| 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 | 59.4 | Low | 72.9 | Confident | 172 Ų | 172 | 74.2 Ų | 74.2 | 85% | 0.847 | 39% | 0.394 | S | S | * | . | 0 | 117.7 | 0 | -171 | 154.5 | 171.7 | 0 | 0 | 105.2 | I6 E9 | M1-I6 HydrophobicContact CB-CD1 4.33Å; M1-I6 HydrophobicContact CE-CG1 4.03Å; M1-I6 HydrophobicContact CG-CD1 4.04Å; M1-I6 HydrophobicContact CG-CG1 3.77Å; M1-I6 HydrophobicContact SD-CG1 4.36Å; M1-E9 WeakPolarHBondContact CE-OE2 3.18Å | |||
| 2 | D | 70.5 | Confident | 72.9 | Confident | 108 Ų | 108 | 70.7 Ų | 70.7 | 58% | 0.578 | 39% | 0.388 | S | S | * | . | trans | -66.1 | 136 | -171.9 | -55 | -45.4 | 0 | 0 | 0 | 110.4 | V4 N5 I6 | D2-V4 PolarHBondContact O-N 3.39Å; D2-N5 HydrophobicContact CB-CB 4.17Å; D2-N5 WeakPolarHBondContact O-CA 3.43Å; D2-N5 WeakPolarHBondContact O-CB 3.41Å; D2-N5 PolarHBondContact O-N 3.32Å; D2-N5 PolarHBondContact OD2-ND2 3.21Å; D2-I6 PolarHBondContact O-N 3.35Å; D2-I6 VanDerWaalsContact O-N 3.07Å | ||
| 3 | T | 71.3 | Confident | 73 | Confident | 31 Ų | 31 | 78.6 Ų | 78.6 | 19% | 0.19 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -54.8 | -41.3 | -179.3 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | N5 I6 A7 W77 | T3-N5 PolarHBondContact O-N 3.28Å; T3-I6 WeakPolarHBondContact O-CB 3.35Å; T3-I6 PolarHBondContact O-N 3.21Å; T3-A7 PolarHBondContact O-N 2.83Å; T3-W77 HydrophobicContact CG2-CH2 3.55Å; T3-W77 HydrophobicContact CG2-CZ2 4.38Å; T3-W77 HydrophobicContact CG2-CZ3 4.4Å |
| 4 | V | 73.3 | Confident | 72.8 | Confident | 29 Ų | 29 | 79.8 Ų | 79.8 | 18% | 0.176 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 174.6 | 179.1 | 0 | 0 | 0 | 0 | 112.4 | D2 A7 K8 E20 I23 | D2-V4 PolarHBondContact O-N 3.39Å; V4-A7 PolarHBondContact O-N 3.42Å; V4-K8 HydrophobicContact CG1-CD 4.49Å; V4-K8 WeakPolarHBondContact O-CG 3.27Å; V4-K8 PolarHBondContact O-N 2.91Å; V4-E20 HydrophobicContact CG2-CB 4.11Å; V4-I23 HydrophobicContact CB-CD1 4.3Å; V4-I23 HydrophobicContact CG2-CD1 3.89Å |
| 5 | N | 77.6 | Confident | 72.5 | Confident | 76 Ų | 76 | 80.5 Ų | 80.5 | 41% | 0.406 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.1 | -38.4 | 178.9 | -74.8 | -29.8 | 0 | 0 | 0 | 111 | D2 T3 K8 E9 | D2-N5 HydrophobicContact CB-CB 4.17Å; D2-N5 WeakPolarHBondContact O-CA 3.43Å; D2-N5 WeakPolarHBondContact O-CB 3.41Å; D2-N5 PolarHBondContact O-N 3.32Å; D2-N5 PolarHBondContact OD2-ND2 3.21Å; T3-N5 PolarHBondContact O-N 3.28Å; N5-K8 PolarHBondContact O-N 2.91Å; N5-E9 PolarHBondContact O-N 3.32Å |
| 6 | I | 76.2 | Confident | 72.3 | Confident | 27 Ų | 27 | 78.6 Ų | 78.6 | 14% | 0.138 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 173.7 | -63.5 | 168 | 0 | 0 | 0 | 110.4 | M1 D2 T3 K8 E9 L10 F76 | M1-I6 HydrophobicContact CB-CD1 4.33Å; M1-I6 HydrophobicContact CE-CG1 4.03Å; M1-I6 HydrophobicContact CG-CD1 4.04Å; M1-I6 HydrophobicContact CG-CG1 3.77Å; M1-I6 HydrophobicContact SD-CG1 4.36Å; D2-I6 PolarHBondContact O-N 3.35Å; D2-I6 VanDerWaalsContact O-N 3.07Å; T3-I6 WeakPolarHBondContact O-CB 3.35Å; T3-I6 PolarHBondContact O-N 3.21Å; I6-K8 VanDerWaalsContact C-N 3.29Å; I6-K8 PolarHBondContact O-N 3.37Å; I6-E9 PolarHBondContact O-N 3.22Å; I6-E9 VanDerWaalsContact O-N 3.1Å; I6-L10 HydrophobicContact CG2-CD1 3.8Å; I6-L10 HydrophobicContact CG2-CG 4.3Å; I6-L10 WeakPolarHBondContact O-CG 3.5Å; I6-L10 PolarHBondContact O-N 3.24Å; I6-F76 HydrophobicContact CG2-CD1 3.97Å; I6-F76 HydrophobicContact CG2-CE1 3.38Å; I6-F76 HydrophobicContact CG2-CZ 4.21Å |
| 7 | A | 71.7 | Confident | 72.6 | Confident | 16 Ų | 16 | 81.1 Ų | 81.1 | 13% | 0.132 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -59.8 | -40 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T3 V4 G11 M18 I23 | T3-A7 PolarHBondContact O-N 2.83Å; V4-A7 PolarHBondContact O-N 3.42Å; A7-G11 PolarHBondContact O-N 2.78Å; A7-M18 HydrophobicContact CB-CE 3.63Å; A7-I23 HydrophobicContact CB-CD1 3.77Å |
| 8 | K | 74.1 | Confident | 72.9 | Confident | 83 Ų | 83 | 79.5 Ų | 79.5 | 36% | 0.361 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 173.4 | -74.4 | 174.1 | -175 | 177.2 | 0 | 112.5 | V4 N5 I6 G12 | V4-K8 HydrophobicContact CG1-CD 4.49Å; V4-K8 WeakPolarHBondContact O-CG 3.27Å; V4-K8 PolarHBondContact O-N 2.91Å; N5-K8 PolarHBondContact O-N 2.91Å; I6-K8 VanDerWaalsContact C-N 3.29Å; I6-K8 PolarHBondContact O-N 3.37Å; K8-G12 CarbonylContact O-C 3.58Å; K8-G12 VanDerWaalsContact O-CA 3.3Å; K8-G12 WeakPolarHBondContact O-CA 3.3Å; K8-G12 PolarHBondContact O-N 3.36Å |
| 9 | E | 77 | Confident | 73.2 | Confident | 144 Ų | 144 | 80.4 Ų | 80.4 | 67% | 0.673 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -67.7 | -38.6 | -179.6 | -168.7 | 173.8 | 178.8 | 0 | 0 | 111.9 | M1 N5 I6 | M1-E9 WeakPolarHBondContact CE-OE2 3.18Å; N5-E9 PolarHBondContact O-N 3.32Å; I6-E9 PolarHBondContact O-N 3.22Å; I6-E9 VanDerWaalsContact O-N 3.1Å |
| 10 | L | 76.4 | Confident | 73.4 | Confident | 101 Ų | 101 | 82.4 Ų | 82.4 | 53% | 0.529 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -82.5 | -44.3 | -178.6 | -65.3 | 173.5 | 0 | 0 | 0 | 114.2 | I6 F76 | I6-L10 HydrophobicContact CG2-CD1 3.8Å; I6-L10 HydrophobicContact CG2-CG 4.3Å; I6-L10 WeakPolarHBondContact O-CG 3.5Å; I6-L10 PolarHBondContact O-N 3.24Å; L10-F76 HydrophobicContact CD1-CD1 3.63Å; L10-F76 HydrophobicContact CD1-CD2 3.76Å; L10-F76 HydrophobicContact CD1-CE1 3.55Å; L10-F76 HydrophobicContact CD1-CE2 3.67Å; L10-F76 HydrophobicContact CD1-CG 3.74Å; L10-F76 HydrophobicContact CD1-CZ 3.56Å; L10-F76 HydrophobicContact CD2-CD2 4.01Å; L10-F76 HydrophobicContact CD2-CE1 4.34Å; L10-F76 HydrophobicContact CD2-CE2 3.26Å; L10-F76 HydrophobicContact CD2-CZ 3.47Å; L10-F76 VanDerWaalsContact CD2-CZ 3.47Å; L10-F76 HydrophobicContact CG-CE1 4.28Å; L10-F76 HydrophobicContact CG-CE2 4.01Å; L10-F76 HydrophobicContact CG-CZ 3.87Å |
| 11 | G | 75 | Confident | 73.6 | Confident | 29 Ų | 29 | 84.1 Ų | 84.1 | 30% | 0.299 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -90.3 | -15.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A7 F15 | A7-G11 PolarHBondContact O-N 2.78Å; G11-F15 VanDerWaalsContact CA-CE2 3.42Å; G11-F15 WeakPolarHBondContact O-CD2 3.43Å; G11-F15 VanDerWaalsContact O-CE2 3.25Å; G11-F15 WeakPolarHBondContact O-CE2 3.5Å |
