHBondContact O-CE1 2.91Å |
| 1596 | S | 92.2 | Very high | 91.3 | Very high | 13 Ų | 13 | 27.4 Ų | 27.4 | 9% | 0.091 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -118.7 | 128.4 | 173.1 | -164.8 | 0 | 0 | 0 | 0 | 110.2 | E1598 D1599 | S1596-E1598 VanDerWaalsContact C-N 3.26Å; S1596-E1598 PolarHBondContact O-N 3.07Å; S1596-D1599 WeakPolarHBondContact CB-OD2 3.42Å; S1596-D1599 PolarHBondContact O-N 2.98Å |
| 1597 | Y | 91.6 | Very high | 92 | Very high | 23 Ų | 23 | 29.2 Ų | 29.2 | 9% | 0.09 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -60.2 | -39.2 | -177 | -176.2 | -104.5 | 0 | 0 | 0 | 111.7 | T729 D1599 Y1600 H1635 R1643 K1645 | T729-Y1597 WeakPolarHBondContact OG1-CB 3.12Å; T729-Y1597 PolarHBondContact OG1-N 2.83Å; Y1597-D1599 PolarHBondContact O-N 2.89Å; Y1597-D1599 VanDerWaalsContact O-N 3.09Å; Y1597-Y1600 HydrophobicContact CD1-CE1 4.37Å; Y1597-Y1600 HydrophobicContact CE1-CD1 4.23Å; Y1597-Y1600 AromaticContact CE1-CE1 3.83Å; Y1597-Y1600 HydrophobicContact CE1-CE1 3.83Å; Y1597-Y1600 VanDerWaalsContact O-CD1 3.24Å; Y1597-Y1600 WeakPolarHBondContact O-CD1 3.36Å; Y1597-Y1600 PolarHBondContact O-N 3.31Å; Y1597-H1635 HydrophobicContact CD2-CB 4.11Å; Y1597-R1643 HydrophobicContact CE2-CG 4.06Å; Y1597-K1645 HydrophobicContact CE2-CB 3.94Å |
| 1598 | E | 89.5 | Confident | 92.5 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 10% | 0.103 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -55.6 | -23.4 | 177.9 | -81.9 | 63 | -143.1 | 0 | 0 | 115.3 | R634 K728 T729 S1596 Y1600 L1601 | R634-E1598 IonicContact CZ-OE1 2.74Å; R634-E1598 IonicContact NH1-OE1 3.95Å; R634-E1598 IonicContact NH2-OE1 3.7Å; R634-E1598 PolarHBondContact NH2-OE1 3.35Å; K728-E1598 WeakPolarHBondContact CA-OE1 3.33Å; K728-E1598 HydrophobicContact CG-CG 4.17Å; T729-E1598 PolarHBondContact N-OE2 3.44Å; S1596-E1598 VanDerWaalsContact C-N 3.26Å; S1596-E1598 PolarHBondContact O-N 3.07Å; E1598-Y1600 PolarHBondContact O-N 3.37Å; E1598-Y1600 VanDerWaalsContact O-N 3.15Å; E1598-L1601 WeakPolarHBondContact O-CB 3.3Å; E1598-L1601 PolarHBondContact O-N 3.37Å; E1598-L1601 VanDerWaalsContact O-N 3.15Å |
| 1599 | D | 91.6 | Very high | 92.5 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 7% | 0.07 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -68.1 | -15.9 | -172.9 | -67.7 | -25.7 | 0 | 0 | 0 | 113 | V1411 S1413 G1414 L1594 S1596 Y1597 L1601 N1602 F1603 | V1411-D1599 HydrophobicContact CG1-CB 4.3Å; S1413-D1599 WeakPolarHBondContact CA-OD2 3.47Å; G1414-D1599 WeakPolarHBondContact CA-OD1 3.34Å; G1414-D1599 PolarHBondContact N-OD1 3.21Å; G1414-D1599 PolarHBondContact N-OD2 3.14Å; L1594-D1599 HydrophobicContact CD2-CB 4.25Å; S1596-D1599 WeakPolarHBondContact CB-OD2 3.42Å; S1596-D1599 PolarHBondContact O-N 2.98Å; Y1597-D1599 PolarHBondContact O-N 2.89Å; Y1597-D1599 VanDerWaalsContact O-N 3.09Å; D1599-L1601 PolarHBondContact O-N 2.67Å; D1599-N1602 PolarHBondContact O-N 2.8Å; D1599-N1602 VanDerWaalsContact O-N 3.15Å; D1599-F1603 PolarHBondContact O-N 3.47Å |
| 1600 | Y | 91.8 | Very high | 92.2 | Very high | 33 Ų | 33 | 31.3 Ų | 31.3 | 13% | 0.129 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -56.7 | -32.9 | 172.1 | 89.3 | -107.6 | 0 | 0 | 0 | 112.3 | Y1597 E1598 N1602 F1603 K1645 | Y1597-Y1600 HydrophobicContact CD1-CE1 4.37Å; Y1597-Y1600 HydrophobicContact CE1-CD1 4.23Å; Y1597-Y1600 AromaticContact CE1-CE1 3.83Å; Y1597-Y1600 HydrophobicContact CE1-CE1 3.83Å; Y1597-Y1600 VanDerWaalsContact O-CD1 3.24Å; Y1597-Y1600 WeakPolarHBondContact O-CD1 3.36Å; Y1597-Y1600 PolarHBondContact O-N 3.31Å; E1598-Y1600 PolarHBondContact O-N 3.37Å; E1598-Y1600 VanDerWaalsContact O-N 3.15Å; Y1600-N1602 PolarHBondContact O-N 3.42Å; Y1600-F1603 PolarHBondContact O-N 2.81Å; Y1600-K1645 HydrophobicContact CD1-CG 4.25Å; Y1600-K1645 HydrophobicContact CE1-CD 4.48Å; Y1600-K1645 HydrophobicContact CE1-CG 4.47Å; Y1600-K1645 HydrophobicContact CG-CG 4.33Å |
| 1601 | L | 86.9 | Confident | 91.9 | Very high | 46 Ų | 46 | 32.2 Ų | 32.2 | 24% | 0.241 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -68.6 | -19.3 | -177.5 | -70 | 165.3 | 0 | 0 | 0 | 113.2 | E629 V632 E1598 D1599 | E629-L1601 HydrophobicContact CB-CD2 4.47Å; V632-L1601 HydrophobicContact CG2-CB 3.92Å; V632-L1601 HydrophobicContact CG2-CD1 3.79Å; V632-L1601 HydrophobicContact CG2-CG 4.44Å; E1598-L1601 WeakPolarHBondContact O-CB 3.3Å; E1598-L1601 PolarHBondContact O-N 3.37Å; E1598-L1601 VanDerWaalsContact O-N 3.15Å; D1599-L1601 PolarHBondContact O-N 2.67Å |
| 1602 | N | 88.2 | Confident | 91.6 | Very high | 70 Ų | 70 | 32.2 Ų | 32.2 | 37% | 0.374 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -122.7 | 17.2 | -176.5 | -55.7 | -82 | 0 | 0 | 0 | 112.2 | T1416 D1599 Y1600 P1604 | T1416-N1602 HydrophobicContact CG2-CB 3.73Å; D1599-N1602 PolarHBondContact O-N 2.8Å; D1599-N1602 VanDerWaalsContact O-N 3.15Å; Y1600-N1602 PolarHBondContact O-N 3.42Å; N1602-P1604 WeakPolarHBondContact O-CD 3.44Å |
| 1603 | F | 92.5 | Very high | 91.1 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 10% | 0.096 | 18% | 0.181 | C | C | . | . | trans | -68.7 | 120.8 | -175.7 | -177.4 | -108.7 | 0 | 0 | 0 | 111.6 | V1411 I1421 F1590 V1592 D1599 Y1600 L1605 L1608 V1631 F1633 | V1411-F1603 HydrophobicContact CG2-CD2 4.15Å; V1411-F1603 HydrophobicContact CG2-CE2 3.97Å; I1421-F1603 HydrophobicContact CD1-CD2 4.4Å; I1421-F1603 HydrophobicContact CD1-CE2 4.37Å; F1590-F1603 HydrophobicContact CD1-CE1 4.26Å; F1590-F1603 HydrophobicContact CD1-CZ 4.34Å; V1592-F1603 HydrophobicContact CB-CE2 4.43Å; V1592-F1603 HydrophobicContact CB-CZ 4.5Å; V1592-F1603 HydrophobicContact CG1-CD2 4.05Å; V1592-F1603 HydrophobicContact CG1-CE2 3.61Å; V1592-F1603 HydrophobicContact CG1-CZ 4.14Å; V1592-F1603 HydrophobicContact CG2-CE1 4Å; V1592-F1603 HydrophobicContact CG2-CE2 3.87Å; V1592-F1603 HydrophobicContact CG2-CZ 3.49Å; V1592-F1603 VanDerWaalsContact CG2-CZ 3.49Å; D1599-F1603 PolarHBondContact O-N 3.47Å; Y1600-F1603 PolarHBondContact O-N 2.81Å; F1603-L1605 HydrophobicContact CD1-CB 4.08Å; F1603-L1605 HydrophobicContact CE1-CB 4.29Å; F1603-L1605 HydrophobicContact CE1-CD1 4.15Å; F1603-L1605 PolarHBondContact O-N 3.07Å; F1603-L1608 HydrophobicContact CD2-CD1 4.31Å; F1603-L1608 HydrophobicContact CE1-CD1 4.01Å; F1603-L1608 HydrophobicContact CE2-CD1 3.5Å; F1603-L1608 VanDerWaalsContact CE2-CD1 3.5Å; F1603-L1608 HydrophobicContact CZ-CD1 3.32Å; F1603-V1631 HydrophobicContact CE1-CG1 4.4Å; F1603-F1633 HydrophobicContact CB-CE1 3.99Å; F1603-F1633 HydrophobicContact CB-CZ 4.09Å; F1603-F1633 HydrophobicContact CD1-CE1 4.09Å; F1603-F1633 HydrophobicContact CD1-CZ 4.07Å; F1603-F1633 HydrophobicContact CD2-CE1 4.22Å; F1603-F1633 AromaticContact CG-CE1 3.84Å; F1603-F1633 HydrophobicContact CG-CE1 3.84Å; F1603-F1633 HydrophobicContact CG-CZ 4.13Å | ||
| 1604 | P | 93.7 | Very high | 90.6 | Very high | 17 Ų | 17 | 36.4 Ų | 36.4 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | trans | -81.2 | 64.1 | -170.9 | 34 | -37.6 | 0 | 0 | 0 | 112.4 | T1416 A1418 I1421 N1602 E1606 D1607 L1608 | T1416-P1604 WeakPolarHBondContact O-CG 3.33Å; A1418-P1604 HydrophobicContact CB-CB 4.48Å; A1418-P1604 HydrophobicContact CB-CG 4.16Å; I1421-P1604 HydrophobicContact CD1-CG 3.69Å; N1602-P1604 WeakPolarHBondContact O-CD 3.44Å; P1604-E1606 VanDerWaalsContact C-N 3.32Å; P1604-E1606 PolarHBondContact O-N 3.34Å; P1604-D1607 HydrophobicContact CB-CB 4.4Å; P1604-D1607 PolarHBondContact O-N 2.92Å; P1604-L1608 HydrophobicContact CG-CD1 4.01Å; P1604-L1608 HydrophobicContact CG-CG 4.28Å; P1604-L1608 WeakPolarHBondContact O-CB 3.32Å; P1604-L1608 WeakPolarHBondContact O-CG 3.45Å; P1604-L1608 PolarHBondContact O-N 2.88Å | ||
| 1605 | L | 91.4 | Very high | 89.9 | Confident | 19 Ų | 19 | 38.3 Ų | 38.3 | 10% | 0.099 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.4 | -37.6 | -174.6 | 179.5 | 59.8 | 0 | 0 | 0 | 113.6 | F1590 F1603 L1609 A1626 C1629 V1631 | F1590-L1605 HydrophobicContact CD1-CD1 3.95Å; F1590-L1605 HydrophobicContact CD2-CD1 4.02Å; F1590-L1605 HydrophobicContact CE1-CD1 3.76Å; F1590-L1605 HydrophobicContact CE2-CD1 3.81Å; F1590-L1605 HydrophobicContact CG-CD1 4.11Å; F1590-L1605 HydrophobicContact CZ-CD1 3.7Å; F1603-L1605 HydrophobicContact CD1-CB 4.08Å; F1603-L1605 HydrophobicContact CE1-CB 4.29Å; F1603-L1605 HydrophobicContact CE1-CD1 4.15Å; F1603-L1605 PolarHBondContact O-N 3.07Å; L1605-L1609 WeakPolarHBondContact O-CG 3.38Å; L1605-L1609 PolarHBondContact O-N 3.15Å; L1605-L1609 VanDerWaalsContact O-N 3.13Å; L1605-A1626 HydrophobicContact CD2-CB 4.01Å; L1605-A1626 WeakPolarHBondContact CD2-O 3.21Å; L1605-A1626 HydrophobicContact CG-CB 3.99Å; L1605-C1629 HydrophobicContact CD1-CB 4.25Å; L1605-C1629 HydrophobicContact CD2-CB 4.27Å; L1605-V1631 HydrophobicContact CD1-CG2 4.09Å; L1605-V1631 HydrophobicContact CD2-CG2 4.11Å |
| 1606 | E | 90.1 | Very high | 89.1 | Confident | 153 Ų | 153 | 38.9 Ų | 38.9 | 72% | 0.715 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -72.1 | -38.6 | -178.5 | -168.9 | 158.9 | -154.7 | 0 | 0 | 112.6 | P1604 A1626 | P1604-E1606 VanDerWaalsContact C-N 3.32Å; P1604-E1606 PolarHBondContact O-N 3.34Å; E1606-A1626 HydrophobicContact CB-CB 4.18Å |
| 1607 | D | 90.8 | Very high | 88.2 | Confident | 103 Ų | 103 | 39.8 Ų | 39.8 | 55% | 0.551 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -69.5 | -41.5 | 173.2 | -69.8 | -27.3 | 0 | 0 | 0 | 111.8 | A1418 P1604 L1609 A1610 | A1418-D1607 HydrophobicContact CB-CB 3.54Å; P1604-D1607 HydrophobicContact CB-CB 4.4Å; P1604-D1607 PolarHBondContact O-N 2.92Å; D1607-L1609 VanDerWaalsContact C-N 3.28Å; D1607-L1609 PolarHBondContact O-N 2.77Å; D1607-A1610 WeakPolarHBondContact O-CB 3.33Å; D1607-A1610 PolarHBondContact O-N 3.28Å |
| 1608 | L | 93.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.5 | -26.3 | -178.2 | -72.6 | 170.3 | 0 | 0 | 0 | 112.7 | F1409 A1418 I1421 I1422 F1590 F1603 P1604 A1610 Y1611 | F1409-L1608 HydrophobicContact CD1-CD1 4.4Å; F1409-L1608 HydrophobicContact CD1-CD2 4.09Å; F1409-L1608 HydrophobicContact CE1-CB 4.38Å; F1409-L1608 HydrophobicContact CE1-CD1 4.46Å; F1409-L1608 HydrophobicContact CE1-CD2 3.78Å; F1409-L1608 HydrophobicContact CE1-CG 4.44Å; F1409-L1608 HydrophobicContact CZ-CB 4.41Å; A1418-L1608 HydrophobicContact CB-CD2 3.61Å; A1418-L1608 HydrophobicContact CB-CG 3.77Å; I1421-L1608 HydrophobicContact CD1-CD1 4.23Å; I1421-L1608 HydrophobicContact CG2-CD1 4.49Å; I1421-L1608 HydrophobicContact CG2-CD2 4.44Å; I1422-L1608 HydrophobicContact CD1-CD2 4.18Å; I1422-L1608 HydrophobicContact CG1-CD2 3.98Å; F1590-L1608 HydrophobicContact CE1-CB 4.2Å; F1603-L1608 HydrophobicContact CD2-CD1 4.31Å; F1603-L1608 HydrophobicContact CE1-CD1 4.01Å; F1603-L1608 HydrophobicContact CE2-CD1 3.5Å; F1603-L1608 VanDerWaalsContact CE2-CD1 3.5Å; F1603-L1608 HydrophobicContact CZ-CD1 3.32Å; P1604-L1608 HydrophobicContact CG-CD1 4.01Å; P1604-L1608 HydrophobicContact CG-CG 4.28Å; P1604-L1608 WeakPolarHBondContact O-CB 3.32Å; P1604-L1608 WeakPolarHBondContact O-CG 3.45Å; P1604-L1608 PolarHBondContact O-N 2.88Å; L1608-A1610 PolarHBondContact O-N 3.04Å; L1608-A1610 VanDerWaalsContact O-N 3.14Å; L1608-Y1611 PolarHBondContact O-N 3.05Å |
| 1609 | L | 90.1 | Very high | 85.3 | Confident | 21 Ų | 21 | 48.6 Ų | 48.6 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -54.2 | -32.1 | 174.4 | -92.9 | 167.9 | 0 | 0 | 0 | 113.1 | K1588 F1590 L1605 D1607 Y1611 T1612 P1624 A1626 | K1588-L1609 HydrophobicContact CG-CD2 4.37Å; F1590-L1609 HydrophobicContact CE2-CD2 4.12Å; F1590-L1609 HydrophobicContact CZ-CD2 3.93Å; F1590-L1609 HydrophobicContact CZ-CG 4.03Å; L1605-L1609 WeakPolarHBondContact O-CG 3.38Å; L1605-L1609 PolarHBondContact O-N 3.15Å; L1605-L1609 VanDerWaalsContact O-N 3.13Å; D1607-L1609 VanDerWaalsContact C-N 3.28Å; D1607-L1609 PolarHBondContact O-N 2.77Å; L1609-Y1611 PolarHBondContact O-N 2.92Å; L1609-Y1611 VanDerWaalsContact O-N 3.12Å; L1609-T1612 PolarHBondContact O-N 3.18Å; L1609-T1612 PolarHBondContact O-OG1 3.43Å; L1609-P1624 HydrophobicContact CD2-CG 4.17Å; L1609-A1626 HydrophobicContact CD1-CB 4.28Å |
| 1610 | A | 88.2 | Confident | 83.7 | Confident | 38 Ų | 38 | 53.8 Ų | 53.8 | 31% | 0.314 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -60.9 | -20.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1509 N1512 D1607 L1608 | L1509-A1610 HydrophobicContact CD1-CB 3.87Å; N1512-A1610 PolarHBondContact ND2-O 2.87Å; D1607-A1610 WeakPolarHBondContact O-CB 3.33Å; D1607-A1610 PolarHBondContact O-N 3.28Å; L1608-A1610 PolarHBondContact O-N 3.04Å; L1608-A1610 VanDerWaalsContact O-N 3.14Å |
