| 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 | 50.5 | Low | 54.9 | Low | 65 Ų | 65 | 66.7 Ų | 66.7 | 32% | 0.32 | 34% | 0.335 | S | S | . | . | 0 | -51.9 | 0 | -103.5 | -164.5 | -90.2 | 0 | 0 | 111.5 | A3 C4 C5 T58 V61 K62 M194 Y210 | M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.18Å; M1-C4 PolarHBondContact O-N 2.99Å; M1-C4 VanDerWaalsContact O-N 3.15Å; M1-C5 PolarHBondContact O-N 3.02Å; M1-C5 VanDerWaalsContact O-N 3.14Å; M1-C5 PolarHBondContact O-SG 2.9Å; M1-C5 VanDerWaalsContact O-SG 3.39Å; M1-T58 HydrophobicContact SD-CG2 4.02Å; M1-V61 HydrophobicContact CE-CB 3.83Å; M1-V61 HydrophobicContact CE-CG1 3.6Å; M1-V61 HydrophobicContact SD-CB 4.38Å; M1-K62 HydrophobicContact CE-CB 3.94Å; M1-M194 HydrophobicContact CG-CE 3.5Å; M1-M194 HydrophobicContact CG-SD 3.69Å; M1-M194 HydrophobicContact SD-CE 3.5Å; M1-M194 WeakPolarHBondContact SD-CE 3.37Å; M1-M194 HydrophobicContact SD-SD 4.38Å; M1-Y210 PolarHBondContact N-OH 3.39Å | |||
| 2 | Q | 53.1 | Low | 54.9 | Low | 141 Ų | 141 | 73.2 Ų | 73.2 | 66% | 0.659 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -54.8 | -43.2 | 176 | -77.9 | 173.1 | -35.4 | 0 | 0 | 113.4 | C4 C5 L6 | Q2-C4 VanDerWaalsContact C-N 3.33Å; Q2-C4 PolarHBondContact O-N 3.09Å; Q2-C5 WeakPolarHBondContact O-CB 3.14Å; Q2-C5 PolarHBondContact O-N 2.77Å; Q2-L6 WeakPolarHBondContact O-CG 3.47Å; Q2-L6 PolarHBondContact O-N 2.8Å |
| 3 | A | 51.1 | Low | 55.1 | Low | 20 Ų | 20 | 70.8 Ų | 70.8 | 17% | 0.165 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 L6 T7 V209 Y210 | M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.18Å; A3-L6 PolarHBondContact O-N 3.36Å; A3-T7 WeakPolarHBondContact O-CG2 3.11Å; A3-T7 PolarHBondContact O-N 2.98Å; A3-T7 PolarHBondContact O-OG1 3.36Å; A3-T7 VanDerWaalsContact O-OG1 3.05Å; A3-V209 HydrophobicContact CB-CG1 4.31Å; A3-Y210 HydrophobicContact CB-CE2 4.19Å |
| 4 | C | 52.7 | Low | 55.8 | Low | 8 Ų | 8 | 69.9 Ų | 69.9 | 5% | 0.054 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.7 | -42.9 | 176.3 | -167.6 | 0 | 0 | 0 | 0 | 111.3 | M1 Q2 T7 L8 | M1-C4 PolarHBondContact O-N 2.99Å; M1-C4 VanDerWaalsContact O-N 3.15Å; Q2-C4 VanDerWaalsContact C-N 3.33Å; Q2-C4 PolarHBondContact O-N 3.09Å; C4-T7 WeakPolarHBondContact CA-OG1 3.48Å; C4-T7 PolarHBondContact O-N 3.37Å; C4-T7 PolarHBondContact O-OG1 3.24Å; C4-L8 WeakPolarHBondContact O-CB 3.38Å; C4-L8 WeakPolarHBondContact O-CD1 3.45Å; C4-L8 VanDerWaalsContact O-CG 3.27Å; C4-L8 WeakPolarHBondContact O-CG 3.2Å; C4-L8 PolarHBondContact O-N 3.42Å; C4-L8 VanDerWaalsContact SG-CD1 3.53Å |
| 5 | C | 54.6 | Low | 56.7 | Low | 21 Ų | 21 | 71.8 Ų | 71.8 | 14% | 0.142 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.4 | -48.1 | 174.9 | -59 | 0 | 0 | 0 | 0 | 111.4 | M1 Q2 T7 L8 E9 | M1-C5 PolarHBondContact O-N 3.02Å; M1-C5 VanDerWaalsContact O-N 3.14Å; M1-C5 PolarHBondContact O-SG 2.9Å; M1-C5 VanDerWaalsContact O-SG 3.39Å; Q2-C5 WeakPolarHBondContact O-CB 3.14Å; Q2-C5 PolarHBondContact O-N 2.77Å; C5-T7 PolarHBondContact O-N 3.32Å; C5-L8 PolarHBondContact O-N 3.48Å; C5-E9 WeakPolarHBondContact O-CB 3.43Å; C5-E9 VanDerWaalsContact O-CG 3.24Å; C5-E9 WeakPolarHBondContact O-CG 3.22Å; C5-E9 PolarHBondContact O-N 3.02Å |
| 6 | L | 60.7 | Low | 57.3 | Low | 98 Ų | 98 | 74 Ų | 74 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 179.9 | -68.2 | 171.5 | 0 | 0 | 0 | 112.2 | Q2 A3 L8 Q10 | Q2-L6 WeakPolarHBondContact O-CG 3.47Å; Q2-L6 PolarHBondContact O-N 2.8Å; A3-L6 PolarHBondContact O-N 3.36Å; L6-L8 PolarHBondContact O-N 3.39Å; L6-Q10 WeakPolarHBondContact O-CB 3.26Å; L6-Q10 VanDerWaalsContact O-CG 3.23Å; L6-Q10 WeakPolarHBondContact O-CG 3.36Å; L6-Q10 PolarHBondContact O-N 2.77Å |
| 7 | T | 56.2 | Low | 58 | Low | 21 Ų | 21 | 71 Ų | 71 | 13% | 0.129 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.8 | -36.9 | 177.5 | 48.2 | 0 | 0 | 0 | 0 | 112.8 | A3 C4 C5 Q10 M11 V209 | A3-T7 WeakPolarHBondContact O-CG2 3.11Å; A3-T7 PolarHBondContact O-N 2.98Å; A3-T7 PolarHBondContact O-OG1 3.36Å; A3-T7 VanDerWaalsContact O-OG1 3.05Å; C4-T7 WeakPolarHBondContact CA-OG1 3.48Å; C4-T7 PolarHBondContact O-N 3.37Å; C4-T7 PolarHBondContact O-OG1 3.24Å; C5-T7 PolarHBondContact O-N 3.32Å; T7-Q10 PolarHBondContact O-N 3.15Å; T7-M11 WeakPolarHBondContact O-CG 2.94Å; T7-M11 PolarHBondContact O-N 2.83Å; T7-V209 HydrophobicContact CG2-CG2 4.05Å |
| 8 | L | 55.5 | Low | 59.3 | Low | 12 Ų | 12 | 69.6 Ų | 69.6 | 6% | 0.063 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -79.3 | -32.1 | -178.5 | -68.2 | 160.2 | 0 | 0 | 0 | 112.2 | C4 C5 L6 Q10 M11 L17 F54 | C4-L8 WeakPolarHBondContact O-CB 3.38Å; C4-L8 WeakPolarHBondContact O-CD1 3.45Å; C4-L8 VanDerWaalsContact O-CG 3.27Å; C4-L8 WeakPolarHBondContact O-CG 3.2Å; C4-L8 PolarHBondContact O-N 3.42Å; C4-L8 VanDerWaalsContact SG-CD1 3.53Å; C5-L8 PolarHBondContact O-N 3.48Å; L6-L8 PolarHBondContact O-N 3.39Å; L8-Q10 VanDerWaalsContact C-N 3.33Å; L8-M11 HydrophobicContact CD2-CE 3.65Å; L8-M11 HydrophobicContact CG-CE 4.34Å; L8-M11 PolarHBondContact O-N 3.37Å; L8-L17 HydrophobicContact CB-CD1 3.42Å; L8-L17 VanDerWaalsContact CB-CD1 3.42Å; L8-L17 HydrophobicContact CB-CG 4.39Å; L8-L17 HydrophobicContact CD1-CD1 4.01Å; L8-L17 HydrophobicContact CD1-CD2 3.81Å; L8-L17 HydrophobicContact CD2-CD2 4.28Å; L8-L17 HydrophobicContact CG-CD1 4.2Å; L8-L17 HydrophobicContact CG-CD2 4.43Å; L8-F54 HydrophobicContact CD1-CZ 4.38Å |
| 9 | E | 60.9 | Low | 60.4 | Low | 118 Ų | 118 | 68.1 Ų | 68.1 | 55% | 0.551 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.6 | -41.8 | 168.2 | -75.6 | 167.8 | -170.5 | 0 | 0 | 110.9 | C5 M11 N12 | C5-E9 WeakPolarHBondContact O-CB 3.43Å; C5-E9 VanDerWaalsContact O-CG 3.24Å; C5-E9 WeakPolarHBondContact O-CG 3.22Å; C5-E9 PolarHBondContact O-N 3.02Å; E9-M11 VanDerWaalsContact C-N 3.26Å; E9-M11 PolarHBondContact O-N 3.46Å; E9-N12 PolarHBondContact O-N 3.17Å |
| 10 | Q | 53.1 | Low | 61.5 | Low | 162 Ų | 162 | 69.2 Ų | 69.2 | 76% | 0.757 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.6 | -21.3 | 177.4 | -76.5 | 172.2 | -14.6 | 0 | 0 | 114.3 | L6 T7 L8 | L6-Q10 WeakPolarHBondContact O-CB 3.26Å; L6-Q10 VanDerWaalsContact O-CG 3.23Å; L6-Q10 WeakPolarHBondContact O-CG 3.36Å; L6-Q10 PolarHBondContact O-N 2.77Å; T7-Q10 PolarHBondContact O-N 3.15Å; L8-Q10 VanDerWaalsContact C-N 3.33Å |
| 11 | M | 55.2 | Low | 62.4 | Low | 68 Ų | 68 | 75.3 Ų | 75.3 | 34% | 0.335 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 6.6 | -179.5 | -69.1 | -174.1 | -58.9 | 0 | 0 | 114.1 | T7 L8 E9 C13 L202 | T7-M11 WeakPolarHBondContact O-CG 2.94Å; T7-M11 PolarHBondContact O-N 2.83Å; L8-M11 HydrophobicContact CD2-CE 3.65Å; L8-M11 HydrophobicContact CG-CE 4.34Å; L8-M11 PolarHBondContact O-N 3.37Å; E9-M11 VanDerWaalsContact C-N 3.26Å; E9-M11 PolarHBondContact O-N 3.46Å; M11-C13 PolarHBondContact O-N 3.07Å; M11-C13 VanDerWaalsContact O-N 3.07Å; M11-L202 HydrophobicContact CE-CD1 3.55Å; M11-L202 HydrophobicContact CE-CD2 4.08Å; M11-L202 HydrophobicContact CE-CG 4.31Å; M11-L202 HydrophobicContact SD-CD1 3.8Å; M11-L202 HydrophobicContact SD-CD2 3.36Å; M11-L202 WeakPolarHBondContact SD-CD2 2.98Å; M11-L202 HydrophobicContact SD-CG 4.17Å |
| 12 | N | 55.2 | Low | 63.5 | Low | 144 Ų | 144 | 73.9 Ų | 73.9 | 77% | 0.77 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 19 | -178.8 | -158.1 | 34.7 | 0 | 0 | 0 | 114.7 | E9 V14 | E9-N12 PolarHBondContact O-N 3.17Å; N12-V14 PolarHBondContact O-N 3.1Å |
| 13 | C | 57.4 | Low | 65 | Low | 42 Ų | 42 | 67.9 Ų | 67.9 | 28% | 0.284 | 36% | 0.363 | S | S | . | . | trans | -88.1 | 25 | 176.1 | -68.4 | 0 | 0 | 0 | 0 | 112.6 | M11 S15 D16 L17 | M11-C13 PolarHBondContact O-N 3.07Å; M11-C13 VanDerWaalsContact O-N 3.07Å; C13-S15 PolarHBondContact O-N 3.41Å; C13-D16 PolarHBondContact O-N 2.93Å; C13-D16 VanDerWaalsContact O-N 3.15Å; C13-L17 WeakPolarHBondContact O-CG 3.46Å; C13-L17 PolarHBondContact O-N 3Å | ||
| 14 | V | 65.4 | Low | 66.6 | Low | 59 Ų | 59 | 72.3 Ų | 72.3 | 36% | 0.358 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.8 | -36.9 | -174.3 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | N12 L17 N18 | N12-V14 PolarHBondContact O-N 3.1Å; V14-L17 PolarHBondContact O-N 3.19Å; V14-N18 WeakPolarHBondContact CG1-ND2 3.41Å; V14-N18 WeakPolarHBondContact O-CB 3.44Å; V14-N18 PolarHBondContact O-N 3.11Å; V14-N18 PolarHBondContact O-ND2 3.4Å; V14-N18 VanDerWaalsContact O-ND2 3.17Å |
| 15 | S | 69.2 | Low | 67.9 | Low | 98 Ų | 98 | 74.2 Ų | 74.2 | 69% | 0.685 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65 | -42.2 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 112.6 | C13 L17 N18 S19 | C13-S15 PolarHBondContact O-N 3.41Å; S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 2.91Å; S15-N18 CarbonylContact O-C 3.45Å; S15-N18 PolarHBondContact O-N 3.46Å; S15-S19 PolarHBondContact O-N 3.46Å |
| 16 | D | 66.2 | Low | 69.2 | Low | 107 Ų | 107 | 73.6 Ų | 73.6 | 57% | 0.572 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67.1 | -35.7 | 180 | -68.3 | -25.5 | 0 | 0 | 0 | 111.6 | C13 S19 T22 | C13-D16 PolarHBondContact O-N 2.93Å; C13-D16 VanDerWaalsContact O-N 3.15Å; D16-S19 WeakPolarHBondContact O-CB 3.32Å; D16-S19 PolarHBondContact O-N 2.96Å; D16-S19 PolarHBondContact O-OG 3.27Å; D16-T22 WeakPolarHBondContact O-CB 3.3Å; D16-T22 PolarHBondContact O-OG1 2.95Å |
| 17 | L | 69.5 | Low | 70.3 | Confident | 23 Ų | 23 | 70.3 Ų | 70.3 | 12% | 0.12 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.1 | -42.6 | 174.8 | -65.7 | 179.7 | 0 | 0 | 0 | 112.4 | L8 C13 V14 S15 S19 F54 | L8-L17 HydrophobicContact CB-CD1 3.42Å; L8-L17 VanDerWaalsContact CB-CD1 3.42Å; L8-L17 HydrophobicContact CB-CG 4.39Å; L8-L17 HydrophobicContact CD1-CD1 4.01Å; L8-L17 HydrophobicContact CD1-CD2 3.81Å; L8-L17 HydrophobicContact CD2-CD2 4.28Å; L8-L17 HydrophobicContact CG-CD1 4.2Å; L8-L17 HydrophobicContact CG-CD2 4.43Å; C13-L17 WeakPolarHBondContact O-CG 3.46Å; C13-L17 PolarHBondContact O-N 3Å; V14-L17 PolarHBondContact O-N 3.19Å; S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 2.91Å; L17-S19 PolarHBondContact O-N 3Å; L17-F54 HydrophobicContact CB-CB 3.98Å; L17-F54 HydrophobicContact CB-CD1 4.48Å; L17-F54 HydrophobicContact CB-CD2 4.15Å; L17-F54 HydrophobicContact CB-CG 3.97Å; L17-F54 HydrophobicContact CD1-CD1 4.25Å; L17-F54 HydrophobicContact CD1-CE1 4.38Å; L17-F54 HydrophobicContact CD2-CD2 4.22Å; L17-F54 HydrophobicContact CD2-CE2 4.08Å; L17-F54 HydrophobicContact CD2-CZ 4.36Å |
| 18 | N | 80.7 | Confident | 71.7 | Confident | 45 Ų | 45 | 75.1 Ų | 75.1 | 24% | 0.241 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -81.1 | -1.1 | 178.5 | -68.6 | -36.9 | 0 | 0 | 0 | 113 | V14 S15 T20 L53 F54 | V14-N18 WeakPolarHBondContact CG1-ND2 3.41Å; V14-N18 WeakPolarHBondContact O-CB 3.44Å; V14-N18 PolarHBondContact O-N 3.11Å; V14-N18 PolarHBondContact O-ND2 3.4Å; V14-N18 VanDerWaalsContact O-ND2 3.17Å; S15-N18 CarbonylContact O-C 3.45Å; S15-N18 PolarHBondContact O-N 3.46Å; N18-T20 PolarHBondContact O-N 3.28Å; N18-L53 HydrophobicContact CB-CD2 4.18Å; N18-L53 WeakPolarHBondContact OD1-CB 3.44Å; N18-F54 WeakPolarHBondContact OD1-CB 3.44Å; N18-F54 PolarHBondContact OD1-N 2.85Å |
| 19 | S | 79.8 | Confident | 72.9 | Confident | 42 Ų | 42 | 79.9 Ų | 79.9 | 29% | 0.294 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -61.6 | 138.3 | 174.9 | 74.3 | 0 | 0 | 0 | 0 | 110.8 | S15 D16 L17 R21 T22 I23 | S15-S19 PolarHBondContact O-N 3.46Å; D16-S19 WeakPolarHBondContact O-CB 3.32Å; D16-S19 PolarHBondContact O-N 2.96Å; D16-S19 PolarHBondContact O-OG 3.27Å; L17-S19 PolarHBondContact O-N 3Å; S19-R21 PolarHBondContact O-N 3.36Å; S19-R21 VanDerWaalsContact O-N 3.16Å; S19-T22 PolarHBondContact O-N 3.44Å; S19-T22 WeakPolarHBondContact OG-CB 3.01Å; S19-T22 PolarHBondContact OG-N 3.11Å; S19-T22 PolarHBondContact OG-OG1 3.22Å; S19-I23 PolarHBondContact O-N 2.7Å; S19-I23 VanDerWaalsContact O-N 3.1Å |
| 20 | T | 83.8 | Confident | 73.8 | Confident | 89 Ų | 89 | 74.8 Ų | 74.8 | 55% | 0.546 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -51.6 | -41.9 | 178.9 | -45 | 0 | 0 | 0 | 0 | 111.3 | N18 T22 I23 E24 | N18-T20 PolarHBondContact O-N 3.28Å; T20-T22 PolarHBondContact O-N 3.39Å; T20-I23 PolarHBondContact O-N 3.09Å; T20-E24 HydrophobicContact CG2-CG 4.25Å; T20-E24 WeakPolarHBondContact O-CB 3.46Å; T20-E24 VanDerWaalsContact O-CG 3.28Å; T20-E24 WeakPolarHBondContact O-CG 3.31Å; T20-E24 PolarHBondContact O-N 3.01Å |
| 21 | R | 79 | Confident | 75.2 | Confident | 199 Ų | 199 | 68.9 Ų | 68.9 | 75% | 0.751 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.7 | -44.4 | 178.6 | -174.2 | 179.9 | 179.9 | -175.1 | 1.2 | 112.8 | S19 T25 | S19-R21 PolarHBondContact O-N 3.36Å; S19-R21 VanDerWaalsContact O-N 3.16Å; R21-T25 VanDerWaalsContact O-CB 3.3Å; R21-T25 WeakPolarHBondContact O-CB 3.32Å; R21-T25 PolarHBondContact O-N 3.47Å; R21-T25 PolarHBondContact O-OG1 2.9Å |
| 22 | T | 75 | Confident | 76.5 | Confident | 34 Ų | 34 | 70.2 Ų | 70.2 | 21% | 0.209 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 177.5 | -65 | 0 | 0 | 0 | 0 | 110.3 | D16 S19 T20 T25 M26 | D16-T22 WeakPolarHBondContact O-CB 3.3Å; D16-T22 PolarHBondContact O-OG1 2.95Å; S19-T22 PolarHBondContact O-N 3.44Å; S19-T22 WeakPolarHBondContact OG-CB 3.01Å; S19-T22 PolarHBondContact OG-N 3.11Å; S19-T22 PolarHBondContact OG-OG1 3.22Å; T20-T22 PolarHBondContact O-N 3.39Å; T22-T25 PolarHBondContact O-N 2.79Å; T22-M26 HydrophobicContact CG2-SD 4.35Å; T22-M26 VanDerWaalsContact O-CG 3.31Å; T22-M26 WeakPolarHBondContact O-CG 3.38Å; T22-M26 PolarHBondContact O-N 3.24Å |
| 23 | I | 83.3 | Confident | 77.7 | Confident | 16 Ų | 16 | 67.4 Ų | 67.4 | 8% | 0.082 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.2 | -48.9 | 179.6 | -66.5 | -179.3 | 0 | 0 | 0 | 111.4 | S19 T20 T25 M26 V27 S52 V57 | S19-I23 PolarHBondContact O-N 2.7Å; S19-I23 VanDerWaalsContact O-N 3.1Å; T20-I23 PolarHBondContact O-N 3.09Å; I23-T25 VanDerWaalsContact C-N 3.33Å; I23-T25 PolarHBondContact O-N 2.84Å; I23-M26 WeakPolarHBondContact O-CB 3.37Å; I23-M26 PolarHBondContact O-N 3.45Å; I23-V27 WeakPolarHBondContact O-CG2 3.38Å; I23-V27 PolarHBondContact O-N 3.16Å; I23-S52 WeakPolarHBondContact CD1-O 3.23Å; I23-V57 HydrophobicContact CG2-CG2 3.85Å |
| 24 | E | 85 | Confident | 79 | Confident | 112 Ų | 112 | 65.8 Ų | 65.8 | 52% | 0.523 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 175.8 | -75.8 | 176.9 | 172.3 | 0 | 0 | 111.5 | T20 M26 V27 L28 | T20-E24 HydrophobicContact CG2-CG 4.25Å; T20-E24 WeakPolarHBondContact O-CB 3.46Å; T20-E24 VanDerWaalsContact O-CG 3.28Å; T20-E24 WeakPolarHBondContact O-CG 3.31Å; T20-E24 PolarHBondContact O-N 3.01Å; E24-M26 VanDerWaalsContact C-N 3.31Å; E24-M26 PolarHBondContact O-N 3.01Å; E24-V27 PolarHBondContact O-N 2.81Å; E24-V27 VanDerWaalsContact O-N 3.16Å; E24-L28 WeakPolarHBondContact O-CB 3.27Å; E24-L28 VanDerWaalsContact O-CG 3.31Å; E24-L28 WeakPolarHBondContact O-CG 3.49Å; E24-L28 PolarHBondContact O-N 3.17Å |