| 12 | G | 72.1 | Confident | 74.7 | Confident | 32 Ų | 32 | 79.2 Ų | 79.2 | 33% | 0.33 | 43% | 0.433 | S | S | . | . | trans | 78.5 | -174.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K8 S14 F15 | K8-G12 CarbonylContact O-C 3.58Å; K8-G12 VanDerWaalsContact O-CA 3.3Å; K8-G12 WeakPolarHBondContact O-CA 3.3Å; K8-G12 PolarHBondContact O-N 3.36Å; G12-S14 PolarHBondContact O-N 3.09Å; G12-S14 VanDerWaalsContact O-N 3.07Å; G12-F15 PolarHBondContact O-N 3.03Å | ||
| 13 | E | 74.8 | Confident | 75 | Confident | 174 Ų | 174 | 74.9 Ų | 74.9 | 81% | 0.813 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -63.2 | -21.3 | -168.4 | -156.8 | 160 | -154.6 | 0 | 0 | 113.8 | F15 S16 | E13-F15 PolarHBondContact O-N 3.19Å; E13-S16 WeakPolarHBondContact O-CB 3.49Å; E13-S16 PolarHBondContact O-N 3.18Å; E13-S16 VanDerWaalsContact O-N 3.11Å; E13-S16 PolarHBondContact O-OG 3.37Å |
| 14 | S | 70.3 | Confident | 75.3 | Confident | 95 Ų | 95 | 75.7 Ų | 75.7 | 66% | 0.664 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -65 | -24.2 | 175.1 | 52.4 | 0 | 0 | 0 | 0 | 113.9 | G12 S16 | G12-S14 PolarHBondContact O-N 3.09Å; G12-S14 VanDerWaalsContact O-N 3.07Å; S14-S16 VanDerWaalsContact C-N 3.31Å |
| 15 | F | 68.3 | Low | 75.5 | Confident | 91 Ų | 91 | 80.7 Ų | 80.7 | 40% | 0.399 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -88.7 | -0.9 | 177.6 | -69.8 | -94.6 | 0 | 0 | 0 | 112.5 | G11 G12 E13 V17 M18 | G11-F15 VanDerWaalsContact CA-CE2 3.42Å; G11-F15 WeakPolarHBondContact O-CD2 3.43Å; G11-F15 VanDerWaalsContact O-CE2 3.25Å; G11-F15 WeakPolarHBondContact O-CE2 3.5Å; G12-F15 PolarHBondContact O-N 3.03Å; E13-F15 PolarHBondContact O-N 3.19Å; F15-V17 PolarHBondContact O-N 3.32Å; F15-M18 HydrophobicContact CB-CE 3.94Å; F15-M18 HydrophobicContact CD1-CE 3.59Å; F15-M18 HydrophobicContact CD1-SD 3.8Å; F15-M18 HydrophobicContact CG-CE 4.23Å; F15-M18 PolarHBondContact O-N 3.08Å; F15-M18 VanDerWaalsContact O-N 3.17Å |
| 16 | S | 69.1 | Low | 75.3 | Confident | 50 Ų | 50 | 83.3 Ų | 83.3 | 35% | 0.35 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -66.4 | -16.5 | -179.5 | 67.5 | 0 | 0 | 0 | 0 | 114.9 | E13 S14 | E13-S16 WeakPolarHBondContact O-CB 3.49Å; E13-S16 PolarHBondContact O-N 3.18Å; E13-S16 VanDerWaalsContact O-N 3.11Å; E13-S16 PolarHBondContact O-OG 3.37Å; S14-S16 VanDerWaalsContact C-N 3.31Å |
| 17 | V | 76.4 | Confident | 75.1 | Confident | 120 Ų | 120 | 84.8 Ų | 84.8 | 73% | 0.727 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -79 | -22.4 | 178.1 | -175.8 | 0 | 0 | 0 | 0 | 111.7 | F15 I19 | F15-V17 PolarHBondContact O-N 3.32Å; V17-I19 PolarHBondContact O-N 2.88Å |
| 18 | M | 77.9 | Confident | 75.1 | Confident | 53 Ų | 53 | 90.9 Ų | 90.9 | 26% | 0.261 | 48% | 0.479 | S | S | . | . | trans | -66 | 128.3 | -179.8 | -62.4 | -169.4 | -46.3 | 0 | 0 | 110.1 | A7 F15 I23 | A7-M18 HydrophobicContact CB-CE 3.63Å; F15-M18 HydrophobicContact CB-CE 3.94Å; F15-M18 HydrophobicContact CD1-CE 3.59Å; F15-M18 HydrophobicContact CD1-SD 3.8Å; F15-M18 HydrophobicContact CG-CE 4.23Å; F15-M18 PolarHBondContact O-N 3.08Å; F15-M18 VanDerWaalsContact O-N 3.17Å; M18-I23 HydrophobicContact CB-CD1 4.45Å; M18-I23 HydrophobicContact CB-CG1 4.27Å; M18-I23 HydrophobicContact CE-CD1 4.3Å; M18-I23 HydrophobicContact CE-CG1 4.05Å | ||
| 19 | I | 78.6 | Confident | 75 | Confident | 96 Ų | 96 | 93.3 Ų | 93.3 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | trans | -87.7 | 165.2 | 173.7 | 58 | 168.2 | 0 | 0 | 0 | 110.1 | V17 D21 D22 I23 | V17-I19 PolarHBondContact O-N 2.88Å; I19-D21 HydrophobicContact CD1-CB 4.09Å; I19-D21 HydrophobicContact CG1-CB 4.32Å; I19-D21 PolarHBondContact O-N 2.91Å; I19-D22 HydrophobicContact CG1-CB 4.42Å; I19-D22 WeakPolarHBondContact CG1-OD2 3.44Å; I19-D22 PolarHBondContact N-OD2 3.01Å; I19-D22 PolarHBondContact O-N 3.32Å; I19-I23 PolarHBondContact O-N 3.21Å | ||
| 20 | E | 77.5 | Confident | 74.5 | Confident | 121 Ų | 121 | 88 Ų | 88 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -56.3 | -35.9 | -179.2 | -174.7 | 172.9 | -173.5 | 0 | 0 | 112.5 | V4 I23 T24 | V4-E20 HydrophobicContact CG2-CB 4.11Å; E20-I23 PolarHBondContact O-N 3.38Å; E20-T24 WeakPolarHBondContact O-CB 3.45Å; E20-T24 PolarHBondContact O-N 3.09Å; E20-T24 PolarHBondContact O-OG1 3.31Å |
| 21 | D | 78.6 | Confident | 73.8 | Confident | 119 Ų | 119 | 86.1 Ų | 86.1 | 64% | 0.636 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.1 | -45.7 | 177.3 | -73.3 | -2.3 | 0 | 0 | 0 | 112 | I19 I23 T24 E25 | I19-D21 HydrophobicContact CD1-CB 4.09Å; I19-D21 HydrophobicContact CG1-CB 4.32Å; I19-D21 PolarHBondContact O-N 2.91Å; D21-I23 PolarHBondContact O-N 3.18Å; D21-T24 PolarHBondContact O-N 3.17Å; D21-E25 WeakPolarHBondContact O-CB 3.36Å; D21-E25 PolarHBondContact O-N 3.27Å |
| 22 | D | 81.6 | Confident | 73.6 | Confident | 69 Ų | 69 | 92.9 Ų | 92.9 | 37% | 0.369 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.8 | -38.3 | 179.2 | -58.9 | -23.9 | 0 | 0 | 0 | 111.4 | I19 H26 | I19-D22 HydrophobicContact CG1-CB 4.42Å; I19-D22 WeakPolarHBondContact CG1-OD2 3.44Å; I19-D22 PolarHBondContact N-OD2 3.01Å; I19-D22 PolarHBondContact O-N 3.32Å; D22-H26 WeakPolarHBondContact O-CB 3.49Å; D22-H26 PolarHBondContact O-N 3.47Å |
| 23 | I | 76.4 | Confident | 73.2 | Confident | 17 Ų | 17 | 96 Ų | 96 | 9% | 0.087 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -72 | -45.4 | 179.9 | -62.2 | 171.1 | 0 | 0 | 0 | 109.8 | V4 A7 M18 I19 E20 D21 H26 I27 W77 | V4-I23 HydrophobicContact CB-CD1 4.3Å; V4-I23 HydrophobicContact CG2-CD1 3.89Å; A7-I23 HydrophobicContact CB-CD1 3.77Å; M18-I23 HydrophobicContact CB-CD1 4.45Å; M18-I23 HydrophobicContact CB-CG1 4.27Å; M18-I23 HydrophobicContact CE-CD1 4.3Å; M18-I23 HydrophobicContact CE-CG1 4.05Å; I19-I23 PolarHBondContact O-N 3.21Å; E20-I23 PolarHBondContact O-N 3.38Å; D21-I23 PolarHBondContact O-N 3.18Å; I23-H26 PolarHBondContact O-N 3.16Å; I23-I27 HydrophobicContact CG2-CD1 3.74Å; I23-I27 VanDerWaalsContact O-CD1 3.3Å; I23-I27 WeakPolarHBondContact O-CD1 3.17Å; I23-I27 WeakPolarHBondContact O-CG1 3.26Å; I23-I27 PolarHBondContact O-N 3.39Å; I23-W77 HydrophobicContact CG2-CZ2 4.31Å |
| 24 | T | 77.7 | Confident | 72.8 | Confident | 47 Ų | 47 | 89.1 Ų | 89.1 | 29% | 0.288 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 179.8 | -55.6 | 0 | 0 | 0 | 0 | 111 | E20 D21 H26 I27 E28 | E20-T24 WeakPolarHBondContact O-CB 3.45Å; E20-T24 PolarHBondContact O-N 3.09Å; E20-T24 PolarHBondContact O-OG1 3.31Å; D21-T24 PolarHBondContact O-N 3.17Å; T24-H26 VanDerWaalsContact C-N 3.31Å; T24-H26 PolarHBondContact O-N 3.16Å; T24-I27 PolarHBondContact O-N 3.07Å; T24-I27 VanDerWaalsContact O-N 3.09Å; T24-E28 HydrophobicContact CG2-CG 4.26Å; T24-E28 WeakPolarHBondContact O-CB 3.36Å; T24-E28 WeakPolarHBondContact O-CG 3.42Å; T24-E28 PolarHBondContact O-N 3.17Å |
