| 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 | 41.4 | Very low | 41.7 | Very low | 213 Ų | 213 | 131.3 Ų | 131.3 | 100% | 1.049 | 64% | 0.635 | S | S | * | * | 0 | -48.3 | 0 | -138.9 | 170.5 | -168.9 | 0 | 0 | 111.8 | W3 R4 | M1-W3 VanDerWaalsContact C-N 3.3Å; M1-W3 PolarHBondContact O-N 3.33Å; M1-R4 PolarHBondContact O-N 2.68Å | |||
| 2 | L | 31.1 | Very low | 43.2 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -59.1 | -30.7 | 173.4 | -81.2 | 151.4 | 0 | 0 | 0 | 115.2 | R4 L5 | L2-R4 VanDerWaalsContact C-N 3.34Å; L2-R4 PolarHBondContact O-N 3.17Å; L2-L5 PolarHBondContact O-N 3.16Å |
| 3 | W | 30.3 | Very low | 44.5 | Very low | 183 Ų | 183 | 127.6 Ų | 127.6 | 69% | 0.693 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.5 | -28.3 | 179.7 | -143.6 | 49.1 | 0 | 0 | 0 | 113.9 | M1 | M1-W3 VanDerWaalsContact C-N 3.3Å; M1-W3 PolarHBondContact O-N 3.33Å |
| 4 | R | 32.1 | Very low | 45.3 | Very low | 216 Ų | 216 | 123.1 Ų | 123.1 | 82% | 0.815 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -78.5 | -23.8 | 175.4 | -80.1 | -172.5 | 179.3 | 178.2 | -0.2 | 113.1 | M1 L2 F6 S8 | M1-R4 PolarHBondContact O-N 2.68Å; L2-R4 VanDerWaalsContact C-N 3.34Å; L2-R4 PolarHBondContact O-N 3.17Å; R4-F6 VanDerWaalsContact C-N 3.34Å; R4-S8 PolarHBondContact O-OG 3.08Å |
| 5 | L | 36.8 | Very low | 46.3 | Very low | 113 Ų | 113 | 122.1 Ų | 122.1 | 59% | 0.592 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75.5 | -24.8 | 176.6 | -81.3 | 156.4 | 0 | 0 | 0 | 112.2 | L2 S8 V9 | L2-L5 PolarHBondContact O-N 3.16Å; L5-S8 PolarHBondContact O-OG 2.99Å; L5-S8 VanDerWaalsContact O-OG 3.14Å; L5-V9 WeakPolarHBondContact O-CG2 3.32Å |
| 6 | F | 43.5 | Very low | 47.4 | Very low | 126 Ų | 126 | 121.8 Ų | 121.8 | 55% | 0.553 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -89.8 | -23.4 | -178.1 | -107.1 | -91 | 0 | 0 | 0 | 114.8 | R4 S8 V9 | R4-F6 VanDerWaalsContact C-N 3.34Å; F6-S8 PolarHBondContact O-N 3.4Å; F6-V9 HydrophobicContact CD1-CG2 4.26Å; F6-V9 HydrophobicContact CG-CG2 4.39Å |
| 7 | L | 42.1 | Very low | 47.8 | Very low | 149 Ų | 149 | 120.1 Ų | 120.1 | 78% | 0.78 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -7.4 | 174 | -74.5 | 168.6 | 0 | 0 | 0 | 113.4 | ||
| 8 | S | 42.2 | Very low | 48.4 | Very low | 74 Ų | 74 | 118.3 Ų | 118.3 | 52% | 0.517 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.5 | 6.9 | 179.1 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | R4 L5 F6 T10 | R4-S8 PolarHBondContact O-OG 3.08Å; L5-S8 PolarHBondContact O-OG 2.99Å; L5-S8 VanDerWaalsContact O-OG 3.14Å; F6-S8 PolarHBondContact O-N 3.4Å; S8-T10 PolarHBondContact O-N 3.37Å |
| 9 | V | 49.8 | Very low | 49.2 | Very low | 50 Ų | 50 | 116.4 Ų | 116.4 | 30% | 0.303 | 59% | 0.592 | S | S | . | * | trans | -72.6 | 109.4 | 177.8 | 176.8 | 0 | 0 | 0 | 0 | 107.6 | L5 F6 D13 C14 | L5-V9 WeakPolarHBondContact O-CG2 3.32Å; F6-V9 HydrophobicContact CD1-CG2 4.26Å; F6-V9 HydrophobicContact CG-CG2 4.39Å; V9-D13 HydrophobicContact CB-CB 4.41Å; V9-D13 HydrophobicContact CG1-CB 3.59Å; V9-C14 WeakPolarHBondContact CG1-SG 3.31Å | ||
| 10 | T | 56.1 | Low | 49.6 | Very low | 71 Ų | 71 | 114.9 Ų | 114.9 | 44% | 0.436 | 60% | 0.598 | S | S | . | * | trans | -74 | 163.4 | 174.7 | 60.9 | 0 | 0 | 0 | 0 | 110.3 | S8 E12 D13 C14 | S8-T10 PolarHBondContact O-N 3.37Å; T10-E12 PolarHBondContact O-N 3.31Å; T10-E12 VanDerWaalsContact O-N 3.15Å; T10-D13 PolarHBondContact N-OD2 3.36Å; T10-D13 WeakPolarHBondContact O-CB 3.45Å; T10-D13 PolarHBondContact O-N 2.77Å; T10-D13 VanDerWaalsContact OG1-CG 3.29Å; T10-D13 PolarHBondContact OG1-N 2.64Å; T10-D13 PolarHBondContact OG1-OD2 3.23Å; T10-C14 PolarHBondContact O-N 3.31Å | ||
| 11 | E | 53 | Low | 49.9 | Very low | 107 Ų | 107 | 112.5 Ų | 112.5 | 50% | 0.5 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -55.1 | -31.5 | 175.2 | -159.7 | 170.6 | 175.4 | 0 | 0 | 111.3 | L15 R212 | E11-L15 WeakPolarHBondContact O-CG 3.4Å; E11-L15 PolarHBondContact O-N 2.84Å; E11-L15 VanDerWaalsContact O-N 3.15Å; E11-R212 IonicContact OE1-NH2 3.17Å; E11-R212 IonicContact OE2-NH2 2.84Å; E11-R212 PolarHBondContact OE2-NH2 3Å |
| 12 | E | 59.8 | Low | 50.6 | Low | 146 Ų | 146 | 104.3 Ų | 104.3 | 68% | 0.682 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.6 | -40.2 | 174.3 | -65.3 | -179.5 | 163.2 | 0 | 0 | 112.8 | T10 L15 L16 | T10-E12 PolarHBondContact O-N 3.31Å; T10-E12 VanDerWaalsContact O-N 3.15Å; E12-L15 PolarHBondContact O-N 3.29Å; E12-L16 WeakPolarHBondContact O-CB 3.04Å; E12-L16 PolarHBondContact O-N 3.14Å |
| 13 | D | 60.1 | Low | 51.8 | Low | 69 Ų | 69 | 109.4 Ų | 109.4 | 37% | 0.369 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.6 | -37 | 178.3 | -64.8 | -50.1 | 0 | 0 | 0 | 111.7 | V9 T10 L16 L17 | V9-D13 HydrophobicContact CB-CB 4.41Å; V9-D13 HydrophobicContact CG1-CB 3.59Å; T10-D13 PolarHBondContact N-OD2 3.36Å; T10-D13 WeakPolarHBondContact O-CB 3.45Å; T10-D13 PolarHBondContact O-N 2.77Å; T10-D13 VanDerWaalsContact OG1-CG 3.29Å; T10-D13 PolarHBondContact OG1-N 2.64Å; T10-D13 PolarHBondContact OG1-OD2 3.23Å; D13-L16 PolarHBondContact O-N 3.11Å; D13-L17 WeakPolarHBondContact O-CB 3.19Å; D13-L17 PolarHBondContact O-N 2.61Å |
| 14 | C | 56.3 | Low | 52.8 | Low | 64 Ų | 64 | 110.2 Ų | 110.2 | 43% | 0.432 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64 | -43.3 | 173.1 | -79.4 | 0 | 0 | 0 | 0 | 111.6 | V9 T10 L17 I18 | V9-C14 WeakPolarHBondContact CG1-SG 3.31Å; T10-C14 PolarHBondContact O-N 3.31Å; C14-L17 PolarHBondContact O-N 2.94Å; C14-I18 WeakPolarHBondContact O-CD1 3.4Å; C14-I18 WeakPolarHBondContact O-CG1 3.45Å; C14-I18 PolarHBondContact O-N 2.95Å |
| 15 | L | 60.1 | Low | 54 | Low | 108 Ų | 108 | 102.8 Ų | 102.8 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.4 | -38.5 | 177.5 | -72.8 | 169.9 | 0 | 0 | 0 | 112 | E11 E12 I18 A19 | E11-L15 WeakPolarHBondContact O-CG 3.4Å; E11-L15 PolarHBondContact O-N 2.84Å; E11-L15 VanDerWaalsContact O-N 3.15Å; E12-L15 PolarHBondContact O-N 3.29Å; L15-I18 PolarHBondContact O-N 2.73Å; L15-A19 VanDerWaalsContact O-CB 3.29Å; L15-A19 WeakPolarHBondContact O-CB 3.36Å; L15-A19 PolarHBondContact O-N 3.44Å |
| 16 | L | 64.5 | Low | 54.9 | Low | 118 Ų | 118 | 103 Ų | 103 | 62% | 0.618 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63 | -40.4 | 172 | -106.6 | 134.7 | 0 | 0 | 0 | 111.8 | E12 D13 A19 A20 | E12-L16 WeakPolarHBondContact O-CB 3.04Å; E12-L16 PolarHBondContact O-N 3.14Å; D13-L16 PolarHBondContact O-N 3.11Å; L16-A19 PolarHBondContact O-N 3.07Å; L16-A20 WeakPolarHBondContact O-CB 3.22Å; L16-A20 PolarHBondContact O-N 3.39Å |
| 17 | L | 53.9 | Low | 55.5 | Low | 93 Ų | 93 | 101.1 Ų | 101.1 | 49% | 0.487 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 175 | -127.7 | 94.5 | 0 | 0 | 0 | 111.7 | D13 C14 A20 L21 L29 | D13-L17 WeakPolarHBondContact O-CB 3.19Å; D13-L17 PolarHBondContact O-N 2.61Å; C14-L17 PolarHBondContact O-N 2.94Å; L17-A20 PolarHBondContact O-N 3.29Å; L17-L21 HydrophobicContact CD2-CD1 4.22Å; L17-L21 HydrophobicContact CG-CD1 4.47Å; L17-L21 WeakPolarHBondContact O-CB 3.48Å; L17-L21 WeakPolarHBondContact O-CD1 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.2Å; L17-L21 PolarHBondContact O-N 3.43Å; L17-L29 HydrophobicContact CD2-CD1 4.48Å |
| 18 | I | 58.9 | Low | 56.4 | Low | 88 Ų | 88 | 100.6 Ų | 100.6 | 45% | 0.451 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 177.9 | -68.9 | 163.9 | 0 | 0 | 0 | 110.7 | C14 L15 L29 | C14-I18 WeakPolarHBondContact O-CD1 3.4Å; C14-I18 WeakPolarHBondContact O-CG1 3.45Å; C14-I18 PolarHBondContact O-N 2.95Å; L15-I18 PolarHBondContact O-N 2.73Å; I18-L29 HydrophobicContact CG1-CD2 4.1Å |
| 19 | A | 63.8 | Low | 57.1 | Low | 81 Ų | 81 | 98.7 Ų | 98.7 | 67% | 0.669 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.4 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L15 L16 | L15-A19 VanDerWaalsContact O-CB 3.29Å; L15-A19 WeakPolarHBondContact O-CB 3.36Å; L15-A19 PolarHBondContact O-N 3.44Å; L16-A19 PolarHBondContact O-N 3.07Å |
| 20 | A | 56.2 | Low | 57.7 | Low | 86 Ų | 86 | 100.1 Ų | 100.1 | 71% | 0.711 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.5 | -31.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L16 L17 | L16-A20 WeakPolarHBondContact O-CB 3.22Å; L16-A20 PolarHBondContact O-N 3.39Å; L17-A20 PolarHBondContact O-N 3.29Å |
| 21 | L | 55.1 | Low | 58.2 | Low | 65 Ų | 65 | 100.4 Ų | 100.4 | 34% | 0.34 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -81.2 | -18 | -173.8 | -74.6 | 169.2 | 0 | 0 | 0 | 114.2 | L17 N25 L29 | L17-L21 HydrophobicContact CD2-CD1 4.22Å; L17-L21 HydrophobicContact CG-CD1 4.47Å; L17-L21 WeakPolarHBondContact O-CB 3.48Å; L17-L21 WeakPolarHBondContact O-CD1 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.2Å; L17-L21 PolarHBondContact O-N 3.43Å; L21-N25 HydrophobicContact CB-CB 4.42Å; L21-N25 WeakPolarHBondContact O-CB 3.31Å; L21-N25 PolarHBondContact O-ND2 3.42Å; L21-N25 VanDerWaalsContact O-ND2 3.14Å; L21-L29 HydrophobicContact CD1-CB 4.45Å; L21-L29 HydrophobicContact CD1-CD1 3.76Å; L21-L29 HydrophobicContact CD1-CD2 4.26Å; L21-L29 HydrophobicContact CD1-CG 4.38Å |
| 22 | G | 57.7 | Low | 58.6 | Low | 41 Ų | 41 | 99.2 Ų | 99.2 | 42% | 0.423 | 53% | 0.534 | S | S | . | . | trans | 61.7 | 162.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K24 N25 | G22-K24 PolarHBondContact O-N 2.85Å; G22-N25 PolarHBondContact O-N 3.42Å | ||
| 23 | R | 56.4 | Low | 58.7 | Low | 250 Ų | 250 | 96.2 Ų | 96.2 | 94% | 0.943 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -54.9 | -25.5 | -177.3 | -74.5 | -174.1 | -170.2 | 173 | 3.2 | 114.2 | N25 | R23-N25 VanDerWaalsContact C-N 3.34Å; R23-N25 PolarHBondContact O-N 3.37Å |
| 24 | K | 50.7 | Low | 58.8 | Low | 200 Ų | 200 | 95.7 Ų | 95.7 | 87% | 0.87 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -75.6 | -15.8 | -174.8 | -68.1 | -173.4 | 178 | -177.6 | 0 | 114.4 | G22 | G22-K24 PolarHBondContact O-N 2.85Š|
| 25 | N | 56.9 | Low | 59.2 | Low | 60 Ų | 60 | 96 Ų | 96 | 32% | 0.321 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -113.9 | 10.4 | -178.5 | -66.7 | -52.4 | 0 | 0 | 0 | 114.2 | L21 G22 R23 S27 K28 L29 | L21-N25 HydrophobicContact CB-CB 4.42Å; L21-N25 WeakPolarHBondContact O-CB 3.31Å; L21-N25 PolarHBondContact O-ND2 3.42Å; L21-N25 VanDerWaalsContact O-ND2 3.14Å; G22-N25 PolarHBondContact O-N 3.42Å; R23-N25 VanDerWaalsContact C-N 3.34Å; R23-N25 PolarHBondContact O-N 3.37Å; N25-S27 VanDerWaalsContact C-N 3.26Å; N25-S27 PolarHBondContact O-N 3.3Å; N25-K28 PolarHBondContact O-N 2.95Å; N25-L29 PolarHBondContact O-N 3.43Å |
| 26 | Y | 56.2 | Low | 59.1 | Low | 117 Ų | 117 | 95.9 Ų | 95.9 | 46% | 0.459 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60 | -34.6 | -178 | -161.9 | -103.5 | 0 | 0 | 0 | 112.9 | L29 L30 | Y26-L29 PolarHBondContact O-N 3.01Å; Y26-L30 HydrophobicContact CD1-CD1 3.62Å; Y26-L30 HydrophobicContact CD1-CG 4.16Å; Y26-L30 HydrophobicContact CE1-CD1 3.59Å; Y26-L30 HydrophobicContact CE1-CD2 4.46Å; Y26-L30 HydrophobicContact CE1-CG 4.05Å; Y26-L30 WeakPolarHBondContact O-CB 3.41Å; Y26-L30 WeakPolarHBondContact O-CG 3.32Å; Y26-L30 PolarHBondContact O-N 2.88Å |
| 27 | S | 55.8 | Low | 58.4 | Low | 87 Ų | 87 | 94.9 Ų | 94.9 | 61% | 0.608 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.1 | -37.4 | 174.8 | 59.9 | 0 | 0 | 0 | 0 | 112.9 | N25 C31 | N25-S27 VanDerWaalsContact C-N 3.26Å; N25-S27 PolarHBondContact O-N 3.3Å; S27-C31 WeakPolarHBondContact O-CB 3.29Å; S27-C31 PolarHBondContact O-N 3.45Å |
| 28 | K | 61.7 | Low | 58.5 | Low | 138 Ų | 138 | 99.5 Ų | 99.5 | 60% | 0.6 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.8 | -41.6 | 174.6 | -71 | -176.2 | 179.1 | 176.2 | 0 | 110.9 | N25 C31 C32 | N25-K28 PolarHBondContact O-N 2.95Å; K28-C31 WeakPolarHBondContact O-CB 3.44Å; K28-C31 PolarHBondContact O-N 3Å; K28-C32 PolarHBondContact O-N 3.27Å; K28-C32 PolarHBondContact O-SG 3.12Å |
| 29 | L | 57.4 | Low | 58.1 | Low | 33 Ų | 33 | 97.7 Ų | 97.7 | 17% | 0.173 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 176 | -174.5 | 66.1 | 0 | 0 | 0 | 111.7 | L17 I18 L21 N25 Y26 C31 C32 I33 | L17-L29 HydrophobicContact CD2-CD1 4.48Å; I18-L29 HydrophobicContact CG1-CD2 4.1Å; L21-L29 HydrophobicContact CD1-CB 4.45Å; L21-L29 HydrophobicContact CD1-CD1 3.76Å; L21-L29 HydrophobicContact CD1-CD2 4.26Å; L21-L29 HydrophobicContact CD1-CG 4.38Å; N25-L29 PolarHBondContact O-N 3.43Å; Y26-L29 PolarHBondContact O-N 3.01Å; L29-C31 VanDerWaalsContact C-N 3.29Å; L29-C31 PolarHBondContact O-N 3.36Å; L29-C32 WeakPolarHBondContact O-CB 3.5Å; L29-C32 PolarHBondContact O-N 3.27Å; L29-I33 HydrophobicContact CD1-CD1 4.5Å; L29-I33 HydrophobicContact CG-CD1 4.07Å; L29-I33 WeakPolarHBondContact O-CG1 3.46Å; L29-I33 PolarHBondContact O-N 2.81Å |
| 30 | L | 61.9 | Low | 57.3 | Low | 80 Ų | 80 | 96.6 Ų | 96.6 | 42% | 0.419 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.5 | -38.5 | 174.2 | -76.8 | 169.9 | 0 | 0 | 0 | 112.2 | Y26 I33 A34 | Y26-L30 HydrophobicContact CD1-CD1 3.62Å; Y26-L30 HydrophobicContact CD1-CG 4.16Å; Y26-L30 HydrophobicContact CE1-CD1 3.59Å; Y26-L30 HydrophobicContact CE1-CD2 4.46Å; Y26-L30 HydrophobicContact CE1-CG 4.05Å; Y26-L30 WeakPolarHBondContact O-CB 3.41Å; Y26-L30 WeakPolarHBondContact O-CG 3.32Å; Y26-L30 PolarHBondContact O-N 2.88Å; L30-I33 PolarHBondContact O-N 2.92Å; L30-A34 VanDerWaalsContact O-CB 3.28Å; L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 2.83Å |
| 31 | C | 65.6 | Low | 56.9 | Low | 78 Ų | 78 | 98.9 Ų | 98.9 | 53% | 0.527 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.5 | -39 | 175.7 | -161 | 0 | 0 | 0 | 0 | 112 | S27 K28 L29 S35 | S27-C31 WeakPolarHBondContact O-CB 3.29Å; S27-C31 PolarHBondContact O-N 3.45Å; K28-C31 WeakPolarHBondContact O-CB 3.44Å; K28-C31 PolarHBondContact O-N 3Å; L29-C31 VanDerWaalsContact C-N 3.29Å; L29-C31 PolarHBondContact O-N 3.36Å; C31-S35 VanDerWaalsContact O-CB 3.31Å; C31-S35 WeakPolarHBondContact O-CB 3.21Å; C31-S35 PolarHBondContact O-N 3.15Å; C31-S35 PolarHBondContact O-OG 3.25Å |
| 32 | C | 62.3 | Low | 56.7 | Low | 82 Ų | 82 | 99.8 Ų | 99.8 | 55% | 0.554 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -44.2 | 174.1 | -69.9 | 0 | 0 | 0 | 0 | 112 | K28 L29 S35 F36 | K28-C32 PolarHBondContact O-N 3.27Å; K28-C32 PolarHBondContact O-SG 3.12Å; L29-C32 WeakPolarHBondContact O-CB 3.5Å; L29-C32 PolarHBondContact O-N 3.27Å; C32-S35 PolarHBondContact O-N 3.35Å; C32-F36 WeakPolarHBondContact O-CB 3.3Å; C32-F36 PolarHBondContact O-N 3.48Å |
| 33 | I | 62.1 | Low | 56.1 | Low | 83 Ų | 83 | 104 Ų | 104 | 43% | 0.426 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 176.2 | -66.5 | 166.7 | 0 | 0 | 0 | 110.6 | L29 L30 S35 F36 N37 | L29-I33 HydrophobicContact CD1-CD1 4.5Å; L29-I33 HydrophobicContact CG-CD1 4.07Å; L29-I33 WeakPolarHBondContact O-CG1 3.46Å; L29-I33 PolarHBondContact O-N 2.81Å; L30-I33 PolarHBondContact O-N 2.92Å; I33-S35 VanDerWaalsContact C-N 3.35Å; I33-S35 PolarHBondContact O-N 3.41Å; I33-F36 PolarHBondContact O-N 3.01Å; I33-N37 PolarHBondContact O-N 3.34Å |
| 34 | A | 62.1 | Low | 55.9 | Low | 58 Ų | 58 | 95.8 Ų | 95.8 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L30 R38 | L30-A34 VanDerWaalsContact O-CB 3.28Å; L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 2.83Å; A34-R38 WeakPolarHBondContact O-CB 3.41Å; A34-R38 PolarHBondContact O-N 3.28Å |