| 25 | T | 80.8 | Confident | 80.1 | Confident | 48 Ų | 48 | 65.1 Ų | 65.1 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 177.5 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | R21 T22 I23 V27 K29 L197 | R21-T25 VanDerWaalsContact O-CB 3.3Å; R21-T25 WeakPolarHBondContact O-CB 3.32Å; R21-T25 PolarHBondContact O-N 3.47Å; R21-T25 PolarHBondContact O-OG1 2.9Å; T22-T25 PolarHBondContact O-N 2.79Å; I23-T25 VanDerWaalsContact C-N 3.33Å; I23-T25 PolarHBondContact O-N 2.84Å; T25-V27 PolarHBondContact O-N 2.78Å; T25-K29 WeakPolarHBondContact O-CG 3.44Å; T25-K29 PolarHBondContact O-N 2.6Å; T25-L197 HydrophobicContact CG2-CD2 3.83Å |
| 26 | M | 80.9 | Confident | 81.1 | Confident | 8 Ų | 8 | 66.3 Ų | 66.3 | 4% | 0.039 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 175.9 | -71.7 | 178.4 | 93.7 | 0 | 0 | 112.2 | T22 I23 E24 K29 L30 F54 V57 T58 M194 L197 | T22-M26 HydrophobicContact CG2-SD 4.35Å; T22-M26 VanDerWaalsContact O-CG 3.31Å; T22-M26 WeakPolarHBondContact O-CG 3.38Å; T22-M26 PolarHBondContact O-N 3.24Å; I23-M26 WeakPolarHBondContact O-CB 3.37Å; I23-M26 PolarHBondContact O-N 3.45Å; E24-M26 VanDerWaalsContact C-N 3.31Å; E24-M26 PolarHBondContact O-N 3.01Å; M26-K29 PolarHBondContact O-N 3.29Å; M26-L30 WeakPolarHBondContact O-CG 3.34Å; M26-F54 HydrophobicContact CE-CD2 3.89Å; M26-F54 HydrophobicContact CE-CE2 3.3Å; M26-F54 HydrophobicContact CE-CZ 4Å; M26-F54 HydrophobicContact SD-CD2 3.42Å; M26-F54 WeakPolarHBondContact SD-CD2 3.38Å; M26-F54 HydrophobicContact SD-CE2 3.35Å; M26-F54 WeakPolarHBondContact SD-CE2 3.44Å; M26-V57 HydrophobicContact CB-CG1 3.99Å; M26-V57 HydrophobicContact CE-CG1 4.23Å; M26-V57 HydrophobicContact SD-CG1 4.22Å; M26-T58 HydrophobicContact CE-CG2 4.17Å; M26-M194 HydrophobicContact CE-CE 3.88Å; M26-L197 HydrophobicContact CE-CD1 4.33Å; M26-L197 HydrophobicContact CG-CD1 3.45Å; M26-L197 VanDerWaalsContact CG-CD1 3.45Å; M26-L197 HydrophobicContact SD-CD1 4.45Å |
| 27 | V | 85.3 | Confident | 82.2 | Confident | 29 Ų | 29 | 65.6 Ų | 65.6 | 18% | 0.176 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.9 | -45.6 | -179.4 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | I23 E24 T25 K29 L30 Q35 R38 | I23-V27 WeakPolarHBondContact O-CG2 3.38Å; I23-V27 PolarHBondContact O-N 3.16Å; E24-V27 PolarHBondContact O-N 2.81Å; E24-V27 VanDerWaalsContact O-N 3.16Å; T25-V27 PolarHBondContact O-N 2.78Å; V27-K29 PolarHBondContact O-N 3.05Å; V27-K29 VanDerWaalsContact O-N 3.12Å; V27-L30 WeakPolarHBondContact O-CB 3.27Å; V27-L30 VanDerWaalsContact O-CG 3.32Å; V27-L30 WeakPolarHBondContact O-CG 3.43Å; V27-L30 PolarHBondContact O-N 3.17Å; V27-Q35 HydrophobicContact CG1-CG 4.47Å; V27-Q35 WeakPolarHBondContact O-CG 3.32Å; V27-R38 HydrophobicContact CG1-CB 4.45Å; V27-R38 HydrophobicContact CG1-CG 4.09Å; V27-R38 HydrophobicContact CG2-CG 3.86Å |
| 28 | L | 85.4 | Confident | 83.1 | Confident | 122 Ų | 122 | 64.6 Ų | 64.6 | 64% | 0.639 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.7 | -21.9 | 179.5 | -73.3 | 174.1 | 0 | 0 | 0 | 113.4 | E24 Q35 | E24-L28 WeakPolarHBondContact O-CB 3.27Å; E24-L28 VanDerWaalsContact O-CG 3.31Å; E24-L28 WeakPolarHBondContact O-CG 3.49Å; E24-L28 PolarHBondContact O-N 3.17Å; L28-Q35 PolarHBondContact O-NE2 3.18Å |
| 29 | K | 80 | Confident | 83.5 | Confident | 113 Ų | 113 | 68.3 Ų | 68.3 | 49% | 0.491 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -10.9 | 176.7 | -68.9 | -67.7 | -173.6 | -173.4 | 0 | 113.9 | T25 M26 V27 V193 | T25-K29 WeakPolarHBondContact O-CG 3.44Å; T25-K29 PolarHBondContact O-N 2.6Å; M26-K29 PolarHBondContact O-N 3.29Å; V27-K29 PolarHBondContact O-N 3.05Å; V27-K29 VanDerWaalsContact O-N 3.12Å; K29-V193 HydrophobicContact CB-CB 4.11Å; K29-V193 HydrophobicContact CB-CG1 3.4Å; K29-V193 HydrophobicContact CB-CG2 3.55Å; K29-V193 HydrophobicContact CD-CG2 4.02Å; K29-V193 HydrophobicContact CG-CG1 3.79Å; K29-V193 HydrophobicContact CG-CG2 3.96Å |
| 30 | L | 80.8 | Confident | 84.1 | Confident | 10 Ų | 10 | 73.5 Ų | 73.5 | 5% | 0.052 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -74.7 | 154.5 | 174.2 | -47.5 | 178.3 | 0 | 0 | 0 | 110.2 | M26 V27 V34 Q35 F60 V61 M190 | M26-L30 WeakPolarHBondContact O-CG 3.34Å; V27-L30 WeakPolarHBondContact O-CB 3.27Å; V27-L30 VanDerWaalsContact O-CG 3.32Å; V27-L30 WeakPolarHBondContact O-CG 3.43Å; V27-L30 PolarHBondContact O-N 3.17Å; L30-V34 HydrophobicContact CB-CB 4.15Å; L30-V34 HydrophobicContact CB-CG1 4.04Å; L30-V34 HydrophobicContact CD1-CG1 3.9Å; L30-V34 HydrophobicContact CG-CG1 4.47Å; L30-Q35 HydrophobicContact CB-CG 4Å; L30-Q35 WeakPolarHBondContact O-CG 3.37Å; L30-Q35 PolarHBondContact O-NE2 3.12Å; L30-F60 HydrophobicContact CD1-CD1 4.5Å; L30-F60 HydrophobicContact CD1-CE1 4.14Å; L30-V61 HydrophobicContact CD1-CG2 4.37Å; L30-V61 HydrophobicContact CD2-CG2 3.78Å; L30-M190 HydrophobicContact CB-CE 3.98Å; L30-M190 HydrophobicContact CD2-CE 3.36Å; L30-M190 HydrophobicContact CD2-SD 3.25Å; L30-M190 WeakPolarHBondContact CD2-SD 3.32Å; L30-M190 HydrophobicContact CG-CE 4.23Å |
| 31 | P | 81.2 | Confident | 84.4 | Confident | 38 Ų | 38 | 71.5 Ų | 71.5 | 25% | 0.247 | 35% | 0.348 | C | S | . | . | trans | -58.2 | 146.7 | 169.5 | -25 | 34.4 | 0 | 0 | 0 | 112.3 | H33 V34 Q35 M190 | P31-H33 VanDerWaalsContact C-N 3.3Å; P31-H33 PolarHBondContact O-N 3.31Å; P31-H33 VanDerWaalsContact O-N 3.12Å; P31-V34 HydrophobicContact CB-CG2 4.27Å; P31-V34 HydrophobicContact CG-CG2 4.37Å; P31-V34 CarbonylContact O-C 3.58Å; P31-V34 WeakPolarHBondContact O-CA 3.01Å; P31-V34 WeakPolarHBondContact O-CB 3.28Å; P31-V34 PolarHBondContact O-N 3.23Å; P31-Q35 PolarHBondContact O-N 2.82Å; P31-M190 HydrophobicContact CG-CE 4.33Å | ||
| 32 | T | 83.9 | Confident | 84.9 | Confident | 96 Ų | 96 | 63.9 Ų | 63.9 | 59% | 0.589 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -50.8 | -43 | -174.4 | -45.7 | 0 | 0 | 0 | 0 | 113.9 | V34 Q35 Q36 | T32-V34 VanDerWaalsContact C-N 3.26Å; T32-V34 PolarHBondContact O-N 2.88Å; T32-Q35 WeakPolarHBondContact O-CB 3.24Å; T32-Q35 PolarHBondContact O-N 2.96Å; T32-Q36 WeakPolarHBondContact O-CG 3.2Å; T32-Q36 PolarHBondContact O-N 3.31Å |
| 33 | H | 79.7 | Confident | 85.6 | Confident | 85 Ų | 85 | 69.4 Ų | 69.4 | 39% | 0.394 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.6 | -30 | 177.6 | 70.9 | -86.8 | 0 | 0 | 0 | 113 | P31 K37 | P31-H33 VanDerWaalsContact C-N 3.3Å; P31-H33 PolarHBondContact O-N 3.31Å; P31-H33 VanDerWaalsContact O-N 3.12Å; H33-K37 WeakPolarHBondContact O-CG 3.42Å; H33-K37 PolarHBondContact O-N 2.89Å |
| 34 | V | 85.3 | Confident | 86 | Confident | 9 Ų | 9 | 76.2 Ų | 76.2 | 6% | 0.055 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -78.3 | -38.9 | 174.8 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | L30 P31 T32 Q36 K37 R38 F60 Q64 | L30-V34 HydrophobicContact CB-CB 4.15Å; L30-V34 HydrophobicContact CB-CG1 4.04Å; L30-V34 HydrophobicContact CD1-CG1 3.9Å; L30-V34 HydrophobicContact CG-CG1 4.47Å; P31-V34 HydrophobicContact CB-CG2 4.27Å; P31-V34 HydrophobicContact CG-CG2 4.37Å; P31-V34 CarbonylContact O-C 3.58Å; P31-V34 WeakPolarHBondContact O-CA 3.01Å; P31-V34 WeakPolarHBondContact O-CB 3.28Å; P31-V34 PolarHBondContact O-N 3.23Å; T32-V34 VanDerWaalsContact C-N 3.26Å; T32-V34 PolarHBondContact O-N 2.88Å; V34-Q36 VanDerWaalsContact C-N 3.31Å; V34-Q36 PolarHBondContact O-N 2.91Å; V34-K37 WeakPolarHBondContact O-CB 3.32Å; V34-K37 PolarHBondContact O-N 2.91Å; V34-R38 PolarHBondContact O-N 3.34Å; V34-F60 HydrophobicContact CG1-CE1 3.59Å; V34-F60 HydrophobicContact CG1-CZ 4.01Å; V34-Q64 HydrophobicContact CG1-CG 4.08Å |
| 35 | Q | 88.2 | Confident | 86.2 | Confident | 45 Ų | 45 | 72.3 Ų | 72.3 | 21% | 0.21 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.2 | -45.1 | 173.8 | -63.3 | -178.3 | 6.9 | 0 | 0 | 111.5 | V27 L28 L30 P31 T32 K37 R38 L39 | V27-Q35 HydrophobicContact CG1-CG 4.47Å; V27-Q35 WeakPolarHBondContact O-CG 3.32Å; L28-Q35 PolarHBondContact O-NE2 3.18Å; L30-Q35 HydrophobicContact CB-CG 4Å; L30-Q35 WeakPolarHBondContact O-CG 3.37Å; L30-Q35 PolarHBondContact O-NE2 3.12Å; P31-Q35 PolarHBondContact O-N 2.82Å; T32-Q35 WeakPolarHBondContact O-CB 3.24Å; T32-Q35 PolarHBondContact O-N 2.96Å; Q35-K37 VanDerWaalsContact C-N 3.34Å; Q35-K37 PolarHBondContact O-N 3.28Å; Q35-R38 WeakPolarHBondContact O-CB 2.94Å; Q35-R38 PolarHBondContact O-N 2.66Å; Q35-R38 VanDerWaalsContact O-N 3.1Å; Q35-L39 PolarHBondContact O-N 2.56Å |
| 36 | Q | 89.4 | Confident | 86.6 | Confident | 122 Ų | 122 | 74 Ų | 74 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.2 | -40.9 | 176.9 | -71.8 | 175.7 | -9.6 | 0 | 0 | 112.4 | T32 V34 R38 L39 K40 | T32-Q36 WeakPolarHBondContact O-CG 3.2Å; T32-Q36 PolarHBondContact O-N 3.31Å; V34-Q36 VanDerWaalsContact C-N 3.31Å; V34-Q36 PolarHBondContact O-N 2.91Å; Q36-R38 VanDerWaalsContact C-N 3.35Å; Q36-L39 WeakPolarHBondContact O-CB 3.42Å; Q36-L39 PolarHBondContact O-N 3.33Å; Q36-K40 PolarHBondContact O-N 3.49Å |
| 37 | K | 89.6 | Confident | 87.1 | Confident | 93 Ų | 93 | 83.2 Ų | 83.2 | 40% | 0.404 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 172.9 | -72.2 | -178.4 | -176.1 | -174.6 | 0 | 111.3 | H33 V34 Q35 L39 K40 T41 F60 Q64 | H33-K37 WeakPolarHBondContact O-CG 3.42Å; H33-K37 PolarHBondContact O-N 2.89Å; V34-K37 WeakPolarHBondContact O-CB 3.32Å; V34-K37 PolarHBondContact O-N 2.91Å; Q35-K37 VanDerWaalsContact C-N 3.34Å; Q35-K37 PolarHBondContact O-N 3.28Å; K37-L39 VanDerWaalsContact C-N 3.31Å; K37-L39 PolarHBondContact O-N 3.4Å; K37-K40 WeakPolarHBondContact O-CB 3.45Å; K37-K40 PolarHBondContact O-N 3.2Å; K37-T41 PolarHBondContact O-N 3.03Å; K37-T41 PolarHBondContact O-OG1 3.39Å; K37-F60 HydrophobicContact CB-CE2 4.16Å; K37-F60 HydrophobicContact CB-CZ 3.83Å; K37-Q64 VanDerWaalsContact CD-OE1 3.3Å |
| 38 | R | 87.6 | Confident | 87.2 | Confident | 2 Ų | 2 | 84.9 Ų | 84.9 | 1% | 0.008 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61 | -42.4 | 177.7 | -178.5 | 60.8 | -173.6 | 168 | 2.2 | 111.2 | V27 V34 Q35 Q36 K40 T41 V42 S52 D56 F60 | V27-R38 HydrophobicContact CG1-CB 4.45Å; V27-R38 HydrophobicContact CG1-CG 4.09Å; V27-R38 HydrophobicContact CG2-CG 3.86Å; V34-R38 PolarHBondContact O-N 3.34Å; Q35-R38 WeakPolarHBondContact O-CB 2.94Å; Q35-R38 PolarHBondContact O-N 2.66Å; Q35-R38 VanDerWaalsContact O-N 3.1Å; Q36-R38 VanDerWaalsContact C-N 3.35Å; R38-K40 VanDerWaalsContact C-N 3.26Å; R38-K40 PolarHBondContact O-N 2.98Å; R38-T41 CarbonylContact O-C 3.58Å; R38-T41 WeakPolarHBondContact O-CA 3.46Å; R38-T41 WeakPolarHBondContact O-CB 3.49Å; R38-T41 PolarHBondContact O-N 3.31Å; R38-V42 HydrophobicContact CG-CG2 4.11Å; R38-V42 WeakPolarHBondContact O-CG2 3.13Å; R38-V42 PolarHBondContact O-N 3.43Å; R38-S52 PolarHBondContact NH2-OG 3.41Å; R38-D56 PolarHBondContact NH1-O 3.34Å; R38-F60 HydrophobicContact CB-CD1 4.23Å; R38-F60 HydrophobicContact CB-CE1 3.61Å; R38-F60 HydrophobicContact CB-CE2 4.34Å; R38-F60 HydrophobicContact CB-CZ 3.68Å; R38-F60 HydrophobicContact CG-CD1 4.37Å; R38-F60 HydrophobicContact CG-CE1 4.23Å; R38-F60 VanDerWaalsContact N-CZ 3.31Å; R38-F60 VanDerWaalsContact NH1-CB 3.29Å |
| 39 | L | 90.5 | Very high | 87.4 | Confident | 122 Ų | 122 | 82.7 Ų | 82.7 | 64% | 0.639 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -52.8 | -43.7 | 175.4 | -114.1 | 160.4 | 0 | 0 | 0 | 111.8 | Q35 Q36 K37 T41 V42 Y43 | Q35-L39 PolarHBondContact O-N 2.56Å; Q36-L39 WeakPolarHBondContact O-CB 3.42Å; Q36-L39 PolarHBondContact O-N 3.33Å; K37-L39 VanDerWaalsContact C-N 3.31Å; K37-L39 PolarHBondContact O-N 3.4Å; L39-T41 VanDerWaalsContact C-N 3.34Å; L39-T41 PolarHBondContact O-N 3.27Å; L39-V42 PolarHBondContact O-N 3.3Å; L39-Y43 WeakPolarHBondContact O-CB 3.48Å; L39-Y43 PolarHBondContact O-N 3.46Å |
| 40 | K | 91.2 | Very high | 87.8 | Confident | 152 Ų | 152 | 82.9 Ų | 82.9 | 66% | 0.661 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.7 | -39.9 | 175.2 | -63.2 | -178.7 | -179.4 | -176.4 | 0 | 112.3 | Q36 K37 R38 K44 | Q36-K40 PolarHBondContact O-N 3.49Å; K37-K40 WeakPolarHBondContact O-CB 3.45Å; K37-K40 PolarHBondContact O-N 3.2Å; R38-K40 VanDerWaalsContact C-N 3.26Å; R38-K40 PolarHBondContact O-N 2.98Å; K40-K44 WeakPolarHBondContact O-CG 3.05Å; K40-K44 PolarHBondContact O-N 2.81Å |
| 41 | T | 90.2 | Very high | 88 | Confident | 46 Ų | 46 | 89.5 Ų | 89.5 | 28% | 0.282 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.3 | -45.2 | 176.9 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | K37 R38 L39 Y43 K44 I45 | K37-T41 PolarHBondContact O-N 3.03Å; K37-T41 PolarHBondContact O-OG1 3.39Å; R38-T41 CarbonylContact O-C 3.58Å; R38-T41 WeakPolarHBondContact O-CA 3.46Å; R38-T41 WeakPolarHBondContact O-CB 3.49Å; R38-T41 PolarHBondContact O-N 3.31Å; L39-T41 VanDerWaalsContact C-N 3.34Å; L39-T41 PolarHBondContact O-N 3.27Å; T41-Y43 VanDerWaalsContact C-N 3.34Å; T41-Y43 PolarHBondContact O-N 3.27Å; T41-K44 WeakPolarHBondContact O-CB 3.24Å; T41-K44 PolarHBondContact O-N 3.25Å; T41-K44 VanDerWaalsContact O-N 3.15Å; T41-I45 HydrophobicContact CG2-CD1 4.08Å; T41-I45 WeakPolarHBondContact O-CG1 3.38Å; T41-I45 PolarHBondContact O-N 2.61Å |
| 42 | V | 89.8 | Confident | 88.3 | Confident | 40 Ų | 40 | 88.4 Ų | 88.4 | 24% | 0.242 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61 | -44.3 | 177.3 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | R38 L39 K44 I45 T46 | R38-V42 HydrophobicContact CG-CG2 4.11Å; R38-V42 WeakPolarHBondContact O-CG2 3.13Å; R38-V42 PolarHBondContact O-N 3.43Å; L39-V42 PolarHBondContact O-N 3.3Å; V42-K44 VanDerWaalsContact C-N 3.27Å; V42-K44 PolarHBondContact O-N 3.27Å; V42-I45 PolarHBondContact O-N 2.46Å; V42-T46 PolarHBondContact O-N 3.45Å; V42-T46 PolarHBondContact O-OG1 3.35Å; V42-T46 VanDerWaalsContact O-OG1 3.08Å |
| 43 | Y | 90.5 | Very high | 88.4 | Confident | 149 Ų | 149 | 86.3 Ų | 86.3 | 58% | 0.584 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -55.4 | -40.9 | 175 | 177.7 | -97.1 | 0 | 0 | 0 | 112.7 | L39 T41 R47 | L39-Y43 WeakPolarHBondContact O-CB 3.48Å; L39-Y43 PolarHBondContact O-N 3.46Å; T41-Y43 VanDerWaalsContact C-N 3.34Å; T41-Y43 PolarHBondContact O-N 3.27Å; Y43-R47 VanDerWaalsContact O-CB 3.27Å; Y43-R47 WeakPolarHBondContact O-CB 3.4Å; Y43-R47 PolarHBondContact O-N 3.32Å |
| 44 | K | 91.6 | Very high | 88.5 | Confident | 159 Ų | 159 | 83.2 Ų | 83.2 | 69% | 0.691 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.2 | -40.4 | 175.5 | -69.8 | 176.4 | -179.7 | -174.6 | 0 | 112.5 | K40 T41 V42 G48 | K40-K44 WeakPolarHBondContact O-CG 3.05Å; K40-K44 PolarHBondContact O-N 2.81Å; T41-K44 WeakPolarHBondContact O-CB 3.24Å; T41-K44 PolarHBondContact O-N 3.25Å; T41-K44 VanDerWaalsContact O-N 3.15Å; V42-K44 VanDerWaalsContact C-N 3.27Å; V42-K44 PolarHBondContact O-N 3.27Å; K44-G48 PolarHBondContact O-N 3.34Å |