| 1611 | Y | 90.8 | Very high | 82.1 | Confident | 19 Ų | 19 | 59.4 Ų | 59.4 | 8% | 0.075 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -92.3 | -2.1 | 178.6 | -60.5 | -104.3 | 0 | 0 | 0 | 113.1 | I1422 L1509 L1608 L1609 | I1422-Y1611 HydrophobicContact CB-CE1 4.33Å; I1422-Y1611 HydrophobicContact CD1-CD1 3.67Å; I1422-Y1611 HydrophobicContact CD1-CD2 4.43Å; I1422-Y1611 HydrophobicContact CD1-CE1 4Å; I1422-Y1611 HydrophobicContact CD1-CG 3.92Å; I1422-Y1611 HydrophobicContact CG1-CD1 3.94Å; I1422-Y1611 HydrophobicContact CG1-CD2 4.47Å; I1422-Y1611 HydrophobicContact CG1-CE1 3.72Å; I1422-Y1611 HydrophobicContact CG1-CE2 4.29Å; I1422-Y1611 HydrophobicContact CG1-CG 4.32Å; I1422-Y1611 HydrophobicContact CG2-CD1 4.43Å; I1422-Y1611 HydrophobicContact CG2-CE1 3.98Å; L1509-Y1611 HydrophobicContact CB-CD1 3.85Å; L1509-Y1611 HydrophobicContact CB-CE1 3.69Å; L1509-Y1611 HydrophobicContact CD1-CE1 4.49Å; L1509-Y1611 HydrophobicContact CD1-CE2 4.4Å; L1509-Y1611 HydrophobicContact CD2-CE1 4.09Å; L1509-Y1611 HydrophobicContact CG-CE1 4.31Å; L1608-Y1611 PolarHBondContact O-N 3.05Å; L1609-Y1611 PolarHBondContact O-N 2.92Å; L1609-Y1611 VanDerWaalsContact O-N 3.12Å |
| 1612 | T | 90.4 | Very high | 81 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | trans | -116.9 | 19.6 | -165.2 | 68.8 | 0 | 0 | 0 | 0 | 115.4 | Y1407 F1409 K1588 F1590 L1609 | Y1407-T1612 HydrophobicContact CD1-CG2 3.65Å; Y1407-T1612 HydrophobicContact CD2-CG2 4.05Å; Y1407-T1612 HydrophobicContact CE1-CG2 4.18Å; Y1407-T1612 HydrophobicContact CG-CG2 3.57Å; Y1407-T1612 VanDerWaalsContact CZ-O 3.31Å; Y1407-T1612 PolarHBondContact OH-O 3.03Å; Y1407-T1612 VanDerWaalsContact OH-O 3.12Å; F1409-T1612 HydrophobicContact CZ-CG2 4.02Å; K1588-T1612 PolarHBondContact NZ-O 2.87Å; F1590-T1612 HydrophobicContact CE1-CG2 4.1Å; F1590-T1612 HydrophobicContact CZ-CG2 3.88Å; L1609-T1612 PolarHBondContact O-N 3.18Å; L1609-T1612 PolarHBondContact O-OG1 3.43Å | ||
| 1613 | R | 86.6 | Confident | 80 | Confident | 85 Ų | 85 | 59.2 Ų | 59.2 | 32% | 0.321 | 31% | 0.309 | S | S | . | . | trans | -73.4 | 139.6 | 175.4 | -58 | -175.5 | -176.3 | 163.7 | 1.3 | 111 | F1459 N1512 E1617 | F1459-R1613 WeakPolarHBondContact CE1-O 2.95Å; N1512-R1613 PolarHBondContact O-NH1 3.22Å; R1613-E1617 WeakPolarHBondContact CA-OE1 3.42Å | ||
| 1614 | T | 85.6 | Confident | 78.9 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | trans | -91.8 | -17.2 | 175 | 61.9 | 0 | 0 | 0 | 0 | 112.7 | Y1407 W1456 F1459 A1460 E1616 E1617 | Y1407-T1614 VanDerWaalsContact OH-CG2 3.25Å; Y1407-T1614 WeakPolarHBondContact OH-CG2 3.48Å; W1456-T1614 HydrophobicContact CH2-CG2 4.27Å; W1456-T1614 HydrophobicContact CZ2-CG2 3.86Å; F1459-T1614 WeakPolarHBondContact CA-O 3.36Å; A1460-T1614 PolarHBondContact N-O 3.36Å; T1614-E1616 PolarHBondContact OG1-N 2.97Å; T1614-E1616 PolarHBondContact OG1-OE2 3.29Å; T1614-E1617 PolarHBondContact N-OE1 3.01Å; T1614-E1617 VanDerWaalsContact N-OE1 3.1Å; T1614-E1617 PolarHBondContact N-OE2 3.39Å; T1614-E1617 PolarHBondContact OG1-OE2 2.81Å | ||
| 1615 | G | 79.9 | Confident | 78.3 | Confident | 40 Ų | 40 | 66.9 Ų | 66.9 | 41% | 0.412 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 91.3 | 0.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1617 | G1615-E1617 VanDerWaalsContact C-N 3.34Å; G1615-E1617 PolarHBondContact N-OE2 3.33Å |
| 1616 | E | 76.4 | Confident | 77.9 | Confident | 74 Ų | 74 | 67.3 Ų | 67.3 | 35% | 0.346 | 35% | 0.345 | S | S | . | . | trans | -83 | -14.3 | 169.9 | -63.8 | 179.1 | 112.9 | 0 | 0 | 112.1 | H1403 A1460 T1614 L1618 | H1403-E1616 IonicContact CE1-OE1 2.76Å; H1403-E1616 PolarHBondContact CE1-OE1 2.74Å; H1403-E1616 VanDerWaalsContact CE1-OE1 3.31Å; H1403-E1616 IonicContact NE2-OE1 3.46Å; H1403-E1616 PolarHBondContact NE2-OE1 2.9Å; H1403-E1616 IonicContact NE2-OE2 3.41Å; H1403-E1616 PolarHBondContact NE2-OE2 3.47Å; A1460-E1616 HydrophobicContact CB-CG 4.13Å; T1614-E1616 PolarHBondContact OG1-N 2.97Å; T1614-E1616 PolarHBondContact OG1-OE2 3.29Å; E1616-L1618 VanDerWaalsContact C-N 3.26Å; E1616-L1618 PolarHBondContact O-N 2.72Å | ||
| 1617 | E | 73.6 | Confident | 77.4 | Confident | 32 Ų | 32 | 63.1 Ų | 63.1 | 15% | 0.15 | 33% | 0.333 | C | S | . | . | trans | -78.2 | 60.7 | -174.9 | -54.8 | 95.5 | 154.2 | 0 | 0 | 113.7 | K1588 R1613 T1614 G1615 Q1619 L1623 | K1588-E1617 IonicContact NZ-OE1 3.57Å; K1588-E1617 PolarHBondContact NZ-OE1 2.98Å; R1613-E1617 WeakPolarHBondContact CA-OE1 3.42Å; T1614-E1617 PolarHBondContact N-OE1 3.01Å; T1614-E1617 VanDerWaalsContact N-OE1 3.1Å; T1614-E1617 PolarHBondContact N-OE2 3.39Å; T1614-E1617 PolarHBondContact OG1-OE2 2.81Å; G1615-E1617 VanDerWaalsContact C-N 3.34Å; G1615-E1617 PolarHBondContact N-OE2 3.33Å; E1617-Q1619 PolarHBondContact O-N 3.14Å; E1617-Q1619 VanDerWaalsContact O-N 3.14Å; E1617-L1623 HydrophobicContact CB-CD2 4.46Å | ||
| 1618 | L | 58.3 | Low | 76.9 | Confident | 135 Ų | 135 | 60.7 Ų | 60.7 | 71% | 0.707 | 32% | 0.32 | S | S | * | . | trans | -65.7 | -11.2 | -173.5 | -74.5 | 168.6 | 0 | 0 | 0 | 116.3 | E1616 | E1616-L1618 VanDerWaalsContact C-N 3.26Å; E1616-L1618 PolarHBondContact O-N 2.72Å | ||
| 1619 | Q | 60.8 | Low | 76.8 | Confident | 95 Ų | 95 | 60.9 Ų | 60.9 | 44% | 0.444 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -134.3 | 140.8 | 178.8 | -62.4 | -175.3 | -5.5 | 0 | 0 | 111.6 | E1617 Q1621 Q1622 | E1617-Q1619 PolarHBondContact O-N 3.14Å; E1617-Q1619 VanDerWaalsContact O-N 3.14Å; Q1619-Q1621 PolarHBondContact O-N 2.95Å; Q1619-Q1622 HydrophobicContact CB-CG 4.22Å; Q1619-Q1622 WeakPolarHBondContact O-CA 3.46Å; Q1619-Q1622 WeakPolarHBondContact O-CB 3.44Å; Q1619-Q1622 PolarHBondContact O-N 2.63Å |
| 1620 | T | 58.5 | Low | 76.9 | Confident | 123 Ų | 123 | 60.3 Ų | 60.3 | 76% | 0.755 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -57.2 | -27.4 | -179.2 | -29.9 | 0 | 0 | 0 | 0 | 113.4 | Q1622 L1623 | T1620-Q1622 VanDerWaalsContact C-N 3.26Å; T1620-Q1622 PolarHBondContact O-N 2.83Å; T1620-L1623 HydrophobicContact CG2-CD1 3.87Å; T1620-L1623 PolarHBondContact O-N 2.68Å |
| 1621 | Q | 57.6 | Low | 77.2 | Confident | 150 Ų | 150 | 58.6 Ų | 58.6 | 70% | 0.701 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -77.4 | -7.6 | 176.3 | -66.5 | -176.1 | -12.4 | 0 | 0 | 114 | L1582 Q1619 | L1582-Q1621 HydrophobicContact CD1-CB 4.21Å; L1582-Q1621 HydrophobicContact CD2-CB 4.09Å; Q1619-Q1621 PolarHBondContact O-N 2.95Å |
| 1622 | Q | 63.8 | Low | 77.4 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 21% | 0.21 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -99 | -2.3 | 174.1 | -58.9 | 178.9 | -70.8 | 0 | 0 | 112.7 | A1585 Q1619 T1620 P1624 | A1585-Q1622 WeakPolarHBondContact CB-O 3.45Å; Q1619-Q1622 HydrophobicContact CB-CG 4.22Å; Q1619-Q1622 WeakPolarHBondContact O-CA 3.46Å; Q1619-Q1622 WeakPolarHBondContact O-CB 3.44Å; Q1619-Q1622 PolarHBondContact O-N 2.63Å; T1620-Q1622 VanDerWaalsContact C-N 3.26Å; T1620-Q1622 PolarHBondContact O-N 2.83Å; Q1622-P1624 WeakPolarHBondContact O-CD 3.28Å |
| 1623 | L | 68 | Low | 77.7 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 35% | 0.351 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -64.8 | 122.6 | 173.7 | -72.8 | 169 | 0 | 0 | 0 | 109.6 | E1617 T1620 | E1617-L1623 HydrophobicContact CB-CD2 4.46Å; T1620-L1623 HydrophobicContact CG2-CD1 3.87Å; T1620-L1623 PolarHBondContact O-N 2.68Å |
| 1624 | P | 70 | Confident | 78.2 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 16% | 0.156 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 146.1 | 179.3 | 27.4 | -31.8 | 0 | 0 | 0 | 110.8 | A1585 K1588 L1609 Q1622 | A1585-P1624 HydrophobicContact CB-CB 4.27Å; K1588-P1624 HydrophobicContact CD-CG 4.26Å; K1588-P1624 HydrophobicContact CG-CB 3.97Å; K1588-P1624 HydrophobicContact CG-CG 3.54Å; L1609-P1624 HydrophobicContact CD2-CG 4.17Å; Q1622-P1624 WeakPolarHBondContact O-CD 3.28Å |
| 1625 | R | 80.4 | Confident | 78.6 | Confident | 177 Ų | 177 | 54.4 Ų | 54.4 | 67% | 0.668 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -93.8 | 156 | 177.9 | -61.2 | 176.4 | -175.4 | 174.6 | 1 | 110.5 | S1627 D1628 C1629 | R1625-S1627 WeakPolarHBondContact CB-OG 3.17Å; R1625-S1627 PolarHBondContact O-N 3.15Å; R1625-D1628 PolarHBondContact O-N 2.9Å; R1625-C1629 PolarHBondContact O-SG 3.28Å |
| 1626 | A | 82.3 | Confident | 79.2 | Confident | 27 Ų | 27 | 53.4 Ų | 53.4 | 22% | 0.223 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -54.4 | -34.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1605 E1606 L1609 D1628 C1629 | L1605-A1626 HydrophobicContact CD2-CB 4.01Å; L1605-A1626 WeakPolarHBondContact CD2-O 3.21Å; L1605-A1626 HydrophobicContact CG-CB 3.99Å; E1606-A1626 HydrophobicContact CB-CB 4.18Å; L1609-A1626 HydrophobicContact CD1-CB 4.28Å; A1626-D1628 PolarHBondContact O-N 3.38Å; A1626-C1629 PolarHBondContact O-N 3.02Å |
| 1627 | S | 80.1 | Confident | 79.9 | Confident | 66 Ų | 66 | 50.2 Ų | 50.2 | 46% | 0.462 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -60.3 | -21.7 | 174.5 | 55.2 | 0 | 0 | 0 | 0 | 115.4 | R1625 P1649 | R1625-S1627 WeakPolarHBondContact CB-OG 3.17Å; R1625-S1627 PolarHBondContact O-N 3.15Å; S1627-P1649 WeakPolarHBondContact O-CA 3.29Å; S1627-P1649 WeakPolarHBondContact O-CB 3.38Å |
| 1628 | D | 81.2 | Confident | 80.5 | Confident | 52 Ų | 52 | 56.3 Ų | 56.3 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -107.7 | -0 | -169.3 | -64.1 | 25.7 | 0 | 0 | 0 | 111.9 | R1625 A1626 | R1625-D1628 PolarHBondContact O-N 2.9Å; A1626-D1628 PolarHBondContact O-N 3.38Å |
| 1629 | C | 89.7 | Confident | 81.8 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.02 | 27% | 0.268 | C | S | . | . | trans | -92.9 | 148 | -176.2 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | F1590 L1605 R1625 A1626 G1648 P1649 | F1590-C1629 HydrophobicContact CD2-CB 4.33Å; F1590-C1629 HydrophobicContact CE2-CB 4.17Å; L1605-C1629 HydrophobicContact CD1-CB 4.25Å; L1605-C1629 HydrophobicContact CD2-CB 4.27Å; R1625-C1629 PolarHBondContact O-SG 3.28Å; A1626-C1629 PolarHBondContact O-N 3.02Å; C1629-G1648 WeakPolarHBondContact O-CA 3.47Å; C1629-P1649 WeakPolarHBondContact O-CD 3.35Å | ||
| 1630 | H | 92.2 | Very high | 83.1 | Confident | 10 Ų | 10 | 47.2 Ų | 47.2 | 5% | 0.046 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 132.5 | 173.4 | -57.3 | -106 | 0 | 0 | 0 | 108.9 | K1588 I1589 F1590 S1654 I1681 | K1588-H1630 PolarHBondContact O-N 3.13Å; I1589-H1630 CarbonylContact C-O 3.5Å; I1589-H1630 WeakPolarHBondContact CA-O 3.3Å; F1590-H1630 PolarHBondContact N-O 2.92Å; H1630-S1654 PolarHBondContact CE1-O 3.03Å; H1630-S1654 PolarHBondContact ND1-O 3.45Å; H1630-I1681 HydrophobicContact CB-CD1 4.23Å; H1630-I1681 HydrophobicContact CB-CG2 4.3Å |
| 1631 | V | 94.7 | Very high | 84.8 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 126.4 | 180 | -164.9 | 0 | 0 | 0 | 0 | 109.6 | F1590 V1592 F1603 L1605 F1633 Q1647 | F1590-V1631 HydrophobicContact CB-CB 4.3Å; F1590-V1631 HydrophobicContact CB-CG1 3.9Å; F1590-V1631 HydrophobicContact CB-CG2 4.16Å; F1590-V1631 WeakPolarHBondContact O-CA 3.37Å; V1592-V1631 HydrophobicContact CB-CG1 4.44Å; V1592-V1631 HydrophobicContact CG2-CG1 3.58Å; F1603-V1631 HydrophobicContact CE1-CG1 4.4Å; L1605-V1631 HydrophobicContact CD1-CG2 4.09Å; L1605-V1631 HydrophobicContact CD2-CG2 4.11Å; V1631-F1633 HydrophobicContact CB-CD2 4.38Å; V1631-F1633 HydrophobicContact CB-CE2 3.87Å; V1631-F1633 HydrophobicContact CB-CZ 4.18Å; V1631-F1633 HydrophobicContact CG1-CD1 4.19Å; V1631-F1633 HydrophobicContact CG1-CD2 3.92Å; V1631-F1633 HydrophobicContact CG1-CE1 3.83Å; V1631-F1633 HydrophobicContact CG1-CE2 3.52Å; V1631-F1633 HydrophobicContact CG1-CG 4.24Å; V1631-F1633 HydrophobicContact CG1-CZ 3.49Å; V1631-F1633 VanDerWaalsContact CG1-CZ 3.49Å; V1631-Q1647 HydrophobicContact CB-CB 4.21Å; V1631-Q1647 PolarHBondContact N-O 2.87Å; V1631-Q1647 PolarHBondContact O-N 3.15Å |