| 35 | S | 65 | Low | 55.7 | Low | 69 Ų | 69 | 90.8 Ų | 90.8 | 48% | 0.483 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.3 | -36.5 | 175.5 | -59.3 | 0 | 0 | 0 | 0 | 112 | C31 C32 I33 R38 A39 | C31-S35 VanDerWaalsContact O-CB 3.31Å; C31-S35 WeakPolarHBondContact O-CB 3.21Å; C31-S35 PolarHBondContact O-N 3.15Å; C31-S35 PolarHBondContact O-OG 3.25Å; C32-S35 PolarHBondContact O-N 3.35Å; I33-S35 VanDerWaalsContact C-N 3.35Å; I33-S35 PolarHBondContact O-N 3.41Å; S35-R38 PolarHBondContact O-N 2.95Å; S35-A39 WeakPolarHBondContact O-CB 3.32Å; S35-A39 PolarHBondContact O-N 3.43Å |
| 36 | F | 58 | Low | 55.1 | Low | 106 Ų | 106 | 97.4 Ų | 97.4 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.3 | -46.5 | 175.3 | -175.5 | -95.4 | 0 | 0 | 0 | 111.9 | C32 I33 R38 A39 S40 | C32-F36 WeakPolarHBondContact O-CB 3.3Å; C32-F36 PolarHBondContact O-N 3.48Å; I33-F36 PolarHBondContact O-N 3.01Å; F36-R38 VanDerWaalsContact C-N 3.26Å; F36-R38 PolarHBondContact O-N 2.9Å; F36-A39 PolarHBondContact O-N 2.94Å; F36-A39 VanDerWaalsContact O-N 3.14Å; F36-S40 PolarHBondContact O-N 2.84Å |
| 37 | N | 50 | Low | 54.6 | Low | 98 Ų | 98 | 95.5 Ų | 95.5 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 174.6 | -72.8 | -15.4 | 0 | 0 | 0 | 111.4 | I33 F41 | I33-N37 PolarHBondContact O-N 3.34Å; N37-F41 WeakPolarHBondContact O-CB 3.38Å; N37-F41 PolarHBondContact O-N 2.84Å |
| 38 | R | 55.8 | Low | 54.2 | Low | 189 Ų | 189 | 98.2 Ų | 98.2 | 71% | 0.713 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.8 | -39.5 | 175 | -160 | 177.7 | -164 | -176.6 | 3.7 | 112.3 | A34 S35 F36 F41 I42 | A34-R38 WeakPolarHBondContact O-CB 3.41Å; A34-R38 PolarHBondContact O-N 3.28Å; S35-R38 PolarHBondContact O-N 2.95Å; F36-R38 VanDerWaalsContact C-N 3.26Å; F36-R38 PolarHBondContact O-N 2.9Å; R38-F41 PolarHBondContact O-N 3.31Å; R38-I42 HydrophobicContact CG-CD1 4.26Å; R38-I42 WeakPolarHBondContact O-CD1 3.32Å; R38-I42 VanDerWaalsContact O-CG1 3.25Å; R38-I42 WeakPolarHBondContact O-CG1 3.25Å; R38-I42 PolarHBondContact O-N 2.95Å |
| 39 | A | 49.6 | Very low | 53.1 | Low | 51 Ų | 51 | 100.2 Ų | 100.2 | 42% | 0.421 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.8 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S35 F36 F41 I42 M43 | S35-A39 WeakPolarHBondContact O-CB 3.32Å; S35-A39 PolarHBondContact O-N 3.43Å; F36-A39 PolarHBondContact O-N 2.94Å; F36-A39 VanDerWaalsContact O-N 3.14Å; A39-F41 VanDerWaalsContact C-N 3.34Å; A39-I42 PolarHBondContact O-N 3.41Å; A39-M43 WeakPolarHBondContact O-CG 3.45Å; A39-M43 PolarHBondContact O-N 3.16Å; A39-M43 VanDerWaalsContact O-N 3.07Å |
| 40 | S | 46.1 | Very low | 52.2 | Low | 57 Ų | 57 | 104.3 Ų | 104.3 | 40% | 0.399 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 174.1 | -163.7 | 0 | 0 | 0 | 0 | 111.2 | F36 M43 E44 | F36-S40 PolarHBondContact O-N 2.84Å; S40-M43 PolarHBondContact O-N 3.45Å; S40-E44 PolarHBondContact O-N 3.09Å; S40-E44 VanDerWaalsContact O-N 3.11Å |
| 41 | F | 48.4 | Very low | 51 | Low | 134 Ų | 134 | 104.6 Ų | 104.6 | 59% | 0.588 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.4 | -45.2 | 176.5 | -172.2 | -93.6 | 0 | 0 | 0 | 112.6 | N37 R38 A39 M43 E44 D45 | N37-F41 WeakPolarHBondContact O-CB 3.38Å; N37-F41 PolarHBondContact O-N 2.84Å; R38-F41 PolarHBondContact O-N 3.31Å; A39-F41 VanDerWaalsContact C-N 3.34Å; F41-M43 VanDerWaalsContact C-N 3.26Å; F41-M43 PolarHBondContact O-N 3.39Å; F41-E44 PolarHBondContact O-N 2.86Å; F41-D45 PolarHBondContact O-N 2.9Å |
| 42 | I | 51.1 | Low | 49.6 | Very low | 85 Ų | 85 | 107.1 Ų | 107.1 | 44% | 0.436 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.3 | -30.1 | 178.2 | -67.6 | 165.3 | 0 | 0 | 0 | 111.9 | R38 A39 R46 | R38-I42 HydrophobicContact CG-CD1 4.26Å; R38-I42 WeakPolarHBondContact O-CD1 3.32Å; R38-I42 VanDerWaalsContact O-CG1 3.25Å; R38-I42 WeakPolarHBondContact O-CG1 3.25Å; R38-I42 PolarHBondContact O-N 2.95Å; A39-I42 PolarHBondContact O-N 3.41Å; I42-R46 WeakPolarHBondContact O-CG 3.29Å; I42-R46 PolarHBondContact O-N 3.12Å |
| 43 | M | 46.1 | Very low | 48.3 | Very low | 129 Ų | 129 | 108.4 Ų | 108.4 | 64% | 0.635 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -76.4 | -32.5 | 176.9 | -74.2 | -168 | 125.2 | 0 | 0 | 112.9 | A39 S40 F41 S47 | A39-M43 WeakPolarHBondContact O-CG 3.45Å; A39-M43 PolarHBondContact O-N 3.16Å; A39-M43 VanDerWaalsContact O-N 3.07Å; S40-M43 PolarHBondContact O-N 3.45Å; F41-M43 VanDerWaalsContact C-N 3.26Å; F41-M43 PolarHBondContact O-N 3.39Å; M43-S47 PolarHBondContact O-N 2.75Å |
| 44 | E | 51.6 | Low | 46.9 | Very low | 78 Ų | 78 | 112 Ų | 112 | 36% | 0.364 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -73.6 | -38.9 | 174.8 | -75.7 | -176.5 | 149.9 | 0 | 0 | 112.2 | S40 F41 R46 S47 | S40-E44 PolarHBondContact O-N 3.09Å; S40-E44 VanDerWaalsContact O-N 3.11Å; F41-E44 PolarHBondContact O-N 2.86Å; E44-R46 VanDerWaalsContact C-N 3.26Å; E44-R46 PolarHBondContact O-N 2.88Å; E44-S47 WeakPolarHBondContact O-CB 3.47Å; E44-S47 PolarHBondContact O-N 3.1Å; E44-S47 PolarHBondContact O-OG 3.42Å |
| 45 | D | 47 | Very low | 45.5 | Very low | 95 Ų | 95 | 116.9 Ų | 116.9 | 51% | 0.508 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.7 | -33.2 | 176 | -122.4 | -5.9 | 0 | 0 | 0 | 111.9 | F41 S47 | F41-D45 PolarHBondContact O-N 2.9Å; D45-S47 VanDerWaalsContact C-N 3.3Å; D45-S47 PolarHBondContact O-N 2.86Å |
| 46 | R | 44.2 | Very low | 44 | Very low | 199 Ų | 199 | 120.3 Ų | 120.3 | 75% | 0.751 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -13.6 | 174.1 | -76.3 | -176.8 | 175.3 | -173.1 | -0.9 | 114.3 | I42 E44 | I42-R46 WeakPolarHBondContact O-CG 3.29Å; I42-R46 PolarHBondContact O-N 3.12Å; E44-R46 VanDerWaalsContact C-N 3.26Å; E44-R46 PolarHBondContact O-N 2.88Å |
| 47 | S | 45.1 | Very low | 43 | Very low | 76 Ų | 76 | 119.1 Ų | 119.1 | 53% | 0.531 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.3 | -13.9 | 178.1 | 78.2 | 0 | 0 | 0 | 0 | 113.5 | M43 E44 D45 | M43-S47 PolarHBondContact O-N 2.75Å; E44-S47 WeakPolarHBondContact O-CB 3.47Å; E44-S47 PolarHBondContact O-N 3.1Å; E44-S47 PolarHBondContact O-OG 3.42Å; D45-S47 VanDerWaalsContact C-N 3.3Å; D45-S47 PolarHBondContact O-N 2.86Å |
| 48 | L | 46.9 | Very low | 42.4 | Very low | 145 Ų | 145 | 120.9 Ų | 120.9 | 76% | 0.759 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -93.2 | -10.2 | -176.9 | -80.4 | 155.8 | 0 | 0 | 0 | 114.2 | ||
| 49 | E | 39.4 | Very low | 42.1 | Very low | 180 Ų | 180 | 117.4 Ų | 117.4 | 84% | 0.841 | 65% | 0.649 | S | S | * | * | trans | -104 | 5.3 | -178.6 | -71.7 | -163.6 | 154 | 0 | 0 | 115.3 | S51 | E49-S51 PolarHBondContact O-N 3.05Š| ||
| 50 | T | 38.9 | Very low | 42.1 | Very low | 118 Ų | 118 | 124 Ų | 124 | 72% | 0.724 | 67% | 0.67 | S | S | * | * | trans | -84.4 | 97.8 | 169.9 | 39.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 51 | S | 34.9 | Very low | 42.5 | Very low | 86 Ų | 86 | 126.4 Ų | 126.4 | 60% | 0.601 | 68% | 0.679 | S | S | * | * | trans | -32.3 | 139.3 | 167.1 | -174.1 | 0 | 0 | 0 | 0 | 115 | E49 V53 | E49-S51 PolarHBondContact O-N 3.05Å; S51-V53 PolarHBondContact O-N 3Å | ||
| 52 | P | 36.2 | Very low | 43.3 | Very low | 132 Ų | 132 | 122.8 Ų | 122.8 | 86% | 0.857 | 67% | 0.671 | S | S | * | * | trans | -77.8 | 72.2 | 176.4 | 34.8 | -32.8 | 0 | 0 | 0 | 109.8 | L54 | P52-L54 PolarHBondContact O-N 2.94Š| ||
| 53 | V | 35.8 | Very low | 44.4 | Very low | 109 Ų | 109 | 124 Ų | 124 | 66% | 0.661 | 68% | 0.684 | S | S | * | * | trans | -90.4 | 97.4 | 172.6 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | S51 L55 | S51-V53 PolarHBondContact O-N 3Å; V53-L55 PolarHBondContact O-N 3.42Å | ||
| 54 | L | 32 | Very low | 46.2 | Very low | 159 Ų | 159 | 125.9 Ų | 125.9 | 83% | 0.832 | 69% | 0.688 | S | S | * | * | trans | 35.6 | 73.9 | 131.7 | -90.5 | 157.7 | 0 | 0 | 0 | 116.6 | P52 | P52-L54 PolarHBondContact O-N 2.94Š| ||
| 55 | L | 32.5 | Very low | 47.8 | Very low | 160 Ų | 160 | 127.2 Ų | 127.2 | 84% | 0.838 | 69% | 0.694 | S | S | * | * | trans | -154.2 | 89.6 | 155.2 | -74.1 | -179.4 | 0 | 0 | 0 | 108.8 | V53 P57 | V53-L55 PolarHBondContact O-N 3.42Å; L55-P57 VanDerWaalsContact O-CD 3.25Å; L55-P57 WeakPolarHBondContact O-CD 3.47Å | ||
| 56 | T | 34.3 | Very low | 49.6 | Very low | 141 Ų | 141 | 125 Ų | 125 | 87% | 0.865 | 69% | 0.69 | S | S | * | * | trans | -77.8 | 104.9 | 145.7 | 34.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 57 | P | 36.6 | Very low | 51.6 | Low | 80 Ų | 80 | 120.1 Ų | 120.1 | 52% | 0.519 | 68% | 0.675 | S | S | . | * | trans | -70.4 | 143.4 | 160.9 | -0.7 | 21.3 | 0 | 0 | 0 | 106.7 | L55 L59 | L55-P57 VanDerWaalsContact O-CD 3.25Å; L55-P57 WeakPolarHBondContact O-CD 3.47Å; P57-L59 HydrophobicContact CB-CD1 3.9Å; P57-L59 HydrophobicContact CB-CG 4.42Å; P57-L59 HydrophobicContact CG-CD1 3.76Å; P57-L59 PolarHBondContact O-N 3.28Å | ||
| 58 | P | 38 | Very low | 53.7 | Low | 135 Ų | 135 | 123 Ų | 123 | 88% | 0.877 | 68% | 0.679 | S | S | * | * | trans | -72.5 | 85.1 | 164.1 | 31.3 | -27.6 | 0 | 0 | 0 | 106 | E60 | P58-E60 PolarHBondContact O-N 3.44Š| ||
| 59 | L | 48.7 | Very low | 55.7 | Low | 117 Ų | 117 | 118 Ų | 118 | 61% | 0.613 | 65% | 0.654 | S | S | * | * | trans | -82.5 | 111.1 | 170.8 | -96.2 | 133.1 | 0 | 0 | 0 | 106.7 | P57 D61 | P57-L59 HydrophobicContact CB-CD1 3.9Å; P57-L59 HydrophobicContact CB-CG 4.42Å; P57-L59 HydrophobicContact CG-CD1 3.76Å; P57-L59 PolarHBondContact O-N 3.28Å; L59-D61 PolarHBondContact O-N 3.44Å | ||
| 60 | E | 51.1 | Low | 58.1 | Low | 188 Ų | 188 | 115.5 Ų | 115.5 | 88% | 0.879 | 64% | 0.64 | S | S | * | * | trans | -51.1 | 96.5 | 150.9 | -77.9 | 178.7 | 141.8 | 0 | 0 | 106.8 | P58 S62 | P58-E60 PolarHBondContact O-N 3.44Å; E60-S62 PolarHBondContact O-N 3.45Å | ||
| 61 | D | 54.8 | Low | 60.5 | Low | 108 Ų | 108 | 117.3 Ų | 117.3 | 58% | 0.578 | 63% | 0.634 | S | S | * | * | trans | -53.2 | 110.6 | 173.2 | -79.6 | -31.2 | 0 | 0 | 0 | 106.9 | L59 | L59-D61 PolarHBondContact O-N 3.44Š| ||
| 62 | S | 64.4 | Low | 63.1 | Low | 59 Ų | 59 | 115.9 Ų | 115.9 | 41% | 0.413 | 62% | 0.617 | S | S | . | * | trans | -56 | 132.1 | 174.1 | 75.2 | 0 | 0 | 0 | 0 | 106.6 | E60 K64 E65 | E60-S62 PolarHBondContact O-N 3.45Å; S62-K64 PolarHBondContact O-N 3.03Å; S62-E65 PolarHBondContact O-N 3.42Å | ||
| 63 | P | 73.6 | Confident | 65.8 | Low | 109 Ų | 109 | 112 Ų | 112 | 71% | 0.708 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -55.8 | -21.7 | -172.9 | 16.9 | -30.6 | 0 | 0 | 0 | 112.9 | E67 | P63-E67 VanDerWaalsContact O-CB 3.31Å; P63-E67 WeakPolarHBondContact O-CB 3.34Å; P63-E67 PolarHBondContact O-N 3.22Å |
| 64 | K | 84.6 | Confident | 68.5 | Low | 170 Ų | 170 | 112.7 Ų | 112.7 | 74% | 0.739 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.7 | -36.3 | 174.4 | -63 | -178 | 179.4 | 178.3 | 0 | 113.6 | S62 F68 | S62-K64 PolarHBondContact O-N 3.03Å; K64-F68 VanDerWaalsContact O-CB 3.31Å; K64-F68 WeakPolarHBondContact O-CB 3.14Å; K64-F68 PolarHBondContact O-N 3.49Å |
| 65 | E | 84 | Confident | 71.3 | Confident | 105 Ų | 105 | 113 Ų | 113 | 49% | 0.491 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -74.9 | -47 | -178.6 | -175.6 | 166.2 | -169.3 | 0 | 0 | 111.4 | S62 E67 F68 V69 | S62-E65 PolarHBondContact O-N 3.42Å; E65-E67 VanDerWaalsContact C-N 3.29Å; E65-E67 PolarHBondContact O-N 3.3Å; E65-F68 WeakPolarHBondContact O-CB 3.38Å; E65-F68 PolarHBondContact O-N 2.85Å; E65-F68 VanDerWaalsContact O-N 3.12Å; E65-V69 WeakPolarHBondContact O-CG2 3.02Å; E65-V69 PolarHBondContact O-N 2.77Å |
| 66 | A | 84.8 | Confident | 74.2 | Confident | 50 Ų | 50 | 105.7 Ų | 105.7 | 41% | 0.413 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K70 | A66-K70 WeakPolarHBondContact O-CB 3.44Å; A66-K70 PolarHBondContact O-N 2.91Å |
| 67 | E | 87.5 | Confident | 77 | Confident | 95 Ų | 95 | 104 Ų | 104 | 44% | 0.444 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 175.4 | -170.3 | 177.9 | -166.8 | 0 | 0 | 112 | P63 E65 K70 R71 | P63-E67 VanDerWaalsContact O-CB 3.31Å; P63-E67 WeakPolarHBondContact O-CB 3.34Å; P63-E67 PolarHBondContact O-N 3.22Å; E65-E67 VanDerWaalsContact C-N 3.29Å; E65-E67 PolarHBondContact O-N 3.3Å; E67-K70 PolarHBondContact O-N 2.89Å; E67-R71 WeakPolarHBondContact O-CB 3.31Å; E67-R71 VanDerWaalsContact O-CG 3.3Å; E67-R71 WeakPolarHBondContact O-CG 3.29Å; E67-R71 PolarHBondContact O-N 3.43Å; E67-R71 IonicContact OE1-CZ 3.29Å; E67-R71 VanDerWaalsContact OE1-CZ 3.29Å; E67-R71 IonicContact OE1-NE 3.31Å; E67-R71 PolarHBondContact OE1-NE 2.99Å; E67-R71 IonicContact OE1-NH2 2.64Å; E67-R71 PolarHBondContact OE1-NH2 3.17Å; E67-R71 IonicContact OE2-NH2 3.92Å |
| 68 | F | 88.1 | Confident | 79.7 | Confident | 137 Ų | 137 | 103.2 Ų | 103.2 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61 | -48.9 | 175.2 | 176.3 | -94.7 | 0 | 0 | 0 | 111.8 | K64 E65 K70 R71 F72 | K64-F68 VanDerWaalsContact O-CB 3.31Å; K64-F68 WeakPolarHBondContact O-CB 3.14Å; K64-F68 PolarHBondContact O-N 3.49Å; E65-F68 WeakPolarHBondContact O-CB 3.38Å; E65-F68 PolarHBondContact O-N 2.85Å; E65-F68 VanDerWaalsContact O-N 3.12Å; F68-K70 VanDerWaalsContact C-N 3.33Å; F68-K70 PolarHBondContact O-N 3.23Å; F68-R71 PolarHBondContact O-N 3.02Å; F68-F72 WeakPolarHBondContact O-CB 3.37Å; F68-F72 PolarHBondContact O-N 3.21Å |
| 69 | V | 89.4 | Confident | 82.4 | Confident | 39 Ų | 39 | 100.1 Ų | 100.1 | 24% | 0.236 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 178.6 | 173 | 0 | 0 | 0 | 0 | 110.7 | E65 F72 K73 | E65-V69 WeakPolarHBondContact O-CG2 3.02Å; E65-V69 PolarHBondContact O-N 2.77Å; V69-F72 PolarHBondContact O-N 3.17Å; V69-K73 HydrophobicContact CG1-CD 4.08Å; V69-K73 HydrophobicContact CG1-CG 4.42Å; V69-K73 WeakPolarHBondContact O-CB 3.48Å; V69-K73 VanDerWaalsContact O-CG 3.32Å; V69-K73 WeakPolarHBondContact O-CG 3.2Å; V69-K73 PolarHBondContact O-N 2.76Å |
| 70 | K | 89.4 | Confident | 84.6 | Confident | 128 Ų | 128 | 94.9 Ų | 94.9 | 56% | 0.557 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.2 | -50.4 | 176.3 | -175 | -176.1 | 175.8 | -170 | 0 | 111.7 | A66 E67 F68 F72 K73 E74 | A66-K70 WeakPolarHBondContact O-CB 3.44Å; A66-K70 PolarHBondContact O-N 2.91Å; E67-K70 PolarHBondContact O-N 2.89Å; F68-K70 VanDerWaalsContact C-N 3.33Å; F68-K70 PolarHBondContact O-N 3.23Å; K70-F72 VanDerWaalsContact C-N 3.31Å; K70-F72 PolarHBondContact O-N 3.4Å; K70-K73 PolarHBondContact O-N 3.26Å; K70-E74 PolarHBondContact O-N 3.05Å; K70-E74 VanDerWaalsContact O-N 3.07Å |
| 71 | R | 90.3 | Very high | 86.7 | Confident | 156 Ų | 156 | 88.2 Ų | 88.2 | 59% | 0.589 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61 | -40.3 | 178 | -72.6 | 176.7 | -176.1 | -167.4 | 2.5 | 111.7 | E67 F68 K75 | E67-R71 WeakPolarHBondContact O-CB 3.31Å; E67-R71 VanDerWaalsContact O-CG 3.3Å; E67-R71 WeakPolarHBondContact O-CG 3.29Å; E67-R71 PolarHBondContact O-N 3.43Å; E67-R71 IonicContact OE1-CZ 3.29Å; E67-R71 VanDerWaalsContact OE1-CZ 3.29Å; E67-R71 IonicContact OE1-NE 3.31Å; E67-R71 PolarHBondContact OE1-NE 2.99Å; E67-R71 IonicContact OE1-NH2 2.64Å; E67-R71 PolarHBondContact OE1-NH2 3.17Å; E67-R71 IonicContact OE2-NH2 3.92Å; F68-R71 PolarHBondContact O-N 3.02Å; R71-K75 WeakPolarHBondContact O-CB 3.42Å; R71-K75 PolarHBondContact O-N 3.41Å |