| 25 | E | 78.9 | Confident | 73.1 | Confident | 134 Ų | 134 | 88.2 Ų | 88.2 | 63% | 0.626 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -56.3 | -45.7 | 175.4 | -177.8 | 176.7 | -166.1 | 0 | 0 | 110.9 | D21 I27 E28 D29 | D21-E25 WeakPolarHBondContact O-CB 3.36Å; D21-E25 PolarHBondContact O-N 3.27Å; E25-I27 VanDerWaalsContact C-N 3.32Å; E25-I27 PolarHBondContact O-N 3.4Å; E25-E28 PolarHBondContact O-N 2.96Å; E25-D29 VanDerWaalsContact O-CB 3.27Å; E25-D29 WeakPolarHBondContact O-CB 3.47Å; E25-D29 PolarHBondContact O-N 3.43Å |
| 26 | H | 72.4 | Confident | 73.5 | Confident | 132 Ų | 132 | 90.6 Ų | 90.6 | 61% | 0.611 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.2 | -32.3 | 177.1 | -94.2 | -10.7 | 0 | 0 | 0 | 114.3 | D22 I23 T24 C30 | D22-H26 WeakPolarHBondContact O-CB 3.49Å; D22-H26 PolarHBondContact O-N 3.47Å; I23-H26 PolarHBondContact O-N 3.16Å; T24-H26 VanDerWaalsContact C-N 3.31Å; T24-H26 PolarHBondContact O-N 3.16Å; H26-C30 PolarHBondContact O-N 3.26Å; H26-C30 PolarHBondContact O-SG 3.15Å |
| 27 | I | 71.7 | Confident | 73.9 | Confident | 57 Ų | 57 | 95.1 Ų | 95.1 | 29% | 0.292 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.7 | -45.9 | 177.3 | -64.8 | 158.4 | 0 | 0 | 0 | 110.3 | I23 T24 E25 D29 C30 W77 | I23-I27 HydrophobicContact CG2-CD1 3.74Å; I23-I27 VanDerWaalsContact O-CD1 3.3Å; I23-I27 WeakPolarHBondContact O-CD1 3.17Å; I23-I27 WeakPolarHBondContact O-CG1 3.26Å; I23-I27 PolarHBondContact O-N 3.39Å; T24-I27 PolarHBondContact O-N 3.07Å; T24-I27 VanDerWaalsContact O-N 3.09Å; E25-I27 VanDerWaalsContact C-N 3.32Å; E25-I27 PolarHBondContact O-N 3.4Å; I27-D29 VanDerWaalsContact C-N 3.34Å; I27-C30 CarbonylContact O-C 3.38Å; I27-C30 WeakPolarHBondContact O-CA 3.47Å; I27-C30 WeakPolarHBondContact O-CB 3.24Å; I27-C30 PolarHBondContact O-N 3.46Å; I27-C30 VanDerWaalsContact O-N 3.09Å; I27-W77 HydrophobicContact CD1-CD2 4.1Å; I27-W77 HydrophobicContact CD1-CH2 3.88Å; I27-W77 HydrophobicContact CD1-CZ2 3.13Å; I27-W77 HydrophobicContact CG1-CD2 4.49Å; I27-W77 HydrophobicContact CG1-CZ2 4.1Å; I27-W77 VanDerWaalsContact CG1-NE1 3.32Å |
| 28 | E | 72.1 | Confident | 73.7 | Confident | 145 Ų | 145 | 92.1 Ų | 92.1 | 68% | 0.678 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.9 | -36.9 | -179.7 | -71.1 | -174.6 | 170.5 | 0 | 0 | 111.8 | T24 E25 C30 G31 | T24-E28 HydrophobicContact CG2-CG 4.26Å; T24-E28 WeakPolarHBondContact O-CB 3.36Å; T24-E28 WeakPolarHBondContact O-CG 3.42Å; T24-E28 PolarHBondContact O-N 3.17Å; E25-E28 PolarHBondContact O-N 2.96Å; E28-C30 PolarHBondContact O-N 3.33Å; E28-G31 PolarHBondContact O-N 2.91Å |
| 29 | D | 71.8 | Confident | 73.5 | Confident | 133 Ų | 133 | 92.2 Ų | 92.2 | 71% | 0.711 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.4 | -23.7 | 174 | -160.7 | 42.1 | 0 | 0 | 0 | 111.8 | E25 I27 G31 | E25-D29 VanDerWaalsContact O-CB 3.27Å; E25-D29 WeakPolarHBondContact O-CB 3.47Å; E25-D29 PolarHBondContact O-N 3.43Å; I27-D29 VanDerWaalsContact C-N 3.34Å; D29-G31 PolarHBondContact O-N 2.94Å |
| 30 | C | 66.3 | Low | 73.3 | Confident | 32 Ų | 32 | 93 Ų | 93 | 22% | 0.216 | 49% | 0.489 | C | S | . | . | S | Bend | trans | -89.6 | 51.3 | 170.6 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | H26 I27 E28 E32 Q70 | H26-C30 PolarHBondContact O-N 3.26Å; H26-C30 PolarHBondContact O-SG 3.15Å; I27-C30 CarbonylContact O-C 3.38Å; I27-C30 WeakPolarHBondContact O-CA 3.47Å; I27-C30 WeakPolarHBondContact O-CB 3.24Å; I27-C30 PolarHBondContact O-N 3.46Å; I27-C30 VanDerWaalsContact O-N 3.09Å; E28-C30 PolarHBondContact O-N 3.33Å; C30-E32 PolarHBondContact O-N 3.37Å; C30-Q70 HydrophobicContact CB-CG 4.15Å; C30-Q70 WeakPolarHBondContact SG-CG 3.5Å; C30-Q70 PolarHBondContact SG-NE2 3.22Å |
| 31 | G | 61.7 | Low | 73.1 | Confident | 62 Ų | 62 | 92.2 Ų | 92.2 | 64% | 0.639 | 49% | 0.485 | S | S | * | . | trans | -64.9 | 2.4 | -164.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | E28 D29 | E28-G31 PolarHBondContact O-N 2.91Å; D29-G31 PolarHBondContact O-N 2.94Å | ||
| 32 | E | 70.5 | Confident | 72.6 | Confident | 172 Ų | 172 | 88.2 Ų | 88.2 | 80% | 0.804 | 46% | 0.463 | S | S | * | . | trans | -118.1 | 119.2 | -177.2 | -54 | -161.1 | -139.2 | 0 | 0 | 111.9 | C30 | C30-E32 PolarHBondContact O-N 3.37Š| ||
| 33 | P | 64.7 | Low | 72.1 | Confident | 98 Ų | 98 | 90.3 Ų | 90.3 | 64% | 0.636 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -66 | 148.2 | 172.3 | 26.6 | -31.1 | 0 | 0 | 0 | 110.5 | ||
| 34 | F | 65.8 | Low | 71.9 | Confident | 29 Ų | 29 | 95.3 Ų | 95.3 | 13% | 0.127 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -50.1 | 138.4 | 175.3 | -82.8 | -71.7 | 0 | 0 | 0 | 114.1 | E38 K71 S74 I75 Q78 | F34-E38 HydrophobicContact CD1-CB 3.61Å; F34-E38 HydrophobicContact CD1-CG 4.43Å; F34-E38 HydrophobicContact CE1-CB 4.16Å; F34-K71 HydrophobicContact CE1-CB 4.1Å; F34-K71 HydrophobicContact CE1-CD 3.94Å; F34-K71 HydrophobicContact CE1-CG 3.85Å; F34-K71 WeakPolarHBondContact CE2-O 3.02Å; F34-K71 VanDerWaalsContact CZ-CA 3.45Å; F34-K71 HydrophobicContact CZ-CB 3.6Å; F34-K71 HydrophobicContact CZ-CD 4.32Å; F34-K71 HydrophobicContact CZ-CG 3.8Å; F34-K71 WeakPolarHBondContact CZ-O 3.48Å; F34-S74 WeakPolarHBondContact CD2-OG 3.3Å; F34-S74 VanDerWaalsContact CE2-OG 3.26Å; F34-S74 WeakPolarHBondContact CE2-OG 3.19Å; F34-I75 HydrophobicContact CD2-CG1 3.92Å; F34-I75 HydrophobicContact CE2-CB 4.3Å; F34-I75 HydrophobicContact CE2-CD1 4.03Å; F34-I75 HydrophobicContact CE2-CG1 3.48Å; F34-I75 VanDerWaalsContact CE2-CG1 3.48Å; F34-I75 VanDerWaalsContact CE2-N 3.32Å; F34-I75 HydrophobicContact CZ-CD1 3.91Å; F34-I75 HydrophobicContact CZ-CG1 3.87Å; F34-Q78 VanDerWaalsContact N-NE2 3.19Å |
| 35 | T | 77.2 | Confident | 71.3 | Confident | 75 Ų | 75 | 95.4 Ų | 95.4 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 152.8 | 165.6 | 64.1 | 0 | 0 | 0 | 0 | 110.6 | E37 E38 L39 | T35-E37 PolarHBondContact O-N 2.8Å; T35-E37 VanDerWaalsContact O-N 3.15Å; T35-E38 PolarHBondContact N-OE2 3.22Å; T35-E38 VanDerWaalsContact N-OE2 3.11Å; T35-E38 WeakPolarHBondContact O-CB 3.48Å; T35-E38 PolarHBondContact O-N 3.11Å; T35-E38 VanDerWaalsContact OG1-CG 3.31Å; T35-E38 WeakPolarHBondContact OG1-CG 3.16Å; T35-E38 PolarHBondContact OG1-OE2 3.29Å; T35-L39 PolarHBondContact O-N 2.92Å; T35-L39 VanDerWaalsContact O-N 3.12Å |