| 1632 | I | 95.9 | Very high | 86.5 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 98.9 | 175.3 | -54.5 | 173.8 | 0 | 0 | 0 | 106.4 | I1589 F1590 L1591 V1592 V1634 V1644 L1646 L1659 V1674 T1677 | I1589-I1632 HydrophobicContact CG2-CD1 4.29Å; F1590-I1632 PolarHBondContact O-N 2.69Å; L1591-I1632 WeakPolarHBondContact CA-O 3.34Å; L1591-I1632 HydrophobicContact CD1-CB 4.05Å; L1591-I1632 HydrophobicContact CD1-CG2 3.91Å; V1592-I1632 PolarHBondContact N-O 2.94Å; I1632-V1634 HydrophobicContact CG2-CG2 4.33Å; I1632-V1644 HydrophobicContact CG2-CG1 4.24Å; I1632-L1646 HydrophobicContact CB-CD2 4.24Å; I1632-L1646 HydrophobicContact CG1-CD2 4.01Å; I1632-L1646 HydrophobicContact CG2-CD2 3.97Å; I1632-L1659 HydrophobicContact CD1-CD1 4.36Å; I1632-L1659 HydrophobicContact CG2-CD1 3.87Å; I1632-V1674 HydrophobicContact CD1-CG1 4.47Å; I1632-T1677 HydrophobicContact CD1-CG2 4.06Å |
| 1633 | F | 96.6 | Very high | 88 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 137.4 | 173.3 | -60.3 | -85.1 | 0 | 0 | 0 | 109.9 | V1592 L1594 F1603 V1631 V1644 K1645 Q1647 | V1592-F1633 HydrophobicContact CB-CD1 3.61Å; V1592-F1633 HydrophobicContact CB-CE1 4.02Å; V1592-F1633 HydrophobicContact CB-CG 4.44Å; V1592-F1633 HydrophobicContact CG1-CD1 3.76Å; V1592-F1633 HydrophobicContact CG1-CE1 3.97Å; V1592-F1633 HydrophobicContact CG2-CD1 4.22Å; V1592-F1633 HydrophobicContact CG2-CE1 4.19Å; V1592-F1633 CarbonylContact O-C 3.47Å; V1592-F1633 WeakPolarHBondContact O-CA 3.2Å; L1594-F1633 HydrophobicContact CD1-CB 3.92Å; L1594-F1633 HydrophobicContact CD1-CD1 3.73Å; L1594-F1633 HydrophobicContact CD1-CG 4.13Å; L1594-F1633 HydrophobicContact CD2-CD1 4Å; L1594-F1633 HydrophobicContact CD2-CE1 4.49Å; L1594-F1633 HydrophobicContact CG-CB 4.41Å; L1594-F1633 HydrophobicContact CG-CD1 3.99Å; F1603-F1633 HydrophobicContact CB-CE1 3.99Å; F1603-F1633 HydrophobicContact CB-CZ 4.09Å; F1603-F1633 HydrophobicContact CD1-CE1 4.09Å; F1603-F1633 HydrophobicContact CD1-CZ 4.07Å; F1603-F1633 HydrophobicContact CD2-CE1 4.22Å; F1603-F1633 AromaticContact CG-CE1 3.84Å; F1603-F1633 HydrophobicContact CG-CE1 3.84Å; F1603-F1633 HydrophobicContact CG-CZ 4.13Å; V1631-F1633 HydrophobicContact CB-CD2 4.38Å; V1631-F1633 HydrophobicContact CB-CE2 3.87Å; V1631-F1633 HydrophobicContact CB-CZ 4.18Å; V1631-F1633 HydrophobicContact CG1-CD1 4.19Å; V1631-F1633 HydrophobicContact CG1-CD2 3.92Å; V1631-F1633 HydrophobicContact CG1-CE1 3.83Å; V1631-F1633 HydrophobicContact CG1-CE2 3.52Å; V1631-F1633 HydrophobicContact CG1-CG 4.24Å; V1631-F1633 HydrophobicContact CG1-CZ 3.49Å; V1631-F1633 VanDerWaalsContact CG1-CZ 3.49Å; F1633-V1644 WeakPolarHBondContact O-CA 3.38Å; F1633-K1645 HydrophobicContact CB-CB 4.07Å; F1633-K1645 HydrophobicContact CD2-CB 4.45Å; F1633-K1645 HydrophobicContact CD2-CG 4.16Å; F1633-K1645 PolarHBondContact N-O 2.67Å; F1633-K1645 PolarHBondContact O-N 2.79Å; F1633-Q1647 HydrophobicContact CE2-CB 4.05Å |
| 1634 | V | 96.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 125.4 | 178.1 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | L1591 V1592 W1593 L1594 I1632 L1642 | L1591-V1634 HydrophobicContact CD1-CG2 3.87Å; V1592-V1634 PolarHBondContact O-N 2.83Å; W1593-V1634 WeakPolarHBondContact CA-O 3.24Å; W1593-V1634 HydrophobicContact CE3-CB 4.19Å; W1593-V1634 HydrophobicContact CE3-CG1 3.9Å; W1593-V1634 HydrophobicContact CZ3-CG1 3.79Å; L1594-V1634 PolarHBondContact N-O 2.85Å; I1632-V1634 HydrophobicContact CG2-CG2 4.33Å; V1634-L1642 HydrophobicContact CG1-CB 4.08Å; V1634-L1642 HydrophobicContact CG1-CD1 4.14Å; V1634-L1642 HydrophobicContact CG1-CD2 4.48Å; V1634-L1642 HydrophobicContact CG1-CG 4.47Å |
| 1635 | H | 94.8 | Very high | 90.4 | Very high | 16 Ų | 16 | 29.7 Ų | 29.7 | 7% | 0.074 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 129.5 | 178.3 | 177.2 | 52.5 | 0 | 0 | 0 | 109.7 | T729 L1594 E1595 Y1597 L1642 R1643 | T729-H1635 PolarHBondContact OG1-NE2 3.11Å; T729-H1635 VanDerWaalsContact OG1-NE2 3.11Å; L1594-H1635 HydrophobicContact CB-CB 4.44Å; L1594-H1635 PolarHBondContact O-ND1 3.45Å; E1595-H1635 PolarHBondContact O-CE1 2.91Å; Y1597-H1635 HydrophobicContact CD2-CB 4.11Å; H1635-L1642 CarbonylContact O-C 3.58Å; H1635-L1642 WeakPolarHBondContact O-CA 3.44Å; H1635-R1643 PolarHBondContact N-O 2.91Å; H1635-R1643 PolarHBondContact O-N 2.75Å |
| 1636 | S | 92.4 | Very high | 90.9 | Very high | 19 Ų | 19 | 21.8 Ų | 21.8 | 13% | 0.133 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 129.5 | 176.2 | -175.3 | 0 | 0 | 0 | 0 | 111.2 | D1434 R1667 | D1434-S1636 WeakPolarHBondContact OD2-CB 3.5Å; S1636-R1667 PolarHBondContact OG-NH2 3.37Å |
| 1637 | L | 90.8 | Very high | 91.3 | Very high | 7 Ų | 7 | 24.6 Ų | 24.6 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | trans | -88.7 | 150.4 | 176.5 | -64.3 | -176.1 | 0 | 0 | 0 | 110.8 | D775 S1639 G1640 L1641 R1643 V1664 | D775-L1637 WeakPolarHBondContact OD2-CA 3.13Å; D775-L1637 WeakPolarHBondContact OD2-CB 3.29Å; D775-L1637 WeakPolarHBondContact OD2-CD2 3.37Å; L1637-S1639 WeakPolarHBondContact CB-OG 3.3Å; L1637-S1639 PolarHBondContact O-N 3.37Å; L1637-G1640 PolarHBondContact O-N 2.87Å; L1637-L1641 HydrophobicContact CB-CB 4.36Å; L1637-L1641 WeakPolarHBondContact CB-O 3.5Å; L1637-L1641 HydrophobicContact CD1-CB 4.12Å; L1637-L1641 PolarHBondContact N-O 3.1Å; L1637-R1643 HydrophobicContact CD1-CB 4.24Å; L1637-R1643 HydrophobicContact CD2-CB 4.09Å; L1637-R1643 HydrophobicContact CG-CB 4.22Å; L1637-V1664 HydrophobicContact CD1-CG1 4.17Å | ||
| 1638 | L | 86.3 | Confident | 91.6 | Very high | 160 Ų | 160 | 22.6 Ų | 22.6 | 84% | 0.838 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -30.1 | 175.9 | -63.1 | 175.8 | 0 | 0 | 0 | 112 | D775 G1640 | D775-L1638 HydrophobicContact CB-CB 4Å; D775-L1638 HydrophobicContact CB-CD1 4.2Å; D775-L1638 HydrophobicContact CB-CG 4.34Å; D775-L1638 VanDerWaalsContact CG-N 3.34Å; D775-L1638 PolarHBondContact OD2-N 3.43Å; L1638-G1640 PolarHBondContact O-N 3.06Å; L1638-G1640 VanDerWaalsContact O-N 3.16Å |
| 1639 | S | 86.4 | Confident | 91.5 | Very high | 27 Ų | 27 | 21.1 Ų | 21.1 | 19% | 0.189 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -9.4 | 169.6 | 46.2 | 0 | 0 | 0 | 0 | 114.7 | D775 H830 Y831 L1637 L1641 | D775-S1639 WeakPolarHBondContact OD1-CB 3.31Å; D775-S1639 PolarHBondContact OD1-N 2.95Å; D775-S1639 PolarHBondContact OD1-OG 3.15Å; H830-S1639 PolarHBondContact NE2-O 3.49Å; Y831-S1639 VanDerWaalsContact OH-CB 3.22Å; Y831-S1639 WeakPolarHBondContact OH-CB 3.1Å; L1637-S1639 WeakPolarHBondContact CB-OG 3.3Å; L1637-S1639 PolarHBondContact O-N 3.37Å; S1639-L1641 VanDerWaalsContact C-N 3.31Å |
| 1640 | G | 87.2 | Confident | 90.4 | Very high | 11 Ų | 11 | 26.6 Ų | 26.6 | 11% | 0.113 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 82.6 | 7.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1637 L1638 R1667 | L1637-G1640 PolarHBondContact O-N 2.87Å; L1638-G1640 PolarHBondContact O-N 3.06Å; L1638-G1640 VanDerWaalsContact O-N 3.16Å; G1640-R1667 VanDerWaalsContact O-CD 3.29Å; G1640-R1667 WeakPolarHBondContact O-CD 3.33Å; G1640-R1667 WeakPolarHBondContact O-CG 3.18Å; G1640-R1667 PolarHBondContact O-NE 2.94Å |
| 1641 | L | 93.2 | Very high | 89.1 | Confident | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | trans | -91.2 | 174.7 | 172.8 | -64.7 | 170.3 | 0 | 0 | 0 | 110.4 | V826 L827 H830 L1637 S1639 V1664 | V826-L1641 HydrophobicContact CB-CD2 4.47Å; V826-L1641 HydrophobicContact CG2-CD1 4.15Å; V826-L1641 HydrophobicContact CG2-CD2 3.82Å; L827-L1641 HydrophobicContact CD2-CD1 3.48Å; L827-L1641 VanDerWaalsContact CD2-CD1 3.48Å; H830-L1641 HydrophobicContact CB-CD2 4.14Å; L1637-L1641 HydrophobicContact CB-CB 4.36Å; L1637-L1641 WeakPolarHBondContact CB-O 3.5Å; L1637-L1641 HydrophobicContact CD1-CB 4.12Å; L1637-L1641 PolarHBondContact N-O 3.1Å; S1639-L1641 VanDerWaalsContact C-N 3.31Å; L1641-V1664 HydrophobicContact CB-CG1 3.78Å; L1641-V1664 HydrophobicContact CD1-CG1 3.95Å; L1641-V1664 HydrophobicContact CG-CG1 4.35Å | ||
| 1642 | L | 94.7 | Very high | 87.4 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.3 | 176.2 | -54 | 175.9 | 0 | 0 | 0 | 110.1 | W1593 V1634 H1635 V1664 L1665 R1667 V1670 | W1593-L1642 HydrophobicContact CH2-CD2 3.72Å; W1593-L1642 HydrophobicContact CZ3-CD2 4.26Å; V1634-L1642 HydrophobicContact CG1-CB 4.08Å; V1634-L1642 HydrophobicContact CG1-CD1 4.14Å; V1634-L1642 HydrophobicContact CG1-CD2 4.48Å; V1634-L1642 HydrophobicContact CG1-CG 4.47Å; H1635-L1642 CarbonylContact O-C 3.58Å; H1635-L1642 WeakPolarHBondContact O-CA 3.44Å; L1642-V1664 CarbonylContact O-C 3.55Å; L1642-V1664 WeakPolarHBondContact O-CA 3.35Å; L1642-L1665 HydrophobicContact CB-CB 4.41Å; L1642-L1665 PolarHBondContact N-O 3.3Å; L1642-L1665 PolarHBondContact O-N 2.94Å; L1642-R1667 HydrophobicContact CD1-CG 4.28Å; L1642-R1667 HydrophobicContact CD2-CG 4.37Å; L1642-R1667 HydrophobicContact CG-CG 4.14Å; L1642-V1670 HydrophobicContact CD1-CB 3.79Å; L1642-V1670 HydrophobicContact CD1-CG1 3.93Å; L1642-V1670 HydrophobicContact CD1-CG2 3.75Å |
| 1643 | R | 94.6 | Very high | 85.7 | Confident | 12 Ų | 12 | 36.1 Ų | 36.1 | 5% | 0.045 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.3 | 171.9 | -174.7 | -178.5 | -174 | -177.5 | 0.5 | 109.4 | D770 R773 Y1597 H1635 L1637 | D770-R1643 IonicContact OD1-CZ 2.88Å; D770-R1643 IonicContact OD1-NH2 3.22Å; D770-R1643 PolarHBondContact OD1-NH2 3.12Å; R773-R1643 HydrophobicContact CB-CG 4.3Å; R773-R1643 WeakPolarHBondContact O-CD 3.44Å; R773-R1643 PolarHBondContact O-NH1 3.33Å; Y1597-R1643 HydrophobicContact CE2-CG 4.06Å; H1635-R1643 PolarHBondContact N-O 2.91Å; H1635-R1643 PolarHBondContact O-N 2.75Å; L1637-R1643 HydrophobicContact CD1-CB 4.24Å; L1637-R1643 HydrophobicContact CD2-CB 4.09Å; L1637-R1643 HydrophobicContact CG-CB 4.22Å |
| 1644 | V | 94.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 137 | 175 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | I1632 F1633 L1646 L1659 G1662 M1663 L1665 | I1632-V1644 HydrophobicContact CG2-CG1 4.24Å; F1633-V1644 WeakPolarHBondContact O-CA 3.38Å; V1644-L1646 HydrophobicContact CG1-CD2 3.64Å; V1644-L1646 HydrophobicContact CG1-CG 4.07Å; V1644-L1659 HydrophobicContact CG1-CD1 4.45Å; V1644-G1662 CarbonylContact O-C 3.57Å; V1644-G1662 WeakPolarHBondContact O-CA 3.33Å; V1644-G1662 PolarHBondContact O-N 3.21Å; V1644-M1663 PolarHBondContact N-O 2.97Å; V1644-L1665 HydrophobicContact CG2-CD1 3.58Å; V1644-L1665 HydrophobicContact CG2-CG 3.85Å |
| 1645 | K | 93.3 | Very high | 82.9 | Confident | 23 Ų | 23 | 40.1 Ų | 40.1 | 10% | 0.1 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132 | 166.3 | 170.4 | 76.7 | -147.1 | 167.4 | 0 | 108.2 | Y1597 Y1600 F1633 D1661 | Y1597-K1645 HydrophobicContact CE2-CB 3.94Å; Y1600-K1645 HydrophobicContact CD1-CG 4.25Å; Y1600-K1645 HydrophobicContact CE1-CD 4.48Å; Y1600-K1645 HydrophobicContact CE1-CG 4.47Å; Y1600-K1645 HydrophobicContact CG-CG 4.33Å; F1633-K1645 HydrophobicContact CB-CB 4.07Å; F1633-K1645 HydrophobicContact CD2-CB 4.45Å; F1633-K1645 HydrophobicContact CD2-CG 4.16Å; F1633-K1645 PolarHBondContact N-O 2.67Å; F1633-K1645 PolarHBondContact O-N 2.79Å; K1645-D1661 WeakPolarHBondContact CA-OD1 3.47Å; K1645-D1661 VanDerWaalsContact CD-OD1 3.24Å; K1645-D1661 WeakPolarHBondContact CD-OD1 3.31Å; K1645-D1661 VanDerWaalsContact CE-OD1 3.27Å; K1645-D1661 WeakPolarHBondContact CE-OD1 3.38Å; K1645-D1661 VanDerWaalsContact NZ-CG 3.28Å; K1645-D1661 IonicContact NZ-OD1 3.94Å; K1645-D1661 PolarHBondContact NZ-OD1 3.34Å; K1645-D1661 VanDerWaalsContact NZ-OD1 3.14Å; K1645-D1661 IonicContact NZ-OD2 3.9Å; K1645-D1661 PolarHBondContact NZ-OD2 2.94Å |
| 1646 | L | 92.6 | Very high | 82.6 | Confident | 12 Ų | 12 | 39.4 Ų | 39.4 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.2 | -178.7 | -59.4 | -176.2 | 0 | 0 | 0 | 110.7 | I1632 V1644 F1655 L1659 D1661 | I1632-L1646 HydrophobicContact CB-CD2 4.24Å; I1632-L1646 HydrophobicContact CG1-CD2 4.01Å; I1632-L1646 HydrophobicContact CG2-CD2 3.97Å; V1644-L1646 HydrophobicContact CG1-CD2 3.64Å; V1644-L1646 HydrophobicContact CG1-CG 4.07Å; L1646-F1655 HydrophobicContact CB-CD1 4.05Å; L1646-F1655 HydrophobicContact CB-CE1 3.68Å; L1646-F1655 HydrophobicContact CB-CZ 4.31Å; L1646-F1655 HydrophobicContact CD1-CD1 4.16Å; L1646-L1659 HydrophobicContact CD1-CB 4.2Å; L1646-L1659 HydrophobicContact CD2-CB 4.44Å; L1646-D1661 HydrophobicContact CB-CB 4.19Å; L1646-D1661 HydrophobicContact CG-CB 4.49Å; L1646-D1661 PolarHBondContact N-OD1 3.45Å |
| 1647 | Q | 90.3 | Very high | 82.3 | Confident | 86 Ų | 86 | 38.5 Ų | 38.5 | 40% | 0.402 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 148.4 | 172.9 | -171.9 | -178.4 | 13.1 | 0 | 0 | 109 | V1631 F1633 | V1631-Q1647 HydrophobicContact CB-CB 4.21Å; V1631-Q1647 PolarHBondContact N-O 2.87Å; V1631-Q1647 PolarHBondContact O-N 3.15Å; F1633-Q1647 HydrophobicContact CE2-CB 4.05Å |