| 45 | I | 89.2 | Confident | 88.4 | Confident | 30 Ų | 30 | 85.3 Ų | 85.3 | 15% | 0.154 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64.9 | -49.1 | 178.2 | -65.9 | 165.9 | 0 | 0 | 0 | 110.1 | T41 V42 R47 G48 R50 D56 | T41-I45 HydrophobicContact CG2-CD1 4.08Å; T41-I45 WeakPolarHBondContact O-CG1 3.38Å; T41-I45 PolarHBondContact O-N 2.61Å; V42-I45 PolarHBondContact O-N 2.46Å; I45-R47 VanDerWaalsContact C-N 3.35Å; I45-R47 PolarHBondContact O-N 3.3Å; I45-G48 WeakPolarHBondContact O-CA 3.22Å; I45-G48 PolarHBondContact O-N 2.84Å; I45-R50 CarbonylContact C-O 3.5Å; I45-R50 HydrophobicContact CG2-CB 4.14Å; I45-R50 HydrophobicContact CG2-CG 3.78Å; I45-R50 WeakPolarHBondContact CG2-O 3.3Å; I45-R50 PolarHBondContact O-N 3.26Å; I45-D56 HydrophobicContact CD1-CB 3.94Å |
| 46 | T | 88.3 | Confident | 88.4 | Confident | 85 Ų | 85 | 84.8 Ų | 84.8 | 52% | 0.521 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 178.8 | -54 | 0 | 0 | 0 | 0 | 112 | V42 G48 G49 R50 | V42-T46 PolarHBondContact O-N 3.45Å; V42-T46 PolarHBondContact O-OG1 3.35Å; V42-T46 VanDerWaalsContact O-OG1 3.08Å; T46-G48 PolarHBondContact O-N 2.8Å; T46-G49 PolarHBondContact O-N 3.48Å; T46-R50 WeakPolarHBondContact CA-O 3.46Å |
| 47 | R | 90.6 | Very high | 88.2 | Confident | 200 Ų | 200 | 79 Ų | 79 | 76% | 0.755 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.5 | -26.8 | 173.6 | -176.2 | 174.1 | 174.5 | 164 | -1.5 | 112.7 | Y43 I45 G49 | Y43-R47 VanDerWaalsContact O-CB 3.27Å; Y43-R47 WeakPolarHBondContact O-CB 3.4Å; Y43-R47 PolarHBondContact O-N 3.32Å; I45-R47 VanDerWaalsContact C-N 3.35Å; I45-R47 PolarHBondContact O-N 3.3Å; R47-G49 PolarHBondContact O-N 3.12Å |
| 48 | G | 89 | Confident | 87.8 | Confident | 65 Ų | 65 | 75.1 Ų | 75.1 | 67% | 0.67 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 4.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | K44 I45 T46 R50 | K44-G48 PolarHBondContact O-N 3.34Å; I45-G48 WeakPolarHBondContact O-CA 3.22Å; I45-G48 PolarHBondContact O-N 2.84Å; T46-G48 PolarHBondContact O-N 2.8Å; G48-R50 VanDerWaalsContact C-N 3.3Å; G48-R50 PolarHBondContact O-N 3.01Å |
| 49 | G | 88 | Confident | 87.7 | Confident | 76 Ų | 76 | 77.9 Ų | 77.9 | 78% | 0.784 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 13.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T46 R47 | T46-G49 PolarHBondContact O-N 3.48Å; R47-G49 PolarHBondContact O-N 3.12Å |
| 50 | R | 89.5 | Confident | 87.6 | Confident | 117 Ų | 117 | 72.4 Ų | 72.4 | 44% | 0.442 | 39% | 0.389 | S | S | . | . | trans | -111.9 | 149.1 | 178.2 | 161.6 | 175.7 | 165.7 | 146.3 | -10.1 | 110.3 | I45 T46 G48 D56 | I45-R50 CarbonylContact C-O 3.5Å; I45-R50 HydrophobicContact CG2-CB 4.14Å; I45-R50 HydrophobicContact CG2-CG 3.78Å; I45-R50 WeakPolarHBondContact CG2-O 3.3Å; I45-R50 PolarHBondContact O-N 3.26Å; T46-R50 WeakPolarHBondContact CA-O 3.46Å; G48-R50 VanDerWaalsContact C-N 3.3Å; G48-R50 PolarHBondContact O-N 3.01Å; R50-D56 IonicContact CZ-OD1 2.78Å; R50-D56 IonicContact CZ-OD2 3.38Å; R50-D56 IonicContact NE-OD2 2.82Å; R50-D56 PolarHBondContact NE-OD2 3.07Å; R50-D56 IonicContact NH2-OD1 3.5Å; R50-D56 PolarHBondContact NH2-OD1 3.22Å; R50-D56 IonicContact NH2-OD2 3.8Å; R50-D56 PolarHBondContact NH2-OD2 3.31Å | ||
| 51 | E | 84.8 | Confident | 87.2 | Confident | 148 Ų | 148 | 66 Ų | 66 | 69% | 0.692 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -80.9 | 146.4 | 167.2 | -65.8 | -172.3 | 160.1 | 0 | 0 | 111.6 | L53 | E51-L53 PolarHBondContact O-N 3.4Š|
| 52 | S | 86.6 | Confident | 86.8 | Confident | 16 Ų | 16 | 68.2 Ų | 68.2 | 11% | 0.112 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 125.7 | 169.9 | 169.7 | 0 | 0 | 0 | 0 | 108.4 | I23 R38 | I23-S52 WeakPolarHBondContact CD1-O 3.23Å; R38-S52 PolarHBondContact NH2-OG 3.41Å |
| 53 | L | 87.2 | Confident | 86.4 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 27% | 0.272 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -99.2 | 165.9 | 173.7 | -60.7 | -175.9 | 0 | 0 | 0 | 111.1 | N18 E51 A55 D56 V57 | N18-L53 HydrophobicContact CB-CD2 4.18Å; N18-L53 WeakPolarHBondContact OD1-CB 3.44Å; E51-L53 PolarHBondContact O-N 3.4Å; L53-A55 PolarHBondContact O-N 2.85Å; L53-D56 PolarHBondContact N-OD2 3.36Å; L53-D56 WeakPolarHBondContact O-CB 3.39Å; L53-D56 PolarHBondContact O-N 3.23Å; L53-V57 PolarHBondContact O-N 3.35Å |
| 54 | F | 80.8 | Confident | 86 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 8% | 0.083 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -54.8 | -40.4 | 172.2 | 179.1 | -97.7 | 0 | 0 | 0 | 112 | L8 L17 N18 M26 D56 V57 T58 | L8-F54 HydrophobicContact CD1-CZ 4.38Å; L17-F54 HydrophobicContact CB-CB 3.98Å; L17-F54 HydrophobicContact CB-CD1 4.48Å; L17-F54 HydrophobicContact CB-CD2 4.15Å; L17-F54 HydrophobicContact CB-CG 3.97Å; L17-F54 HydrophobicContact CD1-CD1 4.25Å; L17-F54 HydrophobicContact CD1-CE1 4.38Å; L17-F54 HydrophobicContact CD2-CD2 4.22Å; L17-F54 HydrophobicContact CD2-CE2 4.08Å; L17-F54 HydrophobicContact CD2-CZ 4.36Å; N18-F54 WeakPolarHBondContact OD1-CB 3.44Å; N18-F54 PolarHBondContact OD1-N 2.85Å; M26-F54 HydrophobicContact CE-CD2 3.89Å; M26-F54 HydrophobicContact CE-CE2 3.3Å; M26-F54 HydrophobicContact CE-CZ 4Å; M26-F54 HydrophobicContact SD-CD2 3.42Å; M26-F54 WeakPolarHBondContact SD-CD2 3.38Å; M26-F54 HydrophobicContact SD-CE2 3.35Å; M26-F54 WeakPolarHBondContact SD-CE2 3.44Å; F54-D56 VanDerWaalsContact C-N 3.26Å; F54-D56 PolarHBondContact O-N 3.2Å; F54-V57 PolarHBondContact O-N 3.23Å; F54-V57 VanDerWaalsContact O-N 3.15Å; F54-T58 HydrophobicContact CD1-CG2 3.97Å; F54-T58 HydrophobicContact CE1-CG2 3.53Å; F54-T58 HydrophobicContact CE2-CG2 4.2Å; F54-T58 HydrophobicContact CG-CG2 4.46Å; F54-T58 HydrophobicContact CZ-CG2 3.65Å; F54-T58 WeakPolarHBondContact O-CG2 3.22Å; F54-T58 PolarHBondContact O-N 3.19Å; F54-T58 PolarHBondContact O-OG1 2.8Å; F54-T58 VanDerWaalsContact O-OG1 3.11Å |
| 55 | A | 83.7 | Confident | 85.2 | Confident | 53 Ų | 53 | 58.5 Ų | 58.5 | 44% | 0.438 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.7 | -38.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L53 V57 T58 A59 | L53-A55 PolarHBondContact O-N 2.85Å; A55-V57 PolarHBondContact O-N 3.06Å; A55-T58 WeakPolarHBondContact CA-OG1 3.5Å; A55-T58 PolarHBondContact O-OG1 3.07Å; A55-A59 VanDerWaalsContact O-CB 3.23Å; A55-A59 WeakPolarHBondContact O-CB 3.36Å; A55-A59 PolarHBondContact O-N 3.2Å |
| 56 | D | 88.4 | Confident | 84.6 | Confident | 34 Ų | 34 | 61.2 Ų | 61.2 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.7 | -35.4 | 179.5 | -59.5 | -39.3 | 0 | 0 | 0 | 111.7 | R38 I45 R50 L53 F54 F60 | R38-D56 PolarHBondContact NH1-O 3.34Å; I45-D56 HydrophobicContact CD1-CB 3.94Å; R50-D56 IonicContact CZ-OD1 2.78Å; R50-D56 IonicContact CZ-OD2 3.38Å; R50-D56 IonicContact NE-OD2 2.82Å; R50-D56 PolarHBondContact NE-OD2 3.07Å; R50-D56 IonicContact NH2-OD1 3.5Å; R50-D56 PolarHBondContact NH2-OD1 3.22Å; R50-D56 IonicContact NH2-OD2 3.8Å; R50-D56 PolarHBondContact NH2-OD2 3.31Å; L53-D56 PolarHBondContact N-OD2 3.36Å; L53-D56 WeakPolarHBondContact O-CB 3.39Å; L53-D56 PolarHBondContact O-N 3.23Å; F54-D56 VanDerWaalsContact C-N 3.26Å; F54-D56 PolarHBondContact O-N 3.2Å; D56-F60 VanDerWaalsContact O-CB 3.24Å; D56-F60 WeakPolarHBondContact O-CB 3.46Å; D56-F60 PolarHBondContact O-N 3.36Å; D56-F60 VanDerWaalsContact O-N 3.13Å |
| 57 | V | 84.8 | Confident | 83.8 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70 | -47.5 | 177.5 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | I23 M26 L53 F54 A55 F60 V61 | I23-V57 HydrophobicContact CG2-CG2 3.85Å; M26-V57 HydrophobicContact CB-CG1 3.99Å; M26-V57 HydrophobicContact CE-CG1 4.23Å; M26-V57 HydrophobicContact SD-CG1 4.22Å; L53-V57 PolarHBondContact O-N 3.35Å; F54-V57 PolarHBondContact O-N 3.23Å; F54-V57 VanDerWaalsContact O-N 3.15Å; A55-V57 PolarHBondContact O-N 3.06Å; V57-F60 WeakPolarHBondContact O-CB 3.3Å; V57-F60 PolarHBondContact O-N 3.36Å; V57-V61 HydrophobicContact CG1-CG2 4.44Å; V57-V61 WeakPolarHBondContact O-CG2 3.46Å; V57-V61 PolarHBondContact O-N 3.23Å |
| 58 | T | 81.7 | Confident | 83 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 7% | 0.074 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | -179.5 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | M1 M26 F54 A55 F60 V61 K62 M194 | M1-T58 HydrophobicContact SD-CG2 4.02Å; M26-T58 HydrophobicContact CE-CG2 4.17Å; F54-T58 HydrophobicContact CD1-CG2 3.97Å; F54-T58 HydrophobicContact CE1-CG2 3.53Å; F54-T58 HydrophobicContact CE2-CG2 4.2Å; F54-T58 HydrophobicContact CG-CG2 4.46Å; F54-T58 HydrophobicContact CZ-CG2 3.65Å; F54-T58 WeakPolarHBondContact O-CG2 3.22Å; F54-T58 PolarHBondContact O-N 3.19Å; F54-T58 PolarHBondContact O-OG1 2.8Å; F54-T58 VanDerWaalsContact O-OG1 3.11Å; A55-T58 WeakPolarHBondContact CA-OG1 3.5Å; A55-T58 PolarHBondContact O-OG1 3.07Å; T58-F60 VanDerWaalsContact C-N 3.33Å; T58-F60 PolarHBondContact O-N 2.98Å; T58-V61 PolarHBondContact O-N 2.84Å; T58-K62 WeakPolarHBondContact O-CB 3.44Å; T58-K62 PolarHBondContact O-N 2.89Å; T58-M194 HydrophobicContact CG2-CE 3.73Å |
| 59 | A | 86.4 | Confident | 82 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 50% | 0.496 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A55 K62 E63 | A55-A59 VanDerWaalsContact O-CB 3.23Å; A55-A59 WeakPolarHBondContact O-CB 3.36Å; A55-A59 PolarHBondContact O-N 3.2Å; A59-K62 WeakPolarHBondContact O-CB 3.27Å; A59-K62 PolarHBondContact O-N 2.74Å; A59-E63 WeakPolarHBondContact O-CB 3.38Å; A59-E63 PolarHBondContact O-N 3.47Å |
| 60 | F | 87.8 | Confident | 81.4 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 177.3 | 171.9 | -92.5 | 0 | 0 | 0 | 112.6 | L30 V34 K37 R38 D56 V57 T58 K62 E63 Q64 | L30-F60 HydrophobicContact CD1-CD1 4.5Å; L30-F60 HydrophobicContact CD1-CE1 4.14Å; V34-F60 HydrophobicContact CG1-CE1 3.59Å; V34-F60 HydrophobicContact CG1-CZ 4.01Å; K37-F60 HydrophobicContact CB-CE2 4.16Å; K37-F60 HydrophobicContact CB-CZ 3.83Å; R38-F60 HydrophobicContact CB-CD1 4.23Å; R38-F60 HydrophobicContact CB-CE1 3.61Å; R38-F60 HydrophobicContact CB-CE2 4.34Å; R38-F60 HydrophobicContact CB-CZ 3.68Å; R38-F60 HydrophobicContact CG-CD1 4.37Å; R38-F60 HydrophobicContact CG-CE1 4.23Å; R38-F60 VanDerWaalsContact N-CZ 3.31Å; R38-F60 VanDerWaalsContact NH1-CB 3.29Å; D56-F60 VanDerWaalsContact O-CB 3.24Å; D56-F60 WeakPolarHBondContact O-CB 3.46Å; D56-F60 PolarHBondContact O-N 3.36Å; D56-F60 VanDerWaalsContact O-N 3.13Å; V57-F60 WeakPolarHBondContact O-CB 3.3Å; V57-F60 PolarHBondContact O-N 3.36Å; T58-F60 VanDerWaalsContact C-N 3.33Å; T58-F60 PolarHBondContact O-N 2.98Å; F60-K62 VanDerWaalsContact C-N 3.28Å; F60-K62 PolarHBondContact O-N 3.42Å; F60-E63 PolarHBondContact O-N 3.04Å; F60-Q64 HydrophobicContact CD1-CG 4.26Å; F60-Q64 HydrophobicContact CE1-CG 3.81Å; F60-Q64 HydrophobicContact CE2-CG 4.14Å; F60-Q64 HydrophobicContact CZ-CG 3.73Å; F60-Q64 WeakPolarHBondContact O-CG 3.44Å; F60-Q64 PolarHBondContact O-N 2.87Å |
| 61 | V | 83.3 | Confident | 80.8 | Confident | 16 Ų | 16 | 56.9 Ų | 56.9 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 178.1 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | M1 L30 V57 T58 Q64 A65 M190 | M1-V61 HydrophobicContact CE-CB 3.83Å; M1-V61 HydrophobicContact CE-CG1 3.6Å; M1-V61 HydrophobicContact SD-CB 4.38Å; L30-V61 HydrophobicContact CD1-CG2 4.37Å; L30-V61 HydrophobicContact CD2-CG2 3.78Å; V57-V61 HydrophobicContact CG1-CG2 4.44Å; V57-V61 WeakPolarHBondContact O-CG2 3.46Å; V57-V61 PolarHBondContact O-N 3.23Å; T58-V61 PolarHBondContact O-N 2.84Å; V61-Q64 PolarHBondContact O-N 3.19Å; V61-A65 PolarHBondContact O-N 2.97Å; V61-M190 HydrophobicContact CG1-SD 4.04Å |
| 62 | K | 80 | Confident | 80.5 | Confident | 93 Ų | 93 | 56.9 Ų | 56.9 | 40% | 0.404 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 175.6 | -175.1 | -178.9 | 176.5 | -175.2 | 0 | 110.9 | M1 T58 A59 F60 Q64 A65 D66 | M1-K62 HydrophobicContact CE-CB 3.94Å; T58-K62 WeakPolarHBondContact O-CB 3.44Å; T58-K62 PolarHBondContact O-N 2.89Å; A59-K62 WeakPolarHBondContact O-CB 3.27Å; A59-K62 PolarHBondContact O-N 2.74Å; F60-K62 VanDerWaalsContact C-N 3.28Å; F60-K62 PolarHBondContact O-N 3.42Å; K62-Q64 VanDerWaalsContact C-N 3.33Å; K62-Q64 PolarHBondContact O-N 3.24Å; K62-A65 WeakPolarHBondContact O-CB 3.42Å; K62-A65 PolarHBondContact O-N 3.05Å; K62-A65 VanDerWaalsContact O-N 3.1Å; K62-D66 PolarHBondContact O-N 3.47Å |
| 63 | E | 82.8 | Confident | 79.9 | Confident | 104 Ų | 104 | 56.6 Ų | 56.6 | 49% | 0.486 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.7 | -43.5 | 177 | -169.5 | -163.3 | 151.1 | 0 | 0 | 112 | A59 F60 A65 D66 M67 | A59-E63 WeakPolarHBondContact O-CB 3.38Å; A59-E63 PolarHBondContact O-N 3.47Å; F60-E63 PolarHBondContact O-N 3.04Å; E63-A65 PolarHBondContact O-N 2.86Å; E63-D66 PolarHBondContact O-N 3.48Å; E63-M67 HydrophobicContact CG-CE 4.13Å; E63-M67 WeakPolarHBondContact O-CB 3.23Å; E63-M67 WeakPolarHBondContact O-CG 3.35Å; E63-M67 PolarHBondContact O-N 3.31Å |
| 64 | Q | 80.8 | Confident | 78.9 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 9% | 0.093 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 175.8 | -64.8 | -60.9 | -47.2 | 0 | 0 | 112.1 | V34 K37 F60 V61 K62 M67 V68 | V34-Q64 HydrophobicContact CG1-CG 4.08Å; K37-Q64 VanDerWaalsContact CD-OE1 3.3Å; F60-Q64 HydrophobicContact CD1-CG 4.26Å; F60-Q64 HydrophobicContact CE1-CG 3.81Å; F60-Q64 HydrophobicContact CE2-CG 4.14Å; F60-Q64 HydrophobicContact CZ-CG 3.73Å; F60-Q64 WeakPolarHBondContact O-CG 3.44Å; F60-Q64 PolarHBondContact O-N 2.87Å; V61-Q64 PolarHBondContact O-N 3.19Å; K62-Q64 VanDerWaalsContact C-N 3.33Å; K62-Q64 PolarHBondContact O-N 3.24Å; Q64-M67 HydrophobicContact CG-CE 4.31Å; Q64-M67 PolarHBondContact O-N 3.46Å; Q64-V68 WeakPolarHBondContact O-CB 3.46Å; Q64-V68 VanDerWaalsContact O-CG2 3.24Å; Q64-V68 WeakPolarHBondContact O-CG2 3.39Å; Q64-V68 PolarHBondContact O-N 3.34Å |
| 65 | A | 76.6 | Confident | 78.5 | Confident | 21 Ų | 21 | 63.3 Ų | 63.3 | 17% | 0.174 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V61 K62 E63 M67 V68 N69 | V61-A65 PolarHBondContact O-N 2.97Å; K62-A65 WeakPolarHBondContact O-CB 3.42Å; K62-A65 PolarHBondContact O-N 3.05Å; K62-A65 VanDerWaalsContact O-N 3.1Å; E63-A65 PolarHBondContact O-N 2.86Å; A65-M67 PolarHBondContact O-N 3.18Å; A65-V68 PolarHBondContact O-N 3.05Å; A65-N69 VanDerWaalsContact O-CG 3.25Å; A65-N69 PolarHBondContact O-N 3.44Å; A65-N69 VanDerWaalsContact O-N 3.08Å; A65-N69 PolarHBondContact O-ND2 3.29Å |
| 66 | D | 74.9 | Confident | 78 | Confident | 87 Ų | 87 | 66.4 Ų | 66.4 | 47% | 0.465 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 177.7 | -66.7 | -20.1 | 0 | 0 | 0 | 110.8 | K62 E63 V68 N69 T70 | K62-D66 PolarHBondContact O-N 3.47Å; E63-D66 PolarHBondContact O-N 3.48Å; D66-V68 PolarHBondContact O-N 3.44Å; D66-N69 PolarHBondContact O-N 3.04Å; D66-N69 VanDerWaalsContact O-N 3.17Å; D66-T70 WeakPolarHBondContact O-CG2 3.24Å; D66-T70 PolarHBondContact O-N 2.92Å |