| 72 | F | 90.2 | Very high | 88.6 | Confident | 56 Ų | 56 | 88.8 Ų | 88.8 | 25% | 0.246 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.9 | -49 | 176.2 | -178.4 | -89.8 | 0 | 0 | 0 | 111.2 | F68 V69 K70 E74 K75 Y76 V222 W223 L226 | F68-F72 WeakPolarHBondContact O-CB 3.37Å; F68-F72 PolarHBondContact O-N 3.21Å; V69-F72 PolarHBondContact O-N 3.17Å; K70-F72 VanDerWaalsContact C-N 3.31Å; K70-F72 PolarHBondContact O-N 3.4Å; F72-E74 VanDerWaalsContact C-N 3.34Å; F72-E74 PolarHBondContact O-N 2.82Å; F72-K75 PolarHBondContact O-N 2.89Å; F72-Y76 VanDerWaalsContact O-CB 3.25Å; F72-Y76 WeakPolarHBondContact O-CB 3.47Å; F72-Y76 PolarHBondContact O-N 3.45Å; F72-V222 HydrophobicContact CZ-CG1 4.46Å; F72-W223 HydrophobicContact CE1-CB 4.15Å; F72-L226 HydrophobicContact CD1-CD1 3.38Å; F72-L226 HydrophobicContact CE1-CD1 3.61Å; F72-L226 HydrophobicContact CG-CD1 4.33Å |
| 73 | K | 91.8 | Very high | 90.2 | Very high | 50 Ų | 50 | 88.3 Ų | 88.3 | 22% | 0.217 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -56.9 | -45.7 | 178.9 | -77.2 | 176.5 | 171.2 | -160.8 | 0 | 112.3 | V69 K70 R77 W223 L226 H227 | V69-K73 HydrophobicContact CG1-CD 4.08Å; V69-K73 HydrophobicContact CG1-CG 4.42Å; V69-K73 WeakPolarHBondContact O-CB 3.48Å; V69-K73 VanDerWaalsContact O-CG 3.32Å; V69-K73 WeakPolarHBondContact O-CG 3.2Å; V69-K73 PolarHBondContact O-N 2.76Å; K70-K73 PolarHBondContact O-N 3.26Å; K73-R77 WeakPolarHBondContact O-CB 3.48Å; K73-R77 PolarHBondContact O-N 3.2Å; K73-W223 PolarHBondContact O-NE1 2.56Å; K73-W223 VanDerWaalsContact O-NE1 3.1Å; K73-L226 VanDerWaalsContact CE-C 3.46Å; K73-L226 WeakPolarHBondContact CE-O 3.48Å; K73-L226 PolarHBondContact NZ-O 2.77Å; K73-H227 VanDerWaalsContact CD-CE1 3.47Å; K73-H227 WeakPolarHBondContact CD-CE1 3.35Å; K73-H227 WeakPolarHBondContact CE-ND1 3.19Å; K73-H227 PolarHBondContact NZ-ND1 3.33Å; K73-H227 VanDerWaalsContact NZ-ND1 3.12Å |
| 74 | E | 91.7 | Very high | 91.4 | Very high | 124 Ų | 124 | 83.1 Ų | 83.1 | 58% | 0.579 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -70.8 | -44.9 | -179 | -175.6 | 171.8 | -171.2 | 0 | 0 | 112.7 | K70 F72 Y76 R77 S78 | K70-E74 PolarHBondContact O-N 3.05Å; K70-E74 VanDerWaalsContact O-N 3.07Å; F72-E74 VanDerWaalsContact C-N 3.34Å; F72-E74 PolarHBondContact O-N 2.82Å; E74-Y76 VanDerWaalsContact C-N 3.31Å; E74-Y76 PolarHBondContact O-N 3.32Å; E74-R77 PolarHBondContact O-N 3.14Å; E74-S78 PolarHBondContact O-N 3.4Å; E74-S78 VanDerWaalsContact O-N 3.09Å; E74-S78 PolarHBondContact O-OG 3.1Å; E74-S78 VanDerWaalsContact O-OG 3.11Å |
| 75 | K | 92.1 | Very high | 92 | Very high | 165 Ų | 165 | 77 Ų | 77 | 72% | 0.717 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.7 | -44.9 | 175.1 | -177.5 | 179.4 | 178.1 | -177.2 | 0 | 110.9 | R71 F72 S78 Y79 | R71-K75 WeakPolarHBondContact O-CB 3.42Å; R71-K75 PolarHBondContact O-N 3.41Å; F72-K75 PolarHBondContact O-N 2.89Å; K75-S78 WeakPolarHBondContact O-CB 3.45Å; K75-S78 PolarHBondContact O-N 3.01Å; K75-Y79 PolarHBondContact O-N 2.74Å |
| 76 | Y | 92.9 | Very high | 92.6 | Very high | 8 Ų | 8 | 74.4 Ų | 74.4 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -74.4 | -32 | -177.1 | -159.5 | -96.9 | 0 | 0 | 0 | 112.7 | F72 E74 S78 Y79 I80 D216 Q219 T220 W223 | F72-Y76 VanDerWaalsContact O-CB 3.25Å; F72-Y76 WeakPolarHBondContact O-CB 3.47Å; F72-Y76 PolarHBondContact O-N 3.45Å; E74-Y76 VanDerWaalsContact C-N 3.31Å; E74-Y76 PolarHBondContact O-N 3.32Å; Y76-S78 VanDerWaalsContact C-N 3.31Å; Y76-S78 PolarHBondContact O-N 3.05Å; Y76-Y79 HydrophobicContact CD2-CD1 4.12Å; Y76-Y79 HydrophobicContact CD2-CG 4.44Å; Y76-Y79 AromaticContact CE2-CD1 3.58Å; Y76-Y79 HydrophobicContact CE2-CD1 3.58Å; Y76-Y79 HydrophobicContact CE2-CE1 4.06Å; Y76-Y79 HydrophobicContact CE2-CG 4.31Å; Y76-Y79 AromaticContact CZ-CD1 3.92Å; Y76-Y79 VanDerWaalsContact O-CB 3.32Å; Y76-Y79 WeakPolarHBondContact O-CB 3.02Å; Y76-Y79 PolarHBondContact O-N 3.44Å; Y76-Y79 VanDerWaalsContact O-N 3.16Å; Y76-I80 HydrophobicContact CD1-CD1 3.66Å; Y76-I80 HydrophobicContact CD1-CG1 3.84Å; Y76-I80 HydrophobicContact CE1-CD1 3.55Å; Y76-I80 HydrophobicContact CE1-CG1 3.55Å; Y76-I80 WeakPolarHBondContact O-CG1 3.43Å; Y76-I80 PolarHBondContact O-N 3.34Å; Y76-D216 PolarHBondContact OH-O 3.37Å; Y76-Q219 HydrophobicContact CE2-CB 3.47Å; Y76-Q219 VanDerWaalsContact CE2-CB 3.47Å; Y76-Q219 HydrophobicContact CE2-CG 4.42Å; Y76-Q219 VanDerWaalsContact OH-CB 3.25Å; Y76-Q219 WeakPolarHBondContact OH-CB 3.2Å; Y76-T220 HydrophobicContact CE1-CG2 4.49Å; Y76-T220 PolarHBondContact OH-N 3.28Å; Y76-T220 PolarHBondContact OH-OG1 2.88Å; Y76-W223 HydrophobicContact CD1-CB 3.39Å; Y76-W223 AromaticContact CD1-CD1 3.6Å; Y76-W223 AromaticContact CD1-CD2 3.92Å; Y76-W223 HydrophobicContact CD1-CD2 3.92Å; Y76-W223 AromaticContact CD1-CG 3.34Å; Y76-W223 HydrophobicContact CD1-CG 3.34Å; Y76-W223 HydrophobicContact CE1-CB 3.8Å; Y76-W223 HydrophobicContact CE1-CG 4.12Å; Y76-W223 HydrophobicContact CG-CB 4.1Å; Y76-W223 AromaticContact CG-CD1 3.93Å; Y76-W223 HydrophobicContact CG-CG 4.07Å |
| 77 | R | 92.3 | Very high | 93.3 | Very high | 105 Ų | 105 | 72.2 Ų | 72.2 | 40% | 0.396 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.3 | -47.5 | 167.9 | -176.9 | -169.3 | -174.7 | 160.1 | 7.8 | 111.1 | K73 E74 Y79 I80 A81 E327 | K73-R77 WeakPolarHBondContact O-CB 3.48Å; K73-R77 PolarHBondContact O-N 3.2Å; E74-R77 PolarHBondContact O-N 3.14Å; R77-Y79 VanDerWaalsContact C-N 3.27Å; R77-Y79 PolarHBondContact O-N 3.14Å; R77-I80 PolarHBondContact O-N 2.86Å; R77-A81 VanDerWaalsContact O-CB 3.32Å; R77-A81 WeakPolarHBondContact O-CB 3.42Å; R77-A81 PolarHBondContact O-N 2.82Å; R77-E327 VanDerWaalsContact CD-OE1 3.3Å; R77-E327 WeakPolarHBondContact CD-OE1 3.25Å; R77-E327 IonicContact CZ-OE1 3.28Å; R77-E327 VanDerWaalsContact CZ-OE1 3.28Å; R77-E327 IonicContact CZ-OE2 3.12Å; R77-E327 IonicContact NE-OE1 3.59Å; R77-E327 PolarHBondContact NE-OE1 3.39Å; R77-E327 IonicContact NH1-OE1 3.51Å; R77-E327 PolarHBondContact NH1-OE1 3.24Å; R77-E327 IonicContact NH1-OE2 3.8Å; R77-E327 PolarHBondContact NH1-OE2 3.31Å; R77-E327 IonicContact NH2-OE2 3.31Å; R77-E327 PolarHBondContact NH2-OE2 3.29Å |
| 78 | S | 93.9 | Very high | 93.7 | Very high | 63 Ų | 63 | 68.1 Ų | 68.1 | 44% | 0.441 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.4 | -34.1 | 176.8 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | E74 K75 Y76 N82 | E74-S78 PolarHBondContact O-N 3.4Å; E74-S78 VanDerWaalsContact O-N 3.09Å; E74-S78 PolarHBondContact O-OG 3.1Å; E74-S78 VanDerWaalsContact O-OG 3.11Å; K75-S78 WeakPolarHBondContact O-CB 3.45Å; K75-S78 PolarHBondContact O-N 3.01Å; Y76-S78 VanDerWaalsContact C-N 3.31Å; Y76-S78 PolarHBondContact O-N 3.05Å; S78-N82 PolarHBondContact O-N 3.32Å; S78-N82 PolarHBondContact O-ND2 2.87Å |
| 79 | Y | 94.8 | Very high | 94.2 | Very high | 70 Ų | 70 | 67 Ų | 67 | 28% | 0.275 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.4 | -55.8 | 173 | -176.5 | -101.4 | 0 | 0 | 0 | 111.3 | K75 Y76 R77 A81 N82 H83 F84 D216 | K75-Y79 PolarHBondContact O-N 2.74Å; Y76-Y79 HydrophobicContact CD2-CD1 4.12Å; Y76-Y79 HydrophobicContact CD2-CG 4.44Å; Y76-Y79 AromaticContact CE2-CD1 3.58Å; Y76-Y79 HydrophobicContact CE2-CD1 3.58Å; Y76-Y79 HydrophobicContact CE2-CE1 4.06Å; Y76-Y79 HydrophobicContact CE2-CG 4.31Å; Y76-Y79 AromaticContact CZ-CD1 3.92Å; Y76-Y79 VanDerWaalsContact O-CB 3.32Å; Y76-Y79 WeakPolarHBondContact O-CB 3.02Å; Y76-Y79 PolarHBondContact O-N 3.44Å; Y76-Y79 VanDerWaalsContact O-N 3.16Å; R77-Y79 VanDerWaalsContact C-N 3.27Å; R77-Y79 PolarHBondContact O-N 3.14Å; Y79-A81 VanDerWaalsContact C-N 3.26Å; Y79-A81 PolarHBondContact O-N 2.82Å; Y79-N82 PolarHBondContact O-N 3.49Å; Y79-H83 HydrophobicContact CD1-CB 4.27Å; Y79-H83 HydrophobicContact CD2-CB 4.07Å; Y79-H83 HydrophobicContact CE1-CB 4.17Å; Y79-H83 AromaticContact CE1-CD2 3.65Å; Y79-H83 HydrophobicContact CE2-CB 3.95Å; Y79-H83 AromaticContact CE2-CD2 3.96Å; Y79-H83 AromaticContact CE2-CG 3.74Å; Y79-H83 HydrophobicContact CG-CB 4.24Å; Y79-H83 AromaticContact CZ-CD2 3.31Å; Y79-H83 AromaticContact CZ-CG 3.58Å; Y79-H83 AromaticContact CZ-NE2 3.84Å; Y79-H83 WeakPolarHBondContact O-CA 3.35Å; Y79-H83 WeakPolarHBondContact O-CB 3.12Å; Y79-H83 PolarHBondContact O-N 3.49Å; Y79-H83 PolarHBondContact OH-CD2 3.47Å; Y79-H83 PolarHBondContact OH-NE2 3.42Å; Y79-F84 HydrophobicContact CE1-CE2 4.48Å; Y79-D216 WeakPolarHBondContact CE1-OD1 3.31Å; Y79-D216 PolarHBondContact OH-OD1 3.22Å |
| 80 | I | 94.6 | Very high | 94.6 | Very high | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.036 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.7 | -44.9 | 177.3 | -62.6 | 168.5 | 0 | 0 | 0 | 110.4 | Y76 R77 N82 F84 T220 W223 F316 I319 | Y76-I80 HydrophobicContact CD1-CD1 3.66Å; Y76-I80 HydrophobicContact CD1-CG1 3.84Å; Y76-I80 HydrophobicContact CE1-CD1 3.55Å; Y76-I80 HydrophobicContact CE1-CG1 3.55Å; Y76-I80 WeakPolarHBondContact O-CG1 3.43Å; Y76-I80 PolarHBondContact O-N 3.34Å; R77-I80 PolarHBondContact O-N 2.86Å; I80-N82 VanDerWaalsContact C-N 3.28Å; I80-N82 PolarHBondContact O-N 2.99Å; I80-F84 HydrophobicContact CB-CD2 4.35Å; I80-F84 HydrophobicContact CG1-CD2 4.46Å; I80-F84 HydrophobicContact CG1-CE2 4.14Å; I80-F84 HydrophobicContact CG2-CD1 4.37Å; I80-F84 HydrophobicContact CG2-CD2 4.2Å; I80-F84 HydrophobicContact CG2-CG 4.14Å; I80-F84 WeakPolarHBondContact O-CB 3.22Å; I80-F84 PolarHBondContact O-N 3.39Å; I80-T220 HydrophobicContact CD1-CG2 4.35Å; I80-W223 HydrophobicContact CD1-CD2 4.22Å; I80-W223 HydrophobicContact CD1-CE3 3.95Å; I80-W223 HydrophobicContact CD1-CH2 4.46Å; I80-W223 HydrophobicContact CD1-CZ3 4.08Å; I80-F316 HydrophobicContact CG2-CD2 4.31Å; I80-I319 HydrophobicContact CD1-CD1 4.12Å; I80-I319 HydrophobicContact CD1-CG2 4.43Å; I80-I319 HydrophobicContact CG2-CD1 4.45Å; I80-I319 HydrophobicContact CG2-CG2 4.43Å |
| 81 | A | 94.7 | Very high | 95 | Very high | 48 Ų | 48 | 63 Ų | 63 | 40% | 0.397 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59 | -35.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R77 Y79 | R77-A81 VanDerWaalsContact O-CB 3.32Å; R77-A81 WeakPolarHBondContact O-CB 3.42Å; R77-A81 PolarHBondContact O-N 2.82Å; Y79-A81 VanDerWaalsContact C-N 3.26Å; Y79-A81 PolarHBondContact O-N 2.82Å |
| 82 | N | 96.5 | Very high | 95.4 | Very high | 120 Ų | 120 | 61.4 Ų | 61.4 | 64% | 0.642 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -103.9 | -40.4 | -175.8 | -63.1 | -56.9 | 0 | 0 | 0 | 112.5 | S78 Y79 I80 A86 | S78-N82 PolarHBondContact O-N 3.32Å; S78-N82 PolarHBondContact O-ND2 2.87Å; Y79-N82 PolarHBondContact O-N 3.49Å; I80-N82 VanDerWaalsContact C-N 3.28Å; I80-N82 PolarHBondContact O-N 2.99Å; N82-A86 WeakPolarHBondContact O-CB 3.45Å; N82-A86 PolarHBondContact O-N 2.87Å |
| 83 | H | 97.2 | Very high | 95.7 | Very high | 49 Ų | 49 | 62.2 Ų | 62.2 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -77 | -42.6 | -171.4 | -169.4 | 66.5 | 0 | 0 | 0 | 112.6 | Y79 A86 M87 D216 | Y79-H83 HydrophobicContact CD1-CB 4.27Å; Y79-H83 HydrophobicContact CD2-CB 4.07Å; Y79-H83 HydrophobicContact CE1-CB 4.17Å; Y79-H83 AromaticContact CE1-CD2 3.65Å; Y79-H83 HydrophobicContact CE2-CB 3.95Å; Y79-H83 AromaticContact CE2-CD2 3.96Å; Y79-H83 AromaticContact CE2-CG 3.74Å; Y79-H83 HydrophobicContact CG-CB 4.24Å; Y79-H83 AromaticContact CZ-CD2 3.31Å; Y79-H83 AromaticContact CZ-CG 3.58Å; Y79-H83 AromaticContact CZ-NE2 3.84Å; Y79-H83 WeakPolarHBondContact O-CA 3.35Å; Y79-H83 WeakPolarHBondContact O-CB 3.12Å; Y79-H83 PolarHBondContact O-N 3.49Å; Y79-H83 PolarHBondContact OH-CD2 3.47Å; Y79-H83 PolarHBondContact OH-NE2 3.42Å; H83-A86 PolarHBondContact O-N 3.29Å; H83-M87 VanDerWaalsContact CE1-CG 3.48Å; H83-M87 WeakPolarHBondContact CE1-CG 3.25Å; H83-M87 WeakPolarHBondContact NE2-CG 3.49Å; H83-M87 WeakPolarHBondContact O-CB 3.17Å; H83-M87 WeakPolarHBondContact O-CG 3.43Å; H83-M87 PolarHBondContact O-N 3.39Å; H83-D216 IonicContact CD2-OD2 2.94Å; H83-D216 IonicContact NE2-OD1 2.61Å; H83-D216 IonicContact NE2-OD2 2.73Å; H83-D216 PolarHBondContact NE2-OD2 2.94Å |
| 84 | F | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.5 | -46.6 | -175.8 | -81.2 | -134.2 | 0 | 0 | 0 | 112.2 | Y79 I80 A86 M87 A88 D216 F217 T220 Y312 T315 F316 | Y79-F84 HydrophobicContact CE1-CE2 4.48Å; I80-F84 HydrophobicContact CB-CD2 4.35Å; I80-F84 HydrophobicContact CG1-CD2 4.46Å; I80-F84 HydrophobicContact CG1-CE2 4.14Å; I80-F84 HydrophobicContact CG2-CD1 4.37Å; I80-F84 HydrophobicContact CG2-CD2 4.2Å; I80-F84 HydrophobicContact CG2-CG 4.14Å; I80-F84 WeakPolarHBondContact O-CB 3.22Å; I80-F84 PolarHBondContact O-N 3.39Å; F84-A86 VanDerWaalsContact C-N 3.33Å; F84-A86 PolarHBondContact O-N 3.32Å; F84-M87 PolarHBondContact O-N 3.04Å; F84-A88 WeakPolarHBondContact O-CB 3.26Å; F84-A88 PolarHBondContact O-N 2.97Å; F84-D216 HydrophobicContact CE2-CB 4.3Å; F84-D216 HydrophobicContact CZ-CB 4.46Å; F84-F217 HydrophobicContact CE1-CE2 4.03Å; F84-F217 HydrophobicContact CE1-CZ 4.01Å; F84-F217 HydrophobicContact CZ-CE2 4.34Å; F84-T220 WeakPolarHBondContact CZ-OG1 3.48Å; F84-Y312 HydrophobicContact CB-CD1 4.24Å; F84-Y312 AromaticContact CD1-CD1 3.78Å; F84-Y312 HydrophobicContact CD1-CD1 3.78Å; F84-Y312 HydrophobicContact CD2-CD1 4.28Å; F84-Y312 HydrophobicContact CD2-CE1 4.41Å; F84-Y312 HydrophobicContact CE1-CD1 4.11Å; F84-Y312 HydrophobicContact CE2-CE1 4.47Å; F84-Y312 AromaticContact CG-CD1 3.85Å; F84-Y312 HydrophobicContact CG-CD1 3.85Å; F84-Y312 HydrophobicContact CG-CE1 4.43Å; F84-Y312 HydrophobicContact CZ-CD1 4.5Å; F84-T315 HydrophobicContact CD1-CG2 4.29Å; F84-T315 HydrophobicContact CE1-CG2 3.67Å; F84-F316 HydrophobicContact CB-CB 3.97Å; F84-F316 HydrophobicContact CB-CD2 4.2Å; F84-F316 HydrophobicContact CB-CG 4.42Å; F84-F316 HydrophobicContact CD1-CB 4.35Å |
| 85 | P | 97.7 | Very high | 95.9 | Very high | 41 Ų | 41 | 57.2 Ų | 57.2 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 173.2 | -25 | 35.8 | 0 | 0 | 0 | 113 | A88 L89 F316 | P85-A88 PolarHBondContact O-N 3.43Å; P85-L89 WeakPolarHBondContact O-CG 3.24Å; P85-L89 PolarHBondContact O-N 2.96Å; P85-F316 HydrophobicContact CG-CD1 4.12Å; P85-F316 HydrophobicContact CG-CD2 3.88Å; P85-F316 HydrophobicContact CG-CE1 3.96Å; P85-F316 HydrophobicContact CG-CE2 3.72Å; P85-F316 HydrophobicContact CG-CG 4.07Å; P85-F316 HydrophobicContact CG-CZ 3.75Å |
| 86 | A | 97.9 | Very high | 96 | Very high | 51 Ų | 51 | 53.9 Ų | 53.9 | 42% | 0.421 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | N82 H83 F84 L89 E90 | N82-A86 WeakPolarHBondContact O-CB 3.45Å; N82-A86 PolarHBondContact O-N 2.87Å; H83-A86 PolarHBondContact O-N 3.29Å; F84-A86 VanDerWaalsContact C-N 3.33Å; F84-A86 PolarHBondContact O-N 3.32Å; A86-L89 PolarHBondContact O-N 3.24Å; A86-E90 WeakPolarHBondContact O-CB 3.22Å; A86-E90 PolarHBondContact O-N 3.21Å |