| 1648 | G | 85.2 | Confident | 82.4 | Confident | 23 Ų | 23 | 38.2 Ų | 38.2 | 24% | 0.237 | 22% | 0.216 | C | C | . | . | trans | -179.9 | 172 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | C1629 | C1629-G1648 WeakPolarHBondContact O-CA 3.47Š| ||
| 1649 | P | 80.7 | Confident | 82.8 | Confident | 22 Ų | 22 | 30.6 Ų | 30.6 | 14% | 0.143 | 18% | 0.176 | C | C | . | . | trans | -55.7 | 138.4 | -179.6 | 16 | -29.4 | 0 | 0 | 0 | 112.8 | S1627 C1629 G1651 S1654 | S1627-P1649 WeakPolarHBondContact O-CA 3.29Å; S1627-P1649 WeakPolarHBondContact O-CB 3.38Å; C1629-P1649 WeakPolarHBondContact O-CD 3.35Å; P1649-G1651 PolarHBondContact O-N 2.97Å; P1649-S1654 WeakPolarHBondContact O-CB 3.47Å; P1649-S1654 PolarHBondContact O-OG 3.18Å | ||
| 1650 | P | 66.7 | Low | 83.1 | Confident | 118 Ų | 118 | 29.8 Ų | 29.8 | 77% | 0.766 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -70.3 | 102.8 | 172 | 28.6 | -33.2 | 0 | 0 | 0 | 110 | ||
| 1651 | G | 64.6 | Low | 83.2 | Confident | 50 Ų | 50 | 31.4 Ų | 31.4 | 52% | 0.515 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -170.7 | 166.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1649 M1653 S1654 | P1649-G1651 PolarHBondContact O-N 2.97Å; G1651-M1653 VanDerWaalsContact C-N 3.29Å; G1651-M1653 PolarHBondContact O-N 3.41Å; G1651-S1654 PolarHBondContact O-OG 2.66Å |
| 1652 | R | 59 | Low | 82.9 | Confident | 136 Ų | 136 | 31.2 Ų | 31.2 | 51% | 0.513 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -33 | -173.2 | -69.5 | -174.1 | -177.9 | 163.5 | 7.4 | 114.1 | N617 N1011 | N617-R1652 PolarHBondContact O-NH2 3.17Å; N1011-R1652 PolarHBondContact ND2-O 3.15Å; N1011-R1652 PolarHBondContact OD1-O 2.93Å |
| 1653 | M | 60.7 | Low | 82.8 | Confident | 28 Ų | 28 | 31.1 Ų | 31.1 | 14% | 0.138 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 11.3 | -166.7 | -65.1 | 169.8 | 66 | 0 | 0 | 113.4 | L1010 L1014 G1651 F1655 R1684 L1687 D1688 | L1010-M1653 HydrophobicContact CD2-CG 4.35Å; L1010-M1653 HydrophobicContact CD2-SD 4.06Å; L1014-M1653 HydrophobicContact CD1-CE 4.09Å; G1651-M1653 VanDerWaalsContact C-N 3.29Å; G1651-M1653 PolarHBondContact O-N 3.41Å; M1653-F1655 PolarHBondContact O-N 2.68Å; M1653-R1684 HydrophobicContact CE-CB 4.32Å; M1653-R1684 WeakPolarHBondContact CE-O 3.38Å; M1653-R1684 VanDerWaalsContact O-CD 3.24Å; M1653-R1684 WeakPolarHBondContact O-CD 3.36Å; M1653-L1687 HydrophobicContact CE-CB 4.23Å; M1653-D1688 HydrophobicContact CE-CB 4Å; M1653-D1688 HydrophobicContact SD-CB 4Å |
| 1654 | S | 63.8 | Low | 82.8 | Confident | 16 Ų | 16 | 30.6 Ų | 30.6 | 11% | 0.112 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -77.8 | -20.4 | -162.2 | 56.4 | 0 | 0 | 0 | 0 | 117 | H1630 P1649 G1651 | H1630-S1654 PolarHBondContact CE1-O 3.03Å; H1630-S1654 PolarHBondContact ND1-O 3.45Å; P1649-S1654 WeakPolarHBondContact O-CB 3.47Å; P1649-S1654 PolarHBondContact O-OG 3.18Å; G1651-S1654 PolarHBondContact O-OG 2.66Å |
| 1655 | F | 69.9 | Low | 82.8 | Confident | 71 Ų | 71 | 30.6 Ų | 30.6 | 31% | 0.311 | 17% | 0.173 | S | C | . | . | trans | -120.1 | 135.1 | 174.6 | -63.9 | -65.4 | 0 | 0 | 0 | 110.8 | H875 L1646 M1653 R1684 | H875-F1655 PolarHBondContact NE2-O 3.27Å; L1646-F1655 HydrophobicContact CB-CD1 4.05Å; L1646-F1655 HydrophobicContact CB-CE1 3.68Å; L1646-F1655 HydrophobicContact CB-CZ 4.31Å; L1646-F1655 HydrophobicContact CD1-CD1 4.16Å; M1653-F1655 PolarHBondContact O-N 2.68Å; F1655-R1684 VanDerWaalsContact O-CZ 3.3Å; F1655-R1684 PolarHBondContact O-NH1 2.96Å | ||
| 1656 | A | 86.7 | Confident | 82.7 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | trans | -127.2 | 145.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1677 N1680 I1681 | A1656-T1677 PolarHBondContact O-OG1 2.57Å; A1656-T1677 VanDerWaalsContact O-OG1 3.07Å; A1656-N1680 HydrophobicContact CB-CB 3.67Å; A1656-I1681 HydrophobicContact CB-CG1 4.15Å | ||
| 1657 | T | 87.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -69 | 159.3 | -178.6 | 52.5 | 0 | 0 | 0 | 0 | 110.9 | L878 A1015 E1018 T1677 N1680 | L878-T1657 HydrophobicContact CB-CG2 4.42Å; A1015-T1657 HydrophobicContact CB-CG2 4.06Å; A1015-T1657 PolarHBondContact O-OG1 3.43Å; E1018-T1657 WeakPolarHBondContact CB-OG1 3.49Å; E1018-T1657 PolarHBondContact OE2-N 3.37Å; E1018-T1657 PolarHBondContact OE2-OG1 3.14Å; T1657-T1677 PolarHBondContact O-OG1 2.91Å; T1657-N1680 PolarHBondContact O-ND2 3.04Å |
| 1658 | P | 92.5 | Very high | 82.6 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | cis | -73.9 | -31.8 | 5.3 | 26.9 | -35.4 | 0 | 0 | 0 | 117 | G879 L882 L1673 Q1676 T1677 | G879-P1658 WeakPolarHBondContact CA-O 3Å; L882-P1658 HydrophobicContact CB-CB 4.3Å; L882-P1658 HydrophobicContact CD2-CB 3.9Å; L882-P1658 HydrophobicContact CD2-CG 4.32Å; L882-P1658 HydrophobicContact CG-CB 4.13Å; P1658-L1673 HydrophobicContact CB-CD2 3.69Å; P1658-L1673 HydrophobicContact CG-CB 3.82Å; P1658-L1673 HydrophobicContact CG-CD2 3.55Å; P1658-L1673 HydrophobicContact CG-CG 4.26Å; P1658-L1673 WeakPolarHBondContact CG-O 3.34Å; P1658-Q1676 HydrophobicContact CG-CB 3.99Å; P1658-T1677 WeakPolarHBondContact CD-OG1 3.42Å |
| 1659 | L | 94.6 | Very high | 83 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | trans | -66.7 | 140.6 | -169.4 | -61.7 | -177.7 | 0 | 0 | 0 | 112.8 | I1632 V1644 L1646 M1663 L1665 L1673 V1674 T1677 | I1632-L1659 HydrophobicContact CD1-CD1 4.36Å; I1632-L1659 HydrophobicContact CG2-CD1 3.87Å; V1644-L1659 HydrophobicContact CG1-CD1 4.45Å; L1646-L1659 HydrophobicContact CD1-CB 4.2Å; L1646-L1659 HydrophobicContact CD2-CB 4.44Å; L1659-M1663 HydrophobicContact CD2-CE 3.91Å; L1659-L1665 HydrophobicContact CD2-CD1 3.88Å; L1659-L1665 HydrophobicContact CD2-CD2 4.16Å; L1659-L1673 HydrophobicContact CD2-CB 3.8Å; L1659-L1673 HydrophobicContact CG-CB 4.45Å; L1659-V1674 HydrophobicContact CD1-CG2 3.96Å; L1659-T1677 HydrophobicContact CB-CG2 4.15Å; L1659-T1677 WeakPolarHBondContact CB-OG1 3.28Å; L1659-T1677 HydrophobicContact CD1-CG2 4.24Å; L1659-T1677 HydrophobicContact CG-CG2 4.38Å; L1659-T1677 PolarHBondContact N-OG1 3.13Å | ||
| 1660 | V | 91.6 | Very high | 83.6 | Confident | 9 Ų | 9 | 29.8 Ų | 29.8 | 6% | 0.055 | 16% | 0.155 | C | C | . | . | trans | -125.6 | 146.4 | 177.8 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | L822 M876 G1662 M1663 | L822-V1660 HydrophobicContact CD1-CB 4.03Å; L822-V1660 HydrophobicContact CD1-CG1 3.71Å; L822-V1660 HydrophobicContact CD1-CG2 4.22Å; M876-V1660 HydrophobicContact CB-CG1 4.09Å; M876-V1660 HydrophobicContact CB-CG2 4.5Å; M876-V1660 HydrophobicContact CE-CG1 4.02Å; M876-V1660 HydrophobicContact CG-CG1 3.68Å; V1660-G1662 PolarHBondContact O-N 2.86Å; V1660-M1663 HydrophobicContact CB-CB 4.19Å; V1660-M1663 HydrophobicContact CB-SD 4.08Å; V1660-M1663 HydrophobicContact CG2-SD 4.19Å; V1660-M1663 VanDerWaalsContact O-CB 3.23Å; V1660-M1663 WeakPolarHBondContact O-CB 3.46Å; V1660-M1663 PolarHBondContact O-N 2.67Å; V1660-M1663 VanDerWaalsContact O-N 3.09Å | ||
| 1661 | D | 89.6 | Confident | 84.8 | Confident | 45 Ų | 45 | 24.2 Ų | 24.2 | 24% | 0.241 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 129.7 | 177.8 | -171.3 | 42.3 | 0 | 0 | 0 | 111.3 | K1645 L1646 M1663 | K1645-D1661 WeakPolarHBondContact CA-OD1 3.47Å; K1645-D1661 VanDerWaalsContact CD-OD1 3.24Å; K1645-D1661 WeakPolarHBondContact CD-OD1 3.31Å; K1645-D1661 VanDerWaalsContact CE-OD1 3.27Å; K1645-D1661 WeakPolarHBondContact CE-OD1 3.38Å; K1645-D1661 VanDerWaalsContact NZ-CG 3.28Å; K1645-D1661 IonicContact NZ-OD1 3.94Å; K1645-D1661 PolarHBondContact NZ-OD1 3.34Å; K1645-D1661 VanDerWaalsContact NZ-OD1 3.14Å; K1645-D1661 IonicContact NZ-OD2 3.9Å; K1645-D1661 PolarHBondContact NZ-OD2 2.94Å; L1646-D1661 HydrophobicContact CB-CB 4.19Å; L1646-D1661 HydrophobicContact CG-CB 4.49Å; L1646-D1661 PolarHBondContact N-OD1 3.45Å; D1661-M1663 VanDerWaalsContact C-N 3.29Å; D1661-M1663 PolarHBondContact O-N 3.3Å |
| 1662 | G | 87.4 | Confident | 86.2 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 0.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | R773 V1644 V1660 | R773-G1662 WeakPolarHBondContact CD-O 3.36Å; R773-G1662 PolarHBondContact NE-O 2.81Å; R773-G1662 PolarHBondContact NH2-O 2.8Å; V1644-G1662 CarbonylContact O-C 3.57Å; V1644-G1662 WeakPolarHBondContact O-CA 3.33Å; V1644-G1662 PolarHBondContact O-N 3.21Å; V1660-G1662 PolarHBondContact O-N 2.86Å |
| 1663 | M | 91.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -63.2 | 143.4 | -178.8 | -164.4 | 158.5 | 82.8 | 0 | 0 | 112 | L822 L883 V1644 L1659 V1660 D1661 L1665 | L822-M1663 HydrophobicContact CB-CG 4.33Å; L822-M1663 HydrophobicContact CD2-SD 4.22Å; L883-M1663 HydrophobicContact CB-CE 4.15Å; L883-M1663 HydrophobicContact CB-SD 4.43Å; L883-M1663 HydrophobicContact CD2-CE 3.98Å; L883-M1663 HydrophobicContact CD2-CG 3.88Å; L883-M1663 HydrophobicContact CD2-SD 3.7Å; V1644-M1663 PolarHBondContact N-O 2.97Å; L1659-M1663 HydrophobicContact CD2-CE 3.91Å; V1660-M1663 HydrophobicContact CB-CB 4.19Å; V1660-M1663 HydrophobicContact CB-SD 4.08Å; V1660-M1663 HydrophobicContact CG2-SD 4.19Å; V1660-M1663 VanDerWaalsContact O-CB 3.23Å; V1660-M1663 WeakPolarHBondContact O-CB 3.46Å; V1660-M1663 PolarHBondContact O-N 2.67Å; V1660-M1663 VanDerWaalsContact O-N 3.09Å; D1661-M1663 VanDerWaalsContact C-N 3.29Å; D1661-M1663 PolarHBondContact O-N 3.3Å; M1663-L1665 HydrophobicContact CE-CD2 3.61Å; M1663-L1665 HydrophobicContact CG-CD2 4.17Å | ||
| 1664 | V | 94.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.006 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 130.4 | 177.4 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | R773 V826 L1637 L1641 L1642 | R773-V1664 HydrophobicContact CB-CG2 4.29Å; R773-V1664 HydrophobicContact CG-CG2 3.82Å; V826-V1664 WeakPolarHBondContact CG1-O 3.43Å; V826-V1664 HydrophobicContact CG2-CB 4.48Å; V826-V1664 HydrophobicContact CG2-CG1 4.08Å; L1637-V1664 HydrophobicContact CD1-CG1 4.17Å; L1641-V1664 HydrophobicContact CB-CG1 3.78Å; L1641-V1664 HydrophobicContact CD1-CG1 3.95Å; L1641-V1664 HydrophobicContact CG-CG1 4.35Å; L1642-V1664 CarbonylContact O-C 3.55Å; L1642-V1664 WeakPolarHBondContact O-CA 3.35Å |
| 1665 | L | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 149.3 | -173.7 | -51.4 | -176.5 | 0 | 0 | 0 | 112.2 | L883 L1642 V1644 L1659 M1663 V1670 L1673 | L883-L1665 HydrophobicContact CD1-CD2 3.97Å; L883-L1665 HydrophobicContact CD2-CD2 4.39Å; L1642-L1665 HydrophobicContact CB-CB 4.41Å; L1642-L1665 PolarHBondContact N-O 3.3Å; L1642-L1665 PolarHBondContact O-N 2.94Å; V1644-L1665 HydrophobicContact CG2-CD1 3.58Å; V1644-L1665 HydrophobicContact CG2-CG 3.85Å; L1659-L1665 HydrophobicContact CD2-CD1 3.88Å; L1659-L1665 HydrophobicContact CD2-CD2 4.16Å; M1663-L1665 HydrophobicContact CE-CD2 3.61Å; M1663-L1665 HydrophobicContact CG-CD2 4.17Å; L1665-V1670 HydrophobicContact CD1-CB 4.32Å; L1665-V1670 HydrophobicContact CD1-CG2 3.99Å; L1665-L1673 HydrophobicContact CD1-CD1 4.5Å; L1665-L1673 HydrophobicContact CD2-CD1 3.84Å |
| 1666 | S | 92.3 | Very high | 92.2 | Very high | 5 Ų | 5 | 14.4 Ų | 14.4 | 4% | 0.035 | 7% | 0.065 | C | C | . | . | trans | -76.9 | 146 | 159.3 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | D887 R1668 V1669 | D887-S1666 VanDerWaalsContact OD1-CB 3.25Å; D887-S1666 WeakPolarHBondContact OD1-CB 3.47Å; S1666-R1668 PolarHBondContact O-N 3.29Å; S1666-R1668 PolarHBondContact OG-NE 3.18Å; S1666-V1669 VanDerWaalsContact O-CG2 3.25Å; S1666-V1669 WeakPolarHBondContact O-CG2 3.45Å; S1666-V1669 PolarHBondContact O-N 3.43Å | ||
| 1667 | R | 89.8 | Confident | 92.6 | Very high | 78 Ų | 78 | 14.4 Ų | 14.4 | 29% | 0.294 | 7% | 0.065 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29.8 | 179.8 | -70.4 | 174.7 | 175.6 | 168.1 | -2.6 | 113.3 | H1436 S1636 G1640 L1642 V1669 V1670 | H1436-R1667 PolarHBondContact CD2-NH2 3.13Å; H1436-R1667 PolarHBondContact CE1-NH1 3.31Å; H1436-R1667 PolarHBondContact ND1-NH1 2.9Å; H1436-R1667 PolarHBondContact NE2-NH1 3.22Å; H1436-R1667 PolarHBondContact NE2-NH2 2.93Å; H1436-R1667 VanDerWaalsContact NE2-NH2 3.11Å; S1636-R1667 PolarHBondContact OG-NH2 3.37Å; G1640-R1667 VanDerWaalsContact O-CD 3.29Å; G1640-R1667 WeakPolarHBondContact O-CD 3.33Å; G1640-R1667 WeakPolarHBondContact O-CG 3.18Å; G1640-R1667 PolarHBondContact O-NE 2.94Å; L1642-R1667 HydrophobicContact CD1-CG 4.28Å; L1642-R1667 HydrophobicContact CD2-CG 4.37Å; L1642-R1667 HydrophobicContact CG-CG 4.14Å; R1667-V1669 VanDerWaalsContact C-N 3.29Å; R1667-V1669 PolarHBondContact O-N 2.58Å; R1667-V1670 WeakPolarHBondContact O-CG1 2.98Å |