| 36 | N | 75.8 | Confident | 70.6 | Confident | 142 Ų | 142 | 96.1 Ų | 96.1 | 76% | 0.759 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -54.3 | -37.3 | -179.1 | -34.8 | -2.4 | 0 | 0 | 0 | 111.7 | L39 E40 | N36-L39 PolarHBondContact O-N 3.07Å; N36-E40 PolarHBondContact O-N 2.95Å |
| 37 | E | 77.5 | Confident | 70.2 | Confident | 144 Ų | 144 | 97.7 Ų | 97.7 | 67% | 0.673 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.1 | -36.8 | 179.3 | -175.4 | 173.7 | -172.7 | 0 | 0 | 112.3 | T35 Q41 | T35-E37 PolarHBondContact O-N 2.8Å; T35-E37 VanDerWaalsContact O-N 3.15Å; E37-Q41 WeakPolarHBondContact O-CG 3.31Å; E37-Q41 PolarHBondContact O-N 2.62Å |
| 38 | E | 73.2 | Confident | 69.2 | Low | 57 Ų | 57 | 98.2 Ų | 98.2 | 27% | 0.266 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72.6 | -34.8 | 176.1 | -68.6 | 175.3 | 116.1 | 0 | 0 | 112 | F34 T35 Q41 L42 K71 | F34-E38 HydrophobicContact CD1-CB 3.61Å; F34-E38 HydrophobicContact CD1-CG 4.43Å; F34-E38 HydrophobicContact CE1-CB 4.16Å; T35-E38 PolarHBondContact N-OE2 3.22Å; T35-E38 VanDerWaalsContact N-OE2 3.11Å; T35-E38 WeakPolarHBondContact O-CB 3.48Å; T35-E38 PolarHBondContact O-N 3.11Å; T35-E38 VanDerWaalsContact OG1-CG 3.31Å; T35-E38 WeakPolarHBondContact OG1-CG 3.16Å; T35-E38 PolarHBondContact OG1-OE2 3.29Å; E38-Q41 PolarHBondContact O-N 3.11Å; E38-L42 PolarHBondContact O-N 3.36Å; E38-L42 VanDerWaalsContact O-N 3.12Å; E38-K71 WeakPolarHBondContact OE1-CE 3.42Å; E38-K71 IonicContact OE1-NZ 2.8Å; E38-K71 PolarHBondContact OE1-NZ 2.9Å |
| 39 | L | 73.5 | Confident | 68.1 | Low | 56 Ų | 56 | 96.6 Ų | 96.6 | 29% | 0.293 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 175.1 | -173.9 | 66.1 | 0 | 0 | 0 | 111.8 | T35 N36 Q41 L42 M43 | T35-L39 PolarHBondContact O-N 2.92Å; T35-L39 VanDerWaalsContact O-N 3.12Å; N36-L39 PolarHBondContact O-N 3.07Å; L39-Q41 VanDerWaalsContact C-N 3.31Å; L39-Q41 PolarHBondContact O-N 3.05Å; L39-L42 HydrophobicContact CD1-CD2 4.26Å; L39-L42 VanDerWaalsContact O-CB 3.27Å; L39-L42 WeakPolarHBondContact O-CB 3.25Å; L39-L42 PolarHBondContact O-N 3.04Å; L39-M43 PolarHBondContact O-N 3.1Å |
| 40 | E | 73.4 | Confident | 67.3 | Low | 112 Ų | 112 | 97.8 Ų | 97.8 | 52% | 0.523 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 173.9 | -81.8 | -66.9 | 151 | 0 | 0 | 111.6 | N36 L42 M43 Q44 | N36-E40 PolarHBondContact O-N 2.95Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 3.07Å; E40-M43 PolarHBondContact O-N 3.35Å; E40-Q44 WeakPolarHBondContact O-CG 3.39Å; E40-Q44 PolarHBondContact O-N 3.41Å; E40-Q44 VanDerWaalsContact O-N 3.14Å |
| 41 | Q | 74.2 | Confident | 66.5 | Low | 104 Ų | 104 | 104 Ų | 104 | 49% | 0.486 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.3 | -34.7 | 176.2 | -73.7 | 179.7 | 51.8 | 0 | 0 | 113 | E37 E38 L39 S45 | E37-Q41 WeakPolarHBondContact O-CG 3.31Å; E37-Q41 PolarHBondContact O-N 2.62Å; E38-Q41 PolarHBondContact O-N 3.11Å; L39-Q41 VanDerWaalsContact C-N 3.31Å; L39-Q41 PolarHBondContact O-N 3.05Å; Q41-S45 PolarHBondContact O-N 3.35Å |
| 42 | L | 68.3 | Low | 65.8 | Low | 35 Ų | 35 | 109.2 Ų | 109.2 | 18% | 0.183 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -56 | -55.3 | 170.5 | 176.9 | 63.6 | 0 | 0 | 0 | 111.5 | E38 L39 E40 Q44 S45 L46 W67 I75 | E38-L42 PolarHBondContact O-N 3.36Å; E38-L42 VanDerWaalsContact O-N 3.12Å; L39-L42 HydrophobicContact CD1-CD2 4.26Å; L39-L42 VanDerWaalsContact O-CB 3.27Å; L39-L42 WeakPolarHBondContact O-CB 3.25Å; L39-L42 PolarHBondContact O-N 3.04Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 3.07Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.01Å; L42-S45 PolarHBondContact O-N 2.94Å; L42-S45 PolarHBondContact O-OG 2.91Å; L42-L46 PolarHBondContact O-N 2.96Å; L42-W67 VanDerWaalsContact CA-CH2 3.48Å; L42-W67 HydrophobicContact CB-CH2 3.5Å; L42-W67 HydrophobicContact CB-CZ2 4.14Å; L42-W67 HydrophobicContact CD1-CH2 2.99Å; L42-W67 HydrophobicContact CD1-CZ2 3.81Å; L42-W67 HydrophobicContact CD1-CZ3 3.41Å; L42-W67 VanDerWaalsContact CD1-CZ3 3.41Å; L42-W67 HydrophobicContact CG-CH2 3.73Å; L42-W67 HydrophobicContact CG-CZ3 4.42Å; L42-I75 HydrophobicContact CB-CD1 4.49Å; L42-I75 HydrophobicContact CD1-CD1 3.88Å; L42-I75 HydrophobicContact CD2-CB 4.38Å; L42-I75 HydrophobicContact CD2-CD1 3.46Å; L42-I75 VanDerWaalsContact CD2-CD1 3.46Å; L42-I75 HydrophobicContact CD2-CG1 3.73Å; L42-I75 HydrophobicContact CD2-CG2 3.72Å; L42-I75 HydrophobicContact CG-CD1 4.11Å |
| 43 | M | 71.7 | Confident | 64.8 | Low | 114 Ų | 114 | 107.3 Ų | 107.3 | 56% | 0.562 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.9 | -37.5 | -172.8 | -67.7 | -173.9 | 67.9 | 0 | 0 | 111.5 | L39 E40 K47 | L39-M43 PolarHBondContact O-N 3.1Å; E40-M43 PolarHBondContact O-N 3.35Å; M43-K47 PolarHBondContact O-N 3.2Å |
| 44 | Q | 72.1 | Confident | 64 | Low | 122 Ų | 122 | 110 Ų | 110 | 57% | 0.57 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.7 | -36.8 | 175.9 | -62.7 | -59.9 | -32.8 | 0 | 0 | 112.6 | E40 L42 L46 K47 | E40-Q44 WeakPolarHBondContact O-CG 3.39Å; E40-Q44 PolarHBondContact O-N 3.41Å; E40-Q44 VanDerWaalsContact O-N 3.14Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.01Å; Q44-L46 VanDerWaalsContact C-N 3.35Å; Q44-L46 PolarHBondContact O-N 2.95Å; Q44-K47 PolarHBondContact O-N 3.43Å |
| 45 | S | 64.8 | Low | 63.3 | Low | 49 Ų | 49 | 114.7 Ų | 114.7 | 34% | 0.343 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.6 | -34.9 | 179.8 | 75.6 | 0 | 0 | 0 | 0 | 112.9 | Q41 L42 K47 G48 W67 | Q41-S45 PolarHBondContact O-N 3.35Å; L42-S45 PolarHBondContact O-N 2.94Å; L42-S45 PolarHBondContact O-OG 2.91Å; S45-K47 VanDerWaalsContact C-N 3.35Å; S45-G48 PolarHBondContact O-N 3.26Å; S45-W67 WeakPolarHBondContact OG-CZ2 3.47Å |
| 46 | L | 63.2 | Low | 61.9 | Low | 149 Ų | 149 | 119.7 Ų | 119.7 | 78% | 0.78 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -73.4 | -29.3 | 178.3 | -167.2 | 69.8 | 0 | 0 | 0 | 112.1 | L42 Q44 G48 | L42-L46 PolarHBondContact O-N 2.96Å; Q44-L46 VanDerWaalsContact C-N 3.35Å; Q44-L46 PolarHBondContact O-N 2.95Å; L46-G48 PolarHBondContact O-N 3.12Å |