| 87 | M | 97.8 | Very high | 95.9 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.025 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 176.1 | -74.6 | -54.8 | -57.5 | 0 | 0 | 112.1 | H83 F84 L89 E90 V91 F209 R212 Y312 | H83-M87 VanDerWaalsContact CE1-CG 3.48Å; H83-M87 WeakPolarHBondContact CE1-CG 3.25Å; H83-M87 WeakPolarHBondContact NE2-CG 3.49Å; H83-M87 WeakPolarHBondContact O-CB 3.17Å; H83-M87 WeakPolarHBondContact O-CG 3.43Å; H83-M87 PolarHBondContact O-N 3.39Å; F84-M87 PolarHBondContact O-N 3.04Å; M87-L89 VanDerWaalsContact C-N 3.29Å; M87-L89 PolarHBondContact O-N 2.84Å; M87-E90 PolarHBondContact O-N 3.07Å; M87-V91 WeakPolarHBondContact O-CG2 3.2Å; M87-V91 PolarHBondContact O-N 2.98Å; M87-F209 HydrophobicContact CE-CD1 3.92Å; M87-F209 HydrophobicContact CE-CE1 4.14Å; M87-R212 HydrophobicContact CE-CB 4.49Å; M87-Y312 HydrophobicContact CB-CD1 4.1Å; M87-Y312 HydrophobicContact CB-CD2 3.98Å; M87-Y312 HydrophobicContact CB-CE1 3.93Å; M87-Y312 HydrophobicContact CB-CE2 3.8Å; M87-Y312 HydrophobicContact CB-CG 4.11Å; M87-Y312 HydrophobicContact CE-CE2 4.3Å; M87-Y312 HydrophobicContact CG-CE1 4.18Å; M87-Y312 HydrophobicContact CG-CE2 4.42Å |
| 88 | A | 97.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 7% | 0.066 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60 | -40.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F84 P85 R92 | F84-A88 WeakPolarHBondContact O-CB 3.26Å; F84-A88 PolarHBondContact O-N 2.97Å; P85-A88 PolarHBondContact O-N 3.43Å; A88-R92 WeakPolarHBondContact O-CB 3.43Å; A88-R92 PolarHBondContact O-N 3.42Å |
| 89 | L | 97.9 | Very high | 95.4 | Very high | 113 Ų | 113 | 53.2 Ų | 53.2 | 59% | 0.592 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -70.4 | -39.6 | 176.1 | -71 | 173.4 | 0 | 0 | 0 | 112.7 | P85 A86 M87 R92 S93 | P85-L89 WeakPolarHBondContact O-CG 3.24Å; P85-L89 PolarHBondContact O-N 2.96Å; A86-L89 PolarHBondContact O-N 3.24Å; M87-L89 VanDerWaalsContact C-N 3.29Å; M87-L89 PolarHBondContact O-N 2.84Å; L89-R92 WeakPolarHBondContact O-CB 3.44Å; L89-R92 PolarHBondContact O-N 3.41Å; L89-S93 WeakPolarHBondContact O-CB 3.13Å; L89-S93 PolarHBondContact O-N 3.39Å |
| 90 | E | 97.9 | Very high | 95 | Very high | 83 Ų | 83 | 54.3 Ų | 54.3 | 39% | 0.388 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 176.3 | -172.8 | -175.9 | 161.4 | 0 | 0 | 111 | A86 M87 R92 S93 M94 F209 R212 | A86-E90 WeakPolarHBondContact O-CB 3.22Å; A86-E90 PolarHBondContact O-N 3.21Å; M87-E90 PolarHBondContact O-N 3.07Å; E90-R92 VanDerWaalsContact C-N 3.32Å; E90-R92 PolarHBondContact O-N 2.97Å; E90-S93 PolarHBondContact O-N 3.43Å; E90-M94 PolarHBondContact O-N 2.89Å; E90-F209 HydrophobicContact CB-CE1 4.49Å; E90-F209 HydrophobicContact CG-CE1 3.94Å; E90-F209 HydrophobicContact CG-CZ 4.08Å; E90-R212 IonicContact OE1-NH1 3.57Å |
| 91 | V | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 177 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | M87 S93 M94 I95 F209 L305 V308 Q309 | M87-V91 WeakPolarHBondContact O-CG2 3.2Å; M87-V91 PolarHBondContact O-N 2.98Å; V91-S93 PolarHBondContact O-N 2.96Å; V91-M94 WeakPolarHBondContact O-CB 3.41Å; V91-M94 PolarHBondContact O-N 3.5Å; V91-I95 HydrophobicContact CG1-CD1 3.96Å; V91-I95 WeakPolarHBondContact O-CG1 3.3Å; V91-I95 PolarHBondContact O-N 3.46Å; V91-F209 HydrophobicContact CB-CE1 4.46Å; V91-F209 HydrophobicContact CG2-CD1 3.41Å; V91-F209 VanDerWaalsContact CG2-CD1 3.41Å; V91-F209 HydrophobicContact CG2-CE1 3.56Å; V91-F209 HydrophobicContact CG2-CG 4.13Å; V91-F209 HydrophobicContact CG2-CZ 4.38Å; V91-L305 HydrophobicContact CG1-CB 4.46Å; V91-L305 HydrophobicContact CG1-CD2 4.45Å; V91-L305 VanDerWaalsContact CG1-O 3.29Å; V91-L305 WeakPolarHBondContact CG1-O 3.4Å; V91-V308 HydrophobicContact CG1-CB 4.47Å; V91-V308 HydrophobicContact CG2-CG1 3.95Å; V91-Q309 HydrophobicContact CB-CB 4.19Å; V91-Q309 HydrophobicContact CG1-CB 3.77Å |
| 92 | R | 97.6 | Very high | 92.6 | Very high | 123 Ų | 123 | 57.7 Ų | 57.7 | 46% | 0.464 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59 | -47.6 | 174.9 | -175.6 | -179.4 | 171.4 | 164.6 | 0.5 | 111.8 | A88 L89 E90 M94 I95 E96 Q309 | A88-R92 WeakPolarHBondContact O-CB 3.43Å; A88-R92 PolarHBondContact O-N 3.42Å; L89-R92 WeakPolarHBondContact O-CB 3.44Å; L89-R92 PolarHBondContact O-N 3.41Å; E90-R92 VanDerWaalsContact C-N 3.32Å; E90-R92 PolarHBondContact O-N 2.97Å; R92-M94 VanDerWaalsContact C-N 3.25Å; R92-M94 PolarHBondContact O-N 3.18Å; R92-I95 WeakPolarHBondContact O-CB 3.32Å; R92-I95 PolarHBondContact O-N 3Å; R92-E96 IonicContact CZ-OE1 3.48Å; R92-E96 IonicContact NE-OE1 3.91Å; R92-E96 PolarHBondContact NE-OE1 3.16Å; R92-E96 IonicContact NH2-OE1 3.78Å; R92-E96 PolarHBondContact NH2-OE1 3.12Å; R92-E96 WeakPolarHBondContact O-CG 3.41Å; R92-E96 PolarHBondContact O-N 2.93Å; R92-Q309 HydrophobicContact CB-CG 4.49Å |
| 93 | S | 96.9 | Very high | 90.6 | Very high | 74 Ų | 74 | 56.1 Ų | 56.1 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 177.6 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | L89 E90 V91 E96 S97 | L89-S93 WeakPolarHBondContact O-CB 3.13Å; L89-S93 PolarHBondContact O-N 3.39Å; E90-S93 PolarHBondContact O-N 3.43Å; V91-S93 PolarHBondContact O-N 2.96Å; S93-E96 PolarHBondContact O-N 3.3Å; S93-S97 WeakPolarHBondContact O-CB 3.42Å; S93-S97 PolarHBondContact O-N 2.91Å |
| 94 | M | 94.7 | Very high | 88.6 | Confident | 56 Ų | 56 | 56.7 Ų | 56.7 | 28% | 0.276 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 174.4 | -176 | 61.2 | 66.4 | 0 | 0 | 111.6 | E90 V91 R92 E96 S97 I98 I205 F209 L305 | E90-M94 PolarHBondContact O-N 2.89Å; V91-M94 WeakPolarHBondContact O-CB 3.41Å; V91-M94 PolarHBondContact O-N 3.5Å; R92-M94 VanDerWaalsContact C-N 3.25Å; R92-M94 PolarHBondContact O-N 3.18Å; M94-E96 VanDerWaalsContact C-N 3.34Å; M94-E96 PolarHBondContact O-N 3.03Å; M94-S97 PolarHBondContact O-N 3.4Å; M94-I98 HydrophobicContact CG-CD1 3.89Å; M94-I98 VanDerWaalsContact O-CG1 3.3Å; M94-I98 WeakPolarHBondContact O-CG1 3.43Å; M94-I98 PolarHBondContact O-N 3.47Å; M94-I98 HydrophobicContact SD-CD1 4.11Å; M94-I98 HydrophobicContact SD-CG1 4.31Å; M94-I205 HydrophobicContact CE-CG2 4.07Å; M94-I205 HydrophobicContact CG-CG2 3.92Å; M94-I205 HydrophobicContact SD-CD1 4.47Å; M94-I205 HydrophobicContact SD-CG2 3.88Å; M94-F209 HydrophobicContact CB-CE2 4.08Å; M94-F209 HydrophobicContact CB-CZ 4.18Å; M94-F209 HydrophobicContact CE-CE2 4.12Å; M94-F209 HydrophobicContact CE-CZ 4.42Å; M94-F209 HydrophobicContact CG-CE2 3.89Å; M94-F209 HydrophobicContact CG-CZ 4.46Å; M94-L305 HydrophobicContact CG-CD1 4.29Å |
| 95 | I | 94.2 | Very high | 86.3 | Confident | 13 Ų | 13 | 65.6 Ų | 65.6 | 7% | 0.067 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 175.7 | -69.3 | 162.3 | 0 | 0 | 0 | 110.6 | V91 R92 S97 I98 T99 L302 L305 Q306 Q309 | V91-I95 HydrophobicContact CG1-CD1 3.96Å; V91-I95 WeakPolarHBondContact O-CG1 3.3Å; V91-I95 PolarHBondContact O-N 3.46Å; R92-I95 WeakPolarHBondContact O-CB 3.32Å; R92-I95 PolarHBondContact O-N 3Å; I95-S97 PolarHBondContact O-N 2.92Å; I95-I98 PolarHBondContact O-N 3.12Å; I95-T99 HydrophobicContact CG2-CG2 4.38Å; I95-T99 WeakPolarHBondContact O-CB 3.49Å; I95-T99 VanDerWaalsContact O-CG2 3.31Å; I95-T99 WeakPolarHBondContact O-CG2 3.42Å; I95-T99 PolarHBondContact O-N 3.42Å; I95-T99 PolarHBondContact O-OG1 2.91Å; I95-L302 HydrophobicContact CG2-CD1 4.08Å; I95-L305 HydrophobicContact CD1-CB 4.09Å; I95-L305 HydrophobicContact CG1-CB 3.87Å; I95-L305 HydrophobicContact CG1-CD1 4.22Å; I95-Q306 HydrophobicContact CD1-CG 3.87Å; I95-Q309 HydrophobicContact CD1-CB 4.38Å |
| 96 | E | 93.9 | Very high | 83.9 | Confident | 94 Ų | 94 | 70.6 Ų | 70.6 | 44% | 0.439 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 177.2 | -72.3 | 173.5 | -174.8 | 0 | 0 | 111.1 | R92 S93 M94 T99 S100 | R92-E96 IonicContact CZ-OE1 3.48Å; R92-E96 IonicContact NE-OE1 3.91Å; R92-E96 PolarHBondContact NE-OE1 3.16Å; R92-E96 IonicContact NH2-OE1 3.78Å; R92-E96 PolarHBondContact NH2-OE1 3.12Å; R92-E96 WeakPolarHBondContact O-CG 3.41Å; R92-E96 PolarHBondContact O-N 2.93Å; S93-E96 PolarHBondContact O-N 3.3Å; M94-E96 VanDerWaalsContact C-N 3.34Å; M94-E96 PolarHBondContact O-N 3.03Å; E96-T99 WeakPolarHBondContact CA-OG1 3.36Å; E96-T99 PolarHBondContact O-N 3.17Å; E96-T99 PolarHBondContact O-OG1 3.34Å; E96-S100 WeakPolarHBondContact O-CB 3.37Å; E96-S100 PolarHBondContact O-N 2.88Å; E96-S100 PolarHBondContact O-OG 2.88Å |
| 97 | S | 91.6 | Very high | 81.6 | Confident | 73 Ų | 73 | 70.2 Ų | 70.2 | 51% | 0.51 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 175.3 | -175.1 | 0 | 0 | 0 | 0 | 112.7 | S93 M94 I95 S100 S101 | S93-S97 WeakPolarHBondContact O-CB 3.42Å; S93-S97 PolarHBondContact O-N 2.91Å; M94-S97 PolarHBondContact O-N 3.4Å; I95-S97 PolarHBondContact O-N 2.92Å; S97-S100 PolarHBondContact O-OG 3.28Å; S97-S101 PolarHBondContact O-N 3.33Å |
| 98 | I | 88.1 | Confident | 79.1 | Confident | 25 Ų | 25 | 72.5 Ų | 72.5 | 13% | 0.128 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.2 | -40 | 177.8 | -67.7 | 167.7 | 0 | 0 | 0 | 109.9 | M94 I95 I104 F202 F298 L305 | M94-I98 HydrophobicContact CG-CD1 3.89Å; M94-I98 VanDerWaalsContact O-CG1 3.3Å; M94-I98 WeakPolarHBondContact O-CG1 3.43Å; M94-I98 PolarHBondContact O-N 3.47Å; M94-I98 HydrophobicContact SD-CD1 4.11Å; M94-I98 HydrophobicContact SD-CG1 4.31Å; I95-I98 PolarHBondContact O-N 3.12Å; I98-I104 HydrophobicContact CG2-CD1 4.33Å; I98-I104 WeakPolarHBondContact O-CD1 3.39Å; I98-I104 WeakPolarHBondContact O-CG1 3.37Å; I98-F202 HydrophobicContact CD1-CD2 4.35Å; I98-F202 HydrophobicContact CD1-CE2 3.77Å; I98-F202 HydrophobicContact CD1-CZ 3.84Å; I98-F202 HydrophobicContact CG2-CE1 4.12Å; I98-F202 HydrophobicContact CG2-CZ 4.22Å; I98-F298 HydrophobicContact CG2-CZ 4.08Å; I98-L305 HydrophobicContact CD1-CD1 3.81Å |
| 99 | T | 86.9 | Confident | 76.8 | Confident | 64 Ų | 64 | 76.6 Ų | 76.6 | 39% | 0.393 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -82.5 | -27.8 | -175 | 55 | 0 | 0 | 0 | 0 | 115.6 | I95 E96 S101 I104 L302 | I95-T99 HydrophobicContact CG2-CG2 4.38Å; I95-T99 WeakPolarHBondContact O-CB 3.49Å; I95-T99 VanDerWaalsContact O-CG2 3.31Å; I95-T99 WeakPolarHBondContact O-CG2 3.42Å; I95-T99 PolarHBondContact O-N 3.42Å; I95-T99 PolarHBondContact O-OG1 2.91Å; E96-T99 WeakPolarHBondContact CA-OG1 3.36Å; E96-T99 PolarHBondContact O-N 3.17Å; E96-T99 PolarHBondContact O-OG1 3.34Å; T99-S101 VanDerWaalsContact C-N 3.3Å; T99-I104 VanDerWaalsContact CA-CD1 3.47Å; T99-I104 HydrophobicContact CG2-CD1 3.81Å; T99-L302 HydrophobicContact CG2-CD1 3.91Å; T99-L302 HydrophobicContact CG2-CD2 3.92Å |
| 100 | S | 85.7 | Confident | 74.3 | Confident | 94 Ų | 94 | 74.7 Ų | 74.7 | 66% | 0.657 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -77.7 | -17.7 | 172 | 57.9 | 0 | 0 | 0 | 0 | 113.2 | E96 S97 | E96-S100 WeakPolarHBondContact O-CB 3.37Å; E96-S100 PolarHBondContact O-N 2.88Å; E96-S100 PolarHBondContact O-OG 2.88Å; S97-S100 PolarHBondContact O-OG 3.28Å |
| 101 | S | 75.5 | Confident | 71.9 | Confident | 34 Ų | 34 | 73.9 Ų | 73.9 | 24% | 0.238 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -68.7 | 130.4 | 177.2 | -173.1 | 0 | 0 | 0 | 0 | 110.2 | S97 T99 I103 I104 | S97-S101 PolarHBondContact O-N 3.33Å; T99-S101 VanDerWaalsContact C-N 3.3Å; S101-I103 PolarHBondContact O-N 2.91Å; S101-I103 VanDerWaalsContact OG-CD1 3.24Å; S101-I103 WeakPolarHBondContact OG-CD1 3.45Å; S101-I103 WeakPolarHBondContact OG-CG1 3.33Å; S101-I104 PolarHBondContact O-N 2.92Å; S101-I104 VanDerWaalsContact O-N 3.1Å |
| 102 | P | 63 | Low | 69.4 | Low | 91 Ų | 91 | 75 Ų | 75 | 59% | 0.591 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -6.4 | 175.4 | 25.1 | -33.1 | 0 | 0 | 0 | 113 | I104 E105 Q106 | P102-I104 PolarHBondContact O-N 2.96Å; P102-E105 PolarHBondContact O-N 2.69Å; P102-Q106 PolarHBondContact O-N 3.26Å; P102-Q106 VanDerWaalsContact O-N 3.14Å |
| 103 | I | 56.1 | Low | 67 | Low | 87 Ų | 87 | 74.4 Ų | 74.4 | 45% | 0.446 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -28 | 169.6 | -61.7 | 171.9 | 0 | 0 | 0 | 111.8 | S101 Q106 V107 | S101-I103 PolarHBondContact O-N 2.91Å; S101-I103 VanDerWaalsContact OG-CD1 3.24Å; S101-I103 WeakPolarHBondContact OG-CD1 3.45Å; S101-I103 WeakPolarHBondContact OG-CG1 3.33Å; I103-Q106 CarbonylContact O-C 3.44Å; I103-Q106 PolarHBondContact O-N 3.35Å; I103-V107 WeakPolarHBondContact O-CA 3.49Å; I103-V107 WeakPolarHBondContact O-CG2 3.39Å; I103-V107 PolarHBondContact O-N 3.29Å |
| 104 | I | 53.5 | Low | 64.6 | Low | 62 Ų | 62 | 77.4 Ų | 77.4 | 32% | 0.318 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -36.7 | 178.9 | -60.4 | -155.9 | 0 | 0 | 0 | 112.5 | I98 T99 S101 P102 Q106 F298 | I98-I104 HydrophobicContact CG2-CD1 4.33Å; I98-I104 WeakPolarHBondContact O-CD1 3.39Å; I98-I104 WeakPolarHBondContact O-CG1 3.37Å; T99-I104 VanDerWaalsContact CA-CD1 3.47Å; T99-I104 HydrophobicContact CG2-CD1 3.81Å; S101-I104 PolarHBondContact O-N 2.92Å; S101-I104 VanDerWaalsContact O-N 3.1Å; P102-I104 PolarHBondContact O-N 2.96Å; I104-Q106 VanDerWaalsContact C-N 3.28Å; I104-F298 HydrophobicContact CD1-CE1 3.86Å; I104-F298 HydrophobicContact CD1-CZ 3.93Å; I104-F298 HydrophobicContact CG1-CE1 4.03Å; I104-F298 HydrophobicContact CG1-CZ 3.86Å |
| 105 | E | 49.9 | Very low | 62.5 | Low | 187 Ų | 187 | 77.9 Ų | 77.9 | 87% | 0.874 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -20.7 | 174.7 | -70.4 | -169.8 | 163.1 | 0 | 0 | 112.1 | P102 | P102-E105 PolarHBondContact O-N 2.69Š|
| 106 | Q | 48 | Very low | 60.3 | Low | 146 Ų | 146 | 83.2 Ų | 83.2 | 68% | 0.682 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.4 | 37.8 | -177.9 | -57.5 | -173.2 | 7.2 | 0 | 0 | 112.9 | P102 I103 I104 P108 | P102-Q106 PolarHBondContact O-N 3.26Å; P102-Q106 VanDerWaalsContact O-N 3.14Å; I103-Q106 CarbonylContact O-C 3.44Å; I103-Q106 PolarHBondContact O-N 3.35Å; I104-Q106 VanDerWaalsContact C-N 3.28Å; Q106-P108 VanDerWaalsContact O-CA 3.31Å; Q106-P108 WeakPolarHBondContact O-CA 3.46Å; Q106-P108 WeakPolarHBondContact O-CD 3.39Å; Q106-P108 VanDerWaalsContact O-CG 3.26Å; Q106-P108 WeakPolarHBondContact O-CG 3.44Å |
| 107 | V | 49.8 | Very low | 58.2 | Low | 42 Ų | 42 | 79.4 Ų | 79.4 | 26% | 0.255 | 45% | 0.449 | S | S | . | . | trans | -52.4 | 109.9 | 176.1 | 176.2 | 0 | 0 | 0 | 0 | 104.5 | I103 M109 | I103-V107 WeakPolarHBondContact O-CA 3.49Å; I103-V107 WeakPolarHBondContact O-CG2 3.39Å; I103-V107 PolarHBondContact O-N 3.29Å; V107-M109 PolarHBondContact O-N 3.39Å | ||
| 108 | P | 45.2 | Very low | 56 | Low | 53 Ų | 53 | 78.1 Ų | 78.1 | 34% | 0.344 | 44% | 0.439 | S | S | . | . | trans | -74.2 | 89.1 | -158.1 | -12.1 | 24.7 | 0 | 0 | 0 | 107.5 | Q106 S110 A111 | Q106-P108 VanDerWaalsContact O-CA 3.31Å; Q106-P108 WeakPolarHBondContact O-CA 3.46Å; Q106-P108 WeakPolarHBondContact O-CD 3.39Å; Q106-P108 VanDerWaalsContact O-CG 3.26Å; Q106-P108 WeakPolarHBondContact O-CG 3.44Å; P108-S110 WeakPolarHBondContact CB-OG 3.44Å; P108-S110 PolarHBondContact O-N 3.24Å; P108-A111 PolarHBondContact O-N 3.01Å | ||
| 109 | M | 48.8 | Very low | 53.9 | Low | 94 Ų | 94 | 85.2 Ų | 85.2 | 46% | 0.463 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -5.9 | 160.7 | -70.6 | -110.7 | -64.4 | 0 | 0 | 110.8 | V107 A111 M112 K291 | V107-M109 PolarHBondContact O-N 3.39Å; M109-A111 VanDerWaalsContact C-N 3.29Å; M109-A111 PolarHBondContact O-N 3.22Å; M109-M112 PolarHBondContact O-N 3.47Å; M109-K291 HydrophobicContact CE-CB 4.02Å; M109-K291 HydrophobicContact CE-CD 3.52Å; M109-K291 HydrophobicContact CE-CG 3.96Å; M109-K291 HydrophobicContact SD-CB 3.56Å; M109-K291 VanDerWaalsContact SD-CB 3.56Å; M109-K291 HydrophobicContact SD-CD 3.81Å; M109-K291 HydrophobicContact SD-CG 3.54Å; M109-K291 VanDerWaalsContact SD-CG 3.54Å |