| 1668 | R | 90 | Very high | 93 | Very high | 63 Ų | 63 | 14.4 Ų | 14.4 | 24% | 0.238 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -18 | -178.8 | 71.5 | -161 | 158.6 | -140 | -11.6 | 114.4 | L829 D887 T890 S1666 | L829-R1668 PolarHBondContact O-NH1 2.83Å; L829-R1668 PolarHBondContact O-NH2 3.02Å; D887-R1668 VanDerWaalsContact CG-NH2 3.27Å; D887-R1668 IonicContact OD1-CZ 2.69Å; D887-R1668 IonicContact OD1-NE 3.18Å; D887-R1668 PolarHBondContact OD1-NE 3.14Å; D887-R1668 IonicContact OD1-NH2 2.79Å; D887-R1668 PolarHBondContact OD1-NH2 3.13Å; D887-R1668 VanDerWaalsContact OD1-NH2 3.08Å; D887-R1668 IonicContact OD2-CZ 2.7Å; D887-R1668 IonicContact OD2-NE 2.73Å; D887-R1668 IonicContact OD2-NH2 2.77Å; D887-R1668 PolarHBondContact OD2-NH2 3.37Å; T890-R1668 HydrophobicContact CG2-CB 4.04Å; T890-R1668 HydrophobicContact CG2-CG 3.99Å; S1666-R1668 PolarHBondContact O-N 3.29Å; S1666-R1668 PolarHBondContact OG-NE 3.18Å |
| 1669 | V | 93.4 | Very high | 93 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -12.3 | -177.5 | -62.7 | 0 | 0 | 0 | 0 | 114.6 | L883 Q886 D887 S1666 R1667 G1671 N1672 L1673 | L883-V1669 HydrophobicContact CD1-CG2 4.06Å; Q886-V1669 HydrophobicContact CG-CB 4.1Å; Q886-V1669 HydrophobicContact CG-CG1 3.77Å; D887-V1669 HydrophobicContact CB-CG1 3.92Å; D887-V1669 WeakPolarHBondContact OD1-CG1 3.37Å; S1666-V1669 VanDerWaalsContact O-CG2 3.25Å; S1666-V1669 WeakPolarHBondContact O-CG2 3.45Å; S1666-V1669 PolarHBondContact O-N 3.43Å; R1667-V1669 VanDerWaalsContact C-N 3.29Å; R1667-V1669 PolarHBondContact O-N 2.58Å; V1669-G1671 PolarHBondContact O-N 2.86Å; V1669-N1672 PolarHBondContact O-N 3.21Å; V1669-L1673 HydrophobicContact CB-CD1 3.9Å; V1669-L1673 HydrophobicContact CB-CG 4.2Å; V1669-L1673 HydrophobicContact CG2-CD1 3.59Å; V1669-L1673 HydrophobicContact CG2-CG 4.42Å; V1669-L1673 WeakPolarHBondContact O-CG 3.38Å; V1669-L1673 PolarHBondContact O-N 2.84Å |
| 1670 | V | 93.9 | Very high | 93 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.012 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -55.6 | -48.6 | -169.2 | 65.7 | 0 | 0 | 0 | 0 | 113.2 | M1440 L1642 L1665 R1667 N1672 L1673 V1674 | M1440-V1670 HydrophobicContact CB-CG1 4.36Å; M1440-V1670 HydrophobicContact CG-CG1 3.81Å; M1440-V1670 HydrophobicContact CG-CG2 4.25Å; L1642-V1670 HydrophobicContact CD1-CB 3.79Å; L1642-V1670 HydrophobicContact CD1-CG1 3.93Å; L1642-V1670 HydrophobicContact CD1-CG2 3.75Å; L1665-V1670 HydrophobicContact CD1-CB 4.32Å; L1665-V1670 HydrophobicContact CD1-CG2 3.99Å; R1667-V1670 WeakPolarHBondContact O-CG1 2.98Å; V1670-N1672 PolarHBondContact O-N 2.96Å; V1670-L1673 PolarHBondContact O-N 3.39Å; V1670-V1674 HydrophobicContact CG2-CG2 3.96Å; V1670-V1674 WeakPolarHBondContact O-CB 3.44Å; V1670-V1674 VanDerWaalsContact O-CG2 3.25Å; V1670-V1674 WeakPolarHBondContact O-CG2 3.45Å; V1670-V1674 PolarHBondContact O-N 2.79Å |
| 1671 | G | 92.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.01 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.7 | -39.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1443 V1669 R1675 | T1443-G1671 WeakPolarHBondContact O-CA 3.26Å; T1443-G1671 VanDerWaalsContact OG1-CA 3.25Å; T1443-G1671 WeakPolarHBondContact OG1-CA 3.44Å; T1443-G1671 PolarHBondContact OG1-N 2.98Å; V1669-G1671 PolarHBondContact O-N 2.86Å; G1671-R1675 WeakPolarHBondContact O-CB 3.45Å; G1671-R1675 PolarHBondContact O-N 3.34Å; G1671-R1675 PolarHBondContact O-NH1 3.2Å |
| 1672 | N | 92.8 | Very high | 93.2 | Very high | 43 Ų | 43 | 12.9 Ų | 12.9 | 23% | 0.23 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.3 | -47.6 | 175.6 | -72.5 | -8.9 | 0 | 0 | 0 | 111.3 | Q886 V1669 V1670 R1675 Q1676 | Q886-N1672 PolarHBondContact NE2-ND2 2.73Å; V1669-N1672 PolarHBondContact O-N 3.21Å; V1670-N1672 PolarHBondContact O-N 2.96Å; N1672-R1675 PolarHBondContact O-N 3.1Å; N1672-R1675 PolarHBondContact OD1-NH2 3.14Å; N1672-Q1676 WeakPolarHBondContact O-CB 3.44Å; N1672-Q1676 WeakPolarHBondContact O-CG 3.42Å; N1672-Q1676 PolarHBondContact O-N 3.22Å |
| 1673 | L | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -71.8 | -40.8 | -176.4 | -59.2 | 175.1 | 0 | 0 | 0 | 112.1 | L883 Q886 P1658 L1659 L1665 V1669 V1670 Q1676 T1677 | L883-L1673 HydrophobicContact CD1-CD1 3.63Å; Q886-L1673 HydrophobicContact CB-CD2 4.29Å; Q886-L1673 HydrophobicContact CG-CD2 4.05Å; P1658-L1673 HydrophobicContact CB-CD2 3.69Å; P1658-L1673 HydrophobicContact CG-CB 3.82Å; P1658-L1673 HydrophobicContact CG-CD2 3.55Å; P1658-L1673 HydrophobicContact CG-CG 4.26Å; P1658-L1673 WeakPolarHBondContact CG-O 3.34Å; L1659-L1673 HydrophobicContact CD2-CB 3.8Å; L1659-L1673 HydrophobicContact CG-CB 4.45Å; L1665-L1673 HydrophobicContact CD1-CD1 4.5Å; L1665-L1673 HydrophobicContact CD2-CD1 3.84Å; V1669-L1673 HydrophobicContact CB-CD1 3.9Å; V1669-L1673 HydrophobicContact CB-CG 4.2Å; V1669-L1673 HydrophobicContact CG2-CD1 3.59Å; V1669-L1673 HydrophobicContact CG2-CG 4.42Å; V1669-L1673 WeakPolarHBondContact O-CG 3.38Å; V1669-L1673 PolarHBondContact O-N 2.84Å; V1670-L1673 PolarHBondContact O-N 3.39Å; L1673-Q1676 PolarHBondContact O-N 2.89Å; L1673-T1677 PolarHBondContact O-N 2.96Å |
| 1674 | V | 95.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.006 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.7 | -47.3 | 173.2 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | L1444 L1591 I1632 L1659 V1670 T1677 A1678 | L1444-V1674 HydrophobicContact CD2-CB 4.23Å; L1444-V1674 HydrophobicContact CD2-CG1 3.86Å; L1591-V1674 HydrophobicContact CD1-CG1 3.85Å; L1591-V1674 HydrophobicContact CD1-CG2 4.24Å; L1591-V1674 HydrophobicContact CD2-CG1 3.95Å; L1591-V1674 HydrophobicContact CG-CG1 4.48Å; I1632-V1674 HydrophobicContact CD1-CG1 4.47Å; L1659-V1674 HydrophobicContact CD1-CG2 3.96Å; V1670-V1674 HydrophobicContact CG2-CG2 3.96Å; V1670-V1674 WeakPolarHBondContact O-CB 3.44Å; V1670-V1674 VanDerWaalsContact O-CG2 3.25Å; V1670-V1674 WeakPolarHBondContact O-CG2 3.45Å; V1670-V1674 PolarHBondContact O-N 2.79Å; V1674-T1677 PolarHBondContact O-N 2.67Å; V1674-A1678 WeakPolarHBondContact O-CB 3.38Å; V1674-A1678 PolarHBondContact O-N 3.45Å |
| 1675 | R | 95 | Very high | 93 | Very high | 30 Ų | 30 | 16.8 Ų | 16.8 | 11% | 0.113 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 178.3 | -177.6 | 166.7 | 65.7 | -99.7 | -6.7 | 112.3 | T1443 L1444 W1492 I1499 F1501 G1671 N1672 A1678 L1679 | T1443-R1675 PolarHBondContact O-NH1 2.84Å; L1444-R1675 WeakPolarHBondContact O-CD 3.26Å; L1444-R1675 PolarHBondContact O-NH1 3.12Å; W1492-R1675 HydrophobicContact CD2-CG 4.48Å; W1492-R1675 HydrophobicContact CE3-CG 4.49Å; W1492-R1675 VanDerWaalsContact CG-CD 3.43Å; I1499-R1675 HydrophobicContact CG2-CG 4.46Å; F1501-R1675 HydrophobicContact CE2-CG 4.36Å; F1501-R1675 HydrophobicContact CZ-CB 3.99Å; F1501-R1675 HydrophobicContact CZ-CG 4.04Å; G1671-R1675 WeakPolarHBondContact O-CB 3.45Å; G1671-R1675 PolarHBondContact O-N 3.34Å; G1671-R1675 PolarHBondContact O-NH1 3.2Å; N1672-R1675 PolarHBondContact O-N 3.1Å; N1672-R1675 PolarHBondContact OD1-NH2 3.14Å; R1675-A1678 PolarHBondContact O-N 3.4Å; R1675-L1679 HydrophobicContact CG-CD1 4.08Å; R1675-L1679 WeakPolarHBondContact O-CB 3.2Å; R1675-L1679 WeakPolarHBondContact O-CD1 3.03Å; R1675-L1679 VanDerWaalsContact O-CG 3.28Å; R1675-L1679 WeakPolarHBondContact O-CG 3.28Å; R1675-L1679 PolarHBondContact O-N 3.02Å |
| 1676 | Q | 94.3 | Very high | 92.8 | Very high | 22 Ų | 22 | 18.3 Ų | 18.3 | 10% | 0.103 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.2 | -47.5 | 175.5 | -73.8 | 169.9 | 14.7 | 0 | 0 | 111.7 | P1658 N1672 L1673 A1678 L1679 N1680 | P1658-Q1676 HydrophobicContact CG-CB 3.99Å; N1672-Q1676 WeakPolarHBondContact O-CB 3.44Å; N1672-Q1676 WeakPolarHBondContact O-CG 3.42Å; N1672-Q1676 PolarHBondContact O-N 3.22Å; L1673-Q1676 PolarHBondContact O-N 2.89Å; Q1676-A1678 PolarHBondContact O-N 2.87Å; Q1676-L1679 PolarHBondContact O-N 2.79Å; Q1676-N1680 WeakPolarHBondContact O-CB 3.27Å; Q1676-N1680 PolarHBondContact O-N 3.48Å; Q1676-N1680 PolarHBondContact O-ND2 3.38Å |
| 1677 | T | 95.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.006 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 177.1 | -82.9 | 0 | 0 | 0 | 0 | 111.7 | I1632 A1656 T1657 P1658 L1659 L1673 V1674 N1680 I1681 | I1632-T1677 HydrophobicContact CD1-CG2 4.06Å; A1656-T1677 PolarHBondContact O-OG1 2.57Å; A1656-T1677 VanDerWaalsContact O-OG1 3.07Å; T1657-T1677 PolarHBondContact O-OG1 2.91Å; P1658-T1677 WeakPolarHBondContact CD-OG1 3.42Å; L1659-T1677 HydrophobicContact CB-CG2 4.15Å; L1659-T1677 WeakPolarHBondContact CB-OG1 3.28Å; L1659-T1677 HydrophobicContact CD1-CG2 4.24Å; L1659-T1677 HydrophobicContact CG-CG2 4.38Å; L1659-T1677 PolarHBondContact N-OG1 3.13Å; L1673-T1677 PolarHBondContact O-N 2.96Å; V1674-T1677 PolarHBondContact O-N 2.67Å; T1677-N1680 PolarHBondContact O-N 3.15Å; T1677-I1681 HydrophobicContact CG2-CD1 3.61Å; T1677-I1681 HydrophobicContact CG2-CG1 4.21Å; T1677-I1681 WeakPolarHBondContact O-CB 3.48Å; T1677-I1681 VanDerWaalsContact O-CG1 3.29Å; T1677-I1681 WeakPolarHBondContact O-CG1 3.39Å; T1677-I1681 PolarHBondContact O-N 2.94Å |
| 1678 | A | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.4 | -48.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | V1406 I1499 I1589 V1674 R1675 Q1676 N1680 I1681 S1682 | V1406-A1678 HydrophobicContact CG2-CB 3.78Å; I1499-A1678 HydrophobicContact CD1-CB 3.95Å; I1589-A1678 HydrophobicContact CD1-CB 4.08Å; I1589-A1678 VanDerWaalsContact CD1-O 3.31Å; I1589-A1678 WeakPolarHBondContact CD1-O 3.48Å; I1589-A1678 HydrophobicContact CG2-CB 4.37Å; V1674-A1678 WeakPolarHBondContact O-CB 3.38Å; V1674-A1678 PolarHBondContact O-N 3.45Å; R1675-A1678 PolarHBondContact O-N 3.4Å; Q1676-A1678 PolarHBondContact O-N 2.87Å; A1678-N1680 VanDerWaalsContact C-N 3.31Å; A1678-N1680 PolarHBondContact O-N 2.71Å; A1678-I1681 PolarHBondContact O-N 3Å; A1678-S1682 WeakPolarHBondContact O-CB 3.29Å; A1678-S1682 PolarHBondContact O-N 2.81Å |
| 1679 | L | 93.8 | Very high | 92.2 | Very high | 6 Ų | 6 | 15.6 Ų | 15.6 | 3% | 0.031 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59 | -40.9 | 174.6 | -70.6 | 165.6 | 0 | 0 | 0 | 112 | W1492 I1499 R1675 Q1676 S1682 R1683 | W1492-L1679 HydrophobicContact CE3-CD1 4.15Å; W1492-L1679 HydrophobicContact CH2-CD1 3.94Å; W1492-L1679 HydrophobicContact CZ3-CD1 3.51Å; W1492-L1679 HydrophobicContact CZ3-CD2 4.18Å; W1492-L1679 HydrophobicContact CZ3-CG 4.48Å; I1499-L1679 HydrophobicContact CB-CD2 4.38Å; I1499-L1679 HydrophobicContact CD1-CD2 4.18Å; I1499-L1679 HydrophobicContact CD1-CG 4.25Å; R1675-L1679 HydrophobicContact CG-CD1 4.08Å; R1675-L1679 WeakPolarHBondContact O-CB 3.2Å; R1675-L1679 WeakPolarHBondContact O-CD1 3.03Å; R1675-L1679 VanDerWaalsContact O-CG 3.28Å; R1675-L1679 WeakPolarHBondContact O-CG 3.28Å; R1675-L1679 PolarHBondContact O-N 3.02Å; Q1676-L1679 PolarHBondContact O-N 2.79Å; L1679-S1682 PolarHBondContact O-N 2.88Å; L1679-R1683 WeakPolarHBondContact O-CB 3.49Å; L1679-R1683 VanDerWaalsContact O-CG 3.25Å; L1679-R1683 WeakPolarHBondContact O-CG 3.47Å; L1679-R1683 PolarHBondContact O-N 3.35Å |
| 1680 | N | 94.2 | Very high | 91.5 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 4% | 0.043 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -74 | -37.7 | -178.2 | -67.6 | -19.8 | 0 | 0 | 0 | 112.6 | E1018 A1656 T1657 Q1676 T1677 A1678 S1682 R1683 R1684 | E1018-N1680 HydrophobicContact CG-CB 4.06Å; A1656-N1680 HydrophobicContact CB-CB 3.67Å; T1657-N1680 PolarHBondContact O-ND2 3.04Å; Q1676-N1680 WeakPolarHBondContact O-CB 3.27Å; Q1676-N1680 PolarHBondContact O-N 3.48Å; Q1676-N1680 PolarHBondContact O-ND2 3.38Å; T1677-N1680 PolarHBondContact O-N 3.15Å; A1678-N1680 VanDerWaalsContact C-N 3.31Å; A1678-N1680 PolarHBondContact O-N 2.71Å; N1680-S1682 PolarHBondContact O-N 3.08Å; N1680-R1683 PolarHBondContact O-N 2.9Å; N1680-R1684 WeakPolarHBondContact O-CG 3.08Å; N1680-R1684 PolarHBondContact O-N 3.01Å |