| 47 | K | 64.5 | Low | 60.7 | Low | 165 Ų | 165 | 121.1 Ų | 121.1 | 72% | 0.717 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -11.4 | 178.8 | -162 | 163.7 | -176.6 | 169 | 0 | 113.4 | M43 Q44 S45 S49 | M43-K47 PolarHBondContact O-N 3.2Å; Q44-K47 PolarHBondContact O-N 3.43Å; S45-K47 VanDerWaalsContact C-N 3.35Å; K47-S49 VanDerWaalsContact C-N 3.34Å; K47-S49 PolarHBondContact O-N 3.04Å |
| 48 | G | 50.7 | Low | 59.2 | Low | 67 Ų | 67 | 120.9 Ų | 120.9 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 26.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | S45 L46 | S45-G48 PolarHBondContact O-N 3.26Å; L46-G48 PolarHBondContact O-N 3.12Å |
| 49 | S | 48.5 | Very low | 58.1 | Low | 112 Ų | 112 | 128 Ų | 128 | 78% | 0.783 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.5 | 32.8 | -176 | -172.5 | 0 | 0 | 0 | 0 | 115.6 | K47 | K47-S49 VanDerWaalsContact C-N 3.34Å; K47-S49 PolarHBondContact O-N 3.04Å |
| 50 | D | 54.9 | Low | 56.7 | Low | 157 Ų | 157 | 132.8 Ų | 132.8 | 84% | 0.84 | 69% | 0.693 | S | S | * | * | trans | -116.3 | 12.2 | 169.3 | -157.4 | 34.3 | 0 | 0 | 0 | 113.4 | D52 | D50-D52 PolarHBondContact O-N 2.79Š| ||
| 51 | D | 50.5 | Low | 55.6 | Low | 164 Ų | 164 | 131.1 Ų | 131.1 | 88% | 0.877 | 70% | 0.698 | S | S | * | * | trans | -100.7 | 71.5 | 172.6 | -110.7 | -13.9 | 0 | 0 | 0 | 109.5 | D53 | D51-D53 VanDerWaalsContact C-N 3.27Å; D51-D53 PolarHBondContact O-N 3.47Å | ||
| 52 | D | 46.6 | Very low | 54.2 | Low | 171 Ų | 171 | 135.9 Ų | 135.9 | 91% | 0.914 | 71% | 0.712 | S | S | * | * | trans | -74.1 | 81.6 | 155.3 | -102.9 | -32.9 | 0 | 0 | 0 | 107.6 | D50 | D50-D52 PolarHBondContact O-N 2.79Š| ||
| 53 | D | 50.3 | Low | 53.4 | Low | 131 Ų | 131 | 139.2 Ų | 139.2 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -157.7 | 95.9 | 158.2 | -136.4 | -6.7 | 0 | 0 | 0 | 112.2 | D51 V55 | D51-D53 VanDerWaalsContact C-N 3.27Å; D51-D53 PolarHBondContact O-N 3.47Å; D53-V55 PolarHBondContact O-N 3.37Å |
| 54 | D | 47.5 | Very low | 52.5 | Low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 72% | 0.721 | S | S | * | * | trans | 31.9 | 61.8 | 145.2 | -75 | -24.7 | 0 | 0 | 0 | 119.2 | ||||
| 55 | V | 50.7 | Low | 51.9 | Low | 127 Ų | 127 | 136.2 Ų | 136.2 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | -142.4 | 100.3 | 149.5 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | D53 E57 | D53-V55 PolarHBondContact O-N 3.37Å; V55-E57 PolarHBondContact O-N 2.88Å | ||
| 56 | I | 48.4 | Very low | 52 | Low | 180 Ų | 180 | 135.7 Ų | 135.7 | 92% | 0.923 | 74% | 0.738 | S | S | * | * | trans | -64.6 | 80.1 | 162.7 | 49 | 154.5 | 0 | 0 | 0 | 110.6 | ||||
| 57 | E | 49.9 | Very low | 52.2 | Low | 172 Ų | 172 | 132.1 Ų | 132.1 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | -109.4 | 123.7 | 153.2 | -163.5 | 175.8 | -173.1 | 0 | 0 | 108.9 | V55 R59 | V55-E57 PolarHBondContact O-N 2.88Å; E57-R59 PolarHBondContact O-N 3.06Å | ||
| 58 | N | 46.3 | Very low | 52.8 | Low | 139 Ų | 139 | 127.6 Ų | 127.6 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | trans | -64.7 | 56.6 | -172.4 | -160.5 | 38.8 | 0 | 0 | 0 | 112.7 | E60 | N58-E60 PolarHBondContact O-N 2.72Š| ||
| 59 | R | 49.4 | Very low | 53.9 | Low | 208 Ų | 208 | 131.7 Ų | 131.7 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | trans | -77 | 72.5 | 163.7 | -167.8 | 179 | -162.6 | 173.7 | 5.4 | 105.9 | E57 A61 | E57-R59 PolarHBondContact O-N 3.06Å; R59-A61 WeakPolarHBondContact O-CA 3.07Å; R59-A61 PolarHBondContact O-N 3.01Å | ||
| 60 | E | 45.8 | Very low | 55.2 | Low | 155 Ų | 155 | 131.3 Ų | 131.3 | 72% | 0.724 | 69% | 0.692 | S | S | * | * | trans | -27.4 | 108.6 | 166.9 | -73.4 | 179.6 | 174.2 | 0 | 0 | 107.4 | N58 R62 | N58-E60 PolarHBondContact O-N 2.72Å; E60-R62 PolarHBondContact O-N 3.15Å | ||
| 61 | A | 49.3 | Very low | 56.2 | Low | 77 Ų | 77 | 126.7 Ų | 126.7 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | trans | -40.3 | 108.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | R59 T63 | R59-A61 WeakPolarHBondContact O-CA 3.07Å; R59-A61 PolarHBondContact O-N 3.01Å; A61-T63 HydrophobicContact CB-CG2 4.41Å; A61-T63 PolarHBondContact O-N 3.12Å; A61-T63 PolarHBondContact O-OG1 3Å | ||
| 62 | R | 45.8 | Very low | 57.5 | Low | 204 Ų | 204 | 123.3 Ų | 123.3 | 77% | 0.77 | 65% | 0.646 | S | S | * | * | trans | -68 | 63.3 | 166.5 | -171.6 | -174.2 | -177 | -166.3 | 1 | 105 | E60 P64 | E60-R62 PolarHBondContact O-N 3.15Å; R62-P64 VanDerWaalsContact C-N 3.32Å; R62-P64 WeakPolarHBondContact O-CD 3.43Å | ||
| 63 | T | 50.2 | Low | 59.1 | Low | 106 Ų | 106 | 117.3 Ų | 117.3 | 65% | 0.65 | 62% | 0.62 | S | S | * | * | trans | -43.7 | 109.5 | 149.9 | 39.8 | 0 | 0 | 0 | 0 | 102.2 | A61 S65 | A61-T63 HydrophobicContact CB-CG2 4.41Å; A61-T63 PolarHBondContact O-N 3.12Å; A61-T63 PolarHBondContact O-OG1 3Å; T63-S65 PolarHBondContact O-N 3.38Å | ||
| 64 | P | 52.7 | Low | 60.4 | Low | 46 Ų | 46 | 112 Ų | 112 | 30% | 0.299 | 59% | 0.593 | S | S | . | * | trans | -62.8 | 103.9 | 179.1 | -19 | 32.2 | 0 | 0 | 0 | 103.9 | R62 G66 W67 | R62-P64 VanDerWaalsContact C-N 3.32Å; R62-P64 WeakPolarHBondContact O-CD 3.43Å; P64-G66 PolarHBondContact O-N 3.35Å; P64-W67 VanDerWaalsContact CB-NE1 3.32Å; P64-W67 PolarHBondContact O-N 3.21Å | ||
| 65 | S | 60.2 | Low | 62 | Low | 127 Ų | 127 | 106.2 Ų | 106.2 | 89% | 0.888 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -0.9 | -170.2 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | T63 | T63-S65 PolarHBondContact O-N 3.38Š|
| 66 | G | 65.8 | Low | 63.4 | Low | 37 Ų | 37 | 104.4 Ų | 104.4 | 38% | 0.381 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -2.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116 | P64 T68 K71 | P64-G66 PolarHBondContact O-N 3.35Å; G66-T68 PolarHBondContact O-N 3.06Å; G66-K71 VanDerWaalsContact O-CD 3.24Å; G66-K71 WeakPolarHBondContact O-CD 3.49Å; G66-K71 WeakPolarHBondContact O-CE 3.43Å |
| 67 | W | 67.6 | Low | 64.9 | Low | 75 Ų | 75 | 100.6 Ų | 100.6 | 28% | 0.284 | 52% | 0.518 | S | S | . | . | trans | -71.1 | 87.8 | 175.7 | -71.3 | 105.3 | 0 | 0 | 0 | 111.7 | L42 S45 P64 L72 I75 | L42-W67 VanDerWaalsContact CA-CH2 3.48Å; L42-W67 HydrophobicContact CB-CH2 3.5Å; L42-W67 HydrophobicContact CB-CZ2 4.14Å; L42-W67 HydrophobicContact CD1-CH2 2.99Å; L42-W67 HydrophobicContact CD1-CZ2 3.81Å; L42-W67 HydrophobicContact CD1-CZ3 3.41Å; L42-W67 VanDerWaalsContact CD1-CZ3 3.41Å; L42-W67 HydrophobicContact CG-CH2 3.73Å; L42-W67 HydrophobicContact CG-CZ3 4.42Å; S45-W67 WeakPolarHBondContact OG-CZ2 3.47Å; P64-W67 VanDerWaalsContact CB-NE1 3.32Å; P64-W67 PolarHBondContact O-N 3.21Å; W67-L72 HydrophobicContact CE3-CD2 3.58Å; W67-L72 HydrophobicContact CE3-CG 4.17Å; W67-L72 HydrophobicContact CZ3-CD2 3.81Å; W67-I75 HydrophobicContact CH2-CD1 4.17Å; W67-I75 HydrophobicContact CZ3-CD1 3.67Å | ||