| 110 | S | 44.9 | Very low | 51.8 | Low | 74 Ų | 74 | 91.5 Ų | 91.5 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.5 | -27.2 | 173.6 | 55 | 0 | 0 | 0 | 0 | 113.2 | P108 M112 N113 | P108-S110 WeakPolarHBondContact CB-OG 3.44Å; P108-S110 PolarHBondContact O-N 3.24Å; S110-M112 VanDerWaalsContact C-N 3.3Å; S110-M112 PolarHBondContact O-N 3.27Å; S110-N113 PolarHBondContact O-N 3.07Å |
| 111 | A | 48 | Very low | 49.6 | Very low | 66 Ų | 66 | 92.1 Ų | 92.1 | 55% | 0.545 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.2 | -27.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P108 M109 Q115 | P108-A111 PolarHBondContact O-N 3.01Å; M109-A111 VanDerWaalsContact C-N 3.29Å; M109-A111 PolarHBondContact O-N 3.22Å; A111-Q115 WeakPolarHBondContact O-CG 3.44Å |
| 112 | M | 45.5 | Very low | 48.1 | Very low | 24 Ų | 24 | 96.5 Ų | 96.5 | 12% | 0.118 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -95.6 | -13.5 | 177.7 | -79.3 | -149.1 | 117.9 | 0 | 0 | 114.6 | M109 S110 I193 W287 L290 | M109-M112 PolarHBondContact O-N 3.47Å; S110-M112 VanDerWaalsContact C-N 3.3Å; S110-M112 PolarHBondContact O-N 3.27Å; M112-I193 HydrophobicContact CE-CG2 4.07Å; M112-W287 HydrophobicContact CE-CE3 4.34Å; M112-W287 HydrophobicContact CE-CH2 4.47Å; M112-W287 HydrophobicContact CE-CZ3 3.6Å; M112-W287 HydrophobicContact SD-CE3 4.38Å; M112-W287 HydrophobicContact SD-CZ3 4.11Å; M112-L290 HydrophobicContact CE-CD2 3.3Å; M112-L290 HydrophobicContact CE-CG 4.28Å; M112-L290 HydrophobicContact SD-CD2 3.51Å; M112-L290 VanDerWaalsContact SD-CD2 3.51Å; M112-L290 HydrophobicContact SD-CG 3.89Å |
| 113 | N | 46.7 | Very low | 47.1 | Very low | 109 Ų | 109 | 94.9 Ų | 94.9 | 58% | 0.583 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -76 | -25.4 | -178.5 | -95.3 | -6.5 | 0 | 0 | 0 | 113.2 | S110 K291 | S110-N113 PolarHBondContact O-N 3.07Å; N113-K291 PolarHBondContact OD1-NZ 3.4Å |
| 114 | D | 47.2 | Very low | 46.4 | Very low | 137 Ų | 137 | 97 Ų | 97 | 73% | 0.733 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -116.5 | 0.5 | -175 | -66.2 | -31 | 0 | 0 | 0 | 114.6 | I116 | D114-I116 PolarHBondContact O-N 3.15Š|
| 115 | Q | 50.6 | Low | 45.4 | Very low | 66 Ų | 66 | 100 Ų | 100 | 31% | 0.308 | 50% | 0.504 | S | S | . | . | trans | -64.7 | 115.6 | 174.2 | -90.7 | 180 | -7.6 | 0 | 0 | 109.4 | A111 I117 | A111-Q115 WeakPolarHBondContact O-CG 3.44Å; Q115-I117 HydrophobicContact CB-CB 4.44Å; Q115-I117 HydrophobicContact CB-CD1 3.59Å; Q115-I117 HydrophobicContact CB-CG1 3.8Å; Q115-I117 HydrophobicContact CG-CD1 4.1Å; Q115-I117 HydrophobicContact CG-CG1 4.5Å; Q115-I117 PolarHBondContact O-N 3.15Å | ||
| 116 | I | 46.5 | Very low | 45.2 | Very low | 125 Ų | 125 | 95.3 Ų | 95.3 | 64% | 0.641 | 48% | 0.484 | S | S | * | . | trans | -67.5 | 41.7 | 175.2 | -56.6 | 163.7 | 0 | 0 | 0 | 110.4 | D114 C118 K119 | D114-I116 PolarHBondContact O-N 3.15Å; I116-C118 PolarHBondContact O-N 2.99Å; I116-K119 HydrophobicContact CG2-CB 3.91Å; I116-K119 HydrophobicContact CG2-CD 3.55Å; I116-K119 HydrophobicContact CG2-CG 3.73Å | ||
| 117 | I | 50.8 | Low | 44.7 | Very low | 15 Ų | 15 | 93.3 Ų | 93.3 | 8% | 0.077 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -38.6 | -168.2 | -89.5 | 171.5 | 0 | 0 | 0 | 109.8 | Q115 Y189 I193 W287 | Q115-I117 HydrophobicContact CB-CB 4.44Å; Q115-I117 HydrophobicContact CB-CD1 3.59Å; Q115-I117 HydrophobicContact CB-CG1 3.8Å; Q115-I117 HydrophobicContact CG-CD1 4.1Å; Q115-I117 HydrophobicContact CG-CG1 4.5Å; Q115-I117 PolarHBondContact O-N 3.15Å; I117-Y189 VanDerWaalsContact C-OH 3.27Å; I117-Y189 WeakPolarHBondContact CA-OH 3.35Å; I117-Y189 WeakPolarHBondContact CB-OH 3.48Å; I117-Y189 HydrophobicContact CG2-CE2 3.83Å; I117-Y189 WeakPolarHBondContact CG2-OH 3.33Å; I117-Y189 WeakPolarHBondContact O-CE2 3.45Å; I117-Y189 VanDerWaalsContact O-CZ 3.24Å; I117-Y189 PolarHBondContact O-OH 3.2Å; I117-I193 HydrophobicContact CD1-CB 4.26Å; I117-I193 HydrophobicContact CD1-CD1 4.39Å; I117-I193 HydrophobicContact CD1-CG1 3.98Å; I117-I193 HydrophobicContact CD1-CG2 4.04Å; I117-I193 HydrophobicContact CG1-CG1 4.47Å; I117-I193 HydrophobicContact CG2-CD1 3.62Å; I117-I193 HydrophobicContact CG2-CG1 3.88Å; I117-W287 HydrophobicContact CB-CH2 4.49Å; I117-W287 HydrophobicContact CG2-CH2 4.03Å; I117-W287 HydrophobicContact CG2-CZ2 4.4Å |
| 118 | C | 45.7 | Very low | 44.5 | Very low | 46 Ų | 46 | 94.4 Ų | 94.4 | 31% | 0.311 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 15.3 | -170.5 | -69.2 | 0 | 0 | 0 | 0 | 116.6 | I116 R120 P281 | I116-C118 PolarHBondContact O-N 2.99Å; C118-R120 VanDerWaalsContact C-N 3.3Å; C118-R120 PolarHBondContact O-N 2.9Å; C118-P281 HydrophobicContact CB-CB 3.85Å; C118-P281 WeakPolarHBondContact SG-CB 3.28Å |
| 119 | K | 43.9 | Very low | 44.3 | Very low | 173 Ų | 173 | 96.4 Ų | 96.4 | 75% | 0.752 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -77.7 | -8.9 | -179.8 | -74.4 | -166.8 | -170.4 | 175.9 | 0 | 114.9 | I116 | I116-K119 HydrophobicContact CG2-CB 3.91Å; I116-K119 HydrophobicContact CG2-CD 3.55Å; I116-K119 HydrophobicContact CG2-CG 3.73Å |
| 120 | R | 41.7 | Very low | 44.1 | Very low | 196 Ų | 196 | 96.9 Ų | 96.9 | 74% | 0.74 | 50% | 0.501 | S | S | * | . | trans | -119.6 | 61.8 | 179.3 | -68.9 | -175 | 178.4 | 172.5 | 0.3 | 111.9 | C118 K122 | C118-R120 VanDerWaalsContact C-N 3.3Å; C118-R120 PolarHBondContact O-N 2.9Å; R120-K122 PolarHBondContact O-N 3.18Å | ||
| 121 | F | 40.8 | Very low | 44 | Very low | 108 Ų | 108 | 98.5 Ų | 98.5 | 47% | 0.474 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 101.9 | 158.7 | -167.4 | -94.9 | 0 | 0 | 0 | 107.7 | A123 G187 P281 | F121-A123 HydrophobicContact CD1-CB 4.44Å; F121-A123 HydrophobicContact CE1-CB 3.99Å; F121-G187 VanDerWaalsContact CZ-CA 3.45Å; F121-P281 HydrophobicContact CD2-CG 4.44Å |
| 122 | K | 42.6 | Very low | 43.7 | Very low | 126 Ų | 126 | 97.9 Ų | 97.9 | 55% | 0.548 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 109.3 | 164.7 | -80.2 | -171 | 176.3 | -174.7 | 0 | 107.2 | R120 W124 S188 | R120-K122 PolarHBondContact O-N 3.18Å; K122-W124 HydrophobicContact CD-CZ2 4.21Å; K122-W124 PolarHBondContact O-N 3.41Å; K122-S188 PolarHBondContact O-N 3.39Å |
| 123 | A | 42.4 | Very low | 43.8 | Very low | 56 Ų | 56 | 107.9 Ų | 107.9 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 115.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | F121 | F121-A123 HydrophobicContact CD1-CB 4.44Å; F121-A123 HydrophobicContact CE1-CB 3.99Å |
| 124 | W | 41.2 | Very low | 44 | Very low | 132 Ų | 132 | 111.1 Ų | 111.1 | 50% | 0.5 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 129.9 | 167.3 | -61.4 | 91.4 | 0 | 0 | 0 | 108 | K122 I126 V186 | K122-W124 HydrophobicContact CD-CZ2 4.21Å; K122-W124 PolarHBondContact O-N 3.41Å; W124-I126 PolarHBondContact O-N 2.88Å; W124-V186 PolarHBondContact N-O 2.94Å; W124-V186 PolarHBondContact O-N 2.99Å |
| 125 | L | 32.3 | Very low | 44 | Very low | 125 Ų | 125 | 110.6 Ų | 110.6 | 65% | 0.654 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 104.7 | 171.2 | -67.7 | 163.9 | 0 | 0 | 0 | 106.8 | T183 | L125-T183 HydrophobicContact CB-CG2 4.26Å; L125-T183 HydrophobicContact CD2-CG2 3.64Å; L125-T183 HydrophobicContact CG-CG2 4.34Å |
| 126 | I | 46.5 | Very low | 43.9 | Very low | 89 Ų | 89 | 113.1 Ų | 113.1 | 46% | 0.456 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.1 | 124.3 | 169.6 | -53.4 | -172.8 | 0 | 0 | 0 | 107.6 | W124 V128 I184 V186 | W124-I126 PolarHBondContact O-N 2.88Å; I126-V128 PolarHBondContact O-N 3.22Å; I126-I184 PolarHBondContact N-O 3.41Å; I126-I184 PolarHBondContact O-N 2.99Å; I126-V186 HydrophobicContact CB-CG2 4.31Å; I126-V186 HydrophobicContact CD1-CB 4.15Å; I126-V186 HydrophobicContact CD1-CG2 3.57Å; I126-V186 HydrophobicContact CG1-CB 4.39Å; I126-V186 HydrophobicContact CG1-CG2 3.77Å |
| 127 | L | 38.4 | Very low | 43.7 | Very low | 103 Ų | 103 | 111.7 Ų | 111.7 | 54% | 0.539 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76 | 104.1 | 168.7 | -92.7 | 147.9 | 0 | 0 | 0 | 107.9 | F179 | L127-F179 HydrophobicContact CD2-CB 4.12Å |
| 128 | V | 44.2 | Very low | 43.3 | Very low | 66 Ų | 66 | 119.2 Ų | 119.2 | 40% | 0.4 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.2 | 123.4 | 169.4 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | I126 L130 I184 | I126-V128 PolarHBondContact O-N 3.22Å; V128-L130 PolarHBondContact O-N 3.28Å; V128-L130 VanDerWaalsContact O-N 3.16Å; V128-I184 HydrophobicContact CB-CD1 4.43Å; V128-I184 HydrophobicContact CG2-CD1 3.64Å; V128-I184 HydrophobicContact CG2-CG1 4.24Å |
| 129 | P | 41.4 | Very low | 43.2 | Very low | 94 Ų | 94 | 121.7 Ų | 121.7 | 61% | 0.61 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 118.6 | 174.4 | 24 | -29.9 | 0 | 0 | 0 | 109 | ||
| 130 | L | 44.7 | Very low | 43 | Very low | 105 Ų | 105 | 121.9 Ų | 121.9 | 55% | 0.55 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 133.2 | 167.5 | -73.9 | 168 | 0 | 0 | 0 | 107.7 | V128 S132 | V128-L130 PolarHBondContact O-N 3.28Å; V128-L130 VanDerWaalsContact O-N 3.16Å; L130-S132 PolarHBondContact O-N 3.32Å; L130-S132 VanDerWaalsContact O-N 3.14Å |
| 131 | P | 41.9 | Very low | 43 | Very low | 107 Ų | 107 | 117.3 Ų | 117.3 | 70% | 0.695 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 125.8 | 171.9 | 23 | -30.5 | 0 | 0 | 0 | 107.8 | R133 | P131-R133 PolarHBondContact O-N 3.42Š|
| 132 | S | 43.1 | Very low | 43 | Very low | 54 Ų | 54 | 119.3 Ų | 119.3 | 38% | 0.378 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 136.3 | -179.2 | 104.3 | 0 | 0 | 0 | 0 | 107.8 | L130 K134 D135 | L130-S132 PolarHBondContact O-N 3.32Å; L130-S132 VanDerWaalsContact O-N 3.14Å; S132-K134 PolarHBondContact O-N 3.32Å; S132-K134 WeakPolarHBondContact OG-CB 3.3Å; S132-K134 PolarHBondContact OG-N 2.65Å; S132-D135 WeakPolarHBondContact CB-OD2 3.35Å; S132-D135 PolarHBondContact O-N 3.46Å; S132-D135 PolarHBondContact OG-OD2 2.87Å |
| 133 | R | 47.6 | Very low | 42.9 | Very low | 234 Ų | 234 | 118.4 Ų | 118.4 | 88% | 0.883 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -7.7 | 173.3 | -101.7 | -174.9 | 178.5 | -174.6 | -0.5 | 113.1 | P131 | P131-R133 PolarHBondContact O-N 3.42Š|
| 134 | K | 50.5 | Low | 42.6 | Very low | 176 Ų | 176 | 121.4 Ų | 121.4 | 77% | 0.765 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -15.8 | 176.3 | -70.5 | -175.4 | 172.9 | -175.9 | 0 | 113.7 | S132 | S132-K134 PolarHBondContact O-N 3.32Å; S132-K134 WeakPolarHBondContact OG-CB 3.3Å; S132-K134 PolarHBondContact OG-N 2.65Å |
| 135 | D | 47.3 | Very low | 42.5 | Very low | 127 Ų | 127 | 121.5 Ų | 121.5 | 68% | 0.679 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -4.4 | -178.4 | -56.4 | -54.8 | 0 | 0 | 0 | 113.4 | S132 | S132-D135 WeakPolarHBondContact CB-OD2 3.35Å; S132-D135 PolarHBondContact O-N 3.46Å; S132-D135 PolarHBondContact OG-OD2 2.87Å |
| 136 | V | 47.6 | Very low | 43 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 72% | 0.721 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 11.8 | 178.5 | -163.7 | 0 | 0 | 0 | 0 | 111.3 | ||
| 137 | S | 43.3 | Very low | 42.7 | Very low | 95 Ų | 95 | 122.6 Ų | 122.6 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -133.2 | 19.8 | -171.9 | -50.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 138 | Q | 43.1 | Very low | 42.9 | Very low | 173 Ų | 173 | 122.6 Ų | 122.6 | 81% | 0.808 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -116.6 | 104.8 | 170.9 | -78.3 | -173.7 | -15.3 | 0 | 0 | 112.1 | ||
| 139 | S | 42.9 | Very low | 42.6 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | trans | 63.9 | 88.8 | 141.2 | 57.9 | 0 | 0 | 0 | 0 | 118.9 | S141 | S139-S141 PolarHBondContact O-N 3.5Š| ||
| 140 | N | 40.1 | Very low | 43.2 | Very low | 177 Ų | 177 | 128.7 Ų | 128.7 | 95% | 0.947 | 75% | 0.748 | S | S | * | * | -53.6 | 102 | 129.6 | -75.4 | -27.2 | 0 | 0 | 0 | 109.3 | |||||
| 141 | S | 41.7 | Very low | 43.3 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | trans | -154.3 | 114 | 156.4 | 57.7 | 0 | 0 | 0 | 0 | 110.6 | S139 | S139-S141 PolarHBondContact O-N 3.5Š| ||
| 142 | V | 41 | Very low | 43.5 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | -51.1 | 126.8 | 169.1 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 143 | S | 39.3 | Very low | 44.1 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -171.2 | 120.9 | 139.8 | -144 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 144 | T | 36.1 | Very low | 44.1 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | trans | 6.9 | 124 | 151.9 | 23.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 145 | V | 39.7 | Very low | 44.5 | Very low | 134 Ų | 134 | 125 Ų | 125 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | 41.2 | 113.4 | 128 | -171.2 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 146 | A | 42.3 | Very low | 44.8 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | -158.3 | 124.6 | 134.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 147 | T | 40.2 | Very low | 45.2 | Very low | 136 Ų | 136 | 124 Ų | 124 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | trans | -76 | 128.7 | 173.4 | 39.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 148 | S | 42.7 | Very low | 45.9 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | trans | -171.4 | 110 | 145.2 | 59.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 149 | D | 38.8 | Very low | 46.5 | Very low | 152 Ų | 152 | 118.4 Ų | 118.4 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | 77.8 | 133.5 | 99.8 | -75.6 | -32.5 | 0 | 0 | 0 | 115 | |||||
| 150 | V | 53.5 | Low | 47.2 | Very low | 136 Ų | 136 | 118.5 Ų | 118.5 | 82% | 0.824 | 70% | 0.695 | S | S | * | * | trans | 95 | 133.4 | 157 | -162.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 151 | P | 46.4 | Very low | 47.9 | Very low | 95 Ų | 95 | 116.6 Ų | 116.6 | 62% | 0.617 | 68% | 0.681 | S | S | * | * | cis | -132.3 | 158.1 | -43 | 35.4 | -16.5 | 0 | 0 | 0 | 113 | K153 | P151-K153 PolarHBondContact O-N 3.24Š| ||
| 152 | D | 46.3 | Very low | 48.2 | Very low | 170 Ų | 170 | 118 Ų | 118 | 91% | 0.909 | 68% | 0.68 | S | S | * | * | trans | -60.3 | 101.5 | 166.8 | -88.7 | -36.4 | 0 | 0 | 0 | 110.3 | N154 | D152-N154 PolarHBondContact O-N 3.37Š| ||
| 153 | K | 55.2 | Low | 48.8 | Very low | 136 Ų | 136 | 116.2 Ų | 116.2 | 59% | 0.591 | 67% | 0.665 | S | S | * | * | trans | -73.9 | 111.4 | 164.6 | -75 | -167.1 | 174.2 | -167.3 | 0 | 108.1 | P151 | P151-K153 PolarHBondContact O-N 3.24Š| ||
| 154 | N | 47.4 | Very low | 49.5 | Very low | 97 Ų | 97 | 119.5 Ų | 119.5 | 52% | 0.519 | 67% | 0.668 | S | S | . | * | trans | -56.2 | 135.6 | 176.2 | -175.6 | 2.4 | 0 | 0 | 0 | 109.6 | D152 D156 E157 | D152-N154 PolarHBondContact O-N 3.37Å; N154-D156 PolarHBondContact ND2-OD2 2.88Å; N154-D156 PolarHBondContact O-N 3.47Å; N154-E157 WeakPolarHBondContact O-CB 3.44Å; N154-E157 PolarHBondContact O-N 3.5Å | ||