| 1681 | I | 92.7 | Very high | 91 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 3% | 0.031 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.7 | -50.4 | 169.2 | -74.2 | 168 | 0 | 0 | 0 | 110 | A1587 I1589 H1630 A1656 T1677 A1678 R1683 R1684 R1685 | A1587-I1681 HydrophobicContact CB-CG2 4.23Å; I1589-I1681 HydrophobicContact CD1-CB 4.02Å; I1589-I1681 HydrophobicContact CD1-CG2 3.76Å; I1589-I1681 HydrophobicContact CG1-CG2 4.16Å; H1630-I1681 HydrophobicContact CB-CD1 4.23Å; H1630-I1681 HydrophobicContact CB-CG2 4.3Å; A1656-I1681 HydrophobicContact CB-CG1 4.15Å; T1677-I1681 HydrophobicContact CG2-CD1 3.61Å; T1677-I1681 HydrophobicContact CG2-CG1 4.21Å; T1677-I1681 WeakPolarHBondContact O-CB 3.48Å; T1677-I1681 VanDerWaalsContact O-CG1 3.29Å; T1677-I1681 WeakPolarHBondContact O-CG1 3.39Å; T1677-I1681 PolarHBondContact O-N 2.94Å; A1678-I1681 PolarHBondContact O-N 3Å; I1681-R1683 PolarHBondContact O-N 2.75Å; I1681-R1684 PolarHBondContact O-N 2.91Å; I1681-R1685 PolarHBondContact O-N 2.96Å |
| 1682 | S | 92.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.5 | -40.4 | 177.6 | -87.2 | 0 | 0 | 0 | 0 | 113.1 | D1404 A1678 L1679 N1680 R1685 R1686 | D1404-S1682 VanDerWaalsContact CG-CB 3.41Å; D1404-S1682 WeakPolarHBondContact OD1-CB 3.48Å; D1404-S1682 PolarHBondContact OD1-OG 3.44Å; D1404-S1682 WeakPolarHBondContact OD2-CB 3.47Å; A1678-S1682 WeakPolarHBondContact O-CB 3.29Å; A1678-S1682 PolarHBondContact O-N 2.81Å; L1679-S1682 PolarHBondContact O-N 2.88Å; N1680-S1682 PolarHBondContact O-N 3.08Å; S1682-R1685 PolarHBondContact O-N 3.31Å; S1682-R1686 WeakPolarHBondContact O-CG 3.29Å; S1682-R1686 PolarHBondContact O-N 2.69Å |
| 1683 | R | 91.9 | Very high | 90.6 | Very high | 27 Ų | 27 | 28.3 Ų | 28.3 | 10% | 0.102 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 172.5 | -74.8 | 168.8 | -176.5 | 168.5 | -0.7 | 111.9 | D1494 S1497 L1679 N1680 I1681 R1685 R1686 L1687 | D1494-R1683 IonicContact OD2-NH2 3.86Å; S1497-R1683 PolarHBondContact OG-NH2 2.9Å; L1679-R1683 WeakPolarHBondContact O-CB 3.49Å; L1679-R1683 VanDerWaalsContact O-CG 3.25Å; L1679-R1683 WeakPolarHBondContact O-CG 3.47Å; L1679-R1683 PolarHBondContact O-N 3.35Å; N1680-R1683 PolarHBondContact O-N 2.9Å; I1681-R1683 PolarHBondContact O-N 2.75Å; R1683-R1685 PolarHBondContact O-N 2.77Å; R1683-R1686 WeakPolarHBondContact O-CB 3.36Å; R1683-R1686 PolarHBondContact O-N 3.11Å; R1683-R1686 VanDerWaalsContact O-N 3.13Å; R1683-L1687 WeakPolarHBondContact O-CG 3.32Å; R1683-L1687 PolarHBondContact O-N 3.12Å |
| 1684 | R | 91 | Very high | 90.4 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 2% | 0.019 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.4 | -41.6 | 176 | -72.6 | -164.9 | -173.6 | -176.8 | 12.1 | 112.3 | H875 L1014 E1018 M1653 F1655 N1680 I1681 R1686 L1687 D1688 | H875-R1684 PolarHBondContact NE2-NH2 2.9Å; L1014-R1684 HydrophobicContact CD1-CG 4.45Å; E1018-R1684 WeakPolarHBondContact OE1-CG 3.47Å; E1018-R1684 IonicContact OE1-CZ 3.1Å; E1018-R1684 IonicContact OE1-NE 3.8Å; E1018-R1684 PolarHBondContact OE1-NE 3.05Å; E1018-R1684 IonicContact OE1-NH2 2.82Å; E1018-R1684 PolarHBondContact OE1-NH2 3.49Å; E1018-R1684 IonicContact OE2-CZ 3.78Å; E1018-R1684 IonicContact OE2-NE 3.25Å; E1018-R1684 PolarHBondContact OE2-NE 2.95Å; E1018-R1684 IonicContact OE2-NH2 3.43Å; E1018-R1684 PolarHBondContact OE2-NH2 2.69Å; M1653-R1684 HydrophobicContact CE-CB 4.32Å; M1653-R1684 WeakPolarHBondContact CE-O 3.38Å; M1653-R1684 VanDerWaalsContact O-CD 3.24Å; M1653-R1684 WeakPolarHBondContact O-CD 3.36Å; F1655-R1684 VanDerWaalsContact O-CZ 3.3Å; F1655-R1684 PolarHBondContact O-NH1 2.96Å; N1680-R1684 WeakPolarHBondContact O-CG 3.08Å; N1680-R1684 PolarHBondContact O-N 3.01Å; I1681-R1684 PolarHBondContact O-N 2.91Å; R1684-R1686 VanDerWaalsContact C-N 3.34Å; R1684-R1686 PolarHBondContact O-N 2.92Å; R1684-L1687 PolarHBondContact O-N 2.72Å; R1684-D1688 PolarHBondContact O-N 3.4Å |
| 1685 | R | 88.2 | Confident | 90.2 | Very high | 52 Ų | 52 | 30.1 Ų | 30.1 | 20% | 0.196 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 173.6 | -175.4 | 64.7 | 164.6 | -156.4 | -8.6 | 112.3 | A1585 A1587 I1681 S1682 R1683 N1689 | A1585-R1685 PolarHBondContact O-NE 2.93Å; A1585-R1685 PolarHBondContact O-NH2 3.31Å; A1585-R1685 VanDerWaalsContact O-NH2 3.12Å; A1587-R1685 HydrophobicContact CB-CB 4.15Å; A1587-R1685 HydrophobicContact CB-CG 4.14Å; I1681-R1685 PolarHBondContact O-N 2.96Å; S1682-R1685 PolarHBondContact O-N 3.31Å; R1683-R1685 PolarHBondContact O-N 2.77Å; R1685-N1689 PolarHBondContact O-N 2.99Å |
| 1686 | R | 89.3 | Confident | 90 | Very high | 33 Ų | 33 | 28.9 Ų | 28.9 | 13% | 0.125 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.3 | -35.9 | 173.6 | -72.9 | -171.6 | -82 | -89.1 | 16.1 | 112.8 | R1128 T1402 D1404 S1682 R1683 R1684 Y1692 | R1128-R1686 PolarHBondContact NH2-O 3.06Å; T1402-R1686 PolarHBondContact OG1-NH2 3.05Å; T1402-R1686 VanDerWaalsContact OG1-NH2 3.16Å; D1404-R1686 VanDerWaalsContact CG-NH1 3.29Å; D1404-R1686 IonicContact OD1-CZ 2.72Å; D1404-R1686 IonicContact OD1-NH1 3.78Å; D1404-R1686 PolarHBondContact OD1-NH1 3.41Å; D1404-R1686 IonicContact OD1-NH2 3.66Å; D1404-R1686 IonicContact OD2-CZ 3.73Å; D1404-R1686 VanDerWaalsContact OD2-CZ 3.31Å; D1404-R1686 IonicContact OD2-NH1 2.79Å; D1404-R1686 PolarHBondContact OD2-NH1 3.21Å; D1404-R1686 IonicContact OD2-NH2 2.73Å; D1404-R1686 PolarHBondContact OD2-NH2 3.48Å; S1682-R1686 WeakPolarHBondContact O-CG 3.29Å; S1682-R1686 PolarHBondContact O-N 2.69Å; R1683-R1686 WeakPolarHBondContact O-CB 3.36Å; R1683-R1686 PolarHBondContact O-N 3.11Å; R1683-R1686 VanDerWaalsContact O-N 3.13Å; R1684-R1686 VanDerWaalsContact C-N 3.34Å; R1684-R1686 PolarHBondContact O-N 2.92Å; R1686-Y1692 HydrophobicContact CB-CD1 4.03Å; R1686-Y1692 HydrophobicContact CB-CD2 4.43Å; R1686-Y1692 HydrophobicContact CB-CE1 4.18Å; R1686-Y1692 HydrophobicContact CB-CG 4.17Å; R1686-Y1692 WeakPolarHBondContact CD-OH 3.43Å; R1686-Y1692 HydrophobicContact CG-CD1 4.27Å; R1686-Y1692 HydrophobicContact CG-CD2 3.98Å; R1686-Y1692 HydrophobicContact CG-CE1 4.1Å; R1686-Y1692 HydrophobicContact CG-CE2 3.81Å; R1686-Y1692 HydrophobicContact CG-CG 4.22Å |
| 1687 | L | 89.9 | Confident | 90 | Very high | 9 Ų | 9 | 28.5 Ų | 28.5 | 5% | 0.047 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.4 | -45.9 | 175.7 | -70.2 | 171.6 | 0 | 0 | 0 | 111.7 | L1014 V1067 A1068 R1128 M1653 R1683 R1684 N1689 | L1014-L1687 HydrophobicContact CD2-CD1 3.79Å; V1067-L1687 HydrophobicContact CB-CD2 4.01Å; V1067-L1687 HydrophobicContact CG1-CD2 3.76Å; A1068-L1687 HydrophobicContact CB-CD1 4.14Å; R1128-L1687 PolarHBondContact NH1-O 2.76Å; R1128-L1687 PolarHBondContact NH2-O 3.33Å; M1653-L1687 HydrophobicContact CE-CB 4.23Å; R1683-L1687 WeakPolarHBondContact O-CG 3.32Å; R1683-L1687 PolarHBondContact O-N 3.12Å; R1684-L1687 PolarHBondContact O-N 2.72Å; L1687-N1689 VanDerWaalsContact C-N 3.3Å; L1687-N1689 PolarHBondContact O-N 2.73Å |
| 1688 | D | 85.4 | Confident | 89.8 | Confident | 61 Ų | 61 | 31.5 Ų | 31.5 | 33% | 0.326 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -67.9 | -24.5 | 178.6 | -171 | 31.6 | 0 | 0 | 0 | 113.6 | K1060 M1653 R1684 D1690 | K1060-D1688 VanDerWaalsContact CE-O 3.22Å; K1060-D1688 WeakPolarHBondContact CE-O 3.4Å; K1060-D1688 WeakPolarHBondContact CE-OD1 3.41Å; K1060-D1688 PolarHBondContact NZ-O 3.39Å; K1060-D1688 IonicContact NZ-OD1 2.68Å; K1060-D1688 PolarHBondContact NZ-OD1 3.07Å; M1653-D1688 HydrophobicContact CE-CB 4Å; M1653-D1688 HydrophobicContact SD-CB 4Å; R1684-D1688 PolarHBondContact O-N 3.4Å; D1688-D1690 PolarHBondContact O-N 3.1Å |
| 1689 | N | 85 | Confident | 89.8 | Confident | 18 Ų | 18 | 31.7 Ų | 31.7 | 10% | 0.096 | 15% | 0.152 | C | C | . | . | trans | -80.6 | 102.2 | 173.5 | -176.5 | -3.7 | 0 | 0 | 0 | 111.5 | R1128 R1685 L1687 N1691 Y1692 | R1128-N1689 PolarHBondContact NH2-O 3.32Å; R1685-N1689 PolarHBondContact O-N 2.99Å; L1687-N1689 VanDerWaalsContact C-N 3.3Å; L1687-N1689 PolarHBondContact O-N 2.73Å; N1689-N1691 PolarHBondContact O-N 2.86Å; N1689-N1691 PolarHBondContact OD1-N 3.08Å; N1689-Y1692 VanDerWaalsContact O-CB 3.24Å; N1689-Y1692 WeakPolarHBondContact O-CB 3.31Å; N1689-Y1692 PolarHBondContact O-N 3.06Å; N1689-Y1692 PolarHBondContact OD1-N 2.98Å | ||
| 1690 | D | 78.8 | Confident | 89.7 | Confident | 84 Ų | 84 | 33.3 Ų | 33.3 | 45% | 0.449 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.7 | 178 | -67.4 | -61.9 | 0 | 0 | 0 | 114.2 | K1060 R1128 D1688 Y1692 | K1060-D1690 WeakPolarHBondContact CD-OD1 3.35Å; K1060-D1690 WeakPolarHBondContact CD-OD2 3.47Å; K1060-D1690 VanDerWaalsContact CE-CG 3.49Å; K1060-D1690 VanDerWaalsContact CE-OD1 3.24Å; K1060-D1690 WeakPolarHBondContact CE-OD1 3.22Å; K1060-D1690 WeakPolarHBondContact CE-OD2 3.48Å; K1060-D1690 VanDerWaalsContact CG-OD1 3.31Å; K1060-D1690 WeakPolarHBondContact CG-OD1 3.19Å; K1060-D1690 IonicContact NZ-OD1 2.7Å; K1060-D1690 IonicContact NZ-OD2 3.37Å; K1060-D1690 PolarHBondContact NZ-OD2 2.72Å; R1128-D1690 IonicContact NH1-OD1 3.14Å; D1688-D1690 PolarHBondContact O-N 3.1Å; D1690-Y1692 VanDerWaalsContact C-N 3.34Å |
| 1691 | N | 82.4 | Confident | 89.7 | Confident | 101 Ų | 101 | 35.9 Ų | 35.9 | 54% | 0.54 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 3.2 | 178 | -62 | -53.4 | 0 | 0 | 0 | 112.7 | N1689 Q1693 | N1689-N1691 PolarHBondContact O-N 2.86Å; N1689-N1691 PolarHBondContact OD1-N 3.08Å; N1691-Q1693 PolarHBondContact O-N 2.63Å |
| 1692 | Y | 87 | Confident | 89.8 | Confident | 58 Ų | 58 | 37 Ų | 37 | 23% | 0.227 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 117.9 | 179.5 | -180 | -97.8 | 0 | 0 | 0 | 111.6 | T1402 R1686 N1689 D1690 P1694 | T1402-Y1692 WeakPolarHBondContact CG2-OH 3.32Å; R1686-Y1692 HydrophobicContact CB-CD1 4.03Å; R1686-Y1692 HydrophobicContact CB-CD2 4.43Å; R1686-Y1692 HydrophobicContact CB-CE1 4.18Å; R1686-Y1692 HydrophobicContact CB-CG 4.17Å; R1686-Y1692 WeakPolarHBondContact CD-OH 3.43Å; R1686-Y1692 HydrophobicContact CG-CD1 4.27Å; R1686-Y1692 HydrophobicContact CG-CD2 3.98Å; R1686-Y1692 HydrophobicContact CG-CE1 4.1Å; R1686-Y1692 HydrophobicContact CG-CE2 3.81Å; R1686-Y1692 HydrophobicContact CG-CG 4.22Å; N1689-Y1692 VanDerWaalsContact O-CB 3.24Å; N1689-Y1692 WeakPolarHBondContact O-CB 3.31Å; N1689-Y1692 PolarHBondContact O-N 3.06Å; N1689-Y1692 PolarHBondContact OD1-N 2.98Å; D1690-Y1692 VanDerWaalsContact C-N 3.34Å; Y1692-P1694 HydrophobicContact CE1-CG 4.48Å |
| 1693 | Q | 89.5 | Confident | 89.9 | Confident | 70 Ų | 70 | 36.9 Ų | 36.9 | 33% | 0.327 | 18% | 0.175 | S | C | . | . | P | Polyproline II helix | trans | -94 | 120 | 174.7 | -65.3 | -178.8 | -4 | 0 | 0 | 110.2 | N1691 R1698 | N1691-Q1693 PolarHBondContact O-N 2.63Å; Q1693-R1698 HydrophobicContact CB-CG 3.86Å |
| 1694 | P | 91.4 | Very high | 89.9 | Confident | 32 Ų | 32 | 39.3 Ų | 39.3 | 21% | 0.208 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 158.1 | 174.6 | -24.4 | 33.1 | 0 | 0 | 0 | 113.3 | Y1692 H1696 V1697 R1698 | Y1692-P1694 HydrophobicContact CE1-CG 4.48Å; P1694-H1696 VanDerWaalsContact CB-CE1 3.5Å; P1694-H1696 WeakPolarHBondContact CB-CE1 3.41Å; P1694-H1696 PolarHBondContact O-N 2.96Å; P1694-V1697 HydrophobicContact CB-CG2 4.1Å; P1694-V1697 HydrophobicContact CG-CG2 4.07Å; P1694-V1697 WeakPolarHBondContact O-CA 3.49Å; P1694-V1697 WeakPolarHBondContact O-CB 3.28Å; P1694-V1697 PolarHBondContact O-N 3.28Å; P1694-R1698 PolarHBondContact O-N 3.16Å |
| 1695 | P | 91.7 | Very high | 90.1 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 5% | 0.045 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -52.1 | -48.3 | -176.8 | -26.6 | 34.7 | 0 | 0 | 0 | 113.8 | A1400 R1401 T1402 V1697 R1698 R1699 | A1400-P1695 VanDerWaalsContact C-CB 3.47Å; A1400-P1695 VanDerWaalsContact O-CB 3.24Å; A1400-P1695 WeakPolarHBondContact O-CB 3.31Å; R1401-P1695 WeakPolarHBondContact O-CB 3.31Å; R1401-P1695 WeakPolarHBondContact O-CG 3.2Å; T1402-P1695 HydrophobicContact CG2-CG 3.61Å; P1695-V1697 VanDerWaalsContact C-N 3.32Å; P1695-V1697 PolarHBondContact O-N 2.85Å; P1695-R1698 WeakPolarHBondContact O-CB 3.34Å; P1695-R1698 PolarHBondContact O-N 3.3Å; P1695-R1698 VanDerWaalsContact O-N 3.16Å; P1695-R1699 PolarHBondContact O-N 2.91Å |