| 68 | T | 78 | Confident | 66.5 | Low | 69 Ų | 69 | 95.2 Ų | 95.2 | 42% | 0.423 | 49% | 0.492 | S | S | . | . | trans | -87.6 | 155 | 168.5 | 63.2 | 0 | 0 | 0 | 0 | 110.3 | G66 Q70 K71 L72 | G66-T68 PolarHBondContact O-N 3.06Å; T68-Q70 PolarHBondContact O-N 3.35Å; T68-K71 WeakPolarHBondContact O-CA 3.3Å; T68-K71 WeakPolarHBondContact O-CB 3.08Å; T68-K71 PolarHBondContact O-N 3.48Å; T68-K71 PolarHBondContact OG1-N 3.23Å; T68-L72 PolarHBondContact O-N 2.65Å | ||
| 69 | L | 74.2 | Confident | 68.1 | Low | 153 Ų | 153 | 90.8 Ų | 90.8 | 80% | 0.801 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -51.2 | -39.2 | 172.3 | -99.6 | 145.7 | 0 | 0 | 0 | 112.1 | K71 L72 A73 | L69-K71 VanDerWaalsContact C-N 3.31Å; L69-K71 PolarHBondContact O-N 3.16Å; L69-L72 PolarHBondContact O-N 3.07Å; L69-A73 PolarHBondContact O-N 3.47Å |
| 70 | Q | 74.8 | Confident | 69.4 | Low | 105 Ų | 105 | 84.3 Ų | 84.3 | 49% | 0.491 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -56.2 | -42.1 | 173.4 | 169.9 | 165.8 | 28.8 | 0 | 0 | 112.6 | C30 T68 A73 S74 | C30-Q70 HydrophobicContact CB-CG 4.15Å; C30-Q70 WeakPolarHBondContact SG-CG 3.5Å; C30-Q70 PolarHBondContact SG-NE2 3.22Å; T68-Q70 PolarHBondContact O-N 3.35Å; Q70-A73 PolarHBondContact O-N 3.21Å; Q70-S74 PolarHBondContact O-N 2.75Å; Q70-S74 VanDerWaalsContact O-N 3.16Å |
| 71 | K | 76.2 | Confident | 70.9 | Confident | 60 Ų | 60 | 79.5 Ų | 79.5 | 26% | 0.261 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 174.5 | -77.8 | -160.9 | -175.6 | -158.9 | 0 | 111.6 | F34 E38 G66 T68 L69 A73 S74 I75 | F34-K71 HydrophobicContact CE1-CB 4.1Å; F34-K71 HydrophobicContact CE1-CD 3.94Å; F34-K71 HydrophobicContact CE1-CG 3.85Å; F34-K71 WeakPolarHBondContact CE2-O 3.02Å; F34-K71 VanDerWaalsContact CZ-CA 3.45Å; F34-K71 HydrophobicContact CZ-CB 3.6Å; F34-K71 HydrophobicContact CZ-CD 4.32Å; F34-K71 HydrophobicContact CZ-CG 3.8Å; F34-K71 WeakPolarHBondContact CZ-O 3.48Å; E38-K71 WeakPolarHBondContact OE1-CE 3.42Å; E38-K71 IonicContact OE1-NZ 2.8Å; E38-K71 PolarHBondContact OE1-NZ 2.9Å; G66-K71 VanDerWaalsContact O-CD 3.24Å; G66-K71 WeakPolarHBondContact O-CD 3.49Å; G66-K71 WeakPolarHBondContact O-CE 3.43Å; T68-K71 WeakPolarHBondContact O-CA 3.3Å; T68-K71 WeakPolarHBondContact O-CB 3.08Å; T68-K71 PolarHBondContact O-N 3.48Å; T68-K71 PolarHBondContact OG1-N 3.23Å; L69-K71 VanDerWaalsContact C-N 3.31Å; L69-K71 PolarHBondContact O-N 3.16Å; K71-A73 VanDerWaalsContact C-N 3.29Å; K71-A73 PolarHBondContact O-N 3.25Å; K71-S74 PolarHBondContact O-N 3.36Å; K71-I75 PolarHBondContact O-N 3.18Å |
| 72 | L | 78.1 | Confident | 72.1 | Confident | 93 Ų | 93 | 79.3 Ų | 79.3 | 49% | 0.487 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 180 | -66.6 | 172.3 | 0 | 0 | 0 | 112.2 | W67 T68 L69 I75 F76 | W67-L72 HydrophobicContact CE3-CD2 3.58Å; W67-L72 HydrophobicContact CE3-CG 4.17Å; W67-L72 HydrophobicContact CZ3-CD2 3.81Å; T68-L72 PolarHBondContact O-N 2.65Å; L69-L72 PolarHBondContact O-N 3.07Å; L72-I75 PolarHBondContact O-N 2.8Å; L72-F76 PolarHBondContact O-N 3.01Å |
| 73 | A | 79.7 | Confident | 73.7 | Confident | 45 Ų | 45 | 77 Ų | 77 | 37% | 0.372 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L69 Q70 K71 I75 F76 W77 | L69-A73 PolarHBondContact O-N 3.47Å; Q70-A73 PolarHBondContact O-N 3.21Å; K71-A73 VanDerWaalsContact C-N 3.29Å; K71-A73 PolarHBondContact O-N 3.25Å; A73-I75 VanDerWaalsContact C-N 3.33Å; A73-I75 PolarHBondContact O-N 3.31Å; A73-F76 WeakPolarHBondContact O-CB 3.42Å; A73-F76 PolarHBondContact O-N 3.2Å; A73-F76 VanDerWaalsContact O-N 3.15Å; A73-W77 PolarHBondContact O-N 3.06Å |
| 74 | S | 78.8 | Confident | 75.1 | Confident | 18 Ų | 18 | 77.4 Ų | 77.4 | 13% | 0.126 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.1 | -31.3 | -177.8 | 172.4 | 0 | 0 | 0 | 0 | 112.8 | F34 Q70 K71 F76 W77 Q78 | F34-S74 WeakPolarHBondContact CD2-OG 3.3Å; F34-S74 VanDerWaalsContact CE2-OG 3.26Å; F34-S74 WeakPolarHBondContact CE2-OG 3.19Å; Q70-S74 PolarHBondContact O-N 2.75Å; Q70-S74 VanDerWaalsContact O-N 3.16Å; K71-S74 PolarHBondContact O-N 3.36Å; S74-F76 VanDerWaalsContact C-N 3.34Å; S74-W77 PolarHBondContact O-N 3.2Å; S74-Q78 WeakPolarHBondContact O-CG 3.39Å; S74-Q78 PolarHBondContact O-N 3.12Å; S74-Q78 VanDerWaalsContact O-N 3.16Å; S74-Q78 PolarHBondContact OG-NE2 2.95Å |
| 75 | I | 80.2 | Confident | 76.1 | Confident | 34 Ų | 34 | 80.8 Ų | 80.8 | 17% | 0.174 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65.8 | -44.3 | 173 | -75.1 | 147.7 | 0 | 0 | 0 | 109.6 | F34 L42 W67 K71 L72 A73 W77 Q78 A79 | F34-I75 HydrophobicContact CD2-CG1 3.92Å; F34-I75 HydrophobicContact CE2-CB 4.3Å; F34-I75 HydrophobicContact CE2-CD1 4.03Å; F34-I75 HydrophobicContact CE2-CG1 3.48Å; F34-I75 VanDerWaalsContact CE2-CG1 3.48Å; F34-I75 VanDerWaalsContact CE2-N 3.32Å; F34-I75 HydrophobicContact CZ-CD1 3.91Å; F34-I75 HydrophobicContact CZ-CG1 3.87Å; L42-I75 HydrophobicContact CB-CD1 4.49Å; L42-I75 HydrophobicContact CD1-CD1 3.88Å; L42-I75 HydrophobicContact CD2-CB 4.38Å; L42-I75 HydrophobicContact CD2-CD1 3.46Å; L42-I75 VanDerWaalsContact CD2-CD1 3.46Å; L42-I75 HydrophobicContact CD2-CG1 3.73Å; L42-I75 HydrophobicContact CD2-CG2 3.72Å; L42-I75 HydrophobicContact CG-CD1 4.11Å; W67-I75 HydrophobicContact CH2-CD1 4.17Å; W67-I75 HydrophobicContact CZ3-CD1 3.67Å; K71-I75 PolarHBondContact O-N 3.18Å; L72-I75 PolarHBondContact O-N 2.8Å; A73-I75 VanDerWaalsContact C-N 3.33Å; A73-I75 PolarHBondContact O-N 3.31Å; I75-W77 PolarHBondContact O-N 3.34Å; I75-Q78 PolarHBondContact O-N 3.43Å; I75-Q78 VanDerWaalsContact O-N 3.12Å; I75-A79 PolarHBondContact O-N 3.2Å |