| 67 | M | 72.7 | Confident | 76.8 | Confident | 72 Ų | 72 | 67.5 Ų | 67.5 | 36% | 0.355 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 175.6 | -80.4 | -167.8 | -69.1 | 0 | 0 | 113.1 | E63 Q64 A65 N69 T70 G73 | E63-M67 HydrophobicContact CG-CE 4.13Å; E63-M67 WeakPolarHBondContact O-CB 3.23Å; E63-M67 WeakPolarHBondContact O-CG 3.35Å; E63-M67 PolarHBondContact O-N 3.31Å; Q64-M67 HydrophobicContact CG-CE 4.31Å; Q64-M67 PolarHBondContact O-N 3.46Å; A65-M67 PolarHBondContact O-N 3.18Å; M67-N69 VanDerWaalsContact C-N 3.27Å; M67-N69 PolarHBondContact O-N 3.14Å; M67-T70 WeakPolarHBondContact O-CB 3.33Å; M67-T70 WeakPolarHBondContact O-CG2 3.27Å; M67-T70 PolarHBondContact O-N 3.35Å; M67-T70 PolarHBondContact O-OG1 3.15Å; M67-G73 WeakPolarHBondContact O-CA 3.08Å |
| 68 | V | 72.9 | Confident | 75.5 | Confident | 37 Ų | 37 | 77.5 Ų | 77.5 | 22% | 0.224 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.4 | -35.1 | 177.9 | 165.2 | 0 | 0 | 0 | 0 | 111.4 | Q64 A65 D66 T70 G73 L74 | Q64-V68 WeakPolarHBondContact O-CB 3.46Å; Q64-V68 VanDerWaalsContact O-CG2 3.24Å; Q64-V68 WeakPolarHBondContact O-CG2 3.39Å; Q64-V68 PolarHBondContact O-N 3.34Å; A65-V68 PolarHBondContact O-N 3.05Å; D66-V68 PolarHBondContact O-N 3.44Å; V68-T70 VanDerWaalsContact C-N 3.27Å; V68-T70 PolarHBondContact O-N 3.05Å; V68-G73 CarbonylContact O-C 3.31Å; V68-G73 VanDerWaalsContact O-C 3.31Å; V68-G73 WeakPolarHBondContact O-CA 3.47Å; V68-L74 PolarHBondContact O-N 3.38Å |
| 69 | N | 69.4 | Low | 73.7 | Confident | 95 Ų | 95 | 79.9 Ų | 79.9 | 51% | 0.508 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -79.5 | -6.6 | 179.9 | -67.8 | -23.9 | 0 | 0 | 0 | 113.6 | A65 D66 M67 | A65-N69 VanDerWaalsContact O-CG 3.25Å; A65-N69 PolarHBondContact O-N 3.44Å; A65-N69 VanDerWaalsContact O-N 3.08Å; A65-N69 PolarHBondContact O-ND2 3.29Å; D66-N69 PolarHBondContact O-N 3.04Å; D66-N69 VanDerWaalsContact O-N 3.17Å; M67-N69 VanDerWaalsContact C-N 3.27Å; M67-N69 PolarHBondContact O-N 3.14Å |
| 70 | T | 74 | Confident | 71.9 | Confident | 61 Ų | 61 | 82 Ų | 82 | 37% | 0.374 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -67.2 | 157.5 | 172.7 | 68.6 | 0 | 0 | 0 | 0 | 111.6 | D66 M67 V68 Y72 G73 L74 | D66-T70 WeakPolarHBondContact O-CG2 3.24Å; D66-T70 PolarHBondContact O-N 2.92Å; M67-T70 WeakPolarHBondContact O-CB 3.33Å; M67-T70 WeakPolarHBondContact O-CG2 3.27Å; M67-T70 PolarHBondContact O-N 3.35Å; M67-T70 PolarHBondContact O-OG1 3.15Å; V68-T70 VanDerWaalsContact C-N 3.27Å; V68-T70 PolarHBondContact O-N 3.05Å; T70-Y72 PolarHBondContact O-N 3.25Å; T70-Y72 VanDerWaalsContact O-N 3.12Å; T70-G73 PolarHBondContact O-N 3.18Å; T70-G73 PolarHBondContact OG1-N 3.29Å; T70-L74 WeakPolarHBondContact O-CG 3.37Å; T70-L74 PolarHBondContact O-N 3.15Å |
| 71 | R | 78.2 | Confident | 69.7 | Low | 186 Ų | 186 | 89.4 Ų | 89.4 | 70% | 0.702 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -49.9 | -38.3 | 172.9 | 67 | -173.6 | -69.3 | 176.2 | -0.6 | 112.8 | L75 | R71-L75 WeakPolarHBondContact O-CG 3.37Å; R71-L75 PolarHBondContact O-N 2.82Å |
| 72 | Y | 78.1 | Confident | 67.6 | Low | 149 Ų | 149 | 94.5 Ų | 94.5 | 58% | 0.584 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -79.6 | -37.1 | 179.2 | -56.2 | -74.2 | 0 | 0 | 0 | 112.1 | T70 L74 L75 V76 | T70-Y72 PolarHBondContact O-N 3.25Å; T70-Y72 VanDerWaalsContact O-N 3.12Å; Y72-L74 VanDerWaalsContact C-N 3.27Å; Y72-L74 PolarHBondContact O-N 3.33Å; Y72-L75 HydrophobicContact CD1-CD1 4.38Å; Y72-L75 WeakPolarHBondContact O-CB 3.22Å; Y72-L75 PolarHBondContact O-N 2.98Å; Y72-L75 VanDerWaalsContact O-N 3.1Å; Y72-V76 WeakPolarHBondContact O-CG2 3.31Å; Y72-V76 PolarHBondContact O-N 3.44Å |
| 73 | G | 73.4 | Confident | 66 | Low | 10 Ų | 10 | 97.1 Ų | 97.1 | 10% | 0.103 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -59 | -39 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M67 V68 T70 N77 | M67-G73 WeakPolarHBondContact O-CA 3.08Å; V68-G73 CarbonylContact O-C 3.31Å; V68-G73 VanDerWaalsContact O-C 3.31Å; V68-G73 WeakPolarHBondContact O-CA 3.47Å; T70-G73 PolarHBondContact O-N 3.18Å; T70-G73 PolarHBondContact OG1-N 3.29Å; G73-N77 VanDerWaalsContact O-CB 3.27Å; G73-N77 WeakPolarHBondContact O-CB 3.19Å; G73-N77 PolarHBondContact O-N 2.73Å; G73-N77 PolarHBondContact O-ND2 3.01Å |
| 74 | L | 66.6 | Low | 63.9 | Low | 95 Ų | 95 | 99.2 Ų | 99.2 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.9 | -35.6 | 174.1 | -66.1 | 176.3 | 0 | 0 | 0 | 112.6 | V68 T70 Y72 R78 | V68-L74 PolarHBondContact O-N 3.38Å; T70-L74 WeakPolarHBondContact O-CG 3.37Å; T70-L74 PolarHBondContact O-N 3.15Å; Y72-L74 VanDerWaalsContact C-N 3.27Å; Y72-L74 PolarHBondContact O-N 3.33Å; L74-R78 VanDerWaalsContact O-CB 3.28Å; L74-R78 WeakPolarHBondContact O-CB 3.34Å; L74-R78 WeakPolarHBondContact O-CG 3.26Å; L74-R78 PolarHBondContact O-N 3.28Å |
| 75 | L | 72.9 | Confident | 62.2 | Low | 116 Ų | 116 | 108 Ų | 108 | 61% | 0.607 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.8 | -48.3 | 175.3 | -67.6 | 171.1 | 0 | 0 | 0 | 111.5 | R71 Y72 N77 R78 | R71-L75 WeakPolarHBondContact O-CG 3.37Å; R71-L75 PolarHBondContact O-N 2.82Å; Y72-L75 HydrophobicContact CD1-CD1 4.38Å; Y72-L75 WeakPolarHBondContact O-CB 3.22Å; Y72-L75 PolarHBondContact O-N 2.98Å; Y72-L75 VanDerWaalsContact O-N 3.1Å; L75-N77 VanDerWaalsContact C-N 3.29Å; L75-N77 PolarHBondContact O-N 3.04Å; L75-R78 PolarHBondContact O-N 3.27Å |
| 76 | V | 71.8 | Confident | 60.5 | Low | 118 Ų | 118 | 113.8 Ų | 113.8 | 72% | 0.715 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.6 | -34.7 | 179.9 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | Y72 | Y72-V76 WeakPolarHBondContact O-CG2 3.31Å; Y72-V76 PolarHBondContact O-N 3.44Å |
| 77 | N | 64.1 | Low | 58.8 | Low | 57 Ų | 57 | 117.3 Ų | 117.3 | 31% | 0.305 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -85 | -10.1 | 178 | -71.8 | -56.4 | 0 | 0 | 0 | 114.5 | G73 L75 G79 R186 | G73-N77 VanDerWaalsContact O-CB 3.27Å; G73-N77 WeakPolarHBondContact O-CB 3.19Å; G73-N77 PolarHBondContact O-N 2.73Å; G73-N77 PolarHBondContact O-ND2 3.01Å; L75-N77 VanDerWaalsContact C-N 3.29Å; L75-N77 PolarHBondContact O-N 3.04Å; N77-G79 VanDerWaalsContact C-N 3.3Å; N77-R186 PolarHBondContact OD1-NH1 3.38Å; N77-R186 PolarHBondContact OD1-NH2 3.39Å |
| 78 | R | 56.3 | Low | 57 | Low | 212 Ų | 212 | 117 Ų | 117 | 80% | 0.8 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -16.4 | 174.4 | -102.7 | -176.3 | -177.1 | -135.9 | 1.8 | 113.2 | L74 L75 S80 | L74-R78 VanDerWaalsContact O-CB 3.28Å; L74-R78 WeakPolarHBondContact O-CB 3.34Å; L74-R78 WeakPolarHBondContact O-CG 3.26Å; L74-R78 PolarHBondContact O-N 3.28Å; L75-R78 PolarHBondContact O-N 3.27Å; R78-S80 PolarHBondContact O-N 2.76Å |
| 79 | G | 43.8 | Very low | 55.2 | Low | 62 Ų | 62 | 121.5 Ų | 121.5 | 64% | 0.639 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 92.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N77 | N77-G79 VanDerWaalsContact C-N 3.3Š|
| 80 | S | 48.9 | Very low | 53.8 | Low | 105 Ų | 105 | 124.8 Ų | 124.8 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172 | -1.3 | 147.4 | -164.9 | 0 | 0 | 0 | 0 | 113.5 | R78 T82 | R78-S80 PolarHBondContact O-N 2.76Å; S80-T82 PolarHBondContact O-N 3.42Å |
| 81 | N | 43.3 | Very low | 52.3 | Low | 161 Ų | 161 | 132.1 Ų | 132.1 | 86% | 0.861 | 70% | 0.697 | S | S | * | * | trans | -98.9 | 65.8 | 168.3 | -68.8 | -2.1 | 0 | 0 | 0 | 109.1 | D83 | N81-D83 PolarHBondContact O-N 3.29Š| ||
| 82 | T | 38.4 | Very low | 50 | Low | 124 Ų | 124 | 126.5 Ų | 126.5 | 76% | 0.761 | 70% | 0.697 | S | S | * | * | trans | -85.9 | 84.5 | 165.2 | 49.2 | 0 | 0 | 0 | 0 | 108.2 | S80 | S80-T82 PolarHBondContact O-N 3.42Š| ||
| 83 | D | 45.2 | Very low | 48.2 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 79% | 0.786 | 71% | 0.712 | S | S | * | * | trans | -124.6 | 91.9 | 152.3 | -73.7 | -42 | 0 | 0 | 0 | 106.8 | N81 | N81-D83 PolarHBondContact O-N 3.29Š| ||
| 84 | N | 40.7 | Very low | 46.6 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | 45.5 | 98.2 | 147.4 | -54.6 | -40.2 | 0 | 0 | 0 | 119.6 | ||||
| 85 | K | 43.2 | Very low | 45.2 | Very low | 205 Ų | 205 | 140 Ų | 140 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | -178.3 | 122.9 | 115.8 | -114 | 177 | 170.8 | 173.7 | 0 | 113.3 | |||||
| 86 | D | 41.8 | Very low | 43.6 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -39.9 | 135.5 | 162.2 | -67.3 | -66.4 | 0 | 0 | 0 | 113.4 | ||||
| 87 | I | 40.2 | Very low | 41.9 | Very low | 160 Ų | 160 | 139.6 Ų | 139.6 | 82% | 0.821 | 76% | 0.763 | S | S | * | * | 47.1 | 93.1 | 79.2 | -51.9 | 179.9 | 0 | 0 | 0 | 112.3 | |||||
| 88 | G | 33.1 | Very low | 41.1 | Very low | 65 Ų | 65 | 147.8 Ų | 147.8 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | trans | 96.1 | 134.8 | 138.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 89 | V | 35.5 | Very low | 40.4 | Very low | 132 Ų | 132 | 146 Ų | 146 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | 81.8 | 98.3 | 144.2 | -166.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 90 | L | 40.9 | Very low | 40.1 | Very low | 165 Ų | 165 | 147.6 Ų | 147.6 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | 29.9 | 97.9 | 129 | -63.6 | 159.8 | 0 | 0 | 0 | 118.2 | |||||
| 91 | K | 41.3 | Very low | 39.9 | Very low | 214 Ų | 214 | 147.4 Ų | 147.4 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -178 | 129.1 | 130.3 | -120.3 | 168.3 | 174.9 | 171.8 | 0 | 111.2 | ||||
| 92 | G | 31.5 | Very low | 39.8 | Very low | 68 Ų | 68 | 150.4 Ų | 150.4 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | -76.1 | 154.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 93 | R | 40.3 | Very low | 40.3 | Very low | 241 Ų | 241 | 151.8 Ų | 151.8 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | 174.6 | 113.2 | 125.6 | -92.9 | 179.2 | -167.5 | -157.2 | 4.3 | 109.5 | |||||
| 94 | I | 37.9 | Very low | 39.9 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | 30.6 | 113.3 | 137.4 | -32 | 178.7 | 0 | 0 | 0 | 117.7 | ||||
| 95 | N | 38.9 | Very low | 39.8 | Very low | 151 Ų | 151 | 151.7 Ų | 151.7 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | 174.9 | 128.4 | 116 | -88.2 | -20.1 | 0 | 0 | 0 | 113.1 | |||||
| 96 | A | 37.6 | Very low | 39.6 | Very low | 79 Ų | 79 | 147.4 Ų | 147.4 | 65% | 0.653 | 79% | 0.792 | S | S | * | * | trans | 61.9 | 118.2 | 143.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 97 | D | 37.9 | Very low | 39.1 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | 69.5 | 79.3 | 138.9 | -50.8 | -21.9 | 0 | 0 | 0 | 118.3 | ||||
| 98 | Y | 45.6 | Very low | 39 | Very low | 229 Ų | 229 | 144.8 Ų | 144.8 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | -179.8 | 122.4 | 125.2 | -117.7 | -106.2 | 0 | 0 | 0 | 109.7 | A100 | Y98-A100 PolarHBondContact O-N 3.05Š| |||
| 99 | N | 42.2 | Very low | 39.2 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | trans | -68.4 | 97 | -175.6 | -72.7 | -58.4 | 0 | 0 | 0 | 112.4 | ||||
| 100 | A | 37.1 | Very low | 39.2 | Very low | 94 Ų | 94 | 147.2 Ų | 147.2 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -102.4 | 103.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y98 R102 | Y98-A100 PolarHBondContact O-N 3.05Å; A100-R102 PolarHBondContact O-N 3.38Å | ||
| 101 | A | 45.7 | Very low | 39 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -69.9 | 101.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | I103 | A101-I103 PolarHBondContact O-N 3.38Š| ||
| 102 | R | 41.4 | Very low | 38.7 | Very low | 223 Ų | 223 | 144.1 Ų | 144.1 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | trans | -69.9 | 112.3 | 169.9 | -179.4 | 176.4 | 173.4 | 152.5 | -2.2 | 109.1 | A100 S104 | A100-R102 PolarHBondContact O-N 3.38Å; R102-S104 PolarHBondContact O-N 3.03Å; R102-S104 VanDerWaalsContact O-N 3.09Å | ||
| 103 | I | 47.9 | Very low | 39.1 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -74.5 | 97.5 | 173.2 | -59.7 | 173.9 | 0 | 0 | 0 | 107.9 | A101 | A101-I103 PolarHBondContact O-N 3.38Š| ||
| 104 | S | 38.3 | Very low | 38.8 | Very low | 77 Ų | 77 | 144.3 Ų | 144.3 | 54% | 0.538 | 80% | 0.795 | S | S | . | * | trans | -96.3 | 121.6 | 163.2 | -64.8 | 0 | 0 | 0 | 0 | 108 | R102 T106 | R102-S104 PolarHBondContact O-N 3.03Å; R102-S104 VanDerWaalsContact O-N 3.09Å; S104-T106 PolarHBondContact O-N 3.14Å | ||
| 105 | Y | 38.4 | Very low | 39 | Very low | 216 Ų | 216 | 142.8 Ų | 142.8 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -77.2 | 95.8 | 173.7 | 24.1 | -93.5 | 0 | 0 | 0 | 108.9 | ||||
| 106 | T | 37.8 | Very low | 39.1 | Very low | 115 Ų | 115 | 146.6 Ų | 146.6 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -128.8 | 111.8 | 163.9 | 48.5 | 0 | 0 | 0 | 0 | 107.7 | S104 S108 | S104-T106 PolarHBondContact O-N 3.14Å; T106-S108 PolarHBondContact O-N 2.98Å | ||
| 107 | C | 32.1 | Very low | 39.3 | Very low | 140 Ų | 140 | 148.3 Ų | 148.3 | 95% | 0.946 | 81% | 0.807 | S | S | * | * | trans | -63 | 102 | 169.6 | -68.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 108 | S | 38.3 | Very low | 40.3 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -142.1 | 117 | 161 | -64.6 | 0 | 0 | 0 | 0 | 107.5 | T106 | T106-S108 PolarHBondContact O-N 2.98Š| ||
| 109 | S | 37.2 | Very low | 41.8 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -54.7 | 159.5 | 173.8 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 110 | D | 34.3 | Very low | 43.7 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | 81.4 | 96.6 | 166.2 | -54.8 | -27 | 0 | 0 | 0 | 116.4 | ||||
| 111 | D | 38.4 | Very low | 45.9 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 89% | 0.888 | 72% | 0.721 | S | S | * | * | -156 | 124.3 | 124.6 | -98.2 | -33.7 | 0 | 0 | 0 | 112.7 | V113 | D111-V113 PolarHBondContact O-N 3.04Š| |||
| 112 | N | 34.8 | Very low | 47.7 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 79% | 0.786 | 69% | 0.688 | S | S | * | * | trans | -64.2 | 108.4 | -175.9 | -84.8 | -71.7 | 0 | 0 | 0 | 112.8 | ||||
| 113 | V | 39.8 | Very low | 49.9 | Very low | 133 Ų | 133 | 118.2 Ų | 118.2 | 81% | 0.806 | 67% | 0.666 | S | S | * | * | trans | -117.1 | 101.5 | 153.1 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | D111 S115 | D111-V113 PolarHBondContact O-N 3.04Å; V113-S115 PolarHBondContact O-N 2.69Å | ||
| 114 | H | 33.1 | Very low | 51.6 | Low | 181 Ų | 181 | 115.2 Ų | 115.2 | 84% | 0.838 | 66% | 0.659 | S | S | * | * | trans | -26.1 | 91.5 | 171 | -70 | 66.9 | 0 | 0 | 0 | 114.4 | ||||
| 115 | S | 42.2 | Very low | 53.7 | Low | 114 Ų | 114 | 112.8 Ų | 112.8 | 80% | 0.797 | 65% | 0.645 | S | S | * | * | trans | -112.5 | 101.3 | 161.8 | -130.2 | 0 | 0 | 0 | 0 | 106.3 | V113 S117 | V113-S115 PolarHBondContact O-N 2.69Å; S115-S117 PolarHBondContact O-N 2.85Å; S115-S117 VanDerWaalsContact O-N 3.11Å | ||