| 1696 | H | 91.7 | Very high | 90.3 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.019 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.1 | -33.4 | 178.6 | 63.2 | -98.2 | 0 | 0 | 0 | 112.8 | D1131 N1135 P1222 F1223 P1694 R1700 | D1131-H1696 PolarHBondContact O-CE1 3.29Å; D1131-H1696 PolarHBondContact O-NE2 2.9Å; N1135-H1696 PolarHBondContact OD1-CE1 3.16Å; N1135-H1696 VanDerWaalsContact OD1-CE1 3.25Å; N1135-H1696 PolarHBondContact OD1-ND1 3.15Å; P1222-H1696 HydrophobicContact CB-CB 3.95Å; P1222-H1696 VanDerWaalsContact O-CA 3.25Å; P1222-H1696 WeakPolarHBondContact O-CA 3.32Å; F1223-H1696 HydrophobicContact CD1-CB 3.66Å; F1223-H1696 HydrophobicContact CE1-CB 3.36Å; F1223-H1696 AromaticContact CE1-CG 3.66Å; F1223-H1696 HydrophobicContact CZ-CB 4.11Å; P1694-H1696 VanDerWaalsContact CB-CE1 3.5Å; P1694-H1696 WeakPolarHBondContact CB-CE1 3.41Å; P1694-H1696 PolarHBondContact O-N 2.96Å; H1696-R1700 VanDerWaalsContact O-CB 3.22Å; H1696-R1700 WeakPolarHBondContact O-CB 3.29Å; H1696-R1700 PolarHBondContact O-N 3.47Å |
| 1697 | V | 93.2 | Very high | 90.5 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.5 | -42.1 | 174 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | D1131 P1694 P1695 R1700 L1701 | D1131-V1697 HydrophobicContact CB-CG2 3.97Å; P1694-V1697 HydrophobicContact CB-CG2 4.1Å; P1694-V1697 HydrophobicContact CG-CG2 4.07Å; P1694-V1697 WeakPolarHBondContact O-CA 3.49Å; P1694-V1697 WeakPolarHBondContact O-CB 3.28Å; P1694-V1697 PolarHBondContact O-N 3.28Å; P1695-V1697 VanDerWaalsContact C-N 3.32Å; P1695-V1697 PolarHBondContact O-N 2.85Å; V1697-R1700 PolarHBondContact O-N 2.92Å; V1697-L1701 HydrophobicContact CG1-CD1 3.97Å; V1697-L1701 HydrophobicContact CG1-CG 4.33Å; V1697-L1701 WeakPolarHBondContact O-CB 3.4Å; V1697-L1701 VanDerWaalsContact O-CG 3.27Å; V1697-L1701 WeakPolarHBondContact O-CG 3.45Å; V1697-L1701 PolarHBondContact O-N 2.77Å |
| 1698 | R | 92.4 | Very high | 90.5 | Very high | 63 Ų | 63 | 43.3 Ų | 43.3 | 24% | 0.238 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.7 | -46.8 | 175.4 | -62.4 | -174.4 | -60.2 | 172.6 | 0.9 | 111.5 | Q1693 P1694 P1695 L1701 K1702 | Q1693-R1698 HydrophobicContact CB-CG 3.86Å; P1694-R1698 PolarHBondContact O-N 3.16Å; P1695-R1698 WeakPolarHBondContact O-CB 3.34Å; P1695-R1698 PolarHBondContact O-N 3.3Å; P1695-R1698 VanDerWaalsContact O-N 3.16Å; R1698-L1701 PolarHBondContact O-N 2.83Å; R1698-K1702 PolarHBondContact O-N 3.18Å |
| 1699 | R | 93.9 | Very high | 90.9 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -46.2 | 176.2 | -72.4 | -177.3 | 65.2 | 92.6 | 4.2 | 111.9 | G1221 P1222 G1224 L1395 L1398 P1695 L1701 K1702 V1703 | G1221-R1699 PolarHBondContact O-NE 3.27Å; P1222-R1699 WeakPolarHBondContact O-CB 3.35Å; P1222-R1699 VanDerWaalsContact O-CD 3.28Å; P1222-R1699 WeakPolarHBondContact O-CD 3.42Å; G1224-R1699 VanDerWaalsContact C-NH2 3.27Å; G1224-R1699 PolarHBondContact O-NH2 3.43Å; L1395-R1699 HydrophobicContact CD1-CB 4.32Å; L1395-R1699 HydrophobicContact CD1-CG 4.44Å; L1395-R1699 PolarHBondContact O-NH1 2.84Å; L1398-R1699 HydrophobicContact CB-CG 3.9Å; L1398-R1699 HydrophobicContact CD1-CG 4.48Å; L1398-R1699 WeakPolarHBondContact O-CD 3.47Å; L1398-R1699 PolarHBondContact O-NH1 3.08Å; P1695-R1699 PolarHBondContact O-N 2.91Å; R1699-L1701 PolarHBondContact O-N 3.35Å; R1699-K1702 PolarHBondContact O-N 2.96Å; R1699-K1702 VanDerWaalsContact O-N 3.12Å; R1699-V1703 PolarHBondContact O-N 2.84Å |
| 1700 | R | 92.9 | Very high | 91.4 | Very high | 41 Ų | 41 | 45.5 Ų | 45.5 | 16% | 0.155 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.6 | -46.6 | 174.6 | 178.6 | 167.4 | 61.9 | -166.1 | -3 | 112.4 | D1131 E1134 P1222 H1696 V1697 K1702 V1703 Q1704 | D1131-R1700 IonicContact OD1-CZ 2.79Å; D1131-R1700 IonicContact OD1-NH2 3.94Å; D1131-R1700 PolarHBondContact OD1-NH2 3Å; E1134-R1700 IonicContact OE1-NH1 2.76Å; E1134-R1700 IonicContact OE2-CZ 3.18Å; E1134-R1700 IonicContact OE2-NH1 2.76Å; E1134-R1700 PolarHBondContact OE2-NH1 3Å; E1134-R1700 IonicContact OE2-NH2 3.69Å; E1134-R1700 PolarHBondContact OE2-NH2 2.68Å; P1222-R1700 HydrophobicContact CB-CB 4.29Å; P1222-R1700 HydrophobicContact CG-CB 4.16Å; H1696-R1700 VanDerWaalsContact O-CB 3.22Å; H1696-R1700 WeakPolarHBondContact O-CB 3.29Å; H1696-R1700 PolarHBondContact O-N 3.47Å; V1697-R1700 PolarHBondContact O-N 2.92Å; R1700-K1702 VanDerWaalsContact C-N 3.33Å; R1700-K1702 PolarHBondContact O-N 2.86Å; R1700-V1703 PolarHBondContact O-N 3.4Å; R1700-Q1704 WeakPolarHBondContact O-CG 3.39Å; R1700-Q1704 PolarHBondContact O-N 3.07Å |
| 1701 | L | 92.7 | Very high | 91.9 | Very high | 61 Ų | 61 | 45.5 Ų | 45.5 | 32% | 0.319 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.4 | -34.7 | 176.5 | -71.3 | 171.4 | 0 | 0 | 0 | 112.3 | V1697 R1698 R1699 Q1704 D1705 | V1697-L1701 HydrophobicContact CG1-CD1 3.97Å; V1697-L1701 HydrophobicContact CG1-CG 4.33Å; V1697-L1701 WeakPolarHBondContact O-CB 3.4Å; V1697-L1701 VanDerWaalsContact O-CG 3.27Å; V1697-L1701 WeakPolarHBondContact O-CG 3.45Å; V1697-L1701 PolarHBondContact O-N 2.77Å; R1698-L1701 PolarHBondContact O-N 2.83Å; R1699-L1701 PolarHBondContact O-N 3.35Å; L1701-Q1704 PolarHBondContact O-N 3.3Å; L1701-D1705 PolarHBondContact O-N 3.22Å |
| 1702 | K | 94.6 | Very high | 92.2 | Very high | 30 Ų | 30 | 43 Ų | 43 | 13% | 0.13 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.2 | -37.3 | 174.4 | -179.3 | 58.4 | -175.3 | 172.9 | 0 | 112.6 | D1391 L1395 L1398 R1698 R1699 R1700 Q1704 D1705 I1706 | D1391-K1702 VanDerWaalsContact CG-NZ 3.31Å; D1391-K1702 IonicContact OD1-NZ 2.82Å; D1391-K1702 PolarHBondContact OD1-NZ 3.39Å; D1391-K1702 IonicContact OD2-NZ 2.79Å; L1395-K1702 HydrophobicContact CB-CG 4.07Å; L1395-K1702 HydrophobicContact CD1-CB 4.03Å; L1395-K1702 HydrophobicContact CD1-CG 3.89Å; L1398-K1702 HydrophobicContact CD1-CB 3.71Å; L1398-K1702 HydrophobicContact CD1-CG 3.91Å; R1698-K1702 PolarHBondContact O-N 3.18Å; R1699-K1702 PolarHBondContact O-N 2.96Å; R1699-K1702 VanDerWaalsContact O-N 3.12Å; R1700-K1702 VanDerWaalsContact C-N 3.33Å; R1700-K1702 PolarHBondContact O-N 2.86Å; K1702-Q1704 VanDerWaalsContact C-N 3.29Å; K1702-Q1704 PolarHBondContact O-N 2.85Å; K1702-D1705 HydrophobicContact CD-CB 4.49Å; K1702-D1705 IonicContact NZ-OD2 3.26Å; K1702-D1705 PolarHBondContact NZ-OD2 2.89Å; K1702-D1705 PolarHBondContact O-N 3.33Å; K1702-I1706 HydrophobicContact CG-CD1 4.35Å; K1702-I1706 WeakPolarHBondContact O-CG1 3.38Å; K1702-I1706 PolarHBondContact O-N 3.13Å |
| 1703 | V | 94 | Very high | 92 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.2 | -39.6 | 170.2 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | V1191 I1197 L1395 R1699 R1700 I1706 V1707 | V1191-V1703 HydrophobicContact CG1-CG1 4.33Å; I1197-V1703 HydrophobicContact CD1-CG1 4.23Å; I1197-V1703 HydrophobicContact CD1-CG2 4.19Å; I1197-V1703 HydrophobicContact CG1-CG1 3.72Å; I1197-V1703 HydrophobicContact CG1-CG2 4.13Å; L1395-V1703 HydrophobicContact CD1-CG2 4.13Å; L1395-V1703 HydrophobicContact CD2-CG2 3.79Å; R1699-V1703 PolarHBondContact O-N 2.84Å; R1700-V1703 PolarHBondContact O-N 3.4Å; V1703-I1706 WeakPolarHBondContact O-CB 3.27Å; V1703-I1706 PolarHBondContact O-N 3.41Å; V1703-V1707 HydrophobicContact CG1-CG2 4.44Å; V1703-V1707 WeakPolarHBondContact O-CG2 3.49Å; V1703-V1707 PolarHBondContact O-N 2.87Å |
| 1704 | Q | 93.5 | Very high | 91.7 | Very high | 78 Ų | 78 | 45 Ų | 45 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.7 | -36.4 | 177.3 | -70.2 | 173.3 | -1.4 | 0 | 0 | 113.3 | N1194 R1700 L1701 K1702 V1707 Q1708 | N1194-Q1704 WeakPolarHBondContact O-CG 3.29Å; N1194-Q1704 PolarHBondContact O-NE2 3.49Å; R1700-Q1704 WeakPolarHBondContact O-CG 3.39Å; R1700-Q1704 PolarHBondContact O-N 3.07Å; L1701-Q1704 PolarHBondContact O-N 3.3Å; K1702-Q1704 VanDerWaalsContact C-N 3.29Å; K1702-Q1704 PolarHBondContact O-N 2.85Å; Q1704-V1707 PolarHBondContact O-N 3.26Å; Q1704-Q1708 WeakPolarHBondContact O-CB 3.3Å; Q1704-Q1708 PolarHBondContact O-N 2.88Å |
| 1705 | D | 93.9 | Very high | 91.2 | Very high | 33 Ų | 33 | 45.9 Ų | 45.9 | 18% | 0.176 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.8 | -43.6 | 168.7 | 166.7 | 66.4 | 0 | 0 | 0 | 111.8 | L1701 K1702 Q1708 K1709 | L1701-D1705 PolarHBondContact O-N 3.22Å; K1702-D1705 HydrophobicContact CD-CB 4.49Å; K1702-D1705 IonicContact NZ-OD2 3.26Å; K1702-D1705 PolarHBondContact NZ-OD2 2.89Å; K1702-D1705 PolarHBondContact O-N 3.33Å; D1705-Q1708 PolarHBondContact O-N 3.38Å; D1705-K1709 VanDerWaalsContact CG-NZ 3.26Å; D1705-K1709 WeakPolarHBondContact O-CD 3.49Å; D1705-K1709 WeakPolarHBondContact O-CG 3.48Å; D1705-K1709 PolarHBondContact O-N 2.87Å; D1705-K1709 VanDerWaalsContact O-N 3.09Å; D1705-K1709 WeakPolarHBondContact OD1-CE 3.39Å; D1705-K1709 IonicContact OD1-NZ 3.08Å; D1705-K1709 PolarHBondContact OD1-NZ 2.87Å; D1705-K1709 IonicContact OD2-NZ 3.85Å; D1705-K1709 PolarHBondContact OD2-NZ 3.44Å |
| 1706 | I | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.7 | -47.4 | 175.5 | -68.5 | 167.1 | 0 | 0 | 0 | 110.9 | I1197 L1381 F1388 D1391 L1395 K1702 V1703 Q1708 K1709 Y1710 | I1197-I1706 HydrophobicContact CD1-CD1 4.19Å; I1197-I1706 HydrophobicContact CD1-CG2 4.02Å; L1381-I1706 HydrophobicContact CD1-CG2 4.07Å; F1388-I1706 HydrophobicContact CD2-CG2 4.41Å; F1388-I1706 HydrophobicContact CE2-CG2 3.92Å; D1391-I1706 HydrophobicContact CB-CD1 4.49Å; D1391-I1706 HydrophobicContact CB-CG1 4.18Å; L1395-I1706 HydrophobicContact CB-CD1 4.16Å; L1395-I1706 HydrophobicContact CD2-CD1 3.99Å; K1702-I1706 HydrophobicContact CG-CD1 4.35Å; K1702-I1706 WeakPolarHBondContact O-CG1 3.38Å; K1702-I1706 PolarHBondContact O-N 3.13Å; V1703-I1706 WeakPolarHBondContact O-CB 3.27Å; V1703-I1706 PolarHBondContact O-N 3.41Å; I1706-Q1708 VanDerWaalsContact C-N 3.32Å; I1706-Q1708 PolarHBondContact O-N 2.87Å; I1706-K1709 PolarHBondContact O-N 2.84Å; I1706-Y1710 HydrophobicContact CB-CD2 4.39Å; I1706-Y1710 HydrophobicContact CG2-CD2 3.86Å; I1706-Y1710 HydrophobicContact CG2-CE2 4.43Å; I1706-Y1710 WeakPolarHBondContact O-CD2 3.49Å; I1706-Y1710 PolarHBondContact O-N 3.32Å |
| 1707 | V | 91.9 | Very high | 89.8 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.3 | -46.3 | 174.5 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | V1191 V1703 Q1704 K1709 K1711 | V1191-V1707 HydrophobicContact CB-CG2 4.02Å; V1191-V1707 HydrophobicContact CG1-CG2 3.67Å; V1191-V1707 HydrophobicContact CG2-CG2 3.8Å; V1703-V1707 HydrophobicContact CG1-CG2 4.44Å; V1703-V1707 WeakPolarHBondContact O-CG2 3.49Å; V1703-V1707 PolarHBondContact O-N 2.87Å; Q1704-V1707 PolarHBondContact O-N 3.26Å; V1707-K1709 VanDerWaalsContact C-N 3.27Å; V1707-K1709 PolarHBondContact O-N 3.5Å; V1707-K1711 HydrophobicContact CG1-CB 4.42Å; V1707-K1711 HydrophobicContact CG1-CD 4.47Å; V1707-K1711 WeakPolarHBondContact O-CB 3.46Å; V1707-K1711 VanDerWaalsContact O-CG 3.3Å; V1707-K1711 WeakPolarHBondContact O-CG 3.43Å; V1707-K1711 PolarHBondContact O-N 3.4Å; V1707-K1711 VanDerWaalsContact O-N 3.07Å |
| 1708 | Q | 91.4 | Very high | 89.4 | Confident | 139 Ų | 139 | 54.7 Ų | 54.7 | 65% | 0.65 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -66.5 | -29.3 | -176.8 | -172 | 168.8 | 14.5 | 0 | 0 | 113 | Q1704 D1705 I1706 | Q1704-Q1708 WeakPolarHBondContact O-CB 3.3Å; Q1704-Q1708 PolarHBondContact O-N 2.88Å; D1705-Q1708 PolarHBondContact O-N 3.38Å; I1706-Q1708 VanDerWaalsContact C-N 3.32Å; I1706-Q1708 PolarHBondContact O-N 2.87Å |
| 1709 | K | 93.6 | Very high | 88.9 | Confident | 100 Ų | 100 | 52.2 Ų | 52.2 | 44% | 0.435 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -81.1 | -44.3 | 176.8 | -74.6 | 165.4 | 173.3 | 166.1 | 0 | 113.9 | D1391 D1705 I1706 V1707 | D1391-K1709 IonicContact OD1-NZ 2.76Å; D1391-K1709 WeakPolarHBondContact OD2-CD 3.46Å; D1391-K1709 IonicContact OD2-NZ 2.73Å; D1391-K1709 PolarHBondContact OD2-NZ 3.48Å; D1705-K1709 VanDerWaalsContact CG-NZ 3.26Å; D1705-K1709 WeakPolarHBondContact O-CD 3.49Å; D1705-K1709 WeakPolarHBondContact O-CG 3.48Å; D1705-K1709 PolarHBondContact O-N 2.87Å; D1705-K1709 VanDerWaalsContact O-N 3.09Å; D1705-K1709 WeakPolarHBondContact OD1-CE 3.39Å; D1705-K1709 IonicContact OD1-NZ 3.08Å; D1705-K1709 PolarHBondContact OD1-NZ 2.87Å; D1705-K1709 IonicContact OD2-NZ 3.85Å; D1705-K1709 PolarHBondContact OD2-NZ 3.44Å; I1706-K1709 PolarHBondContact O-N 2.84Å; V1707-K1709 VanDerWaalsContact C-N 3.27Å; V1707-K1709 PolarHBondContact O-N 3.5Å |