| 76 | F | 80.2 | Confident | 76.8 | Confident | 90 Ų | 90 | 80.1 Ų | 80.1 | 40% | 0.395 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61 | -39 | -178.7 | -155.4 | -82.8 | 0 | 0 | 0 | 111.5 | I6 L10 L72 A73 S74 P80 | I6-F76 HydrophobicContact CG2-CD1 3.97Å; I6-F76 HydrophobicContact CG2-CE1 3.38Å; I6-F76 HydrophobicContact CG2-CZ 4.21Å; L10-F76 HydrophobicContact CD1-CD1 3.63Å; L10-F76 HydrophobicContact CD1-CD2 3.76Å; L10-F76 HydrophobicContact CD1-CE1 3.55Å; L10-F76 HydrophobicContact CD1-CE2 3.67Å; L10-F76 HydrophobicContact CD1-CG 3.74Å; L10-F76 HydrophobicContact CD1-CZ 3.56Å; L10-F76 HydrophobicContact CD2-CD2 4.01Å; L10-F76 HydrophobicContact CD2-CE1 4.34Å; L10-F76 HydrophobicContact CD2-CE2 3.26Å; L10-F76 HydrophobicContact CD2-CZ 3.47Å; L10-F76 VanDerWaalsContact CD2-CZ 3.47Å; L10-F76 HydrophobicContact CG-CE1 4.28Å; L10-F76 HydrophobicContact CG-CE2 4.01Å; L10-F76 HydrophobicContact CG-CZ 3.87Å; L72-F76 PolarHBondContact O-N 3.01Å; A73-F76 WeakPolarHBondContact O-CB 3.42Å; A73-F76 PolarHBondContact O-N 3.2Å; A73-F76 VanDerWaalsContact O-N 3.15Å; S74-F76 VanDerWaalsContact C-N 3.34Å; F76-P80 VanDerWaalsContact O-CD 3.3Å; F76-P80 WeakPolarHBondContact O-CD 3.38Å |
| 77 | W | 80.6 | Confident | 77.3 | Confident | 100 Ų | 100 | 81.6 Ų | 81.6 | 38% | 0.379 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.9 | -33.8 | 175.3 | -81.7 | 109.3 | 0 | 0 | 0 | 114.2 | T3 I23 I27 A73 S74 I75 P80 | T3-W77 HydrophobicContact CG2-CH2 3.55Å; T3-W77 HydrophobicContact CG2-CZ2 4.38Å; T3-W77 HydrophobicContact CG2-CZ3 4.4Å; I23-W77 HydrophobicContact CG2-CZ2 4.31Å; I27-W77 HydrophobicContact CD1-CD2 4.1Å; I27-W77 HydrophobicContact CD1-CH2 3.88Å; I27-W77 HydrophobicContact CD1-CZ2 3.13Å; I27-W77 HydrophobicContact CG1-CD2 4.49Å; I27-W77 HydrophobicContact CG1-CZ2 4.1Å; I27-W77 VanDerWaalsContact CG1-NE1 3.32Å; A73-W77 PolarHBondContact O-N 3.06Å; S74-W77 PolarHBondContact O-N 3.2Å; I75-W77 PolarHBondContact O-N 3.34Å; W77-P80 WeakPolarHBondContact O-CD 3.41Å |
| 78 | Q | 82.1 | Confident | 77.6 | Confident | 58 Ų | 58 | 84.8 Ų | 84.8 | 27% | 0.271 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -84.2 | -21.5 | -179.6 | -68.5 | 179.7 | 50.5 | 0 | 0 | 113.2 | F34 S74 I75 A81 L82 | F34-Q78 VanDerWaalsContact N-NE2 3.19Å; S74-Q78 WeakPolarHBondContact O-CG 3.39Å; S74-Q78 PolarHBondContact O-N 3.12Å; S74-Q78 VanDerWaalsContact O-N 3.16Å; S74-Q78 PolarHBondContact OG-NE2 2.95Å; I75-Q78 PolarHBondContact O-N 3.43Å; I75-Q78 VanDerWaalsContact O-N 3.12Å; Q78-A81 WeakPolarHBondContact O-CB 3.27Å; Q78-A81 PolarHBondContact O-N 3.39Å; Q78-L82 PolarHBondContact O-N 3.31Å |
| 79 | A | 80.4 | Confident | 77.4 | Confident | 47 Ų | 47 | 86.8 Ų | 86.8 | 39% | 0.388 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.4 | -40 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I75 L82 K83 | I75-A79 PolarHBondContact O-N 3.2Å; A79-L82 PolarHBondContact O-N 3.43Å; A79-K83 WeakPolarHBondContact O-CB 3.3Å; A79-K83 PolarHBondContact O-N 3.04Å |
| 80 | P | 76.9 | Confident | 77.4 | Confident | 72 Ų | 72 | 83.4 Ų | 83.4 | 47% | 0.468 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 172.4 | -23.6 | 34.3 | 0 | 0 | 0 | 113.2 | F76 W77 L82 K83 D84 | F76-P80 VanDerWaalsContact O-CD 3.3Å; F76-P80 WeakPolarHBondContact O-CD 3.38Å; W77-P80 WeakPolarHBondContact O-CD 3.41Å; P80-L82 VanDerWaalsContact C-N 3.32Å; P80-L82 PolarHBondContact O-N 3.14Å; P80-K83 WeakPolarHBondContact O-CB 3.4Å; P80-K83 PolarHBondContact O-N 3.08Å; P80-D84 PolarHBondContact O-N 3.32Å |
| 81 | A | 77.4 | Confident | 77.4 | Confident | 54 Ų | 54 | 82.2 Ų | 82.2 | 45% | 0.446 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q78 K83 D84 M85 | Q78-A81 WeakPolarHBondContact O-CB 3.27Å; Q78-A81 PolarHBondContact O-N 3.39Å; A81-K83 VanDerWaalsContact C-N 3.34Å; A81-D84 PolarHBondContact O-N 3.37Å; A81-M85 WeakPolarHBondContact O-CG 3.49Å; A81-M85 PolarHBondContact O-N 3.19Å |
| 82 | L | 74.7 | Confident | 77.3 | Confident | 73 Ų | 73 | 82.8 Ų | 82.8 | 38% | 0.382 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 174.5 | -145.4 | 96.3 | 0 | 0 | 0 | 111.6 | Q78 A79 P80 D84 M85 I86 | Q78-L82 PolarHBondContact O-N 3.31Å; A79-L82 PolarHBondContact O-N 3.43Å; P80-L82 VanDerWaalsContact C-N 3.32Å; P80-L82 PolarHBondContact O-N 3.14Å; L82-D84 VanDerWaalsContact C-N 3.33Å; L82-D84 PolarHBondContact O-N 3.29Å; L82-M85 HydrophobicContact CD1-CE 4.03Å; L82-M85 HydrophobicContact CG-CE 4.48Å; L82-M85 PolarHBondContact O-N 2.91Å; L82-I86 HydrophobicContact CD2-CD1 4.42Å; L82-I86 VanDerWaalsContact O-CG1 3.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.02Å; L82-I86 PolarHBondContact O-N 3.42Å |
| 83 | K | 78.2 | Confident | 77.2 | Confident | 154 Ų | 154 | 83.5 Ų | 83.5 | 67% | 0.67 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.4 | -42.4 | 176.3 | -178.4 | -170.6 | 172 | -164.7 | 0 | 111.6 | A79 P80 A81 I86 | A79-K83 WeakPolarHBondContact O-CB 3.3Å; A79-K83 PolarHBondContact O-N 3.04Å; P80-K83 WeakPolarHBondContact O-CB 3.4Å; P80-K83 PolarHBondContact O-N 3.08Å; A81-K83 VanDerWaalsContact C-N 3.34Å; K83-I86 PolarHBondContact O-N 2.86Å |
| 84 | D | 79.8 | Confident | 76.8 | Confident | 116 Ų | 116 | 87 Ų | 87 | 62% | 0.62 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68.1 | -42.5 | 177.3 | -69.6 | -14.7 | 0 | 0 | 0 | 111.1 | P80 A81 L82 I86 G87 | P80-D84 PolarHBondContact O-N 3.32Å; A81-D84 PolarHBondContact O-N 3.37Å; L82-D84 VanDerWaalsContact C-N 3.33Å; L82-D84 PolarHBondContact O-N 3.29Å; D84-I86 VanDerWaalsContact C-N 3.3Å; D84-I86 PolarHBondContact O-N 3.48Å; D84-G87 PolarHBondContact O-N 3.5Å |
| 85 | M | 75.3 | Confident | 76.3 | Confident | 116 Ų | 116 | 96.1 Ų | 96.1 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.3 | -33.1 | 176 | -74.8 | -172.5 | -68.7 | 0 | 0 | 113.6 | A81 L82 G87 D88 Y89 | A81-M85 WeakPolarHBondContact O-CG 3.49Å; A81-M85 PolarHBondContact O-N 3.19Å; L82-M85 HydrophobicContact CD1-CE 4.03Å; L82-M85 HydrophobicContact CG-CE 4.48Å; L82-M85 PolarHBondContact O-N 2.91Å; M85-G87 PolarHBondContact O-N 2.7Å; M85-D88 PolarHBondContact O-N 2.9Å; M85-Y89 PolarHBondContact O-N 3.2Å |
| 86 | I | 74.1 | Confident | 75.5 | Confident | 114 Ų | 114 | 97.8 Ų | 97.8 | 59% | 0.585 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.9 | -29.7 | 174.5 | -72.4 | 163.8 | 0 | 0 | 0 | 111.2 | L82 K83 D84 D88 Y89 | L82-I86 HydrophobicContact CD2-CD1 4.42Å; L82-I86 VanDerWaalsContact O-CG1 3.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.02Å; L82-I86 PolarHBondContact O-N 3.42Å; K83-I86 PolarHBondContact O-N 2.86Å; D84-I86 VanDerWaalsContact C-N 3.3Å; D84-I86 PolarHBondContact O-N 3.48Å; I86-D88 VanDerWaalsContact C-N 3.27Å; I86-D88 PolarHBondContact O-N 3.21Å; I86-Y89 VanDerWaalsContact O-CB 3.27Å; I86-Y89 WeakPolarHBondContact O-CB 3.45Å; I86-Y89 PolarHBondContact O-N 2.63Å |