| 155 | V | 58.7 | Low | 50.2 | Low | 99 Ų | 99 | 120.8 Ų | 120.8 | 60% | 0.6 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -53.4 | -27.6 | -178.2 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | E157 I158 V159 | V155-E157 PolarHBondContact O-N 3.39Å; V155-I158 PolarHBondContact O-N 2.84Å; V155-V159 HydrophobicContact CG1-CG2 4.35Å; V155-V159 WeakPolarHBondContact O-CG2 3.29Å; V155-V159 PolarHBondContact O-N 3.49Å |
| 156 | D | 53.9 | Low | 50.6 | Low | 102 Ų | 102 | 121 Ų | 121 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -67.6 | -28.5 | 177 | -62.9 | -36.7 | 0 | 0 | 0 | 113.9 | N154 N160 | N154-D156 PolarHBondContact ND2-OD2 2.88Å; N154-D156 PolarHBondContact O-N 3.47Å; D156-N160 WeakPolarHBondContact O-CB 3.33Å; D156-N160 PolarHBondContact O-N 3.17Å; D156-N160 VanDerWaalsContact O-N 3.08Å; D156-N160 PolarHBondContact O-ND2 2.82Å |
| 157 | E | 57.1 | Low | 50.9 | Low | 123 Ų | 123 | 124 Ų | 124 | 58% | 0.575 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -72.2 | -38.2 | 173.9 | -113 | 175.6 | -172.5 | 0 | 0 | 111.1 | N154 V155 V159 N160 E161 | N154-E157 WeakPolarHBondContact O-CB 3.44Å; N154-E157 PolarHBondContact O-N 3.5Å; V155-E157 PolarHBondContact O-N 3.39Å; E157-V159 VanDerWaalsContact C-N 3.35Å; E157-N160 PolarHBondContact O-N 3.37Å; E157-E161 PolarHBondContact O-N 2.92Å |
| 158 | I | 56.6 | Low | 51.1 | Low | 85 Ų | 85 | 125.3 Ų | 125.3 | 44% | 0.436 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -68.8 | -36.1 | 177.4 | -59.9 | 172.8 | 0 | 0 | 0 | 110.7 | V155 L162 | V155-I158 PolarHBondContact O-N 2.84Å; I158-L162 HydrophobicContact CG2-CD1 4.38Å; I158-L162 WeakPolarHBondContact O-CD1 3.25Å; I158-L162 WeakPolarHBondContact O-CG 3.5Å; I158-L162 PolarHBondContact O-N 3.22Å |
| 159 | V | 55.6 | Low | 51 | Low | 67 Ų | 67 | 129.2 Ų | 129.2 | 41% | 0.406 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -72.8 | -35.7 | 177.4 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | V155 E157 L162 L163 | V155-V159 HydrophobicContact CG1-CG2 4.35Å; V155-V159 WeakPolarHBondContact O-CG2 3.29Å; V155-V159 PolarHBondContact O-N 3.49Å; E157-V159 VanDerWaalsContact C-N 3.35Å; V159-L162 PolarHBondContact O-N 3.24Å; V159-L163 HydrophobicContact CG1-CD1 3.85Å; V159-L163 WeakPolarHBondContact O-CD1 3.2Å; V159-L163 PolarHBondContact O-N 2.87Å |
| 160 | N | 58.5 | Low | 51.1 | Low | 98 Ų | 98 | 127.5 Ų | 127.5 | 52% | 0.524 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -71.8 | -35.7 | 174.8 | -74.7 | -26.1 | 0 | 0 | 0 | 112.7 | D156 E157 L162 L163 E164 | D156-N160 WeakPolarHBondContact O-CB 3.33Å; D156-N160 PolarHBondContact O-N 3.17Å; D156-N160 VanDerWaalsContact O-N 3.08Å; D156-N160 PolarHBondContact O-ND2 2.82Å; E157-N160 PolarHBondContact O-N 3.37Å; N160-L162 PolarHBondContact O-N 3.46Å; N160-L163 PolarHBondContact O-N 3.29Å; N160-L163 VanDerWaalsContact O-N 3.16Å; N160-E164 PolarHBondContact O-N 3.01Å |
| 161 | E | 54.1 | Low | 50.4 | Low | 138 Ų | 138 | 129.6 Ų | 129.6 | 65% | 0.645 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -64.5 | -26.8 | 174 | -130.1 | 173.9 | -169.8 | 0 | 0 | 112.5 | E157 | E157-E161 PolarHBondContact O-N 2.92Å |
| 162 | L | 49.3 | Very low | 50.1 | Low | 128 Ų | 128 | 131.6 Ų | 131.6 | 67% | 0.67 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -84.7 | -19.3 | 175.5 | -73.5 | 167.2 | 0 | 0 | 0 | 113.7 | I158 V159 N160 | I158-L162 HydrophobicContact CG2-CD1 4.38Å; I158-L162 WeakPolarHBondContact O-CD1 3.25Å; I158-L162 WeakPolarHBondContact O-CG 3.5Å; I158-L162 PolarHBondContact O-N 3.22Å; V159-L162 PolarHBondContact O-N 3.24Å; N160-L162 PolarHBondContact O-N 3.46Å |
| 163 | L | 53.4 | Low | 49.7 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 60% | 0.597 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -91.9 | -20.2 | -178.3 | -97.2 | 145.9 | 0 | 0 | 0 | 113.6 | V159 N160 | V159-L163 HydrophobicContact CG1-CD1 3.85Å; V159-L163 WeakPolarHBondContact O-CD1 3.2Å; V159-L163 PolarHBondContact O-N 2.87Å; N160-L163 PolarHBondContact O-N 3.29Å; N160-L163 VanDerWaalsContact O-N 3.16Å |
| 164 | E | 54.5 | Low | 49 | Very low | 176 Ų | 176 | 128.4 Ų | 128.4 | 82% | 0.822 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -7.9 | 177.4 | -68.9 | -166.1 | 168.7 | 0 | 0 | 114.3 | N160 | N160-E164 PolarHBondContact O-N 3.01Š|
| 165 | H | 50.3 | Low | 48.5 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 68% | 0.676 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 6 | -176.6 | -108.2 | -56.8 | 0 | 0 | 0 | 115.7 | N167 | H165-N167 VanDerWaalsContact C-N 3.34Å; H165-N167 PolarHBondContact O-N 3.38Å |
| 166 | D | 47.8 | Very low | 47.6 | Very low | 138 Ų | 138 | 130 Ų | 130 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 8.5 | -168.4 | -110.5 | -0.8 | 0 | 0 | 0 | 115.7 | ||
| 167 | N | 49.1 | Very low | 47.1 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 88% | 0.882 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | 7.5 | -173 | -88.2 | -33 | 0 | 0 | 0 | 117.1 | H165 | H165-N167 VanDerWaalsContact C-N 3.34Å; H165-N167 PolarHBondContact O-N 3.38Å |
| 168 | E | 44.4 | Very low | 46.4 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -114.1 | 124 | 172.4 | -70.9 | -171.1 | 163.5 | 0 | 0 | 110.8 | ||
| 169 | E | 39.3 | Very low | 45.6 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 86% | 0.86 | 72% | 0.717 | S | S | * | * | trans | -46.7 | 134.4 | 170.2 | -80.3 | -174.7 | 146.7 | 0 | 0 | 109.7 | H171 | E169-H171 PolarHBondContact O-N 3.42Š| ||
| 170 | P | 41 | Very low | 45.1 | Very low | 116 Ų | 116 | 147.4 Ų | 147.4 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | trans | -65.4 | 104 | -176 | 25.7 | -32.2 | 0 | 0 | 0 | 109.3 | V172 | P170-V172 VanDerWaalsContact C-N 3.33Å; P170-V172 PolarHBondContact O-N 3.09Å | ||
| 171 | H | 39.3 | Very low | 44.5 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 84% | 0.838 | 72% | 0.724 | S | S | * | * | trans | -58.5 | 101.2 | 161.8 | -100.1 | -38.9 | 0 | 0 | 0 | 107.3 | E169 V173 | E169-H171 PolarHBondContact O-N 3.42Å; H171-V173 PolarHBondContact O-N 2.95Å | ||
| 172 | V | 40.6 | Very low | 43.9 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | trans | -66.4 | 80.6 | 170.9 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | P170 N174 | P170-V172 VanDerWaalsContact C-N 3.33Å; P170-V172 PolarHBondContact O-N 3.09Å; V172-N174 PolarHBondContact O-N 2.84Å | ||
| 173 | V | 38.3 | Very low | 43.6 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 68% | 0.679 | 71% | 0.71 | S | S | * | * | trans | -62.7 | 125.6 | 170.3 | 177.8 | 0 | 0 | 0 | 0 | 107 | H171 M175 | H171-V173 PolarHBondContact O-N 2.95Å; V173-M175 HydrophobicContact CG1-CG 4.49Å; V173-M175 PolarHBondContact O-N 3.29Å | ||
| 174 | N | 38.8 | Very low | 43.3 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 68% | 0.679 | 70% | 0.702 | S | S | * | * | trans | -64.6 | 67.6 | -173.5 | -159.1 | -1.7 | 0 | 0 | 0 | 112.3 | V172 A176 | V172-N174 PolarHBondContact O-N 2.84Å; N174-A176 PolarHBondContact O-N 2.88Å | ||
| 175 | M | 38.2 | Very low | 42.8 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 70% | 0.7 | 69% | 0.69 | S | S | * | * | trans | -83.8 | 6.9 | 175.1 | -72.7 | -131.7 | -106.1 | 0 | 0 | 113 | V173 Q177 | V173-M175 HydrophobicContact CG1-CG 4.49Å; V173-M175 PolarHBondContact O-N 3.29Å; M175-Q177 PolarHBondContact O-N 3.48Å; M175-Q177 VanDerWaalsContact O-N 3.1Å | ||
| 176 | A | 40 | Very low | 42.8 | Very low | 87 Ų | 87 | 129.3 Ų | 129.3 | 72% | 0.719 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -6.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115 | N174 | N174-A176 PolarHBondContact O-N 2.88Š|
| 177 | Q | 42.3 | Very low | 42.8 | Very low | 172 Ų | 172 | 124.2 Ų | 124.2 | 80% | 0.804 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 0.6 | -169.8 | -83.3 | -175.8 | -11.1 | 0 | 0 | 116.9 | M175 | M175-Q177 PolarHBondContact O-N 3.48Å; M175-Q177 VanDerWaalsContact O-N 3.1Å |
| 178 | R | 43.1 | Very low | 43 | Very low | 238 Ų | 238 | 118.6 Ų | 118.6 | 90% | 0.898 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -135.5 | 2.1 | -175.3 | -77 | -168.4 | 174.3 | -179.7 | -0 | 119 | ||
| 179 | F | 40 | Very low | 43.6 | Very low | 129 Ų | 129 | 112.6 Ų | 112.6 | 57% | 0.566 | 60% | 0.6 | S | S | * | * | trans | -104.6 | 105.1 | -177 | -70.5 | -83.6 | 0 | 0 | 0 | 113 | L127 G181 | L127-F179 HydrophobicContact CD2-CB 4.12Å; F179-G181 PolarHBondContact O-N 2.94Å; F179-G181 VanDerWaalsContact O-N 3.12Å | ||
| 180 | K | 45.5 | Very low | 44.5 | Very low | 203 Ų | 203 | 108.7 Ų | 108.7 | 88% | 0.883 | 59% | 0.585 | S | S | * | * | trans | -77.5 | 74.9 | 158 | -90.4 | -176 | 173.5 | 178.9 | 0 | 108.5 | ||||
| 181 | G | 44.4 | Very low | 45.7 | Very low | 20 Ų | 20 | 104.8 Ų | 104.8 | 21% | 0.206 | 57% | 0.567 | C | S | . | * | trans | -95.5 | 151.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | F179 T183 | F179-G181 PolarHBondContact O-N 2.94Å; F179-G181 VanDerWaalsContact O-N 3.12Å; G181-T183 PolarHBondContact O-N 3.38Å | ||
| 182 | T | 43.3 | Very low | 47.2 | Very low | 84 Ų | 84 | 101.8 Ų | 101.8 | 52% | 0.515 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.9 | 121.7 | 169.9 | -52 | 0 | 0 | 0 | 0 | 107.9 | I184 | T182-I184 PolarHBondContact O-N 3.43Å; T182-I184 VanDerWaalsContact O-N 3.16Å |
| 183 | T | 42.6 | Very low | 49 | Very low | 80 Ų | 80 | 96.5 Ų | 96.5 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 110.4 | 172.8 | 39.2 | 0 | 0 | 0 | 0 | 110.1 | L125 G181 | L125-T183 HydrophobicContact CB-CG2 4.26Å; L125-T183 HydrophobicContact CD2-CG2 3.64Å; L125-T183 HydrophobicContact CG-CG2 4.34Å; G181-T183 PolarHBondContact O-N 3.38Å |
| 184 | I | 45.7 | Very low | 51 | Low | 85 Ų | 85 | 96.6 Ų | 96.6 | 44% | 0.436 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 119.2 | 171 | -52.5 | -177.1 | 0 | 0 | 0 | 107.5 | I126 V128 T182 V186 | I126-I184 PolarHBondContact N-O 3.41Å; I126-I184 PolarHBondContact O-N 2.99Å; V128-I184 HydrophobicContact CB-CD1 4.43Å; V128-I184 HydrophobicContact CG2-CD1 3.64Å; V128-I184 HydrophobicContact CG2-CG1 4.24Å; T182-I184 PolarHBondContact O-N 3.43Å; T182-I184 VanDerWaalsContact O-N 3.16Å; I184-V186 PolarHBondContact O-N 3.3Å; I184-V186 VanDerWaalsContact O-N 3.11Å |
| 185 | P | 45 | Very low | 53.3 | Low | 88 Ų | 88 | 94 Ų | 94 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 110.2 | 172.9 | 27.3 | -31.1 | 0 | 0 | 0 | 108.8 | ||
| 186 | V | 49.4 | Very low | 55.7 | Low | 63 Ų | 63 | 88.9 Ų | 88.9 | 38% | 0.382 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 99.9 | 169.9 | -168.4 | 0 | 0 | 0 | 0 | 107.1 | W124 I126 I184 S188 | W124-V186 PolarHBondContact N-O 2.94Å; W124-V186 PolarHBondContact O-N 2.99Å; I126-V186 HydrophobicContact CB-CG2 4.31Å; I126-V186 HydrophobicContact CD1-CB 4.15Å; I126-V186 HydrophobicContact CD1-CG2 3.57Å; I126-V186 HydrophobicContact CG1-CB 4.39Å; I126-V186 HydrophobicContact CG1-CG2 3.77Å; I184-V186 PolarHBondContact O-N 3.3Å; I184-V186 VanDerWaalsContact O-N 3.11Å; V186-S188 PolarHBondContact O-N 2.98Å; V186-S188 VanDerWaalsContact O-N 3.15Å |
| 187 | G | 48.3 | Very low | 57.9 | Low | 31 Ų | 31 | 89.5 Ų | 89.5 | 32% | 0.32 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 100.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | F121 | F121-G187 VanDerWaalsContact CZ-CA 3.45Å |
| 188 | S | 53.5 | Low | 60 | Low | 47 Ų | 47 | 84.1 Ų | 84.1 | 33% | 0.329 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 116.4 | 168.9 | -175.3 | 0 | 0 | 0 | 0 | 108.8 | K122 V186 N190 | K122-S188 PolarHBondContact O-N 3.39Å; V186-S188 PolarHBondContact O-N 2.98Å; V186-S188 VanDerWaalsContact O-N 3.15Å; S188-N190 PolarHBondContact O-N 3.29Å; S188-N190 PolarHBondContact OG-OD1 2.78Å |
| 189 | Y | 56.2 | Low | 62.3 | Low | 38 Ų | 38 | 72.9 Ų | 72.9 | 15% | 0.149 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 108 | 169.3 | -177.3 | -96.8 | 0 | 0 | 0 | 108.8 | I117 G191 I193 T278 | I117-Y189 VanDerWaalsContact C-OH 3.27Å; I117-Y189 WeakPolarHBondContact CA-OH 3.35Å; I117-Y189 WeakPolarHBondContact CB-OH 3.48Å; I117-Y189 HydrophobicContact CG2-CE2 3.83Å; I117-Y189 WeakPolarHBondContact CG2-OH 3.33Å; I117-Y189 WeakPolarHBondContact O-CE2 3.45Å; I117-Y189 VanDerWaalsContact O-CZ 3.24Å; I117-Y189 PolarHBondContact O-OH 3.2Å; Y189-G191 WeakPolarHBondContact CD1-O 3.41Å; Y189-G191 WeakPolarHBondContact CE1-O 3.14Å; Y189-G191 WeakPolarHBondContact OH-CA 3.34Å; Y189-I193 HydrophobicContact CE1-CD1 4.28Å; Y189-I193 HydrophobicContact CE1-CG1 3.82Å; Y189-T278 HydrophobicContact CD1-CG2 3.6Å; Y189-T278 HydrophobicContact CD2-CG2 4.36Å; Y189-T278 HydrophobicContact CE1-CG2 4.34Å; Y189-T278 HydrophobicContact CG-CG2 3.64Å |
| 190 | N | 59.6 | Low | 64.7 | Low | 102 Ų | 102 | 70.4 Ų | 70.4 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | trans | -95.4 | 15.3 | -179.1 | -72 | 9.4 | 0 | 0 | 0 | 113.4 | S188 | S188-N190 PolarHBondContact O-N 3.29Å; S188-N190 PolarHBondContact OG-OD1 2.78Å | ||
| 191 | G | 65.2 | Low | 66.8 | Low | 35 Ų | 35 | 66 Ų | 66 | 36% | 0.361 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -95.1 | 169.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y189 | Y189-G191 WeakPolarHBondContact CD1-O 3.41Å; Y189-G191 WeakPolarHBondContact CE1-O 3.14Å; Y189-G191 WeakPolarHBondContact OH-CA 3.34Å |
| 192 | V | 71.1 | Confident | 69.1 | Low | 118 Ų | 118 | 65.4 Ų | 65.4 | 72% | 0.715 | 37% | 0.373 | S | S | * | . | trans | -109.7 | 123.5 | 170.9 | 178.9 | 0 | 0 | 0 | 0 | 107.4 | E194 | V192-E194 HydrophobicContact CG1-CG 4.43Š| ||
| 193 | I | 78.1 | Confident | 71.6 | Confident | 26 Ų | 26 | 61.4 Ų | 61.4 | 13% | 0.133 | 35% | 0.348 | C | S | . | . | trans | -96.1 | 110 | 170.1 | -51.7 | -159.8 | 0 | 0 | 0 | 107.1 | M112 I117 Y189 I274 | M112-I193 HydrophobicContact CE-CG2 4.07Å; I117-I193 HydrophobicContact CD1-CB 4.26Å; I117-I193 HydrophobicContact CD1-CD1 4.39Å; I117-I193 HydrophobicContact CD1-CG1 3.98Å; I117-I193 HydrophobicContact CD1-CG2 4.04Å; I117-I193 HydrophobicContact CG1-CG1 4.47Å; I117-I193 HydrophobicContact CG2-CD1 3.62Å; I117-I193 HydrophobicContact CG2-CG1 3.88Å; Y189-I193 HydrophobicContact CE1-CD1 4.28Å; Y189-I193 HydrophobicContact CE1-CG1 3.82Å; I193-I274 HydrophobicContact CB-CD1 4.3Å; I193-I274 HydrophobicContact CB-CG2 4.24Å; I193-I274 HydrophobicContact CD1-CG2 4.06Å; I193-I274 HydrophobicContact CG1-CG2 4.38Å; I193-I274 HydrophobicContact CG2-CD1 3.76Å; I193-I274 HydrophobicContact CG2-CG1 4.1Å | ||
| 194 | E | 81.1 | Confident | 74 | Confident | 113 Ų | 113 | 63.1 Ų | 63.1 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | trans | -71.9 | 163.4 | -177.9 | -65.1 | -179 | 162.3 | 0 | 0 | 112.2 | V192 R270 | V192-E194 HydrophobicContact CG1-CG 4.43Å; E194-R270 PolarHBondContact O-NH1 3.24Å; E194-R270 VanDerWaalsContact O-NH1 3.08Å; E194-R270 PolarHBondContact O-NH2 3.34Å | ||
| 195 | N | 86.6 | Confident | 76.3 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | trans | -71.1 | 158.6 | 169.9 | -76.2 | -21.3 | 0 | 0 | 0 | 111.2 | I197 R270 | N195-I197 PolarHBondContact O-N 3.48Å; N195-R270 PolarHBondContact OD1-NH1 3.19Å | ||