| 116 | R | 41.5 | Very low | 55.9 | Low | 231 Ų | 231 | 110.3 Ų | 110.3 | 87% | 0.872 | 65% | 0.647 | S | S | * | * | trans | -34.6 | 120.2 | 176.1 | -62 | 170.2 | 88.8 | 170.9 | 6.1 | 108.4 | S118 | R116-S118 PolarHBondContact O-N 2.78Å; R116-S118 PolarHBondContact O-OG 3.41Å | ||
| 117 | S | 42.2 | Very low | 58 | Low | 114 Ų | 114 | 106.8 Ų | 106.8 | 80% | 0.797 | 62% | 0.624 | S | S | * | * | trans | -44.1 | 94.1 | 168.3 | 30 | 0 | 0 | 0 | 0 | 107.8 | S115 S119 | S115-S117 PolarHBondContact O-N 2.85Å; S115-S117 VanDerWaalsContact O-N 3.11Å; S117-S119 VanDerWaalsContact C-N 3.32Å; S117-S119 PolarHBondContact O-N 3.47Å; S117-S119 VanDerWaalsContact O-N 3.1Å | ||
| 118 | S | 58.8 | Low | 60.2 | Low | 99 Ų | 99 | 102.4 Ų | 102.4 | 69% | 0.692 | 60% | 0.595 | S | S | * | * | trans | -86.3 | 93.7 | -177.6 | 23.7 | 0 | 0 | 0 | 0 | 103.7 | R116 | R116-S118 PolarHBondContact O-N 2.78Å; R116-S118 PolarHBondContact O-OG 3.41Å | ||
| 119 | S | 76.3 | Confident | 62.2 | Low | 55 Ų | 55 | 97.9 Ų | 97.9 | 39% | 0.385 | 56% | 0.562 | S | S | . | * | trans | -45.6 | 143.7 | 164.2 | 51.6 | 0 | 0 | 0 | 0 | 109.1 | S117 L121 S124 G125 | S117-S119 VanDerWaalsContact C-N 3.32Å; S117-S119 PolarHBondContact O-N 3.47Å; S117-S119 VanDerWaalsContact O-N 3.1Å; S119-L121 PolarHBondContact O-N 3.02Å; S119-S124 WeakPolarHBondContact CB-O 3.44Å; S119-G125 CarbonylContact C-O 3.49Å; S119-G125 VanDerWaalsContact CA-O 3.26Å; S119-G125 WeakPolarHBondContact CA-O 3.5Å | ||
| 120 | C | 81.8 | Confident | 63.8 | Low | 4 Ų | 4 | 96.4 Ų | 96.4 | 3% | 0.027 | 55% | 0.546 | C | S | . | . | trans | -49.1 | 126.8 | 179.8 | -178.5 | 0 | 0 | 0 | 0 | 110 | E122 C123 S124 G125 N127 C132 | C120-E122 PolarHBondContact O-N 3.39Å; C120-E122 PolarHBondContact SG-N 3.21Å; C120-C123 WeakPolarHBondContact CB-SG 3.37Å; C120-C123 VanDerWaalsContact SG-SG 3.62Å; C120-S124 WeakPolarHBondContact O-CA 3.34Å; C120-S124 PolarHBondContact O-N 3.04Å; C120-G125 PolarHBondContact N-O 3.45Å; C120-N127 VanDerWaalsContact CB-O 3.32Å; C120-N127 WeakPolarHBondContact CB-O 3.33Å; C120-N127 WeakPolarHBondContact CB-OD1 3.46Å; C120-C132 WeakPolarHBondContact SG-CB 3.44Å; C120-C132 PolarHBondContact SG-SG 3.22Å | ||
| 121 | L | 84.2 | Confident | 65.7 | Low | 92 Ų | 92 | 95.4 Ų | 95.4 | 48% | 0.482 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -17 | -179.2 | -64.7 | 173.2 | 0 | 0 | 0 | 113.1 | S119 F146 H150 L152 | S119-L121 PolarHBondContact O-N 3.02Å; L121-F146 HydrophobicContact CB-CE1 4.08Å; L121-F146 HydrophobicContact CB-CZ 3.63Å; L121-H150 HydrophobicContact CD1-CB 4.24Å; L121-L152 HydrophobicContact CD1-CD1 4.02Å; L121-L152 HydrophobicContact CD1-CD2 3.84Å; L121-L152 HydrophobicContact CD1-CG 4.41Å |
| 122 | E | 83.3 | Confident | 67.6 | Low | 32 Ų | 32 | 87.6 Ų | 87.6 | 15% | 0.15 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -38.3 | -176.9 | -178.4 | 65.3 | -121.7 | 0 | 0 | 113.6 | C120 L129 K134 F135 N138 F146 | C120-E122 PolarHBondContact O-N 3.39Å; C120-E122 PolarHBondContact SG-N 3.21Å; E122-L129 HydrophobicContact CB-CD1 3.8Å; E122-K134 HydrophobicContact CG-CB 4.07Å; E122-K134 HydrophobicContact CG-CD 3.98Å; E122-K134 HydrophobicContact CG-CG 3.88Å; E122-K134 PolarHBondContact O-NZ 3.46Å; E122-K134 WeakPolarHBondContact OE1-CE 3.31Å; E122-K134 IonicContact OE1-NZ 3.18Å; E122-K134 PolarHBondContact OE1-NZ 2.95Å; E122-F135 HydrophobicContact CB-CB 4.36Å; E122-F135 HydrophobicContact CG-CB 4.17Å; E122-N138 PolarHBondContact OE2-ND2 3.39Å; E122-F146 HydrophobicContact CB-CE2 4.07Å; E122-F146 HydrophobicContact CB-CZ 3.96Å; E122-F146 WeakPolarHBondContact OE2-CD2 2.97Å; E122-F146 WeakPolarHBondContact OE2-CE2 3.23Å |
| 123 | C | 86.6 | Confident | 69.9 | Low | 56 Ų | 56 | 86 Ų | 86 | 38% | 0.378 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -2.5 | -177.5 | 69.6 | 0 | 0 | 0 | 0 | 114.7 | C120 G125 N127 K134 | C120-C123 WeakPolarHBondContact CB-SG 3.37Å; C120-C123 VanDerWaalsContact SG-SG 3.62Å; C123-G125 PolarHBondContact O-N 3.17Å; C123-G125 VanDerWaalsContact O-N 3.09Å; C123-N127 PolarHBondContact SG-OD1 2.93Å; C123-K134 HydrophobicContact CB-CD 4.46Å |
| 124 | S | 83.5 | Confident | 72.1 | Confident | 92 Ų | 92 | 84.9 Ų | 84.9 | 64% | 0.643 | 47% | 0.467 | S | S | * | . | trans | 57.3 | 16.8 | -175.6 | -52.9 | 0 | 0 | 0 | 0 | 115.2 | S119 C120 | S119-S124 WeakPolarHBondContact CB-O 3.44Å; C120-S124 WeakPolarHBondContact O-CA 3.34Å; C120-S124 PolarHBondContact O-N 3.04Å | ||
| 125 | G | 83.9 | Confident | 74.3 | Confident | 25 Ų | 25 | 76.9 Ų | 76.9 | 26% | 0.258 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -84.2 | 172.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S119 C120 C123 N127 | S119-G125 CarbonylContact C-O 3.49Å; S119-G125 VanDerWaalsContact CA-O 3.26Å; S119-G125 WeakPolarHBondContact CA-O 3.5Å; C120-G125 PolarHBondContact N-O 3.45Å; C123-G125 PolarHBondContact O-N 3.17Å; C123-G125 VanDerWaalsContact O-N 3.09Å; G125-N127 PolarHBondContact O-N 2.94Å |
| 126 | D | 84.4 | Confident | 76 | Confident | 164 Ų | 164 | 76.2 Ų | 76.2 | 88% | 0.877 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -81.7 | 33.8 | -178.1 | -66.9 | -34.6 | 0 | 0 | 0 | 113.9 | ||
| 127 | N | 81 | Confident | 77.9 | Confident | 41 Ų | 41 | 70.4 Ų | 70.4 | 22% | 0.219 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -120.5 | 151.6 | 178.4 | 61.4 | -29.9 | 0 | 0 | 0 | 111.4 | C120 C123 G125 Q131 C132 | C120-N127 VanDerWaalsContact CB-O 3.32Å; C120-N127 WeakPolarHBondContact CB-O 3.33Å; C120-N127 WeakPolarHBondContact CB-OD1 3.46Å; C123-N127 PolarHBondContact SG-OD1 2.93Å; G125-N127 PolarHBondContact O-N 2.94Å; N127-Q131 HydrophobicContact CB-CB 4.25Å; N127-Q131 PolarHBondContact ND2-O 3.03Å; N127-Q131 VanDerWaalsContact ND2-O 3.16Å; N127-C132 VanDerWaalsContact ND2-CA 3.27Å; N127-C132 WeakPolarHBondContact ND2-CA 3.42Å |
| 128 | S | 78.4 | Confident | 79.4 | Confident | 48 Ų | 48 | 66.6 Ų | 66.6 | 34% | 0.336 | 37% | 0.369 | S | S | . | . | trans | -69.4 | 155.8 | 171.8 | 61.2 | 0 | 0 | 0 | 0 | 110.7 | D130 Q131 C132 | S128-D130 WeakPolarHBondContact CB-OD1 3.48Å; S128-D130 PolarHBondContact O-N 3.47Å; S128-D130 VanDerWaalsContact OG-CG 3.25Å; S128-D130 PolarHBondContact OG-OD1 3.43Å; S128-D130 PolarHBondContact OG-OD2 3.3Å; S128-Q131 CarbonylContact O-C 3.57Å; S128-Q131 WeakPolarHBondContact O-CA 3.49Å; S128-Q131 PolarHBondContact O-N 3.34Å; S128-Q131 WeakPolarHBondContact OG-CG 3.35Å; S128-C132 PolarHBondContact O-N 3.16Å | ||
| 129 | L | 79.7 | Confident | 80 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 7% | 0.073 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -60.4 | -32.1 | -177.4 | -167.2 | 71.2 | 0 | 0 | 0 | 112.6 | E122 Q131 C132 F135 F146 L152 L157 | E122-L129 HydrophobicContact CB-CD1 3.8Å; L129-Q131 PolarHBondContact O-N 3.1Å; L129-C132 HydrophobicContact CD1-CB 4.49Å; L129-C132 WeakPolarHBondContact O-CB 3.5Å; L129-C132 PolarHBondContact O-N 3.46Å; L129-F135 HydrophobicContact CD1-CB 3.96Å; L129-F135 HydrophobicContact CD1-CD1 4.45Å; L129-F135 HydrophobicContact CD1-CD2 3.93Å; L129-F135 HydrophobicContact CD1-CG 3.86Å; L129-F135 HydrophobicContact CD2-CD2 4.2Å; L129-F135 HydrophobicContact CD2-CE1 4.35Å; L129-F135 HydrophobicContact CD2-CE2 4.04Å; L129-F135 HydrophobicContact CD2-CG 4.44Å; L129-F135 HydrophobicContact CD2-CZ 4.12Å; L129-F135 HydrophobicContact CG-CB 4.38Å; L129-F135 HydrophobicContact CG-CD1 3.97Å; L129-F135 HydrophobicContact CG-CD2 4.07Å; L129-F135 HydrophobicContact CG-CE1 4.26Å; L129-F135 HydrophobicContact CG-CE2 4.36Å; L129-F135 HydrophobicContact CG-CG 3.87Å; L129-F135 HydrophobicContact CG-CZ 4.45Å; L129-F146 HydrophobicContact CD1-CE1 3.79Å; L129-F146 HydrophobicContact CD1-CZ 4.13Å; L129-F146 HydrophobicContact CD2-CD1 4.02Å; L129-F146 HydrophobicContact CD2-CE1 3.59Å; L129-F146 HydrophobicContact CG-CE1 4.37Å; L129-L152 HydrophobicContact CD2-CD1 3.42Å; L129-L152 VanDerWaalsContact CD2-CD1 3.42Å; L129-L157 HydrophobicContact CD2-CB 4.27Å; L129-L157 HydrophobicContact CD2-CD1 4.35Å; L129-L157 HydrophobicContact CG-CD1 4.47Å |
| 130 | D | 71.1 | Confident | 79.5 | Confident | 74 Ų | 74 | 66.3 Ų | 66.3 | 40% | 0.396 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -66.3 | -19.6 | 173.7 | 60.6 | -68.1 | 0 | 0 | 0 | 113.5 | S128 K136 L157 | S128-D130 WeakPolarHBondContact CB-OD1 3.48Å; S128-D130 PolarHBondContact O-N 3.47Å; S128-D130 VanDerWaalsContact OG-CG 3.25Å; S128-D130 PolarHBondContact OG-OD1 3.43Å; S128-D130 PolarHBondContact OG-OD2 3.3Å; D130-K136 WeakPolarHBondContact O-CE 3.3Å; D130-K136 PolarHBondContact O-NZ 3.16Å; D130-L157 HydrophobicContact CB-CD1 4.22Å |
| 131 | Q | 74.3 | Confident | 79 | Confident | 122 Ų | 122 | 70.4 Ų | 70.4 | 57% | 0.57 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -103.2 | 2.2 | 175.7 | -62.1 | 178.6 | 20.6 | 0 | 0 | 112.8 | N127 S128 L129 Q133 | N127-Q131 HydrophobicContact CB-CB 4.25Å; N127-Q131 PolarHBondContact ND2-O 3.03Å; N127-Q131 VanDerWaalsContact ND2-O 3.16Å; S128-Q131 CarbonylContact O-C 3.57Å; S128-Q131 WeakPolarHBondContact O-CA 3.49Å; S128-Q131 PolarHBondContact O-N 3.34Å; S128-Q131 WeakPolarHBondContact OG-CG 3.35Å; L129-Q131 PolarHBondContact O-N 3.1Å; Q131-Q133 PolarHBondContact O-N 2.91Å |
| 132 | C | 79.7 | Confident | 78.6 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.007 | 38% | 0.379 | C | S | . | . | trans | -81.1 | 116.7 | -178.7 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | C120 N127 S128 L129 F135 K136 | C120-C132 WeakPolarHBondContact SG-CB 3.44Å; C120-C132 PolarHBondContact SG-SG 3.22Å; N127-C132 VanDerWaalsContact ND2-CA 3.27Å; N127-C132 WeakPolarHBondContact ND2-CA 3.42Å; S128-C132 PolarHBondContact O-N 3.16Å; L129-C132 HydrophobicContact CD1-CB 4.49Å; L129-C132 WeakPolarHBondContact O-CB 3.5Å; L129-C132 PolarHBondContact O-N 3.46Å; C132-F135 HydrophobicContact CB-CB 3.87Å; C132-F135 PolarHBondContact O-N 3.19Å; C132-K136 WeakPolarHBondContact O-CG 3.46Å; C132-K136 PolarHBondContact O-N 3.4Å | ||
| 133 | Q | 82.7 | Confident | 78.4 | Confident | 115 Ų | 115 | 71.3 Ų | 71.3 | 54% | 0.537 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 178.4 | -168.1 | 58.6 | 40.6 | 0 | 0 | 111.5 | Q131 F135 K136 D137 | Q131-Q133 PolarHBondContact O-N 2.91Å; Q133-F135 VanDerWaalsContact C-N 3.28Å; Q133-F135 PolarHBondContact O-N 2.96Å; Q133-K136 CarbonylContact O-C 3.6Å; Q133-K136 WeakPolarHBondContact O-CA 3.44Å; Q133-K136 WeakPolarHBondContact O-CB 3.45Å; Q133-K136 PolarHBondContact O-N 2.74Å; Q133-D137 PolarHBondContact NE2-OD1 3.48Å; Q133-D137 PolarHBondContact O-N 2.97Å |
| 134 | K | 84.9 | Confident | 77.8 | Confident | 108 Ų | 108 | 75.6 Ų | 75.6 | 47% | 0.47 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.5 | -40.5 | 176.7 | -171.5 | 177.8 | 169.3 | -151.7 | 0 | 112.6 | E122 C123 D137 N138 | E122-K134 HydrophobicContact CG-CB 4.07Å; E122-K134 HydrophobicContact CG-CD 3.98Å; E122-K134 HydrophobicContact CG-CG 3.88Å; E122-K134 PolarHBondContact O-NZ 3.46Å; E122-K134 WeakPolarHBondContact OE1-CE 3.31Å; E122-K134 IonicContact OE1-NZ 3.18Å; E122-K134 PolarHBondContact OE1-NZ 2.95Å; C123-K134 HydrophobicContact CB-CD 4.46Å; K134-D137 PolarHBondContact O-N 3.09Å; K134-N138 PolarHBondContact O-N 3.43Å; K134-N138 PolarHBondContact O-OD1 3.28Å |
| 135 | F | 80.7 | Confident | 77.7 | Confident | 14 Ų | 14 | 76.1 Ų | 76.1 | 6% | 0.061 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.6 | -34.3 | 174.3 | -177.6 | -105 | 0 | 0 | 0 | 112.6 | E122 L129 C132 Q133 D137 R143 F146 V147 L157 | E122-F135 HydrophobicContact CB-CB 4.36Å; E122-F135 HydrophobicContact CG-CB 4.17Å; L129-F135 HydrophobicContact CD1-CB 3.96Å; L129-F135 HydrophobicContact CD1-CD1 4.45Å; L129-F135 HydrophobicContact CD1-CD2 3.93Å; L129-F135 HydrophobicContact CD1-CG 3.86Å; L129-F135 HydrophobicContact CD2-CD2 4.2Å; L129-F135 HydrophobicContact CD2-CE1 4.35Å; L129-F135 HydrophobicContact CD2-CE2 4.04Å; L129-F135 HydrophobicContact CD2-CG 4.44Å; L129-F135 HydrophobicContact CD2-CZ 4.12Å; L129-F135 HydrophobicContact CG-CB 4.38Å; L129-F135 HydrophobicContact CG-CD1 3.97Å; L129-F135 HydrophobicContact CG-CD2 4.07Å; L129-F135 HydrophobicContact CG-CE1 4.26Å; L129-F135 HydrophobicContact CG-CE2 4.36Å; L129-F135 HydrophobicContact CG-CG 3.87Å; L129-F135 HydrophobicContact CG-CZ 4.45Å; C132-F135 HydrophobicContact CB-CB 3.87Å; C132-F135 PolarHBondContact O-N 3.19Å; Q133-F135 VanDerWaalsContact C-N 3.28Å; Q133-F135 PolarHBondContact O-N 2.96Å; F135-D137 VanDerWaalsContact C-N 3.32Å; F135-R143 HydrophobicContact CD2-CG 4.33Å; F135-R143 HydrophobicContact CE1-CG 4.43Å; F135-R143 HydrophobicContact CE2-CB 4.02Å; F135-R143 HydrophobicContact CE2-CG 3.94Å; F135-R143 HydrophobicContact CZ-CB 3.98Å; F135-R143 HydrophobicContact CZ-CG 4Å; F135-R143 WeakPolarHBondContact O-CD 3.44Å; F135-R143 WeakPolarHBondContact O-CG 3.25Å; F135-R143 PolarHBondContact O-NE 3.11Å; F135-F146 HydrophobicContact CD2-CD1 4.07Å; F135-F146 HydrophobicContact CD2-CE1 4.49Å; F135-F146 HydrophobicContact CD2-CG 4.34Å; F135-F146 HydrophobicContact CE2-CB 4.18Å; F135-F146 AromaticContact CE2-CD1 3.73Å; F135-F146 HydrophobicContact CE2-CD1 3.73Å; F135-F146 HydrophobicContact CE2-CE1 4.46Å; F135-F146 HydrophobicContact CE2-CG 4.11Å; F135-V147 HydrophobicContact CE2-CG2 4.45Å; F135-V147 HydrophobicContact CZ-CG2 4.08Å; F135-L157 HydrophobicContact CE1-CD1 3.8Å; F135-L157 HydrophobicContact CZ-CD1 4.39Å; F135-L157 HydrophobicContact CZ-CD2 4.43Å |
| 136 | K | 76.5 | Confident | 77.6 | Confident | 99 Ų | 99 | 75.4 Ų | 75.4 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -74.3 | -17.7 | 174.2 | -70.9 | 177.6 | -176.9 | 178.6 | 0 | 113.8 | D130 C132 Q133 R143 | D130-K136 WeakPolarHBondContact O-CE 3.3Å; D130-K136 PolarHBondContact O-NZ 3.16Å; C132-K136 WeakPolarHBondContact O-CG 3.46Å; C132-K136 PolarHBondContact O-N 3.4Å; Q133-K136 CarbonylContact O-C 3.6Å; Q133-K136 WeakPolarHBondContact O-CA 3.44Å; Q133-K136 WeakPolarHBondContact O-CB 3.45Å; Q133-K136 PolarHBondContact O-N 2.74Å; K136-R143 VanDerWaalsContact O-CZ 3.3Å; K136-R143 PolarHBondContact O-NH2 2.81Å |
| 137 | D | 82.8 | Confident | 77.5 | Confident | 110 Ų | 110 | 68 Ų | 68 | 59% | 0.588 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -88.9 | -27.5 | 176.8 | -62 | -22.5 | 0 | 0 | 0 | 111.7 | Q133 K134 F135 | Q133-D137 PolarHBondContact NE2-OD1 3.48Å; Q133-D137 PolarHBondContact O-N 2.97Å; K134-D137 PolarHBondContact O-N 3.09Å; F135-D137 VanDerWaalsContact C-N 3.32Å |