| 87 | G | 75.3 | Confident | 74.6 | Confident | 68 Ų | 68 | 100 Ų | 100 | 70% | 0.701 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.7 | -33.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D84 M85 Y89 | D84-G87 PolarHBondContact O-N 3.5Å; M85-G87 PolarHBondContact O-N 2.7Å; G87-Y89 VanDerWaalsContact C-N 3.35Å |
| 88 | D | 75.2 | Confident | 73.5 | Confident | 141 Ų | 141 | 102.8 Ų | 102.8 | 75% | 0.754 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -2.1 | 177 | -66.4 | -31.5 | 0 | 0 | 0 | 112.9 | M85 I86 D90 | M85-D88 PolarHBondContact O-N 2.9Å; I86-D88 VanDerWaalsContact C-N 3.27Å; I86-D88 PolarHBondContact O-N 3.21Å; D88-D90 PolarHBondContact O-N 3.39Å; D88-D90 VanDerWaalsContact O-N 3.08Å |
| 89 | Y | 73.7 | Confident | 72.6 | Confident | 111 Ų | 111 | 106.2 Ų | 106.2 | 44% | 0.435 | 59% | 0.588 | S | S | . | * | trans | -71.1 | 105.9 | -177.8 | -172.7 | -102.8 | 0 | 0 | 0 | 111.4 | M85 I86 G87 P91 M93 E94 | M85-Y89 PolarHBondContact O-N 3.2Å; I86-Y89 VanDerWaalsContact O-CB 3.27Å; I86-Y89 WeakPolarHBondContact O-CB 3.45Å; I86-Y89 PolarHBondContact O-N 2.63Å; G87-Y89 VanDerWaalsContact C-N 3.35Å; Y89-P91 WeakPolarHBondContact O-CD 3.27Å; Y89-M93 HydrophobicContact CD2-CE 3.94Å; Y89-M93 HydrophobicContact CE2-CE 4.41Å; Y89-E94 WeakPolarHBondContact CE1-OE1 3.39Å; Y89-E94 WeakPolarHBondContact OH-CG 3.49Å; Y89-E94 PolarHBondContact OH-OE1 3.27Å | ||
| 90 | D | 74.9 | Confident | 71.7 | Confident | 82 Ų | 82 | 113.3 Ų | 113.3 | 44% | 0.439 | 63% | 0.627 | S | S | . | * | trans | -83.1 | 114.3 | 167.2 | -177.9 | -1.1 | 0 | 0 | 0 | 110.2 | D88 S92 M93 | D88-D90 PolarHBondContact O-N 3.39Å; D88-D90 VanDerWaalsContact O-N 3.08Å; D90-S92 PolarHBondContact O-N 2.89Å; D90-S92 WeakPolarHBondContact OD1-CB 3.48Å; D90-S92 PolarHBondContact OD1-N 3.27Å; D90-S92 PolarHBondContact OD1-OG 2.97Å; D90-S92 WeakPolarHBondContact OD2-CB 3.47Å; D90-S92 PolarHBondContact OD2-OG 2.54Å; D90-M93 HydrophobicContact CB-CE 4.05Å; D90-M93 HydrophobicContact CB-CG 4.4Å; D90-M93 VanDerWaalsContact N-CE 3.28Å; D90-M93 VanDerWaalsContact O-CB 3.3Å; D90-M93 WeakPolarHBondContact O-CB 3.12Å; D90-M93 WeakPolarHBondContact O-CG 3.3Å; D90-M93 PolarHBondContact O-N 3.21Å | ||
| 91 | P | 73 | Confident | 71.4 | Confident | 81 Ų | 81 | 115.4 Ų | 115.4 | 53% | 0.526 | 63% | 0.634 | S | S | . | * | G | 310 helix | trans | -56.3 | -19.5 | 176.3 | -23.3 | 33.6 | 0 | 0 | 0 | 113.7 | Y89 M93 E94 | Y89-P91 WeakPolarHBondContact O-CD 3.27Å; P91-M93 PolarHBondContact O-N 3.22Å; P91-E94 WeakPolarHBondContact O-CB 2.96Å; P91-E94 PolarHBondContact O-N 3.48Å |
| 92 | S | 75.3 | Confident | 71.1 | Confident | 71 Ų | 71 | 118.6 Ų | 118.6 | 50% | 0.497 | 64% | 0.644 | S | S | . | * | G | 310 helix | trans | -62.2 | -23.7 | 173.8 | -45.1 | 0 | 0 | 0 | 0 | 112.5 | D90 E94 R95 | D90-S92 PolarHBondContact O-N 2.89Å; D90-S92 WeakPolarHBondContact OD1-CB 3.48Å; D90-S92 PolarHBondContact OD1-N 3.27Å; D90-S92 PolarHBondContact OD1-OG 2.97Å; D90-S92 WeakPolarHBondContact OD2-CB 3.47Å; D90-S92 PolarHBondContact OD2-OG 2.54Å; S92-E94 VanDerWaalsContact C-N 3.27Å; S92-E94 PolarHBondContact O-N 3.42Å; S92-R95 PolarHBondContact O-N 3.21Å |
| 93 | M | 75.5 | Confident | 70.9 | Confident | 109 Ų | 109 | 121.1 Ų | 121.1 | 54% | 0.537 | 66% | 0.659 | S | S | . | * | G | 310 helix | trans | -63.7 | -29.7 | 175.6 | -70.6 | -170.4 | -81 | 0 | 0 | 112.7 | Y89 D90 P91 R95 G96 | Y89-M93 HydrophobicContact CD2-CE 3.94Å; Y89-M93 HydrophobicContact CE2-CE 4.41Å; D90-M93 HydrophobicContact CB-CE 4.05Å; D90-M93 HydrophobicContact CB-CG 4.4Å; D90-M93 VanDerWaalsContact N-CE 3.28Å; D90-M93 VanDerWaalsContact O-CB 3.3Å; D90-M93 WeakPolarHBondContact O-CB 3.12Å; D90-M93 WeakPolarHBondContact O-CG 3.3Å; D90-M93 PolarHBondContact O-N 3.21Å; P91-M93 PolarHBondContact O-N 3.22Å; M93-R95 VanDerWaalsContact C-N 3.29Å; M93-R95 PolarHBondContact O-N 3.29Å; M93-G96 PolarHBondContact O-N 3.1Å |
| 94 | E | 70.9 | Confident | 70.5 | Confident | 117 Ų | 117 | 119.2 Ų | 119.2 | 55% | 0.547 | 66% | 0.658 | S | S | . | * | G | 310 helix | trans | -66.4 | -33.1 | 176.1 | -62.9 | 177.7 | -175.4 | 0 | 0 | 112 | Y89 P91 S92 G96 I97 | Y89-E94 WeakPolarHBondContact CE1-OE1 3.39Å; Y89-E94 WeakPolarHBondContact OH-CG 3.49Å; Y89-E94 PolarHBondContact OH-OE1 3.27Å; P91-E94 WeakPolarHBondContact O-CB 2.96Å; P91-E94 PolarHBondContact O-N 3.48Å; S92-E94 VanDerWaalsContact C-N 3.27Å; S92-E94 PolarHBondContact O-N 3.42Å; E94-G96 PolarHBondContact O-N 3.19Å; E94-I97 PolarHBondContact O-N 2.88Å |
| 95 | R | 69.3 | Low | 69.9 | Low | 210 Ų | 210 | 119.4 Ų | 119.4 | 79% | 0.792 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -70 | -16.6 | -175 | -63.3 | -175 | 175 | -122.7 | -0.5 | 113.4 | S92 M93 | S92-R95 PolarHBondContact O-N 3.21Å; M93-R95 VanDerWaalsContact C-N 3.29Å; M93-R95 PolarHBondContact O-N 3.29Å |
| 96 | G | 62.8 | Low | 69.6 | Low | 70 Ų | 70 | 119.6 Ų | 119.6 | 72% | 0.722 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -76.5 | -20.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | M93 E94 M98 | M93-G96 PolarHBondContact O-N 3.1Å; E94-G96 PolarHBondContact O-N 3.19Å; G96-M98 VanDerWaalsContact C-N 3.3Å; G96-M98 PolarHBondContact O-N 3.23Å |
| 97 | I | 61.9 | Low | 69.2 | Low | 136 Ų | 136 | 120 Ų | 120 | 70% | 0.697 | 67% | 0.673 | S | S | * | * | trans | -96.6 | 51.5 | -178.6 | -44 | 179.7 | 0 | 0 | 0 | 109.6 | E94 V99 | E94-I97 PolarHBondContact O-N 2.88Å; I97-V99 VanDerWaalsContact C-N 3.33Å; I97-V99 HydrophobicContact CG2-CG2 4.09Å; I97-V99 PolarHBondContact O-N 3.48Å | ||
| 98 | M | 56.6 | Low | 68.8 | Low | 158 Ų | 158 | 124 Ų | 124 | 78% | 0.778 | 67% | 0.67 | S | S | * | * | trans | -82 | 89.3 | 154.9 | -95 | -173.4 | -58.5 | 0 | 0 | 107.3 | G96 T100 | G96-M98 VanDerWaalsContact C-N 3.3Å; G96-M98 PolarHBondContact O-N 3.23Å; M98-T100 PolarHBondContact O-N 3.05Å; M98-T100 VanDerWaalsContact O-N 3.1Å | ||
| 99 | V | 62.8 | Low | 68.2 | Low | 131 Ų | 131 | 122.6 Ų | 122.6 | 79% | 0.794 | 66% | 0.663 | S | S | * | * | trans | -70.1 | 101.9 | 160.5 | -178.7 | 0 | 0 | 0 | 0 | 105.7 | I97 | I97-V99 VanDerWaalsContact C-N 3.33Å; I97-V99 HydrophobicContact CG2-CG2 4.09Å; I97-V99 PolarHBondContact O-N 3.48Å | ||
| 100 | T | 62.3 | Low | 67.7 | Low | 195 Ų | 195 | 123.6 Ų | 123.6 | 100% | 1.196 | 68% | 0.684 | S | S | * | * | trans | -75.9 | 0 | 169.4 | -42.8 | 0 | 0 | 0 | 0 | 109.7 | M98 | M98-T100 PolarHBondContact O-N 3.05Å; M98-T100 VanDerWaalsContact O-N 3.1Å |
Retrieved 100 of 100 residues in 63.6 ms
(Link to these results)