| 196 | N | 88 | Confident | 78.8 | Confident | 33 Ų | 33 | 57.4 Ų | 57.4 | 18% | 0.176 | 32% | 0.317 | C | S | . | . | trans | -74.9 | 106.7 | 170 | -173 | -38.6 | 0 | 0 | 0 | 108.2 | D198 I199 E200 D294 | N196-D198 VanDerWaalsContact C-N 3.26Å; N196-D198 PolarHBondContact O-N 3.46Å; N196-D198 PolarHBondContact OD1-N 3.33Å; N196-I199 HydrophobicContact CB-CB 4.18Å; N196-I199 HydrophobicContact CB-CG1 4.03Å; N196-I199 PolarHBondContact O-N 2.92Å; N196-I199 PolarHBondContact OD1-N 3.45Å; N196-E200 PolarHBondContact O-N 3.17Å; N196-D294 PolarHBondContact ND2-OD2 3.31Å | ||
| 197 | I | 88 | Confident | 81 | Confident | 101 Ų | 101 | 58.5 Ų | 58.5 | 52% | 0.518 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.5 | -37.3 | -173.9 | -61.6 | 171.6 | 0 | 0 | 0 | 110.9 | N195 E200 M201 | N195-I197 PolarHBondContact O-N 3.48Å; I197-E200 PolarHBondContact O-N 2.94Å; I197-M201 HydrophobicContact CG2-CG 4.31Å; I197-M201 HydrophobicContact CG2-SD 4.1Å; I197-M201 WeakPolarHBondContact O-CB 3.3Å; I197-M201 VanDerWaalsContact O-CG 3.31Å; I197-M201 WeakPolarHBondContact O-CG 3.2Å; I197-M201 PolarHBondContact O-N 2.84Å |
| 198 | D | 85.2 | Confident | 83.3 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 32% | 0.316 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.2 | -43.6 | -179.9 | -58.8 | -39.6 | 0 | 0 | 0 | 111.3 | N196 M201 F202 | N196-D198 VanDerWaalsContact C-N 3.26Å; N196-D198 PolarHBondContact O-N 3.46Å; N196-D198 PolarHBondContact OD1-N 3.33Å; D198-M201 PolarHBondContact O-N 3.23Å; D198-F202 WeakPolarHBondContact O-CB 3.34Å; D198-F202 PolarHBondContact O-N 3.32Å |
| 199 | I | 91 | Very high | 85.4 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.5 | -38.7 | 175.9 | -59.1 | -63.1 | 0 | 0 | 0 | 111 | N196 F202 H203 Y266 D294 E297 F298 | N196-I199 HydrophobicContact CB-CB 4.18Å; N196-I199 HydrophobicContact CB-CG1 4.03Å; N196-I199 PolarHBondContact O-N 2.92Å; N196-I199 PolarHBondContact OD1-N 3.45Å; I199-F202 PolarHBondContact O-N 3.31Å; I199-H203 VanDerWaalsContact CG2-CE1 3.46Å; I199-H203 WeakPolarHBondContact CG2-CE1 3.37Å; I199-H203 WeakPolarHBondContact O-CB 3.45Å; I199-H203 PolarHBondContact O-N 3.29Å; I199-H203 PolarHBondContact O-ND1 3.45Å; I199-Y266 HydrophobicContact CB-CE1 4.37Å; I199-Y266 HydrophobicContact CG2-CD1 4.13Å; I199-Y266 HydrophobicContact CG2-CE1 3.49Å; I199-Y266 VanDerWaalsContact CG2-CE1 3.49Å; I199-Y266 HydrophobicContact CG2-CE2 4.35Å; I199-D294 WeakPolarHBondContact CD1-O 3.43Å; I199-E297 HydrophobicContact CD1-CB 4.49Å; I199-E297 HydrophobicContact CG2-CB 4.45Å; I199-E297 HydrophobicContact CG2-CG 3.9Å; I199-F298 HydrophobicContact CD1-CB 3.76Å; I199-F298 HydrophobicContact CD1-CD2 4.24Å |
| 200 | E | 91.1 | Very high | 87.4 | Confident | 76 Ų | 76 | 57.2 Ų | 57.2 | 36% | 0.355 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62 | -46 | 175.9 | -176.8 | 168.6 | -172.9 | 0 | 0 | 111.5 | N196 I197 H203 M204 | N196-E200 PolarHBondContact O-N 3.17Å; I197-E200 PolarHBondContact O-N 2.94Å; E200-H203 PolarHBondContact O-N 2.85Å; E200-M204 WeakPolarHBondContact O-CG 3.23Å; E200-M204 PolarHBondContact O-N 2.86Å |
| 201 | M | 89.7 | Confident | 89.2 | Confident | 110 Ų | 110 | 56.3 Ų | 56.3 | 54% | 0.542 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 174.6 | -73.1 | -178.6 | 65.1 | 0 | 0 | 111.9 | I197 D198 H203 M204 I205 | I197-M201 HydrophobicContact CG2-CG 4.31Å; I197-M201 HydrophobicContact CG2-SD 4.1Å; I197-M201 WeakPolarHBondContact O-CB 3.3Å; I197-M201 VanDerWaalsContact O-CG 3.31Å; I197-M201 WeakPolarHBondContact O-CG 3.2Å; I197-M201 PolarHBondContact O-N 2.84Å; D198-M201 PolarHBondContact O-N 3.23Å; M201-H203 PolarHBondContact O-N 2.82Å; M201-M204 WeakPolarHBondContact O-CB 3.31Å; M201-M204 PolarHBondContact O-N 3.44Å; M201-I205 PolarHBondContact O-N 3.34Å; M201-I205 VanDerWaalsContact O-N 3.13Å |
| 202 | F | 92.3 | Very high | 90.7 | Very high | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 176 | -156.8 | 157.9 | 0 | 0 | 0 | 110.6 | I98 D198 I199 M204 I205 L206 F298 C301 L302 L305 | I98-F202 HydrophobicContact CD1-CD2 4.35Å; I98-F202 HydrophobicContact CD1-CE2 3.77Å; I98-F202 HydrophobicContact CD1-CZ 3.84Å; I98-F202 HydrophobicContact CG2-CE1 4.12Å; I98-F202 HydrophobicContact CG2-CZ 4.22Å; D198-F202 WeakPolarHBondContact O-CB 3.34Å; D198-F202 PolarHBondContact O-N 3.32Å; I199-F202 PolarHBondContact O-N 3.31Å; F202-M204 VanDerWaalsContact C-N 3.27Å; F202-M204 PolarHBondContact O-N 2.92Å; F202-I205 PolarHBondContact O-N 3.36Å; F202-I205 VanDerWaalsContact O-N 3.15Å; F202-L206 WeakPolarHBondContact O-CB 3.39Å; F202-L206 PolarHBondContact O-N 2.97Å; F202-F298 AromaticContact CD1-CD2 3.67Å; F202-F298 HydrophobicContact CD1-CD2 3.67Å; F202-F298 AromaticContact CD1-CE2 3.62Å; F202-F298 HydrophobicContact CD1-CE2 3.62Å; F202-F298 HydrophobicContact CD1-CZ 4.42Å; F202-F298 AromaticContact CE1-CD2 3.88Å; F202-F298 HydrophobicContact CE1-CD2 3.88Å; F202-F298 AromaticContact CE1-CE2 3.64Å; F202-F298 HydrophobicContact CE1-CE2 3.64Å; F202-F298 HydrophobicContact CE1-CG 4.42Å; F202-F298 AromaticContact CE1-CZ 4Å; F202-F298 HydrophobicContact CE1-CZ 4Å; F202-C301 HydrophobicContact CD1-CB 3.87Å; F202-C301 HydrophobicContact CD2-CB 3.83Å; F202-C301 HydrophobicContact CE1-CB 3.77Å; F202-C301 HydrophobicContact CE2-CB 3.69Å; F202-C301 HydrophobicContact CG-CB 3.91Å; F202-C301 HydrophobicContact CZ-CB 3.68Å; F202-L302 HydrophobicContact CZ-CB 4.23Å; F202-L302 HydrophobicContact CZ-CD1 4.48Å; F202-L305 HydrophobicContact CE2-CD1 3.54Å; F202-L305 HydrophobicContact CE2-CG 4.14Å; F202-L305 HydrophobicContact CZ-CD1 4.1Å |
| 203 | H | 95.3 | Very high | 92 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.9 | -36.1 | 174.8 | -77.1 | 149.8 | 0 | 0 | 0 | 113.3 | I199 E200 M201 R207 I263 Y266 Y267 E297 C301 | I199-H203 VanDerWaalsContact CG2-CE1 3.46Å; I199-H203 WeakPolarHBondContact CG2-CE1 3.37Å; I199-H203 WeakPolarHBondContact O-CB 3.45Å; I199-H203 PolarHBondContact O-N 3.29Å; I199-H203 PolarHBondContact O-ND1 3.45Å; E200-H203 PolarHBondContact O-N 2.85Å; M201-H203 PolarHBondContact O-N 2.82Å; H203-R207 VanDerWaalsContact O-CB 3.29Å; H203-R207 WeakPolarHBondContact O-CB 3.38Å; H203-R207 WeakPolarHBondContact O-CG 3.38Å; H203-R207 PolarHBondContact O-N 3.48Å; H203-I263 HydrophobicContact CB-CG2 4.13Å; H203-Y266 AromaticContact CE1-CD1 3.47Å; H203-Y266 VanDerWaalsContact CE1-CD1 3.47Å; H203-Y266 WeakPolarHBondContact CE1-CD1 3.45Å; H203-Y266 AromaticContact CE1-CG 3.98Å; H203-Y267 AromaticContact CE1-CE2 3.97Å; H203-Y267 AromaticContact ND1-CE2 3.53Å; H203-Y267 AromaticContact ND1-CZ 3.42Å; H203-Y267 PolarHBondContact ND1-OH 3.23Å; H203-E297 IonicContact CE1-OE1 2.66Å; H203-E297 IonicContact NE2-OE1 3.05Å; H203-E297 PolarHBondContact NE2-OE1 2.71Å; H203-E297 VanDerWaalsContact NE2-OE1 3.08Å; H203-C301 PolarHBondContact CD2-SG 3.24Å; H203-C301 PolarHBondContact NE2-SG 3.41Å |
| 204 | M | 94.6 | Very high | 92.9 | Very high | 115 Ų | 115 | 53.7 Ų | 53.7 | 57% | 0.567 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.8 | -47.9 | 174 | -70.7 | 177.9 | 61.7 | 0 | 0 | 111.7 | E200 M201 F202 R207 N208 | E200-M204 WeakPolarHBondContact O-CG 3.23Å; E200-M204 PolarHBondContact O-N 2.86Å; M201-M204 WeakPolarHBondContact O-CB 3.31Å; M201-M204 PolarHBondContact O-N 3.44Å; F202-M204 VanDerWaalsContact C-N 3.27Å; F202-M204 PolarHBondContact O-N 2.92Å; M204-R207 PolarHBondContact O-N 3.44Å; M204-N208 PolarHBondContact O-N 2.85Å |
| 205 | I | 93.9 | Very high | 93.7 | Very high | 54 Ų | 54 | 51 Ų | 51 | 28% | 0.277 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.5 | -50.2 | 176.9 | -64.1 | 168.2 | 0 | 0 | 0 | 110.4 | M94 M201 F202 R207 N208 F209 | M94-I205 HydrophobicContact CE-CG2 4.07Å; M94-I205 HydrophobicContact CG-CG2 3.92Å; M94-I205 HydrophobicContact SD-CD1 4.47Å; M94-I205 HydrophobicContact SD-CG2 3.88Å; M201-I205 PolarHBondContact O-N 3.34Å; M201-I205 VanDerWaalsContact O-N 3.13Å; F202-I205 PolarHBondContact O-N 3.36Å; F202-I205 VanDerWaalsContact O-N 3.15Å; I205-R207 PolarHBondContact O-N 2.95Å; I205-N208 PolarHBondContact O-N 3.32Å; I205-F209 HydrophobicContact CG2-CD2 4.07Å; I205-F209 HydrophobicContact CG2-CE2 3.92Å; I205-F209 WeakPolarHBondContact O-CD2 3.4Å; I205-F209 PolarHBondContact O-N 2.93Å |
| 206 | L | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | -179.1 | 177 | 61.4 | 0 | 0 | 0 | 111.9 | F202 N208 F209 L210 I263 C301 R304 L305 | F202-L206 WeakPolarHBondContact O-CB 3.39Å; F202-L206 PolarHBondContact O-N 2.97Å; L206-N208 VanDerWaalsContact C-N 3.33Å; L206-N208 PolarHBondContact O-N 2.7Å; L206-F209 PolarHBondContact O-N 3.33Å; L206-L210 HydrophobicContact CD1-CD1 3.87Å; L206-L210 HydrophobicContact CD1-CG 3.99Å; L206-L210 HydrophobicContact CD2-CD1 4.3Å; L206-L210 HydrophobicContact CG-CD1 3.71Å; L206-L210 HydrophobicContact CG-CG 4.27Å; L206-L210 WeakPolarHBondContact O-CB 3.47Å; L206-L210 WeakPolarHBondContact O-CG 3.25Å; L206-L210 PolarHBondContact O-N 3.49Å; L206-I263 HydrophobicContact CD2-CD1 3.95Å; L206-I263 HydrophobicContact CD2-CG1 4.23Å; L206-I263 HydrophobicContact CG-CD1 4.14Å; L206-C301 HydrophobicContact CD2-CB 4.31Å; L206-R304 HydrophobicContact CD1-CB 4Å; L206-R304 HydrophobicContact CD2-CB 4.05Å; L206-L305 HydrophobicContact CD1-CD2 3.65Å; L206-L305 HydrophobicContact CD1-CG 3.94Å |
| 207 | R | 96.9 | Very high | 94.6 | Very high | 86 Ų | 86 | 46.1 Ų | 46.1 | 33% | 0.325 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.3 | -42.9 | 176.8 | -81 | 176 | -177.2 | 173.5 | 3.9 | 112 | H203 M204 I205 F209 L210 C211 I263 | H203-R207 VanDerWaalsContact O-CB 3.29Å; H203-R207 WeakPolarHBondContact O-CB 3.38Å; H203-R207 WeakPolarHBondContact O-CG 3.38Å; H203-R207 PolarHBondContact O-N 3.48Å; M204-R207 PolarHBondContact O-N 3.44Å; I205-R207 PolarHBondContact O-N 2.95Å; R207-F209 PolarHBondContact O-N 2.89Å; R207-L210 PolarHBondContact O-N 3.18Å; R207-C211 WeakPolarHBondContact O-CB 3.29Å; R207-C211 PolarHBondContact O-N 3.47Å; R207-C211 PolarHBondContact O-SG 3.47Å; R207-C211 VanDerWaalsContact O-SG 3.33Å; R207-I263 HydrophobicContact CG-CD1 3.65Å |
| 208 | N | 96.6 | Very high | 95 | Very high | 80 Ų | 80 | 44.4 Ų | 44.4 | 43% | 0.428 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 179.1 | -71.4 | -13.9 | 0 | 0 | 0 | 111.5 | M204 I205 L206 R212 | M204-N208 PolarHBondContact O-N 2.85Å; I205-N208 PolarHBondContact O-N 3.32Å; L206-N208 VanDerWaalsContact C-N 3.33Å; L206-N208 PolarHBondContact O-N 2.7Å; N208-R212 WeakPolarHBondContact O-CG 3.18Å; N208-R212 PolarHBondContact O-N 2.88Å |
| 209 | F | 97.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 44.9 Ų | 44.9 | 4% | 0.039 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.1 | -43.2 | 176 | -78 | -67.8 | 0 | 0 | 0 | 112.9 | M87 E90 V91 M94 I205 L206 R207 R212 A213 L305 V308 | M87-F209 HydrophobicContact CE-CD1 3.92Å; M87-F209 HydrophobicContact CE-CE1 4.14Å; E90-F209 HydrophobicContact CB-CE1 4.49Å; E90-F209 HydrophobicContact CG-CE1 3.94Å; E90-F209 HydrophobicContact CG-CZ 4.08Å; V91-F209 HydrophobicContact CB-CE1 4.46Å; V91-F209 HydrophobicContact CG2-CD1 3.41Å; V91-F209 VanDerWaalsContact CG2-CD1 3.41Å; V91-F209 HydrophobicContact CG2-CE1 3.56Å; V91-F209 HydrophobicContact CG2-CG 4.13Å; V91-F209 HydrophobicContact CG2-CZ 4.38Å; M94-F209 HydrophobicContact CB-CE2 4.08Å; M94-F209 HydrophobicContact CB-CZ 4.18Å; M94-F209 HydrophobicContact CE-CE2 4.12Å; M94-F209 HydrophobicContact CE-CZ 4.42Å; M94-F209 HydrophobicContact CG-CE2 3.89Å; M94-F209 HydrophobicContact CG-CZ 4.46Å; I205-F209 HydrophobicContact CG2-CD2 4.07Å; I205-F209 HydrophobicContact CG2-CE2 3.92Å; I205-F209 WeakPolarHBondContact O-CD2 3.4Å; I205-F209 PolarHBondContact O-N 2.93Å; L206-F209 PolarHBondContact O-N 3.33Å; R207-F209 PolarHBondContact O-N 2.89Å; F209-R212 PolarHBondContact O-N 2.89Å; F209-A213 VanDerWaalsContact O-CB 3.3Å; F209-A213 WeakPolarHBondContact O-CB 3.46Å; F209-A213 PolarHBondContact O-N 2.95Å; F209-L305 HydrophobicContact CB-CD2 4.32Å; F209-L305 HydrophobicContact CD2-CD2 3.87Å; F209-L305 HydrophobicContact CG-CD2 4.32Å; F209-V308 HydrophobicContact CB-CG1 4.5Å |
| 210 | L | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.7 | -42.7 | 178.5 | -73.9 | 170.6 | 0 | 0 | 0 | 112.2 | L206 R207 R212 A213 V214 L256 C259 I263 V308 | L206-L210 HydrophobicContact CD1-CD1 3.87Å; L206-L210 HydrophobicContact CD1-CG 3.99Å; L206-L210 HydrophobicContact CD2-CD1 4.3Å; L206-L210 HydrophobicContact CG-CD1 3.71Å; L206-L210 HydrophobicContact CG-CG 4.27Å; L206-L210 WeakPolarHBondContact O-CB 3.47Å; L206-L210 WeakPolarHBondContact O-CG 3.25Å; L206-L210 PolarHBondContact O-N 3.49Å; R207-L210 PolarHBondContact O-N 3.18Å; L210-R212 VanDerWaalsContact C-N 3.34Å; L210-R212 PolarHBondContact O-N 3.13Å; L210-A213 PolarHBondContact O-N 3.15Å; L210-V214 WeakPolarHBondContact O-CB 3.48Å; L210-V214 VanDerWaalsContact O-CG2 3.25Å; L210-V214 WeakPolarHBondContact O-CG2 3.47Å; L210-V214 PolarHBondContact O-N 3.01Å; L210-L256 HydrophobicContact CD2-CD2 4.04Å; L210-C259 HydrophobicContact CD1-CB 4.16Å; L210-C259 HydrophobicContact CD2-CB 3.73Å; L210-I263 HydrophobicContact CD1-CD1 3.93Å; L210-V308 HydrophobicContact CD2-CG2 3.63Å; L210-V308 HydrophobicContact CG-CG2 4.31Å |
| 211 | C | 97 | Very high | 95.9 | Very high | 83 Ų | 83 | 42.1 Ų | 42.1 | 56% | 0.561 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -60.8 | -43.7 | 177.9 | -76.7 | 0 | 0 | 0 | 0 | 111.8 | R207 S215 | R207-C211 WeakPolarHBondContact O-CB 3.29Å; R207-C211 PolarHBondContact O-N 3.47Å; R207-C211 PolarHBondContact O-SG 3.47Å; R207-C211 VanDerWaalsContact O-SG 3.33Å; C211-S215 PolarHBondContact O-N 3.26Å; C211-S215 VanDerWaalsContact O-N 3.17Å |
| 212 | R | 97.3 | Very high | 96 | Very high | 98 Ų | 98 | 39.6 Ų | 39.6 | 37% | 0.37 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.5 | -49.5 | 174.9 | -68.2 | 177.2 | -175.2 | 176.5 | 2 | 111 | E11 M87 E90 N208 F209 L210 V214 S215 D216 | E11-R212 IonicContact OE1-NH2 3.17Å; E11-R212 IonicContact OE2-NH2 2.84Å; E11-R212 PolarHBondContact OE2-NH2 3Å; M87-R212 HydrophobicContact CE-CB 4.49Å; E90-R212 IonicContact OE1-NH1 3.57Å; N208-R212 WeakPolarHBondContact O-CG 3.18Å; N208-R212 PolarHBondContact O-N 2.88Å; F209-R212 PolarHBondContact O-N 2.89Å; L210-R212 VanDerWaalsContact C-N 3.34Å; L210-R212 PolarHBondContact O-N 3.13Å; R212-V214 PolarHBondContact O-N 3.03Å; R212-S215 WeakPolarHBondContact O-CB 3.29Å; R212-S215 PolarHBondContact O-N 3.46Å; R212-S215 VanDerWaalsContact O-N 3.12Å; R212-D216 VanDerWaalsContact O-CG 3.32Å; R212-D216 PolarHBondContact O-N 3.26Å |
| 213 | A | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.5 | -46 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F209 L210 S215 D216 F217 L256 V308 Y312 | F209-A213 VanDerWaalsContact O-CB 3.3Å; F209-A213 WeakPolarHBondContact O-CB 3.46Å; F209-A213 PolarHBondContact O-N 2.95Å; L210-A213 PolarHBondContact O-N 3.15Å; A213-S215 VanDerWaalsContact C-N 3.29Å; A213-S215 PolarHBondContact O-N 2.85Å; A213-D216 PolarHBondContact O-N 3.31Å; A213-F217 WeakPolarHBondContact O-CB 3.19Å; A213-F217 WeakPolarHBondContact O-CD2 3.31Å; A213-F217 PolarHBondContact O-N 3.28Å; A213-L256 HydrophobicContact CB-CD1 3.79Å; A213-L256 HydrophobicContact CB-CD2 4.08Å; A213-V308 HydrophobicContact CB-CG1 4.13Å; A213-Y312 WeakPolarHBondContact CA-OH 3.49Å; A213-Y312 HydrophobicContact CB-CE2 3.87Å; A213-Y312 PolarHBondContact N-OH 3.29Å |