| 138 | N | 73.2 | Confident | 77.6 | Confident | 33 Ų | 33 | 70.7 Ų | 70.7 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -55.3 | 145.4 | 174.2 | -74 | -10.5 | 0 | 0 | 0 | 111.9 | E122 K134 E142 R143 | E122-N138 PolarHBondContact OE2-ND2 3.39Å; K134-N138 PolarHBondContact O-N 3.43Å; K134-N138 PolarHBondContact O-OD1 3.28Å; N138-E142 WeakPolarHBondContact CA-OE2 3.36Å; N138-E142 HydrophobicContact CB-CB 3.91Å; N138-R143 HydrophobicContact CB-CG 3.88Å; N138-R143 VanDerWaalsContact O-CZ 3.23Å; N138-R143 PolarHBondContact O-NE 3.32Å; N138-R143 PolarHBondContact O-NH2 2.98Å |
| 139 | N | 70.6 | Confident | 78.1 | Confident | 77 Ų | 77 | 76.3 Ų | 76.3 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | trans | -70.6 | 169.6 | 175.4 | 71.6 | 55.6 | 0 | 0 | 0 | 111.7 | T141 E142 R143 | N139-T141 VanDerWaalsContact C-N 3.26Å; N139-T141 PolarHBondContact O-N 3.31Å; N139-T141 WeakPolarHBondContact OD1-CA 3.36Å; N139-T141 VanDerWaalsContact OD1-CB 3.3Å; N139-T141 WeakPolarHBondContact OD1-CB 3.31Å; N139-T141 PolarHBondContact OD1-N 2.92Å; N139-E142 VanDerWaalsContact CG-CD 3.48Å; N139-E142 PolarHBondContact N-OE2 3.26Å; N139-E142 PolarHBondContact ND2-OE1 3.29Å; N139-E142 PolarHBondContact ND2-OE2 3.21Å; N139-E142 VanDerWaalsContact ND2-OE2 3.15Å; N139-E142 PolarHBondContact O-N 2.98Å; N139-E142 PolarHBondContact OD1-N 3.44Å; N139-R143 WeakPolarHBondContact O-CG 3.28Å; N139-R143 PolarHBondContact O-N 3.05Å | ||
| 140 | V | 65.9 | Low | 78.4 | Confident | 72 Ų | 72 | 78.8 Ų | 78.8 | 44% | 0.436 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.6 | -38.3 | -175.1 | -172.9 | 0 | 0 | 0 | 0 | 112.6 | K144 R211 | V140-K144 WeakPolarHBondContact O-CB 3.45Å; V140-K144 PolarHBondContact O-N 3.49Å; V140-K144 VanDerWaalsContact O-N 3.11Å; V140-R211 VanDerWaalsContact CG1-NH2 3.28Å |
| 141 | T | 71.3 | Confident | 79.2 | Confident | 90 Ų | 90 | 83.7 Ų | 83.7 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66.8 | -48.6 | 179.9 | -54.2 | 0 | 0 | 0 | 0 | 109.9 | N139 R143 K144 E145 | N139-T141 VanDerWaalsContact C-N 3.26Å; N139-T141 PolarHBondContact O-N 3.31Å; N139-T141 WeakPolarHBondContact OD1-CA 3.36Å; N139-T141 VanDerWaalsContact OD1-CB 3.3Å; N139-T141 WeakPolarHBondContact OD1-CB 3.31Å; N139-T141 PolarHBondContact OD1-N 2.92Å; T141-R143 PolarHBondContact O-N 3.01Å; T141-K144 PolarHBondContact O-N 2.93Å; T141-E145 WeakPolarHBondContact O-CG 3.42Å; T141-E145 PolarHBondContact O-N 2.85Å |
| 142 | E | 76.9 | Confident | 79.5 | Confident | 84 Ų | 84 | 78.5 Ų | 78.5 | 39% | 0.393 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 177.2 | -72.7 | 165 | 176 | 0 | 0 | 112.2 | N138 N139 K144 E145 F146 | N138-E142 WeakPolarHBondContact CA-OE2 3.36Å; N138-E142 HydrophobicContact CB-CB 3.91Å; N139-E142 VanDerWaalsContact CG-CD 3.48Å; N139-E142 PolarHBondContact N-OE2 3.26Å; N139-E142 PolarHBondContact ND2-OE1 3.29Å; N139-E142 PolarHBondContact ND2-OE2 3.21Å; N139-E142 VanDerWaalsContact ND2-OE2 3.15Å; N139-E142 PolarHBondContact O-N 2.98Å; N139-E142 PolarHBondContact OD1-N 3.44Å; E142-K144 VanDerWaalsContact C-N 3.32Å; E142-K144 PolarHBondContact O-N 3.29Å; E142-E145 PolarHBondContact O-N 3.4Å; E142-F146 VanDerWaalsContact O-CB 3.31Å; E142-F146 WeakPolarHBondContact O-CB 3.23Å; E142-F146 PolarHBondContact O-N 2.96Å |
| 143 | R | 77.7 | Confident | 79.4 | Confident | 59 Ų | 59 | 78.5 Ų | 78.5 | 22% | 0.223 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 176.4 | -69.1 | -173.5 | -145.2 | 179.1 | 7.9 | 112.1 | F135 K136 N138 N139 T141 F146 V147 | F135-R143 HydrophobicContact CD2-CG 4.33Å; F135-R143 HydrophobicContact CE1-CG 4.43Å; F135-R143 HydrophobicContact CE2-CB 4.02Å; F135-R143 HydrophobicContact CE2-CG 3.94Å; F135-R143 HydrophobicContact CZ-CB 3.98Å; F135-R143 HydrophobicContact CZ-CG 4Å; F135-R143 WeakPolarHBondContact O-CD 3.44Å; F135-R143 WeakPolarHBondContact O-CG 3.25Å; F135-R143 PolarHBondContact O-NE 3.11Å; K136-R143 VanDerWaalsContact O-CZ 3.3Å; K136-R143 PolarHBondContact O-NH2 2.81Å; N138-R143 HydrophobicContact CB-CG 3.88Å; N138-R143 VanDerWaalsContact O-CZ 3.23Å; N138-R143 PolarHBondContact O-NE 3.32Å; N138-R143 PolarHBondContact O-NH2 2.98Å; N139-R143 WeakPolarHBondContact O-CG 3.28Å; N139-R143 PolarHBondContact O-N 3.05Å; T141-R143 PolarHBondContact O-N 3.01Å; R143-F146 PolarHBondContact O-N 3.45Å; R143-V147 VanDerWaalsContact O-CG2 3.32Å; R143-V147 WeakPolarHBondContact O-CG2 3.12Å; R143-V147 PolarHBondContact O-N 3Å |
| 144 | K | 75.2 | Confident | 78.9 | Confident | 146 Ų | 146 | 76.8 Ų | 76.8 | 64% | 0.635 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.7 | -46.2 | 178.7 | -174.7 | -178.1 | 178.1 | -173.3 | 0 | 110.9 | V140 T141 E142 F146 V147 V148 | V140-K144 WeakPolarHBondContact O-CB 3.45Å; V140-K144 PolarHBondContact O-N 3.49Å; V140-K144 VanDerWaalsContact O-N 3.11Å; T141-K144 PolarHBondContact O-N 2.93Å; E142-K144 VanDerWaalsContact C-N 3.32Å; E142-K144 PolarHBondContact O-N 3.29Å; K144-F146 VanDerWaalsContact C-N 3.3Å; K144-F146 PolarHBondContact O-N 3.33Å; K144-V147 PolarHBondContact O-N 2.96Å; K144-V148 WeakPolarHBondContact O-CB 3.46Å; K144-V148 VanDerWaalsContact O-CG2 3.27Å; K144-V148 WeakPolarHBondContact O-CG2 3.41Å; K144-V148 PolarHBondContact O-N 3.43Å |
| 145 | E | 81.7 | Confident | 78.2 | Confident | 102 Ų | 102 | 72.3 Ų | 72.3 | 48% | 0.477 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 175.5 | -73.6 | -178.2 | -173.3 | 0 | 0 | 111.5 | T141 E142 V148 R149 | T141-E145 WeakPolarHBondContact O-CG 3.42Å; T141-E145 PolarHBondContact O-N 2.85Å; E142-E145 PolarHBondContact O-N 3.4Å; E145-V148 PolarHBondContact O-N 3.15Å; E145-R149 WeakPolarHBondContact O-CB 3.45Å; E145-R149 PolarHBondContact O-N 3.42Å; E145-R149 IonicContact OE2-NH2 2.77Å |
| 146 | F | 81.7 | Confident | 78 | Confident | 11 Ų | 11 | 71.9 Ų | 71.9 | 5% | 0.048 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.2 | -48.9 | 176.9 | -172.9 | -84.6 | 0 | 0 | 0 | 112.2 | L121 E122 L129 F135 E142 R143 K144 V148 R149 H150 L152 | L121-F146 HydrophobicContact CB-CE1 4.08Å; L121-F146 HydrophobicContact CB-CZ 3.63Å; E122-F146 HydrophobicContact CB-CE2 4.07Å; E122-F146 HydrophobicContact CB-CZ 3.96Å; E122-F146 WeakPolarHBondContact OE2-CD2 2.97Å; E122-F146 WeakPolarHBondContact OE2-CE2 3.23Å; L129-F146 HydrophobicContact CD1-CE1 3.79Å; L129-F146 HydrophobicContact CD1-CZ 4.13Å; L129-F146 HydrophobicContact CD2-CD1 4.02Å; L129-F146 HydrophobicContact CD2-CE1 3.59Å; L129-F146 HydrophobicContact CG-CE1 4.37Å; F135-F146 HydrophobicContact CD2-CD1 4.07Å; F135-F146 HydrophobicContact CD2-CE1 4.49Å; F135-F146 HydrophobicContact CD2-CG 4.34Å; F135-F146 HydrophobicContact CE2-CB 4.18Å; F135-F146 AromaticContact CE2-CD1 3.73Å; F135-F146 HydrophobicContact CE2-CD1 3.73Å; F135-F146 HydrophobicContact CE2-CE1 4.46Å; F135-F146 HydrophobicContact CE2-CG 4.11Å; E142-F146 VanDerWaalsContact O-CB 3.31Å; E142-F146 WeakPolarHBondContact O-CB 3.23Å; E142-F146 PolarHBondContact O-N 2.96Å; R143-F146 PolarHBondContact O-N 3.45Å; K144-F146 VanDerWaalsContact C-N 3.3Å; K144-F146 PolarHBondContact O-N 3.33Å; F146-V148 VanDerWaalsContact C-N 3.34Å; F146-V148 PolarHBondContact O-N 3.29Å; F146-R149 PolarHBondContact O-N 3Å; F146-H150 AromaticContact CD1-ND1 3.69Å; F146-H150 AromaticContact CD2-CE1 3.57Å; F146-H150 AromaticContact CD2-ND1 3.68Å; F146-H150 AromaticContact CE1-ND1 3.57Å; F146-H150 AromaticContact CE2-CE1 3.22Å; F146-H150 WeakPolarHBondContact CE2-CE1 3.35Å; F146-H150 AromaticContact CE2-ND1 3.57Å; F146-H150 AromaticContact CG-ND1 3.74Å; F146-H150 AromaticContact CZ-CE1 3.47Å; F146-H150 VanDerWaalsContact CZ-CE1 3.47Å; F146-H150 WeakPolarHBondContact CZ-CE1 3.5Å; F146-H150 AromaticContact CZ-ND1 3.51Å; F146-H150 WeakPolarHBondContact O-CB 2.89Å; F146-H150 PolarHBondContact O-N 3.48Å; F146-H150 PolarHBondContact O-ND1 3.22Å; F146-L152 HydrophobicContact CD1-CD1 4.35Å; F146-L152 HydrophobicContact CE1-CD1 4.06Å |
| 147 | V | 81.8 | Confident | 78.2 | Confident | 8 Ų | 8 | 68.2 Ų | 68.2 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 179.2 | 168.1 | 0 | 0 | 0 | 0 | 111.4 | F135 R143 K144 K151 L152 N154 L157 | F135-V147 HydrophobicContact CE2-CG2 4.45Å; F135-V147 HydrophobicContact CZ-CG2 4.08Å; R143-V147 VanDerWaalsContact O-CG2 3.32Å; R143-V147 WeakPolarHBondContact O-CG2 3.12Å; R143-V147 PolarHBondContact O-N 3Å; K144-V147 PolarHBondContact O-N 2.96Å; V147-K151 PolarHBondContact O-N 3.27Å; V147-K151 VanDerWaalsContact O-N 3.09Å; V147-L152 HydrophobicContact CG1-CB 4.08Å; V147-L152 WeakPolarHBondContact CG1-O 3.45Å; V147-L152 PolarHBondContact O-N 2.9Å; V147-N154 WeakPolarHBondContact CG1-OD1 3.5Å; V147-L157 HydrophobicContact CG2-CD2 3.74Å |
| 148 | V | 83.4 | Confident | 78.1 | Confident | 97 Ų | 97 | 69.4 Ų | 69.4 | 59% | 0.588 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.4 | -47.4 | 176.2 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | K144 E145 F146 H150 K151 | K144-V148 WeakPolarHBondContact O-CB 3.46Å; K144-V148 VanDerWaalsContact O-CG2 3.27Å; K144-V148 WeakPolarHBondContact O-CG2 3.41Å; K144-V148 PolarHBondContact O-N 3.43Å; E145-V148 PolarHBondContact O-N 3.15Å; F146-V148 VanDerWaalsContact C-N 3.34Å; F146-V148 PolarHBondContact O-N 3.29Å; V148-H150 VanDerWaalsContact C-N 3.31Å; V148-H150 PolarHBondContact O-N 3.1Å; V148-K151 PolarHBondContact O-N 3.25Å |
| 149 | R | 88.7 | Confident | 78.6 | Confident | 167 Ų | 167 | 70 Ų | 70 | 63% | 0.63 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.4 | -40.5 | -179.4 | -171.7 | -176.1 | -58 | 154.3 | 4.3 | 111.9 | E145 F146 | E145-R149 WeakPolarHBondContact O-CB 3.45Å; E145-R149 PolarHBondContact O-N 3.42Å; E145-R149 IonicContact OE2-NH2 2.77Å; F146-R149 PolarHBondContact O-N 3Å |
| 150 | H | 86.1 | Confident | 79 | Confident | 66 Ų | 66 | 74.2 Ų | 74.2 | 31% | 0.306 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 6.7 | -179.6 | -63 | 92.4 | 0 | 0 | 0 | 114.1 | L121 F146 V148 L152 | L121-H150 HydrophobicContact CD1-CB 4.24Å; F146-H150 AromaticContact CD1-ND1 3.69Å; F146-H150 AromaticContact CD2-CE1 3.57Å; F146-H150 AromaticContact CD2-ND1 3.68Å; F146-H150 AromaticContact CE1-ND1 3.57Å; F146-H150 AromaticContact CE2-CE1 3.22Å; F146-H150 WeakPolarHBondContact CE2-CE1 3.35Å; F146-H150 AromaticContact CE2-ND1 3.57Å; F146-H150 AromaticContact CG-ND1 3.74Å; F146-H150 AromaticContact CZ-CE1 3.47Å; F146-H150 VanDerWaalsContact CZ-CE1 3.47Å; F146-H150 WeakPolarHBondContact CZ-CE1 3.5Å; F146-H150 AromaticContact CZ-ND1 3.51Å; F146-H150 WeakPolarHBondContact O-CB 2.89Å; F146-H150 PolarHBondContact O-N 3.48Å; F146-H150 PolarHBondContact O-ND1 3.22Å; V148-H150 VanDerWaalsContact C-N 3.31Å; V148-H150 PolarHBondContact O-N 3.1Å; H150-L152 HydrophobicContact CB-CD1 4.04Å; H150-L152 HydrophobicContact CB-CD2 4.31Å; H150-L152 HydrophobicContact CB-CG 3.8Å; H150-L152 PolarHBondContact O-N 3.35Å |
| 151 | K | 86.8 | Confident | 79.9 | Confident | 177 Ų | 177 | 73 Ų | 73 | 77% | 0.77 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 41.2 | 179.4 | -57.8 | 179.9 | -179.3 | 177.6 | 0 | 113.1 | V147 V148 | V147-K151 PolarHBondContact O-N 3.27Å; V147-K151 VanDerWaalsContact O-N 3.09Å; V148-K151 PolarHBondContact O-N 3.25Å |
| 152 | L | 81.8 | Confident | 80.2 | Confident | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -85.7 | 150 | 179.9 | -55.3 | 175.8 | 0 | 0 | 0 | 110.3 | L121 L129 F146 V147 H150 N154 A159 | L121-L152 HydrophobicContact CD1-CD1 4.02Å; L121-L152 HydrophobicContact CD1-CD2 3.84Å; L121-L152 HydrophobicContact CD1-CG 4.41Å; L129-L152 HydrophobicContact CD2-CD1 3.42Å; L129-L152 VanDerWaalsContact CD2-CD1 3.42Å; F146-L152 HydrophobicContact CD1-CD1 4.35Å; F146-L152 HydrophobicContact CE1-CD1 4.06Å; V147-L152 HydrophobicContact CG1-CB 4.08Å; V147-L152 WeakPolarHBondContact CG1-O 3.45Å; V147-L152 PolarHBondContact O-N 2.9Å; H150-L152 HydrophobicContact CB-CD1 4.04Å; H150-L152 HydrophobicContact CB-CD2 4.31Å; H150-L152 HydrophobicContact CB-CG 3.8Å; H150-L152 PolarHBondContact O-N 3.35Å; L152-N154 PolarHBondContact O-N 3.12Å; L152-A159 HydrophobicContact CD2-CB 4.11Å |
| 153 | C | 75.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | trans | -64 | 125.2 | 171.9 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | V155 L157 K158 H161 | C153-V155 PolarHBondContact O-N 3.31Å; C153-V155 PolarHBondContact SG-N 2.77Å; C153-L157 VanDerWaalsContact O-CA 3.28Å; C153-L157 WeakPolarHBondContact O-CA 3.37Å; C153-L157 PolarHBondContact O-N 2.82Å; C153-K158 WeakPolarHBondContact CB-O 3.48Å; C153-K158 PolarHBondContact N-O 3.12Å; C153-H161 WeakPolarHBondContact CA-O 3.32Å; C153-H161 WeakPolarHBondContact CB-NE2 3.35Å; C153-H161 WeakPolarHBondContact CB-O 3.32Å; C153-H161 PolarHBondContact SG-CD2 2.75Å; C153-H161 PolarHBondContact SG-NE2 2.74Å | ||
| 154 | N | 73.7 | Confident | 79.7 | Confident | 80 Ų | 80 | 77.7 Ų | 77.7 | 43% | 0.428 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 4.1 | 173.2 | -71.3 | -39.3 | 0 | 0 | 0 | 114.1 | V147 L152 S173 | V147-N154 WeakPolarHBondContact CG1-OD1 3.5Å; L152-N154 PolarHBondContact O-N 3.12Å; N154-S173 WeakPolarHBondContact O-CB 3.46Å; N154-S173 PolarHBondContact O-OG 3.49Å |
| 155 | V | 69.3 | Low | 79.7 | Confident | 13 Ų | 13 | 75.8 Ų | 75.8 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -73.9 | 174.1 | -177 | 0 | 0 | 0 | 0 | 108.8 | C153 A163 C166 S171 S173 D176 | C153-V155 PolarHBondContact O-N 3.31Å; C153-V155 PolarHBondContact SG-N 2.77Å; V155-A163 HydrophobicContact CG2-CB 3.44Å; V155-A163 VanDerWaalsContact CG2-CB 3.44Å; V155-C166 HydrophobicContact CB-CB 4.15Å; V155-C166 HydrophobicContact CG1-CB 4.49Å; V155-C166 HydrophobicContact CG2-CB 4.21Å; V155-S171 CarbonylContact C-O 3.52Å; V155-S173 VanDerWaalsContact C-OG 3.32Å; V155-S173 WeakPolarHBondContact CA-OG 3.49Å; V155-S173 PolarHBondContact N-OG 3.42Å; V155-S173 WeakPolarHBondContact O-CB 3.38Å; V155-S173 PolarHBondContact O-OG 3.22Å; V155-D176 VanDerWaalsContact CG1-OD2 3.3Å; V155-D176 WeakPolarHBondContact CG1-OD2 3.43Å; V155-D176 WeakPolarHBondContact CG2-OD2 3.39Å |
| 156 | C | 77.3 | Confident | 79.4 | Confident | 6 Ų | 6 | 72.4 Ų | 72.4 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 7.5 | -171.3 | 74.9 | 0 | 0 | 0 | 0 | 115 | K158 H161 C166 S168 S171 | C156-K158 PolarHBondContact O-N 2.83Å; C156-H161 PolarHBondContact SG-CE1 3.38Å; C156-H161 PolarHBondContact SG-NE2 2.82Å; C156-C166 VanDerWaalsContact SG-SG 3.68Å; C156-S168 VanDerWaalsContact CB-OG 3.23Å; C156-S168 WeakPolarHBondContact CB-OG 3.48Å; C156-S168 PolarHBondContact SG-OG 2.71Å; C156-S171 WeakPolarHBondContact CA-OG 3.24Å; C156-S171 WeakPolarHBondContact CB-OG 3.47Å |
| 157 | L | 79.6 | Confident | 79.3 | Confident | 22 Ų | 22 | 83.4 Ų | 83.4 | 12% | 0.115 | 41% | 0.41 | C | S | . | . | trans | 55.7 | 18.4 | -179.2 | -55 | 178.7 | 0 | 0 | 0 | 115.1 | L129 D130 F135 V147 C153 | L129-L157 HydrophobicContact CD2-CB 4.27Å; L129-L157 HydrophobicContact CD2-CD1 4.35Å; L129-L157 HydrophobicContact CG-CD1 4.47Å; D130-L157 HydrophobicContact CB-CD1 4.22Å; F135-L157 HydrophobicContact CE1-CD1 3.8Å; F135-L157 HydrophobicContact CZ-CD1 4.39Å; F135-L157 HydrophobicContact CZ-CD2 4.43Å; V147-L157 HydrophobicContact CG2-CD2 3.74Å; C153-L157 VanDerWaalsContact O-CA 3.28Å; C153-L157 WeakPolarHBondContact O-CA 3.37Å; C153-L157 PolarHBondContact O-N 2.82Å | ||