| 1710 | Y | 94.1 | Very high | 88.3 | Confident | 25 Ų | 25 | 55 Ų | 55 | 10% | 0.098 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -116.4 | 0.9 | -161.9 | -51.9 | -73.6 | 0 | 0 | 0 | 114.5 | L1381 D1382 A1387 F1388 D1391 I1706 | L1381-Y1710 CarbonylContact C-O 3.6Å; L1381-Y1710 WeakPolarHBondContact CA-O 3.42Å; D1382-Y1710 PolarHBondContact N-O 3.46Å; A1387-Y1710 PolarHBondContact O-OH 3.16Å; F1388-Y1710 HydrophobicContact CB-CD1 4.3Å; F1388-Y1710 HydrophobicContact CB-CE1 4.1Å; F1388-Y1710 HydrophobicContact CD2-CD1 4.32Å; F1388-Y1710 AromaticContact CD2-CD2 3.68Å; F1388-Y1710 HydrophobicContact CD2-CD2 3.68Å; F1388-Y1710 HydrophobicContact CD2-CE2 4.02Å; F1388-Y1710 AromaticContact CD2-CG 3.86Å; F1388-Y1710 HydrophobicContact CD2-CG 3.86Å; F1388-Y1710 HydrophobicContact CE2-CD2 4.34Å; D1391-Y1710 HydrophobicContact CB-CE2 4.21Å; D1391-Y1710 PolarHBondContact OD2-OH 2.9Å; I1706-Y1710 HydrophobicContact CB-CD2 4.39Å; I1706-Y1710 HydrophobicContact CG2-CD2 3.86Å; I1706-Y1710 HydrophobicContact CG2-CE2 4.43Å; I1706-Y1710 WeakPolarHBondContact O-CD2 3.49Å; I1706-Y1710 PolarHBondContact O-N 3.32Å |
| 1711 | K | 90.7 | Very high | 87.9 | Confident | 84 Ų | 84 | 55.5 Ų | 55.5 | 37% | 0.365 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -60.5 | 140.1 | 178.6 | 67.5 | 179.7 | -172.7 | 64 | 0 | 113.3 | I1379 V1380 V1707 D1713 | I1379-K1711 HydrophobicContact CG2-CB 3.84Å; V1380-K1711 WeakPolarHBondContact O-CA 3.3Å; V1707-K1711 HydrophobicContact CG1-CB 4.42Å; V1707-K1711 HydrophobicContact CG1-CD 4.47Å; V1707-K1711 WeakPolarHBondContact O-CB 3.46Å; V1707-K1711 VanDerWaalsContact O-CG 3.3Å; V1707-K1711 WeakPolarHBondContact O-CG 3.43Å; V1707-K1711 PolarHBondContact O-N 3.4Å; V1707-K1711 VanDerWaalsContact O-N 3.07Å; K1711-D1713 IonicContact NZ-OD1 3.43Å; K1711-D1713 PolarHBondContact NZ-OD1 2.91Å; K1711-D1713 IonicContact NZ-OD2 2.7Å; K1711-D1713 PolarHBondContact NZ-OD2 3.06Å |
| 1712 | M | 88.3 | Confident | 87.4 | Confident | 49 Ų | 49 | 55 Ų | 55 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | trans | -96.4 | 118 | 169.9 | -60.5 | -173.8 | 73.2 | 0 | 0 | 110.9 | V1380 D1382 L1714 | V1380-M1712 HydrophobicContact CB-CB 4.29Å; V1380-M1712 HydrophobicContact CG1-CB 4.43Å; V1380-M1712 HydrophobicContact CG1-CG 4.26Å; V1380-M1712 HydrophobicContact CG1-SD 3.68Å; V1380-M1712 PolarHBondContact O-N 3.13Å; D1382-M1712 HydrophobicContact CB-CG 3.9Å; D1382-M1712 HydrophobicContact CB-SD 4.13Å; M1712-L1714 HydrophobicContact CB-CD1 4.45Å; M1712-L1714 HydrophobicContact CB-CD2 4.31Å; M1712-L1714 HydrophobicContact CB-CG 3.95Å; M1712-L1714 HydrophobicContact CE-CD2 4.2Å; M1712-L1714 PolarHBondContact O-N 2.97Å | ||
| 1713 | D | 82.2 | Confident | 86.6 | Confident | 138 Ų | 138 | 53.8 Ų | 53.8 | 74% | 0.738 | 29% | 0.286 | S | S | * | . | trans | -79.4 | 63.1 | 176 | -71.1 | -42.6 | 0 | 0 | 0 | 111.9 | K1711 | K1711-D1713 IonicContact NZ-OD1 3.43Å; K1711-D1713 PolarHBondContact NZ-OD1 2.91Å; K1711-D1713 IonicContact NZ-OD2 2.7Å; K1711-D1713 PolarHBondContact NZ-OD2 3.06Å | ||
| 1714 | L | 83.4 | Confident | 85.8 | Confident | 33 Ų | 33 | 59.7 Ų | 59.7 | 17% | 0.173 | 31% | 0.311 | C | S | . | . | trans | -69.1 | 158.5 | 175.8 | -61.7 | -179.6 | 0 | 0 | 0 | 112 | R1376 V1380 M1712 D1718 L1719 H1722 | R1376-L1714 PolarHBondContact NH1-O 3.29Å; R1376-L1714 PolarHBondContact NH2-O 3.38Å; V1380-L1714 HydrophobicContact CB-CD1 4.02Å; V1380-L1714 HydrophobicContact CG1-CD1 4.48Å; V1380-L1714 HydrophobicContact CG2-CD1 3.78Å; M1712-L1714 HydrophobicContact CB-CD1 4.45Å; M1712-L1714 HydrophobicContact CB-CD2 4.31Å; M1712-L1714 HydrophobicContact CB-CG 3.95Å; M1712-L1714 HydrophobicContact CE-CD2 4.2Å; M1712-L1714 PolarHBondContact O-N 2.97Å; L1714-D1718 HydrophobicContact CB-CB 4.01Å; L1714-D1718 HydrophobicContact CD2-CB 4.08Å; L1714-L1719 HydrophobicContact CD1-CB 4.48Å; L1714-L1719 HydrophobicContact CD1-CD1 4.47Å; L1714-H1722 HydrophobicContact CD1-CB 4.37Å | ||
| 1715 | S | 80.5 | Confident | 84.8 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 34% | 0.343 | 32% | 0.319 | S | S | . | . | trans | -78.9 | 177.9 | 157.6 | 79.2 | 0 | 0 | 0 | 0 | 111.7 | A1717 D1718 L1719 | S1715-A1717 PolarHBondContact OG-N 3.48Å; S1715-D1718 WeakPolarHBondContact CA-OD2 3.29Å; S1715-D1718 WeakPolarHBondContact CB-OD2 3.38Å; S1715-D1718 PolarHBondContact N-OD2 2.87Å; S1715-D1718 PolarHBondContact O-N 3.28Å; S1715-D1718 PolarHBondContact OG-N 3.43Å; S1715-D1718 VanDerWaalsContact OG-N 3.13Å; S1715-D1718 PolarHBondContact OG-OD2 2.98Å; S1715-L1719 WeakPolarHBondContact O-CB 3.38Å; S1715-L1719 PolarHBondContact O-N 3.49Å | ||
| 1716 | E | 75.9 | Confident | 83.1 | Confident | 63 Ų | 63 | 66.8 Ų | 66.8 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 175.1 | -159.1 | 165.8 | 127.7 | 0 | 0 | 111.5 | F1358 R1361 L1720 | F1358-E1716 HydrophobicContact CD1-CG 3.9Å; F1358-E1716 HydrophobicContact CE1-CG 3.67Å; F1358-E1716 HydrophobicContact CZ-CG 4.35Å; R1361-E1716 IonicContact CZ-OE2 3.25Å; R1361-E1716 VanDerWaalsContact CZ-OE2 3.25Å; R1361-E1716 VanDerWaalsContact NH1-CD 3.26Å; R1361-E1716 IonicContact NH1-OE1 3Å; R1361-E1716 PolarHBondContact NH1-OE1 2.91Å; R1361-E1716 IonicContact NH1-OE2 2.71Å; R1361-E1716 PolarHBondContact NH1-OE2 2.87Å; R1361-E1716 IonicContact NH2-OE2 2.87Å; R1361-E1716 PolarHBondContact NH2-OE2 3.39Å; E1716-L1720 WeakPolarHBondContact O-CG 3.45Å; E1716-L1720 PolarHBondContact O-N 3.43Å |
| 1717 | A | 79.2 | Confident | 81.1 | Confident | 66 Ų | 66 | 68.8 Ų | 68.8 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.7 | -39.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | S1715 L1720 A1721 | S1715-A1717 PolarHBondContact OG-N 3.48Å; A1717-L1720 PolarHBondContact O-N 2.84Å; A1717-A1721 WeakPolarHBondContact O-CB 3.27Å; A1717-A1721 PolarHBondContact O-N 3.32Å |
| 1718 | D | 83.7 | Confident | 78.7 | Confident | 83 Ų | 83 | 77.7 Ų | 77.7 | 44% | 0.444 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.2 | -35.5 | 178 | -53.4 | -50.6 | 0 | 0 | 0 | 111.8 | L1714 S1715 A1721 H1722 | L1714-D1718 HydrophobicContact CB-CB 4.01Å; L1714-D1718 HydrophobicContact CD2-CB 4.08Å; S1715-D1718 WeakPolarHBondContact CA-OD2 3.29Å; S1715-D1718 WeakPolarHBondContact CB-OD2 3.38Å; S1715-D1718 PolarHBondContact N-OD2 2.87Å; S1715-D1718 PolarHBondContact O-N 3.28Å; S1715-D1718 PolarHBondContact OG-N 3.43Å; S1715-D1718 VanDerWaalsContact OG-N 3.13Å; S1715-D1718 PolarHBondContact OG-OD2 2.98Å; D1718-A1721 PolarHBondContact O-N 3.36Å; D1718-H1722 VanDerWaalsContact O-CB 3.26Å; D1718-H1722 WeakPolarHBondContact O-CB 3.36Å; D1718-H1722 PolarHBondContact O-N 2.85Å |
| 1719 | L | 83.3 | Confident | 78 | Confident | 11 Ų | 11 | 74.7 Ų | 74.7 | 6% | 0.058 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 172.4 | 174.9 | 63.3 | 0 | 0 | 0 | 111.1 | V1380 L1714 S1715 H1722 L1723 | V1380-L1719 HydrophobicContact CG2-CD1 3.51Å; L1714-L1719 HydrophobicContact CD1-CB 4.48Å; L1714-L1719 HydrophobicContact CD1-CD1 4.47Å; S1715-L1719 WeakPolarHBondContact O-CB 3.38Å; S1715-L1719 PolarHBondContact O-N 3.49Å; L1719-H1722 PolarHBondContact O-N 3.26Å; L1719-L1723 WeakPolarHBondContact O-CG 3.2Å; L1719-L1723 PolarHBondContact O-N 2.99Å; L1719-L1723 VanDerWaalsContact O-N 3.13Å |
| 1720 | L | 80.8 | Confident | 77.2 | Confident | 62 Ų | 62 | 73.3 Ų | 73.3 | 33% | 0.325 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 175.4 | -72.4 | 170.4 | 0 | 0 | 0 | 111.4 | F1358 E1716 A1717 H1722 L1723 F1724 | F1358-L1720 HydrophobicContact CE2-CD1 4.17Å; F1358-L1720 HydrophobicContact CE2-CD2 4.05Å; F1358-L1720 HydrophobicContact CE2-CG 4.4Å; F1358-L1720 HydrophobicContact CZ-CD1 4.27Å; F1358-L1720 HydrophobicContact CZ-CD2 4.08Å; F1358-L1720 HydrophobicContact CZ-CG 4.18Å; E1716-L1720 WeakPolarHBondContact O-CG 3.45Å; E1716-L1720 PolarHBondContact O-N 3.43Å; A1717-L1720 PolarHBondContact O-N 2.84Å; L1720-H1722 VanDerWaalsContact C-N 3.3Å; L1720-H1722 PolarHBondContact O-N 3.46Å; L1720-L1723 HydrophobicContact CD2-CD1 4.5Å; L1720-L1723 WeakPolarHBondContact O-CB 3.46Å; L1720-L1723 PolarHBondContact O-N 3.07Å; L1720-L1723 VanDerWaalsContact O-N 3.14Å; L1720-F1724 VanDerWaalsContact O-CD2 3.27Å; L1720-F1724 WeakPolarHBondContact O-CD2 3.36Å; L1720-F1724 PolarHBondContact O-N 3.28Å |
| 1721 | A | 83.3 | Confident | 76.3 | Confident | 52 Ų | 52 | 76 Ų | 76 | 43% | 0.43 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.8 | -39.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1717 D1718 F1724 Q1725 | A1717-A1721 WeakPolarHBondContact O-CB 3.27Å; A1717-A1721 PolarHBondContact O-N 3.32Å; D1718-A1721 PolarHBondContact O-N 3.36Å; A1721-F1724 PolarHBondContact O-N 3.34Å; A1721-Q1725 PolarHBondContact O-N 3.46Å |
| 1722 | H | 82.5 | Confident | 75.4 | Confident | 51 Ų | 51 | 75.5 Ų | 75.5 | 24% | 0.236 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.7 | -35.6 | 176 | -174.5 | 58.8 | 0 | 0 | 0 | 112.6 | L1714 D1718 L1719 L1720 F1724 Q1725 | L1714-H1722 HydrophobicContact CD1-CB 4.37Å; D1718-H1722 VanDerWaalsContact O-CB 3.26Å; D1718-H1722 WeakPolarHBondContact O-CB 3.36Å; D1718-H1722 PolarHBondContact O-N 2.85Å; L1719-H1722 PolarHBondContact O-N 3.26Å; L1720-H1722 VanDerWaalsContact C-N 3.3Å; L1720-H1722 PolarHBondContact O-N 3.46Å; H1722-F1724 VanDerWaalsContact C-N 3.27Å; H1722-F1724 PolarHBondContact O-N 2.93Å; H1722-Q1725 PolarHBondContact ND1-OE1 3.02Å; H1722-Q1725 WeakPolarHBondContact O-CB 3.37Å; H1722-Q1725 PolarHBondContact O-N 2.82Å; H1722-Q1725 VanDerWaalsContact O-N 3.11Å |
| 1723 | L | 79.4 | Confident | 74.6 | Confident | 4 Ų | 4 | 77.2 Ų | 77.2 | 2% | 0.021 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.4 | -29.8 | 173.7 | -73 | 162.4 | 0 | 0 | 0 | 113.1 | F1190 L1350 L1356 L1719 L1720 | F1190-L1723 HydrophobicContact CE1-CD2 3.92Å; F1190-L1723 HydrophobicContact CZ-CD2 3.58Å; L1350-L1723 HydrophobicContact CD1-CD2 3.59Å; L1356-L1723 HydrophobicContact CD1-CD1 4.2Å; L1356-L1723 HydrophobicContact CD2-CD1 3.58Å; L1719-L1723 WeakPolarHBondContact O-CG 3.2Å; L1719-L1723 PolarHBondContact O-N 2.99Å; L1719-L1723 VanDerWaalsContact O-N 3.13Å; L1720-L1723 HydrophobicContact CD2-CD1 4.5Å; L1720-L1723 WeakPolarHBondContact O-CB 3.46Å; L1720-L1723 PolarHBondContact O-N 3.07Å; L1720-L1723 VanDerWaalsContact O-N 3.14Å |
| 1724 | F | 76.9 | Confident | 74.1 | Confident | 123 Ų | 123 | 73.1 Ų | 73.1 | 54% | 0.539 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -79.3 | -12.9 | 173.3 | -79 | -81.7 | 0 | 0 | 0 | 114.1 | R1347 L1720 A1721 H1722 | R1347-F1724 VanDerWaalsContact NH1-CZ 3.26Å; L1720-F1724 VanDerWaalsContact O-CD2 3.27Å; L1720-F1724 WeakPolarHBondContact O-CD2 3.36Å; L1720-F1724 PolarHBondContact O-N 3.28Å; A1721-F1724 PolarHBondContact O-N 3.34Å; H1722-F1724 VanDerWaalsContact C-N 3.27Å; H1722-F1724 PolarHBondContact O-N 2.93Å |
| 1725 | Q | 71.3 | Confident | 73.4 | Confident | 115 Ų | 115 | 76 Ų | 76 | 54% | 0.537 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -75.9 | 136.7 | 174.2 | -70.5 | 171.9 | -15.9 | 0 | 0 | 110.2 | K1188 A1721 H1722 | K1188-Q1725 VanDerWaalsContact CE-O 3.24Å; K1188-Q1725 WeakPolarHBondContact CE-O 3.41Å; K1188-Q1725 PolarHBondContact NZ-O 3.27Å; A1721-Q1725 PolarHBondContact O-N 3.46Å; H1722-Q1725 PolarHBondContact ND1-OE1 3.02Å; H1722-Q1725 WeakPolarHBondContact O-CB 3.37Å; H1722-Q1725 PolarHBondContact O-N 2.82Å; H1722-Q1725 VanDerWaalsContact O-N 3.11Å |
| 1726 | R | 58.2 | Low | 72.9 | Confident | 146 Ų | 146 | 78.1 Ų | 78.1 | 55% | 0.551 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 144 | 165.3 | -70.2 | -170.3 | -179.8 | 167.7 | 11.9 | 109.1 | E1342 I1728 | E1342-R1726 IonicContact OE1-CZ 2.87Å; E1342-R1726 VanDerWaalsContact OE1-CZ 3.26Å; E1342-R1726 IonicContact OE1-NH1 3.78Å; E1342-R1726 PolarHBondContact OE1-NH1 3.01Å; E1342-R1726 IonicContact OE1-NH2 3.21Å; E1342-R1726 PolarHBondContact OE1-NH2 3.39Å; E1342-R1726 IonicContact OE2-CZ 3.31Å; E1342-R1726 IonicContact OE2-NH2 3.31Å; E1342-R1726 PolarHBondContact OE2-NH2 3Å; R1726-I1728 PolarHBondContact O-N 3.03Å |
| 1727 | A | 53.3 | Low | 72.6 | Confident | 41 Ų | 41 | 79.3 Ų | 79.3 | 34% | 0.339 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 127.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||
| 1728 | I | 39.8 | Very low | 72 | Confident | 198 Ų | 198 | 80.5 Ų | 80.5 | 100% | 1.015 | 41% | 0.409 | S | S | * | . | trans | -78.3 | 0 | -173.4 | -60.6 | 179.2 | 0 | 0 | 0 | 110 | K1186 R1726 | K1186-I1728 PolarHBondContact NZ-O 2.93Å; K1186-I1728 PolarHBondContact NZ-OXT 2.8Å; R1726-I1728 PolarHBondContact O-N 3.03Å |
Retrieved 1,728 of 1,728 residues in 833.5 ms
(Link to these results)