| 158 | K | 80.7 | Confident | 78.6 | Confident | 134 Ų | 134 | 84.5 Ų | 84.5 | 58% | 0.583 | 42% | 0.418 | S | S | * | . | trans | -96.8 | 149.2 | 174.6 | -61.5 | 176.6 | -178 | -178.3 | 0 | 110.2 | C153 C156 | C153-K158 WeakPolarHBondContact CB-O 3.48Å; C153-K158 PolarHBondContact N-O 3.12Å; C156-K158 PolarHBondContact O-N 2.83Å | ||
| 159 | A | 84.2 | Confident | 77.2 | Confident | 47 Ų | 47 | 85.8 Ų | 85.8 | 39% | 0.388 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | -68.9 | 174.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L152 H161 | L152-A159 HydrophobicContact CD2-CB 4.11Å; A159-H161 VanDerWaalsContact C-N 3.33Å; A159-H161 PolarHBondContact O-N 3.13Å; A159-H161 PolarHBondContact O-ND1 3.26Å; A159-H161 VanDerWaalsContact O-ND1 3.12Å |
| 160 | N | 79.4 | Confident | 75.2 | Confident | 165 Ų | 165 | 80.1 Ų | 80.1 | 88% | 0.882 | 42% | 0.422 | S | S | * | . | S | Bend | trans | 71.4 | 11.8 | 167.3 | -55.2 | -33.1 | 0 | 0 | 0 | 117.1 | ||
| 161 | H | 84.1 | Confident | 73 | Confident | 46 Ų | 46 | 79.4 Ų | 79.4 | 21% | 0.213 | 42% | 0.424 | C | S | . | . | trans | -156.7 | 158.5 | 170.3 | 65.6 | -74.8 | 0 | 0 | 0 | 112.2 | C153 C156 A159 N165 C166 | C153-H161 WeakPolarHBondContact CA-O 3.32Å; C153-H161 WeakPolarHBondContact CB-NE2 3.35Å; C153-H161 WeakPolarHBondContact CB-O 3.32Å; C153-H161 PolarHBondContact SG-CD2 2.75Å; C153-H161 PolarHBondContact SG-NE2 2.74Å; C156-H161 PolarHBondContact SG-CE1 3.38Å; C156-H161 PolarHBondContact SG-NE2 2.82Å; A159-H161 VanDerWaalsContact C-N 3.33Å; A159-H161 PolarHBondContact O-N 3.13Å; A159-H161 PolarHBondContact O-ND1 3.26Å; A159-H161 VanDerWaalsContact O-ND1 3.12Å; H161-N165 HydrophobicContact CB-CB 4.42Å; H161-C166 WeakPolarHBondContact CD2-CA 3.33Å; H161-C166 PolarHBondContact NE2-SG 3.33Å | ||
| 162 | V | 78.7 | Confident | 70.5 | Confident | 91 Ų | 91 | 77 Ų | 77 | 55% | 0.552 | 41% | 0.414 | S | S | * | . | trans | -96.2 | 163.5 | 170.9 | -64.3 | 0 | 0 | 0 | 0 | 110.3 | K164 N165 C166 | V162-K164 HydrophobicContact CG2-CB 4.09Å; V162-K164 PolarHBondContact O-N 2.96Å; V162-N165 CarbonylContact O-C 3.4Å; V162-N165 PolarHBondContact O-N 2.88Å; V162-C166 PolarHBondContact O-N 2.92Å | ||
| 163 | A | 70.1 | Confident | 68.3 | Low | 48 Ų | 48 | 77 Ų | 77 | 40% | 0.397 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -48.8 | -38.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | V155 N165 C166 | V155-A163 HydrophobicContact CG2-CB 3.44Å; V155-A163 VanDerWaalsContact CG2-CB 3.44Å; A163-N165 PolarHBondContact O-N 3.41Å; A163-C166 WeakPolarHBondContact O-CB 3.38Å; A163-C166 PolarHBondContact O-N 3.37Å |
| 164 | K | 72.9 | Confident | 66.4 | Low | 193 Ų | 193 | 79.9 Ų | 79.9 | 84% | 0.839 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -58.1 | -29.3 | 177.4 | -173.3 | 179.7 | 176.6 | -176.6 | 0 | 113.6 | V162 | V162-K164 HydrophobicContact CG2-CB 4.09Å; V162-K164 PolarHBondContact O-N 2.96Å |
| 165 | N | 76.1 | Confident | 64.8 | Low | 106 Ų | 106 | 81.4 Ų | 81.4 | 57% | 0.567 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -111.2 | 10 | -176.2 | -61.7 | -10.9 | 0 | 0 | 0 | 112.2 | H161 V162 A163 R167 | H161-N165 HydrophobicContact CB-CB 4.42Å; V162-N165 CarbonylContact O-C 3.4Å; V162-N165 PolarHBondContact O-N 2.88Å; A163-N165 PolarHBondContact O-N 3.41Å; N165-R167 PolarHBondContact O-N 2.89Å |
| 166 | C | 76.2 | Confident | 63.2 | Low | 30 Ų | 30 | 82 Ų | 82 | 20% | 0.203 | 45% | 0.448 | C | S | . | . | trans | -70.8 | 124.9 | -178.9 | -168.7 | 0 | 0 | 0 | 0 | 110.7 | V155 C156 H161 V162 A163 | V155-C166 HydrophobicContact CB-CB 4.15Å; V155-C166 HydrophobicContact CG1-CB 4.49Å; V155-C166 HydrophobicContact CG2-CB 4.21Å; C156-C166 VanDerWaalsContact SG-SG 3.68Å; H161-C166 WeakPolarHBondContact CD2-CA 3.33Å; H161-C166 PolarHBondContact NE2-SG 3.33Å; V162-C166 PolarHBondContact O-N 2.92Å; A163-C166 WeakPolarHBondContact O-CB 3.38Å; A163-C166 PolarHBondContact O-N 3.37Å | ||
| 167 | R | 78.8 | Confident | 61.4 | Low | 242 Ų | 242 | 83.3 Ų | 83.3 | 91% | 0.913 | 46% | 0.455 | S | S | * | . | trans | -100.7 | 0 | 176.4 | -62.6 | -174.9 | -178.8 | -173.2 | 0.2 | 113.2 | N165 | N165-R167 PolarHBondContact O-N 2.89Š| ||
| 168 | S | 66.2 | Low | 59.4 | Low | 32 Ų | 32 | 83.9 Ų | 83.9 | 22% | 0.224 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -68.2 | 134.6 | 178.6 | -59 | 0 | 0 | 0 | 0 | 109.7 | C156 G170 | C156-S168 VanDerWaalsContact CB-OG 3.23Å; C156-S168 WeakPolarHBondContact CB-OG 3.48Å; C156-S168 PolarHBondContact SG-OG 2.71Å; S168-G170 PolarHBondContact O-N 3.27Å; S168-G170 VanDerWaalsContact O-N 3.07Å |
| 169 | P | 55.8 | Low | 57.4 | Low | 124 Ų | 124 | 78.7 Ų | 78.7 | 81% | 0.805 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -55.9 | 117.5 | 164.5 | -12.3 | 25.1 | 0 | 0 | 0 | 106.4 | S171 | P169-S171 PolarHBondContact O-N 3.44Š|
| 170 | G | 45 | Very low | 55.1 | Low | 48 Ų | 48 | 78.8 Ų | 78.8 | 50% | 0.495 | 44% | 0.436 | S | S | . | . | trans | -43.4 | 97 | -161.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S168 | S168-G170 PolarHBondContact O-N 3.27Å; S168-G170 VanDerWaalsContact O-N 3.07Å | ||
| 171 | S | 39.8 | Very low | 53 | Low | 50 Ų | 50 | 78 Ų | 78 | 35% | 0.35 | 42% | 0.422 | S | S | . | . | trans | -88.2 | 130.3 | 168.1 | 60.1 | 0 | 0 | 0 | 0 | 107.7 | V155 C156 P169 | V155-S171 CarbonylContact C-O 3.52Å; C156-S171 WeakPolarHBondContact CA-OG 3.24Å; C156-S171 WeakPolarHBondContact CB-OG 3.47Å; P169-S171 PolarHBondContact O-N 3.44Å | ||
| 172 | F | 35.6 | Very low | 50.8 | Low | 127 Ų | 127 | 76.3 Ų | 76.3 | 56% | 0.557 | 42% | 0.415 | S | S | * | . | trans | -47.1 | 127.7 | -167.7 | -97.6 | -123.6 | 0 | 0 | 0 | 116.7 | C180 Y181 | F172-C180 HydrophobicContact CE2-CB 4.36Å; F172-Y181 HydrophobicContact CE1-CE2 4.23Å; F172-Y181 AromaticContact CZ-CE2 3.85Å; F172-Y181 HydrophobicContact CZ-CE2 3.85Å | ||
| 173 | S | 35.6 | Very low | 48.8 | Very low | 14 Ų | 14 | 76 Ų | 76 | 10% | 0.098 | 43% | 0.429 | C | S | . | . | trans | -156.9 | 101.1 | 158.5 | 52.4 | 0 | 0 | 0 | 0 | 110.8 | N154 V155 V175 D176 | N154-S173 WeakPolarHBondContact O-CB 3.46Å; N154-S173 PolarHBondContact O-OG 3.49Å; V155-S173 VanDerWaalsContact C-OG 3.32Å; V155-S173 WeakPolarHBondContact CA-OG 3.49Å; V155-S173 PolarHBondContact N-OG 3.42Å; V155-S173 WeakPolarHBondContact O-CB 3.38Å; V155-S173 PolarHBondContact O-OG 3.22Å; S173-V175 PolarHBondContact O-N 3.17Å; S173-D176 PolarHBondContact O-N 3.49Å | ||
| 174 | V | 36.1 | Very low | 47.6 | Very low | 60 Ų | 60 | 75.5 Ų | 75.5 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 40.9 | -34.3 | 144.5 | -169.6 | 0 | 0 | 0 | 0 | 121.3 | T177 R211 | V174-T177 WeakPolarHBondContact CA-OG1 3.33Å; V174-R211 VanDerWaalsContact CG1-CZ 3.41Å |
| 175 | V | 39 | Very low | 46.3 | Very low | 112 Ų | 112 | 77 Ų | 77 | 68% | 0.679 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -18.7 | 163.1 | -159.1 | 0 | 0 | 0 | 0 | 110.9 | S173 | S173-V175 PolarHBondContact O-N 3.17Š|
| 176 | D | 37 | Very low | 44.9 | Very low | 26 Ų | 26 | 76.4 Ų | 76.4 | 14% | 0.139 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -94.1 | -0.3 | 173.9 | -81.3 | -30.5 | 0 | 0 | 0 | 114.5 | V155 S173 I178 S179 C180 | V155-D176 VanDerWaalsContact CG1-OD2 3.3Å; V155-D176 WeakPolarHBondContact CG1-OD2 3.43Å; V155-D176 WeakPolarHBondContact CG2-OD2 3.39Å; S173-D176 PolarHBondContact O-N 3.49Å; D176-I178 PolarHBondContact O-N 3.12Å; D176-S179 PolarHBondContact O-N 3.29Å; D176-S179 VanDerWaalsContact OD1-CB 3.27Å; D176-S179 WeakPolarHBondContact OD1-CB 3.24Å; D176-C180 WeakPolarHBondContact O-CB 3.46Å; D176-C180 PolarHBondContact O-N 3.08Å |
| 177 | T | 37.8 | Very low | 43.3 | Very low | 33 Ų | 33 | 76.4 Ų | 76.4 | 20% | 0.202 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -19.6 | 167.9 | -42.5 | 0 | 0 | 0 | 0 | 111.4 | V174 Y181 | V174-T177 WeakPolarHBondContact CA-OG1 3.33Å; T177-Y181 HydrophobicContact CG2-CD2 4.39Å; T177-Y181 HydrophobicContact CG2-CE2 4.07Å; T177-Y181 WeakPolarHBondContact O-CD2 3.48Å |
| 178 | I | 39 | Very low | 41.7 | Very low | 34 Ų | 34 | 70.1 Ų | 70.1 | 17% | 0.174 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -22.1 | 177.4 | -69.1 | 145.4 | 0 | 0 | 0 | 112.2 | D176 T182 V191 L195 L207 | D176-I178 PolarHBondContact O-N 3.12Å; I178-T182 VanDerWaalsContact O-CG2 3.26Å; I178-T182 WeakPolarHBondContact O-CG2 3.27Å; I178-T182 PolarHBondContact O-OG1 3.03Å; I178-V191 HydrophobicContact CB-CG1 4.01Å; I178-V191 HydrophobicContact CG1-CG1 3.9Å; I178-V191 HydrophobicContact CG2-CB 3.82Å; I178-V191 HydrophobicContact CG2-CG1 3.39Å; I178-L195 HydrophobicContact CB-CD1 4.27Å; I178-L195 HydrophobicContact CD1-CD1 3.12Å; I178-L195 HydrophobicContact CD1-CD2 4.19Å; I178-L195 HydrophobicContact CD1-CG 4.26Å; I178-L195 HydrophobicContact CG1-CD1 3.56Å; I178-L195 HydrophobicContact CG2-CD1 3.86Å; I178-L207 HydrophobicContact CD1-CD2 3.98Å |
| 179 | S | 37.3 | Very low | 40.9 | Very low | 25 Ų | 25 | 73 Ų | 73 | 18% | 0.175 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -31.1 | -180 | -179.6 | 0 | 0 | 0 | 0 | 112.9 | D176 T182 R188 | D176-S179 PolarHBondContact O-N 3.29Å; D176-S179 VanDerWaalsContact OD1-CB 3.27Å; D176-S179 WeakPolarHBondContact OD1-CB 3.24Å; S179-T182 PolarHBondContact O-OG1 3.45Å; S179-T182 VanDerWaalsContact O-OG1 3.04Å; S179-R188 VanDerWaalsContact OG-CZ 3.26Å; S179-R188 PolarHBondContact OG-NE 3.3Å; S179-R188 PolarHBondContact OG-NH2 2.87Å |
| 180 | C | 36.4 | Very low | 40.2 | Very low | 49 Ų | 49 | 68.5 Ų | 68.5 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -84.6 | -26.6 | -176.7 | -68.5 | 0 | 0 | 0 | 0 | 113.4 | F172 D176 T182 | F172-C180 HydrophobicContact CE2-CB 4.36Å; D176-C180 WeakPolarHBondContact O-CB 3.46Å; D176-C180 PolarHBondContact O-N 3.08Å; C180-T182 PolarHBondContact O-N 2.97Å |
| 181 | Y | 36.8 | Very low | 40.4 | Very low | 148 Ų | 148 | 68.5 Ų | 68.5 | 58% | 0.58 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -78.5 | -2 | 174.7 | -78.3 | -96.8 | 0 | 0 | 0 | 113.3 | F172 T177 | F172-Y181 HydrophobicContact CE1-CE2 4.23Å; F172-Y181 AromaticContact CZ-CE2 3.85Å; F172-Y181 HydrophobicContact CZ-CE2 3.85Å; T177-Y181 HydrophobicContact CG2-CD2 4.39Å; T177-Y181 HydrophobicContact CG2-CE2 4.07Å; T177-Y181 WeakPolarHBondContact O-CD2 3.48Å |
| 182 | T | 35.8 | Very low | 40.9 | Very low | 11 Ų | 11 | 70.8 Ų | 70.8 | 7% | 0.067 | 36% | 0.36 | C | S | . | . | trans | -120.8 | 80.4 | -173.2 | 62.8 | 0 | 0 | 0 | 0 | 108.9 | I178 S179 C180 S184 N187 V191 | I178-T182 VanDerWaalsContact O-CG2 3.26Å; I178-T182 WeakPolarHBondContact O-CG2 3.27Å; I178-T182 PolarHBondContact O-OG1 3.03Å; S179-T182 PolarHBondContact O-OG1 3.45Å; S179-T182 VanDerWaalsContact O-OG1 3.04Å; C180-T182 PolarHBondContact O-N 2.97Å; T182-S184 PolarHBondContact O-N 2.81Å; T182-N187 VanDerWaalsContact CB-C 3.47Å; T182-N187 VanDerWaalsContact CG2-C 3.45Å; T182-N187 HydrophobicContact CG2-CB 3.6Å; T182-N187 WeakPolarHBondContact CG2-O 3.49Å; T182-V191 HydrophobicContact CG2-CB 4.16Å; T182-V191 HydrophobicContact CG2-CG2 3.42Å; T182-V191 VanDerWaalsContact CG2-CG2 3.42Å | ||
| 183 | G | 37.9 | Very low | 41.6 | Very low | 83 Ų | 83 | 65.4 Ų | 65.4 | 86% | 0.856 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -62.8 | 24.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 184 | S | 44.9 | Very low | 42.3 | Very low | 38 Ų | 38 | 66.5 Ų | 66.5 | 27% | 0.266 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -159.7 | 140.6 | 178.9 | 175.5 | 0 | 0 | 0 | 0 | 110 | T182 R186 N187 R188 | T182-S184 PolarHBondContact O-N 2.81Å; S184-R186 PolarHBondContact O-N 3.02Å; S184-R186 PolarHBondContact OG-N 2.83Å; S184-N187 PolarHBondContact O-N 2.99Å; S184-R188 PolarHBondContact O-N 2.98Å |
| 185 | R | 44.5 | Very low | 43.1 | Very low | 224 Ų | 224 | 65.2 Ų | 65.2 | 85% | 0.845 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -46.7 | -30 | 170.3 | -96 | -174.5 | 175.8 | -171 | -0.3 | 112.7 | R188 E189 | R185-R188 WeakPolarHBondContact O-CB 3.39Å; R185-E189 PolarHBondContact O-N 3.44Å |
| 186 | R | 48.2 | Very low | 43.7 | Very low | 94 Ų | 94 | 63.8 Ų | 63.8 | 36% | 0.355 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -77.3 | -33.1 | 179.7 | -60.9 | -176.3 | -134.9 | 153.3 | 3.7 | 113.3 | N77 S184 R188 E189 M190 | N77-R186 PolarHBondContact OD1-NH1 3.38Å; N77-R186 PolarHBondContact OD1-NH2 3.39Å; S184-R186 PolarHBondContact O-N 3.02Å; S184-R186 PolarHBondContact OG-N 2.83Å; R186-R188 VanDerWaalsContact C-N 3.33Å; R186-E189 PolarHBondContact O-N 3.44Å; R186-M190 WeakPolarHBondContact O-CG 3.48Å; R186-M190 PolarHBondContact O-N 3.1Å |
| 187 | N | 42.1 | Very low | 44.1 | Very low | 30 Ų | 30 | 65.2 Ų | 65.2 | 16% | 0.16 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.7 | -31.2 | 172.9 | -83.7 | -21.6 | 0 | 0 | 0 | 110.9 | T182 S184 E189 M190 V191 | T182-N187 VanDerWaalsContact CB-C 3.47Å; T182-N187 VanDerWaalsContact CG2-C 3.45Å; T182-N187 HydrophobicContact CG2-CB 3.6Å; T182-N187 WeakPolarHBondContact CG2-O 3.49Å; S184-N187 PolarHBondContact O-N 2.99Å; N187-E189 VanDerWaalsContact C-N 3.3Å; N187-E189 PolarHBondContact O-N 3Å; N187-M190 PolarHBondContact O-N 2.82Å; N187-V191 WeakPolarHBondContact O-CG2 3.35Å; N187-V191 PolarHBondContact O-N 3.42Å |
| 188 | R | 45.9 | Very low | 44.6 | Very low | 110 Ų | 110 | 64 Ų | 64 | 42% | 0.415 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.4 | -43.2 | 171.3 | -105.8 | -176.5 | 176 | -153 | -0.4 | 112.1 | S179 S184 R185 R186 K192 | S179-R188 VanDerWaalsContact OG-CZ 3.26Å; S179-R188 PolarHBondContact OG-NE 3.3Å; S179-R188 PolarHBondContact OG-NH2 2.87Å; S184-R188 PolarHBondContact O-N 2.98Å; R185-R188 WeakPolarHBondContact O-CB 3.39Å; R186-R188 VanDerWaalsContact C-N 3.33Å; R188-K192 WeakPolarHBondContact O-CB 3.28Å; R188-K192 WeakPolarHBondContact O-CG 3.44Å; R188-K192 PolarHBondContact O-N 3.2Å |
| 189 | E | 47.9 | Very low | 44.6 | Very low | 94 Ų | 94 | 65.5 Ų | 65.5 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.2 | -41.3 | 177.3 | -64 | -54.8 | 120.7 | 0 | 0 | 111.3 | R185 R186 N187 V191 K192 V193 | R185-E189 PolarHBondContact O-N 3.44Å; R186-E189 PolarHBondContact O-N 3.44Å; N187-E189 VanDerWaalsContact C-N 3.3Å; N187-E189 PolarHBondContact O-N 3Å; E189-V191 PolarHBondContact O-N 3.22Å; E189-K192 PolarHBondContact O-N 3.42Å; E189-K192 IonicContact OE1-NZ 3.76Å; E189-K192 PolarHBondContact OE1-NZ 2.8Å; E189-V193 VanDerWaalsContact O-CB 3.23Å; E189-V193 WeakPolarHBondContact O-CB 3.43Å; E189-V193 WeakPolarHBondContact O-CG2 3.44Å; E189-V193 PolarHBondContact O-N 3.43Å |
| 190 | M | 42.8 | Very low | 44.9 | Very low | 28 Ų | 28 | 69.1 Ų | 69.1 | 14% | 0.138 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 176.8 | -67.7 | -68.1 | 178.8 | 0 | 0 | 113.7 | L30 P31 V61 R186 N187 V193 M194 | L30-M190 HydrophobicContact CB-CE 3.98Å; L30-M190 HydrophobicContact CD2-CE 3.36Å; L30-M190 HydrophobicContact CD2-SD 3.25Å; L30-M190 WeakPolarHBondContact CD2-SD 3.32Å; L30-M190 HydrophobicContact CG-CE 4.23Å; P31-M190 HydrophobicContact CG-CE 4.33Å; V61-M190 HydrophobicContact CG1-SD 4.04Å; R186-M190 WeakPolarHBondContact O-CG 3.48Å; R186-M190 PolarHBondContact O-N 3.1Å; N187-M190 PolarHBondContact O-N 2.82Å; M190-V193 WeakPolarHBondContact O-CB 3.38Å; M190-V193 PolarHBondContact O-N 2.85Å; M190-M194 PolarHBondContact O-N 3.34Å |
| 191 | V | 49.2 | Very low | 44.8 | Very low | 48 Ų | 48 | 70.5 Ų | 70.5 | 29% | 0.291 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -79.8 | -36.3 | -178.6 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | I178 T182 N187 E189 V193 M194 L195 | I178-V191 HydrophobicContact CB-CG1 4.01Å; I178-V191 HydrophobicContact CG1-CG1 3.9Å; I178-V191 HydrophobicContact CG2-CB 3.82Å; I178-V191 HydrophobicContact CG2-CG1 3.39Å; T182-V191 HydrophobicContact CG2-CB 4.16Å; T182-V191 HydrophobicContact CG2-CG2 3.42Å; T182-V191 VanDerWaalsContact CG2-CG2 3.42Å; N187-V191 WeakPolarHBondContact O-CG2 3.35Å; N187-V191 PolarHBondContact O-N 3.42Å; E189-V191 PolarHBondContact O-N 3.22Å; V191-V193 PolarHBondContact O-N 2.94Å; V191-M194 PolarHBondContact O-N 3.23Å; V191-L195 HydrophobicContact CG1-CD1 4.2Å; V191-L195 WeakPolarHBondContact O-CD1 3.4Å; V191-L195 WeakPolarHBondContact O-CG 3.4Å; V191-L195 PolarHBondContact O-N 3.02Å |
| 192 | K | 50.4 | Low | 45 | Very low | 99 Ų | 99 | 64.9 Ų | 64.9 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -55.5 | -43.7 | 166.7 | -78 | 174.7 | -173.7 | 173.8 | 0 | 111.1 | R188 E189 L195 T196 | R188-K192 WeakPolarHBondContact O-CB 3.28Å; R188-K192 WeakPolarHBondContact O-CG 3.44Å; R188-K192 PolarHBondContact O-N 3.2Å; E189-K192 PolarHBondContact O-N 3.42Å; E189-K192 IonicContact OE1-NZ 3.76Å; E189-K192 PolarHBondContact OE1-NZ 2.8Å; K192-L195 PolarHBondContact O-N 3.47Å; K192-T196 VanDerWaalsContact O-CG2 3.31Å; K192-T196 WeakPolarHBondContact O-CG2 3.49Å; K192-T196 PolarHBondContact O-N 3.45Å; K192-T196 PolarHBondContact O-OG1 3.33Å |
| 193 | V | 50.3 | Low | 45.7 | Very low | 14 Ų | 14 | 69.4 Ų | 69.4 | 9% | 0.085 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 178.3 | 164.7 | 0 | 0 | 0 | 0 | 110.6 | K29 E189 M190 V191 L195 T196 L197 | K29-V193 HydrophobicContact CB-CB 4.11Å; K29-V193 HydrophobicContact CB-CG1 3.4Å; K29-V193 HydrophobicContact CB-CG2 3.55Å; K29-V193 HydrophobicContact CD-CG2 4.02Å; K29-V193 HydrophobicContact CG-CG1 3.79Å; K29-V193 HydrophobicContact CG-CG2 3.96Å; E189-V193 VanDerWaalsContact O-CB 3.23Å; E189-V193 WeakPolarHBondContact O-CB 3.43Å; E189-V193 WeakPolarHBondContact O-CG2 3.44Å; E189-V193 PolarHBondContact O-N 3.43Å; M190-V193 WeakPolarHBondContact O-CB 3.38Å; M190-V193 PolarHBondContact O-N 2.85Å; V191-V193 PolarHBondContact O-N 2.94Å; V193-L195 VanDerWaalsContact C-N 3.32Å; V193-L195 PolarHBondContact O-N 3.33Å; V193-T196 WeakPolarHBondContact CA-OG1 3.45Å; V193-T196 PolarHBondContact O-N 2.94Å; V193-T196 PolarHBondContact O-OG1 3.41Å; V193-L197 HydrophobicContact CG1-CD1 3.95Å; V193-L197 WeakPolarHBondContact O-CD1 3.45Å; V193-L197 VanDerWaalsContact O-CG 3.22Å; V193-L197 WeakPolarHBondContact O-CG 3.42Å; V193-L197 PolarHBondContact O-N 3.45Å |
| 194 | M | 49 | Very low | 46.1 | Very low | 36 Ų | 36 | 75.1 Ų | 75.1 | 18% | 0.177 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.3 | -39.2 | 175.6 | -80.4 | -144.1 | 156.4 | 0 | 0 | 113.6 | M1 M26 T58 M190 V191 L197 | M1-M194 HydrophobicContact CG-CE 3.5Å; M1-M194 HydrophobicContact CG-SD 3.69Å; M1-M194 HydrophobicContact SD-CE 3.5Å; M1-M194 WeakPolarHBondContact SD-CE 3.37Å; M1-M194 HydrophobicContact SD-SD 4.38Å; M26-M194 HydrophobicContact CE-CE 3.88Å; T58-M194 HydrophobicContact CG2-CE 3.73Å; M190-M194 PolarHBondContact O-N 3.34Å; V191-M194 PolarHBondContact O-N 3.23Å; M194-L197 PolarHBondContact O-N 3.39Å |
| 195 | L | 52.2 | Low | 45.7 | Very low | 34 Ų | 34 | 77.6 Ų | 77.6 | 18% | 0.178 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -74.7 | -28.5 | 178.6 | -69 | 153.1 | 0 | 0 | 0 | 113.6 | I178 V191 K192 V193 L197 I198 R203 L207 | I178-L195 HydrophobicContact CB-CD1 4.27Å; I178-L195 HydrophobicContact CD1-CD1 3.12Å; I178-L195 HydrophobicContact CD1-CD2 4.19Å; I178-L195 HydrophobicContact CD1-CG 4.26Å; I178-L195 HydrophobicContact CG1-CD1 3.56Å; I178-L195 HydrophobicContact CG2-CD1 3.86Å; V191-L195 HydrophobicContact CG1-CD1 4.2Å; V191-L195 WeakPolarHBondContact O-CD1 3.4Å; V191-L195 WeakPolarHBondContact O-CG 3.4Å; V191-L195 PolarHBondContact O-N 3.02Å; K192-L195 PolarHBondContact O-N 3.47Å; V193-L195 VanDerWaalsContact C-N 3.32Å; V193-L195 PolarHBondContact O-N 3.33Å; L195-L197 PolarHBondContact O-N 2.98Å; L195-I198 HydrophobicContact CD2-CD1 4.16Å; L195-R203 PolarHBondContact O-NE 2.99Å; L195-R203 VanDerWaalsContact O-NE 3.12Å; L195-L207 HydrophobicContact CD2-CD2 3.94Å; L195-L207 HydrophobicContact CD2-CG 4.49Å |
| 196 | T | 52 | Low | 45.5 | Very low | 81 Ų | 81 | 67.2 Ų | 67.2 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -71.8 | -20.9 | 174.3 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | K192 V193 R203 | K192-T196 VanDerWaalsContact O-CG2 3.31Å; K192-T196 WeakPolarHBondContact O-CG2 3.49Å; K192-T196 PolarHBondContact O-N 3.45Å; K192-T196 PolarHBondContact O-OG1 3.33Å; V193-T196 WeakPolarHBondContact CA-OG1 3.45Å; V193-T196 PolarHBondContact O-N 2.94Å; V193-T196 PolarHBondContact O-OG1 3.41Å; T196-R203 PolarHBondContact O-NH2 3.05Å |
| 197 | L | 46.8 | Very low | 45.4 | Very low | 56 Ų | 56 | 65.9 Ų | 65.9 | 29% | 0.293 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -10.2 | 179.2 | -66.7 | 164.3 | 0 | 0 | 0 | 113.5 | T25 M26 V193 M194 L195 | T25-L197 HydrophobicContact CG2-CD2 3.83Å; M26-L197 HydrophobicContact CE-CD1 4.33Å; M26-L197 HydrophobicContact CG-CD1 3.45Å; M26-L197 VanDerWaalsContact CG-CD1 3.45Å; M26-L197 HydrophobicContact SD-CD1 4.45Å; V193-L197 HydrophobicContact CG1-CD1 3.95Å; V193-L197 WeakPolarHBondContact O-CD1 3.45Å; V193-L197 VanDerWaalsContact O-CG 3.22Å; V193-L197 WeakPolarHBondContact O-CG 3.42Å; V193-L197 PolarHBondContact O-N 3.45Å; M194-L197 PolarHBondContact O-N 3.39Å; L195-L197 PolarHBondContact O-N 2.98Å |
| 198 | I | 47.2 | Very low | 45.4 | Very low | 7 Ų | 7 | 67.2 Ų | 67.2 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -81.9 | 124.9 | 172.3 | -59.5 | 164.2 | 0 | 0 | 0 | 107.6 | L195 S200 L202 R203 V206 | L195-I198 HydrophobicContact CD2-CD1 4.16Å; I198-S200 PolarHBondContact O-N 3.46Å; I198-L202 VanDerWaalsContact CG2-C 3.44Å; I198-L202 HydrophobicContact CG2-CB 3.54Å; I198-R203 HydrophobicContact CB-CG 4.07Å; I198-R203 HydrophobicContact CG2-CG 4Å; I198-R203 PolarHBondContact O-NE 3.04Å; I198-V206 HydrophobicContact CD1-CB 3.83Å; I198-V206 HydrophobicContact CD1-CG1 3.66Å; I198-V206 HydrophobicContact CD1-CG2 3.91Å; I198-V206 HydrophobicContact CG1-CG2 4.5Å; I198-V206 HydrophobicContact CG2-CG2 4.19Å |
| 199 | P | 39.7 | Very low | 45.1 | Very low | 66 Ų | 66 | 64.7 Ų | 64.7 | 43% | 0.429 | 34% | 0.342 | S | S | . | . | trans | -46.5 | 140.6 | 171.8 | -29.6 | 36.6 | 0 | 0 | 0 | 110.9 | S201 L202 R203 | P199-S201 WeakPolarHBondContact CB-OG 3.41Å; P199-S201 PolarHBondContact O-N 3.27Å; P199-L202 HydrophobicContact CB-CD1 4.2Å; P199-L202 HydrophobicContact CG-CD1 4.02Å; P199-L202 PolarHBondContact O-N 3.43Å; P199-R203 PolarHBondContact O-N 2.85Å | ||
| 200 | S | 42.1 | Very low | 44.8 | Very low | 101 Ų | 101 | 64.8 Ų | 64.8 | 71% | 0.706 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -29.8 | -176.7 | 48.4 | 0 | 0 | 0 | 0 | 112.9 | I198 L202 | I198-S200 PolarHBondContact O-N 3.46Å; S200-L202 VanDerWaalsContact C-N 3.31Å; S200-L202 PolarHBondContact O-N 2.96Å |
| 201 | S | 35.8 | Very low | 44.6 | Very low | 79 Ų | 79 | 67.1 Ų | 67.1 | 55% | 0.552 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -33.1 | 172.8 | 45.6 | 0 | 0 | 0 | 0 | 114 | P199 | P199-S201 WeakPolarHBondContact CB-OG 3.41Å; P199-S201 PolarHBondContact O-N 3.27Å |
| 202 | L | 40.3 | Very low | 44.1 | Very low | 30 Ų | 30 | 71.9 Ų | 71.9 | 16% | 0.157 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -5 | -169.2 | -65.6 | 170.3 | 0 | 0 | 0 | 113.6 | M11 I198 P199 S200 R204 D205 V206 | M11-L202 HydrophobicContact CE-CD1 3.55Å; M11-L202 HydrophobicContact CE-CD2 4.08Å; M11-L202 HydrophobicContact CE-CG 4.31Å; M11-L202 HydrophobicContact SD-CD1 3.8Å; M11-L202 HydrophobicContact SD-CD2 3.36Å; M11-L202 WeakPolarHBondContact SD-CD2 2.98Å; M11-L202 HydrophobicContact SD-CG 4.17Å; I198-L202 VanDerWaalsContact CG2-C 3.44Å; I198-L202 HydrophobicContact CG2-CB 3.54Å; P199-L202 HydrophobicContact CB-CD1 4.2Å; P199-L202 HydrophobicContact CG-CD1 4.02Å; P199-L202 PolarHBondContact O-N 3.43Å; S200-L202 VanDerWaalsContact C-N 3.31Å; S200-L202 PolarHBondContact O-N 2.96Å; L202-R204 PolarHBondContact O-N 3.15Å; L202-D205 PolarHBondContact O-N 3.26Å; L202-V206 PolarHBondContact O-N 3.48Å |
| 203 | R | 51.4 | Low | 43.4 | Very low | 105 Ų | 105 | 77.3 Ų | 77.3 | 40% | 0.396 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.5 | -29.3 | 178.4 | -76.1 | -176.4 | -175.6 | 171.4 | 3.7 | 112.7 | L195 T196 I198 P199 L207 | L195-R203 PolarHBondContact O-NE 2.99Å; L195-R203 VanDerWaalsContact O-NE 3.12Å; T196-R203 PolarHBondContact O-NH2 3.05Å; I198-R203 HydrophobicContact CB-CG 4.07Å; I198-R203 HydrophobicContact CG2-CG 4Å; I198-R203 PolarHBondContact O-NE 3.04Å; P199-R203 PolarHBondContact O-N 2.85Å; R203-L207 WeakPolarHBondContact O-CB 3.43Å; R203-L207 VanDerWaalsContact O-CD1 3.24Å; R203-L207 WeakPolarHBondContact O-CD1 3.43Å; R203-L207 WeakPolarHBondContact O-CG 3.37Å; R203-L207 PolarHBondContact O-N 2.96Å |
| 204 | R | 44.5 | Very low | 43 | Very low | 203 Ų | 203 | 80.5 Ų | 80.5 | 77% | 0.766 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -74 | -39.7 | 178.3 | -77.5 | -171.9 | -77.6 | -137.7 | -1.2 | 112.1 | L202 L207 S208 | L202-R204 PolarHBondContact O-N 3.15Å; R204-L207 PolarHBondContact O-N 3.1Å; R204-S208 PolarHBondContact O-N 3.27Å |
| 205 | D | 38.5 | Very low | 42.7 | Very low | 90 Ų | 90 | 82.8 Ų | 82.8 | 48% | 0.481 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -74.3 | -42 | -174.8 | -55.3 | -29.9 | 0 | 0 | 0 | 111.3 | L202 L207 S208 V209 | L202-D205 PolarHBondContact O-N 3.26Å; D205-L207 VanDerWaalsContact C-N 3.27Å; D205-L207 PolarHBondContact O-N 3.08Å; D205-S208 WeakPolarHBondContact O-CB 3.27Å; D205-S208 PolarHBondContact O-N 3.46Å; D205-S208 PolarHBondContact O-OG 3.26Å; D205-V209 PolarHBondContact O-N 3.18Å |
| 206 | V | 39.7 | Very low | 42.2 | Very low | 7 Ų | 7 | 85.5 Ų | 85.5 | 4% | 0.042 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.9 | -34.2 | 175.4 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | I198 L202 S208 Y210 | I198-V206 HydrophobicContact CD1-CB 3.83Å; I198-V206 HydrophobicContact CD1-CG1 3.66Å; I198-V206 HydrophobicContact CD1-CG2 3.91Å; I198-V206 HydrophobicContact CG1-CG2 4.5Å; I198-V206 HydrophobicContact CG2-CG2 4.19Å; L202-V206 PolarHBondContact O-N 3.48Å; V206-S208 VanDerWaalsContact C-N 3.27Å; V206-S208 PolarHBondContact O-N 2.9Å; V206-Y210 HydrophobicContact CG1-CD2 4.18Å; V206-Y210 HydrophobicContact CG1-CE2 4.07Å; V206-Y210 VanDerWaalsContact O-CD2 3.3Å; V206-Y210 WeakPolarHBondContact O-CD2 3.39Å |
| 207 | L | 46.4 | Very low | 41.6 | Very low | 66 Ų | 66 | 85.8 Ų | 85.8 | 35% | 0.346 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -73.3 | -15 | 175.6 | -70.1 | 173.7 | 0 | 0 | 0 | 114 | I178 L195 R203 R204 D205 | I178-L207 HydrophobicContact CD1-CD2 3.98Å; L195-L207 HydrophobicContact CD2-CD2 3.94Å; L195-L207 HydrophobicContact CD2-CG 4.49Å; R203-L207 WeakPolarHBondContact O-CB 3.43Å; R203-L207 VanDerWaalsContact O-CD1 3.24Å; R203-L207 WeakPolarHBondContact O-CD1 3.43Å; R203-L207 WeakPolarHBondContact O-CG 3.37Å; R203-L207 PolarHBondContact O-N 2.96Å; R204-L207 PolarHBondContact O-N 3.1Å; D205-L207 VanDerWaalsContact C-N 3.27Å; D205-L207 PolarHBondContact O-N 3.08Å |
| 208 | S | 41.8 | Very low | 41.3 | Very low | 57 Ų | 57 | 87.6 Ų | 87.6 | 40% | 0.399 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -81.1 | -42.5 | 174.8 | 75.4 | 0 | 0 | 0 | 0 | 111.8 | R204 D205 V206 Y210 R211 | R204-S208 PolarHBondContact O-N 3.27Å; D205-S208 WeakPolarHBondContact O-CB 3.27Å; D205-S208 PolarHBondContact O-N 3.46Å; D205-S208 PolarHBondContact O-OG 3.26Å; V206-S208 VanDerWaalsContact C-N 3.27Å; V206-S208 PolarHBondContact O-N 2.9Å; S208-Y210 VanDerWaalsContact C-N 3.29Å; S208-Y210 PolarHBondContact O-N 3.4Å; S208-R211 WeakPolarHBondContact O-CB 3.43Å; S208-R211 PolarHBondContact O-N 3.46Å |
| 209 | V | 39.7 | Very low | 40.9 | Very low | 57 Ų | 57 | 93 Ų | 93 | 35% | 0.345 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.6 | -33.5 | 179.4 | 177 | 0 | 0 | 0 | 0 | 112.4 | A3 T7 D205 R211 | A3-V209 HydrophobicContact CB-CG1 4.31Å; T7-V209 HydrophobicContact CG2-CG2 4.05Å; D205-V209 PolarHBondContact O-N 3.18Å; V209-R211 PolarHBondContact O-N 3.21Å |
| 210 | Y | 41.3 | Very low | 41 | Very low | 96 Ų | 96 | 94.9 Ų | 94.9 | 38% | 0.376 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 0.5 | 175.5 | -86.7 | -89.6 | 0 | 0 | 0 | 114.1 | M1 A3 V206 S208 | M1-Y210 PolarHBondContact N-OH 3.39Å; A3-Y210 HydrophobicContact CB-CE2 4.19Å; V206-Y210 HydrophobicContact CG1-CD2 4.18Å; V206-Y210 HydrophobicContact CG1-CE2 4.07Å; V206-Y210 VanDerWaalsContact O-CD2 3.3Å; V206-Y210 WeakPolarHBondContact O-CD2 3.39Å; S208-Y210 VanDerWaalsContact C-N 3.29Å; S208-Y210 PolarHBondContact O-N 3.4Å |
| 211 | R | 38.9 | Very low | 40.9 | Very low | 78 Ų | 78 | 94.5 Ų | 94.5 | 29% | 0.294 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -14.5 | -176.4 | -140.8 | -173.5 | -76.8 | -141.3 | 4.6 | 113.6 | V140 V174 S208 V209 | V140-R211 VanDerWaalsContact CG1-NH2 3.28Å; V174-R211 VanDerWaalsContact CG1-CZ 3.41Å; S208-R211 WeakPolarHBondContact O-CB 3.43Å; S208-R211 PolarHBondContact O-N 3.46Å; V209-R211 PolarHBondContact O-N 3.21Å |
| 212 | D | 37.8 | Very low | 41.3 | Very low | 148 Ų | 148 | 95.8 Ų | 95.8 | 79% | 0.791 | 45% | 0.449 | S | S | * | . | trans | -110.5 | 18 | -174.9 | -65.4 | -24.5 | 0 | 0 | 0 | 113.7 | ||||
| 213 | Q | 35.2 | Very low | 41.4 | Very low | 212 Ų | 212 | 101.7 Ų | 101.7 | 99% | 0.991 | 48% | 0.475 | S | S | * | . | trans | -128.8 | 0 | 173.6 | -103.1 | 174.2 | 17.3 | 0 | 0 | 110.8 |
Retrieved 213 of 213 residues in 232.4 ms
(Link to these results)