| 214 | V | 97.7 | Very high | 96 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 15% | 0.152 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.9 | -42.7 | 175.9 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | L210 R212 N218 Y253 L256 M257 | L210-V214 WeakPolarHBondContact O-CB 3.48Å; L210-V214 VanDerWaalsContact O-CG2 3.25Å; L210-V214 WeakPolarHBondContact O-CG2 3.47Å; L210-V214 PolarHBondContact O-N 3.01Å; R212-V214 PolarHBondContact O-N 3.03Å; V214-N218 VanDerWaalsContact O-CB 3.29Å; V214-N218 WeakPolarHBondContact O-CB 3.24Å; V214-N218 PolarHBondContact O-N 3.28Å; V214-Y253 HydrophobicContact CG1-CD2 4.48Å; V214-Y253 HydrophobicContact CG1-CE2 3.74Å; V214-L256 HydrophobicContact CG2-CB 3.99Å; V214-M257 HydrophobicContact CB-SD 4.32Å; V214-M257 HydrophobicContact CG1-CG 4.28Å; V214-M257 HydrophobicContact CG1-SD 3.48Å; V214-M257 WeakPolarHBondContact CG1-SD 3.19Å; V214-M257 HydrophobicContact CG2-CG 4.15Å; V214-M257 HydrophobicContact CG2-SD 3.79Å |
| 215 | S | 97.1 | Very high | 95.8 | Very high | 58 Ų | 58 | 40.1 Ų | 40.1 | 41% | 0.406 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.6 | -47.6 | 176.7 | -175 | 0 | 0 | 0 | 0 | 112.1 | C211 R212 A213 N218 Q219 | C211-S215 PolarHBondContact O-N 3.26Å; C211-S215 VanDerWaalsContact O-N 3.17Å; R212-S215 WeakPolarHBondContact O-CB 3.29Å; R212-S215 PolarHBondContact O-N 3.46Å; R212-S215 VanDerWaalsContact O-N 3.12Å; A213-S215 VanDerWaalsContact C-N 3.29Å; A213-S215 PolarHBondContact O-N 2.85Å; S215-N218 PolarHBondContact O-N 3.25Å; S215-Q219 WeakPolarHBondContact O-CG 3.36Å; S215-Q219 PolarHBondContact O-N 3.43Å; S215-Q219 PolarHBondContact OG-NE2 3.41Å |
| 216 | D | 97.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.1 | -41.8 | -179.2 | -67.7 | -30.3 | 0 | 0 | 0 | 112 | Y76 Y79 H83 F84 R212 A213 Q219 T220 Y312 | Y76-D216 PolarHBondContact OH-O 3.37Å; Y79-D216 WeakPolarHBondContact CE1-OD1 3.31Å; Y79-D216 PolarHBondContact OH-OD1 3.22Å; H83-D216 IonicContact CD2-OD2 2.94Å; H83-D216 IonicContact NE2-OD1 2.61Å; H83-D216 IonicContact NE2-OD2 2.73Å; H83-D216 PolarHBondContact NE2-OD2 2.94Å; F84-D216 HydrophobicContact CE2-CB 4.3Å; F84-D216 HydrophobicContact CZ-CB 4.46Å; R212-D216 VanDerWaalsContact O-CG 3.32Å; R212-D216 PolarHBondContact O-N 3.26Å; A213-D216 PolarHBondContact O-N 3.31Å; D216-Q219 PolarHBondContact O-N 3.47Å; D216-T220 WeakPolarHBondContact O-CB 3.47Å; D216-T220 PolarHBondContact O-N 3.18Å; D216-T220 PolarHBondContact O-OG1 3.13Å; D216-Y312 HydrophobicContact CB-CE1 4.29Å; D216-Y312 PolarHBondContact OD2-OH 3.16Å |
| 217 | F | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.6 | -36.1 | 177.9 | -84.6 | -102.8 | 0 | 0 | 0 | 111.8 | F84 A213 T220 K221 V249 A252 Y253 L256 T311 Y312 T315 | F84-F217 HydrophobicContact CE1-CE2 4.03Å; F84-F217 HydrophobicContact CE1-CZ 4.01Å; F84-F217 HydrophobicContact CZ-CE2 4.34Å; A213-F217 WeakPolarHBondContact O-CB 3.19Å; A213-F217 WeakPolarHBondContact O-CD2 3.31Å; A213-F217 PolarHBondContact O-N 3.28Å; F217-T220 WeakPolarHBondContact O-CB 3.36Å; F217-T220 PolarHBondContact O-N 3.43Å; F217-K221 WeakPolarHBondContact O-CG 3.4Å; F217-K221 PolarHBondContact O-N 3.15Å; F217-V249 HydrophobicContact CD1-CG1 4.17Å; F217-A252 HydrophobicContact CD1-CB 3.84Å; F217-A252 HydrophobicContact CE1-CB 3.55Å; F217-Y253 HydrophobicContact CB-CD2 4.08Å; F217-L256 HydrophobicContact CB-CD1 4.37Å; F217-L256 HydrophobicContact CD1-CD1 4.38Å; F217-L256 HydrophobicContact CD2-CD1 3.71Å; F217-L256 HydrophobicContact CE2-CD1 4.12Å; F217-L256 HydrophobicContact CG-CD1 3.87Å; F217-T311 HydrophobicContact CD1-CG2 4.28Å; F217-T311 HydrophobicContact CD2-CG2 4.5Å; F217-T311 HydrophobicContact CE1-CG2 3.45Å; F217-T311 VanDerWaalsContact CE1-CG2 3.45Å; F217-T311 HydrophobicContact CE2-CG2 3.71Å; F217-T311 HydrophobicContact CZ-CG2 3.12Å; F217-Y312 AromaticContact CE2-CD1 3.92Å; F217-Y312 HydrophobicContact CE2-CD1 3.92Å; F217-Y312 AromaticContact CE2-CE1 3.97Å; F217-Y312 HydrophobicContact CE2-CE1 3.97Å; F217-Y312 HydrophobicContact CE2-CG 4.43Å; F217-T315 HydrophobicContact CE1-CG2 3.84Å; F217-T315 WeakPolarHBondContact CE1-OG1 3.33Å; F217-T315 HydrophobicContact CZ-CG2 4.01Å; F217-T315 WeakPolarHBondContact CZ-OG1 3.29Å |
| 218 | N | 96.2 | Very high | 94.6 | Very high | 64 Ų | 64 | 43.9 Ų | 43.9 | 34% | 0.342 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63 | -45.9 | 172.4 | -174 | 41.6 | 0 | 0 | 0 | 112.1 | V214 S215 T220 K221 V222 Y253 | V214-N218 VanDerWaalsContact O-CB 3.29Å; V214-N218 WeakPolarHBondContact O-CB 3.24Å; V214-N218 PolarHBondContact O-N 3.28Å; S215-N218 PolarHBondContact O-N 3.25Å; N218-T220 PolarHBondContact O-N 3.19Å; N218-K221 WeakPolarHBondContact O-CB 3.25Å; N218-K221 PolarHBondContact O-N 3.19Å; N218-V222 WeakPolarHBondContact O-CG2 3.36Å; N218-V222 PolarHBondContact O-N 2.92Å; N218-Y253 HydrophobicContact CB-CD2 4.35Å; N218-Y253 HydrophobicContact CB-CE2 3.92Å |
| 219 | Q | 94.8 | Very high | 93.6 | Very high | 70 Ų | 70 | 40.7 Ų | 40.7 | 33% | 0.327 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.4 | -34.7 | 175.4 | -70.6 | 177.1 | 55.8 | 0 | 0 | 111.7 | Y76 S215 D216 V222 W223 | Y76-Q219 HydrophobicContact CE2-CB 3.47Å; Y76-Q219 VanDerWaalsContact CE2-CB 3.47Å; Y76-Q219 HydrophobicContact CE2-CG 4.42Å; Y76-Q219 VanDerWaalsContact OH-CB 3.25Å; Y76-Q219 WeakPolarHBondContact OH-CB 3.2Å; S215-Q219 WeakPolarHBondContact O-CG 3.36Å; S215-Q219 PolarHBondContact O-N 3.43Å; S215-Q219 PolarHBondContact OG-NE2 3.41Å; D216-Q219 PolarHBondContact O-N 3.47Å; Q219-V222 PolarHBondContact O-N 3.49Å; Q219-W223 WeakPolarHBondContact O-CB 3.49Å; Q219-W223 PolarHBondContact O-N 3Å |
| 220 | T | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.9 | -40.7 | 175.5 | -53.5 | 0 | 0 | 0 | 0 | 112 | Y76 I80 F84 D216 F217 N218 V222 W223 L224 V249 I319 | Y76-T220 HydrophobicContact CE1-CG2 4.49Å; Y76-T220 PolarHBondContact OH-N 3.28Å; Y76-T220 PolarHBondContact OH-OG1 2.88Å; I80-T220 HydrophobicContact CD1-CG2 4.35Å; F84-T220 WeakPolarHBondContact CZ-OG1 3.48Å; D216-T220 WeakPolarHBondContact O-CB 3.47Å; D216-T220 PolarHBondContact O-N 3.18Å; D216-T220 PolarHBondContact O-OG1 3.13Å; F217-T220 WeakPolarHBondContact O-CB 3.36Å; F217-T220 PolarHBondContact O-N 3.43Å; N218-T220 PolarHBondContact O-N 3.19Å; T220-V222 VanDerWaalsContact C-N 3.33Å; T220-V222 PolarHBondContact O-N 2.91Å; T220-W223 PolarHBondContact O-N 3.49Å; T220-L224 HydrophobicContact CG2-CD1 4.48Å; T220-L224 WeakPolarHBondContact O-CG 3.41Å; T220-L224 PolarHBondContact O-N 2.89Å; T220-V249 HydrophobicContact CG2-CG1 3.91Å; T220-V249 HydrophobicContact CG2-CG2 4.32Å; T220-I319 HydrophobicContact CG2-CD1 3.59Å |
| 221 | K | 94.8 | Very high | 91.1 | Very high | 19 Ų | 19 | 50 Ų | 50 | 8% | 0.083 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 171.7 | -69.5 | 169.8 | 72.1 | 177.4 | 0 | 111.1 | F217 N218 L224 R225 V249 Y253 | F217-K221 WeakPolarHBondContact O-CG 3.4Å; F217-K221 PolarHBondContact O-N 3.15Å; N218-K221 WeakPolarHBondContact O-CB 3.25Å; N218-K221 PolarHBondContact O-N 3.19Å; K221-L224 PolarHBondContact O-N 3.29Å; K221-R225 WeakPolarHBondContact O-CG 3.38Å; K221-R225 PolarHBondContact O-N 3.4Å; K221-V249 HydrophobicContact CG-CG1 3.83Å; K221-Y253 HydrophobicContact CD-CD1 4.28Å; K221-Y253 HydrophobicContact CD-CD2 4.36Å; K221-Y253 HydrophobicContact CD-CG 3.95Å |
| 222 | V | 93.2 | Very high | 89.8 | Confident | 57 Ų | 57 | 52.2 Ų | 52.2 | 35% | 0.345 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 176.8 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | F72 N218 Q219 T220 L224 R225 L226 | F72-V222 HydrophobicContact CZ-CG1 4.46Å; N218-V222 WeakPolarHBondContact O-CG2 3.36Å; N218-V222 PolarHBondContact O-N 2.92Å; Q219-V222 PolarHBondContact O-N 3.49Å; T220-V222 VanDerWaalsContact C-N 3.33Å; T220-V222 PolarHBondContact O-N 2.91Å; V222-L224 PolarHBondContact O-N 2.97Å; V222-R225 PolarHBondContact O-N 3.08Å; V222-L226 WeakPolarHBondContact O-CG 3.22Å; V222-L226 PolarHBondContact O-N 3.19Å; V222-L226 VanDerWaalsContact O-N 3.1Å |
| 223 | W | 93.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 177.8 | 175.9 | 83.3 | 0 | 0 | 0 | 112.8 | F72 K73 Y76 I80 Q219 T220 L226 H227 I319 L323 | F72-W223 HydrophobicContact CE1-CB 4.15Å; K73-W223 PolarHBondContact O-NE1 2.56Å; K73-W223 VanDerWaalsContact O-NE1 3.1Å; Y76-W223 HydrophobicContact CD1-CB 3.39Å; Y76-W223 AromaticContact CD1-CD1 3.6Å; Y76-W223 AromaticContact CD1-CD2 3.92Å; Y76-W223 HydrophobicContact CD1-CD2 3.92Å; Y76-W223 AromaticContact CD1-CG 3.34Å; Y76-W223 HydrophobicContact CD1-CG 3.34Å; Y76-W223 HydrophobicContact CE1-CB 3.8Å; Y76-W223 HydrophobicContact CE1-CG 4.12Å; Y76-W223 HydrophobicContact CG-CB 4.1Å; Y76-W223 AromaticContact CG-CD1 3.93Å; Y76-W223 HydrophobicContact CG-CG 4.07Å; I80-W223 HydrophobicContact CD1-CD2 4.22Å; I80-W223 HydrophobicContact CD1-CE3 3.95Å; I80-W223 HydrophobicContact CD1-CH2 4.46Å; I80-W223 HydrophobicContact CD1-CZ3 4.08Å; Q219-W223 WeakPolarHBondContact O-CB 3.49Å; Q219-W223 PolarHBondContact O-N 3Å; T220-W223 PolarHBondContact O-N 3.49Å; W223-L226 PolarHBondContact O-N 3.43Å; W223-H227 AromaticContact CD2-CD2 3.87Å; W223-H227 AromaticContact CE2-CD2 3.49Å; W223-H227 VanDerWaalsContact CE2-CD2 3.49Å; W223-H227 AromaticContact CE2-NE2 3.31Å; W223-H227 VanDerWaalsContact CE2-NE2 3.31Å; W223-H227 AromaticContact CZ2-CD2 3.62Å; W223-H227 AromaticContact CZ2-NE2 3.29Å; W223-H227 VanDerWaalsContact CZ2-NE2 3.29Å; W223-H227 WeakPolarHBondContact CZ2-NE2 3.44Å; W223-H227 AromaticContact NE1-CD2 3.82Å; W223-H227 AromaticContact NE1-NE2 3.42Å; W223-H227 PolarHBondContact NE1-NE2 2.71Å; W223-H227 PolarHBondContact O-CD2 3.11Å; W223-H227 PolarHBondContact O-N 3.33Å; W223-I319 HydrophobicContact CH2-CG2 4.22Å; W223-I319 HydrophobicContact CZ3-CG2 4.16Å; W223-L323 HydrophobicContact CH2-CD2 3.58Å; W223-L323 HydrophobicContact CZ2-CD2 4.05Å |
| 224 | L | 92.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 174.2 | -74.6 | 171.3 | 0 | 0 | 0 | 111.3 | T220 K221 V222 L226 H227 K228 F242 V245 V249 I326 | T220-L224 HydrophobicContact CG2-CD1 4.48Å; T220-L224 WeakPolarHBondContact O-CG 3.41Å; T220-L224 PolarHBondContact O-N 2.89Å; K221-L224 PolarHBondContact O-N 3.29Å; V222-L224 PolarHBondContact O-N 2.97Å; L224-L226 PolarHBondContact O-N 3.35Å; L224-H227 CarbonylContact O-C 3.19Å; L224-H227 WeakPolarHBondContact O-CA 3.48Å; L224-H227 WeakPolarHBondContact O-CB 3.45Å; L224-H227 PolarHBondContact O-N 2.96Å; L224-K228 PolarHBondContact O-N 2.99Å; L224-F242 HydrophobicContact CB-CE2 4.43Å; L224-F242 HydrophobicContact CB-CZ 4.42Å; L224-F242 HydrophobicContact CD2-CE2 4.37Å; L224-F242 WeakPolarHBondContact O-CE2 3.22Å; L224-F242 WeakPolarHBondContact O-CZ 3.36Å; L224-V245 HydrophobicContact CD1-CG1 3.94Å; L224-V245 HydrophobicContact CD2-CG1 3.81Å; L224-V249 HydrophobicContact CD1-CB 3.94Å; L224-V249 HydrophobicContact CD1-CG1 4.25Å; L224-V249 HydrophobicContact CD1-CG2 3.78Å; L224-I326 HydrophobicContact CD2-CD1 4.17Å |
| 225 | R | 91.1 | Very high | 85.8 | Confident | 135 Ų | 135 | 58.9 Ų | 58.9 | 51% | 0.509 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.6 | -35 | 178.4 | -73.3 | 172.1 | -178.7 | 165.7 | -1.8 | 113.1 | K221 V222 H227 K228 | K221-R225 WeakPolarHBondContact O-CG 3.38Å; K221-R225 PolarHBondContact O-N 3.4Å; V222-R225 PolarHBondContact O-N 3.08Å; R225-H227 PolarHBondContact O-N 3.29Å; R225-K228 WeakPolarHBondContact O-CB 3.29Å; R225-K228 PolarHBondContact O-N 3.27Å; R225-K228 VanDerWaalsContact O-N 3.14Å |
| 226 | L | 89.7 | Confident | 85.2 | Confident | 67 Ų | 67 | 64.7 Ų | 64.7 | 35% | 0.351 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.4 | -22.7 | 174.3 | -66.5 | 174.1 | 0 | 0 | 0 | 112.8 | F72 K73 V222 W223 L224 | F72-L226 HydrophobicContact CD1-CD1 3.38Å; F72-L226 HydrophobicContact CE1-CD1 3.61Å; F72-L226 HydrophobicContact CG-CD1 4.33Å; K73-L226 VanDerWaalsContact CE-C 3.46Å; K73-L226 WeakPolarHBondContact CE-O 3.48Å; K73-L226 PolarHBondContact NZ-O 2.77Å; V222-L226 WeakPolarHBondContact O-CG 3.22Å; V222-L226 PolarHBondContact O-N 3.19Å; V222-L226 VanDerWaalsContact O-N 3.1Å; W223-L226 PolarHBondContact O-N 3.43Å; L224-L226 PolarHBondContact O-N 3.35Å |
| 227 | H | 86.8 | Confident | 84.5 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 10% | 0.102 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 4.1 | 172.8 | -75.3 | -68.4 | 0 | 0 | 0 | 113.7 | K73 W223 L224 R225 P229 F242 I326 | K73-H227 VanDerWaalsContact CD-CE1 3.47Å; K73-H227 WeakPolarHBondContact CD-CE1 3.35Å; K73-H227 WeakPolarHBondContact CE-ND1 3.19Å; K73-H227 PolarHBondContact NZ-ND1 3.33Å; K73-H227 VanDerWaalsContact NZ-ND1 3.12Å; W223-H227 AromaticContact CD2-CD2 3.87Å; W223-H227 AromaticContact CE2-CD2 3.49Å; W223-H227 VanDerWaalsContact CE2-CD2 3.49Å; W223-H227 AromaticContact CE2-NE2 3.31Å; W223-H227 VanDerWaalsContact CE2-NE2 3.31Å; W223-H227 AromaticContact CZ2-CD2 3.62Å; W223-H227 AromaticContact CZ2-NE2 3.29Å; W223-H227 VanDerWaalsContact CZ2-NE2 3.29Å; W223-H227 WeakPolarHBondContact CZ2-NE2 3.44Å; W223-H227 AromaticContact NE1-CD2 3.82Å; W223-H227 AromaticContact NE1-NE2 3.42Å; W223-H227 PolarHBondContact NE1-NE2 2.71Å; W223-H227 PolarHBondContact O-CD2 3.11Å; W223-H227 PolarHBondContact O-N 3.33Å; L224-H227 CarbonylContact O-C 3.19Å; L224-H227 WeakPolarHBondContact O-CA 3.48Å; L224-H227 WeakPolarHBondContact O-CB 3.45Å; L224-H227 PolarHBondContact O-N 2.96Å; R225-H227 PolarHBondContact O-N 3.29Å; H227-P229 VanDerWaalsContact O-CD 3.31Å; H227-P229 WeakPolarHBondContact O-CD 3.44Å; H227-F242 HydrophobicContact CB-CE2 4.08Å; H227-I326 HydrophobicContact CB-CG2 3.72Å |
| 228 | K | 84.6 | Confident | 83.8 | Confident | 130 Ų | 130 | 72.3 Ų | 72.3 | 57% | 0.565 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 118 | -179.5 | -174.2 | 178.2 | -177.7 | 178.9 | 0 | 109.6 | L224 R225 F242 | L224-K228 PolarHBondContact O-N 2.99Å; R225-K228 WeakPolarHBondContact O-CB 3.29Å; R225-K228 PolarHBondContact O-N 3.27Å; R225-K228 VanDerWaalsContact O-N 3.14Å; K228-F242 HydrophobicContact CB-CE1 4.28Å; K228-F242 HydrophobicContact CB-CZ 4.07Å; K228-F242 HydrophobicContact CG-CE1 4.22Å |
| 229 | P | 75.4 | Confident | 83.3 | Confident | 14 Ų | 14 | 72.4 Ų | 72.4 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 149 | -177.1 | 30.1 | -36.2 | 0 | 0 | 0 | 111 | H227 I231 Q234 Y239 F242 | H227-P229 VanDerWaalsContact O-CD 3.31Å; H227-P229 WeakPolarHBondContact O-CD 3.44Å; P229-I231 PolarHBondContact O-N 3.06Å; P229-Q234 HydrophobicContact CB-CB 4.4Å; P229-Q234 HydrophobicContact CB-CG 3.69Å; P229-Q234 VanDerWaalsContact CB-NE2 3.33Å; P229-Q234 VanDerWaalsContact CG-OE1 3.3Å; P229-Y239 HydrophobicContact CG-CD2 4.08Å; P229-F242 HydrophobicContact CG-CG 4.41Å |
| 230 | D | 73.9 | Confident | 83 | Confident | 91 Ų | 91 | 73.8 Ų | 73.8 | 49% | 0.487 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 121.4 | 166.7 | -166.5 | -10.3 | 0 | 0 | 0 | 108.5 | V232 Q233 | D230-V232 PolarHBondContact O-N 3.45Å; D230-V232 PolarHBondContact OD1-N 3.23Å; D230-Q233 HydrophobicContact CB-CG 4.35Å; D230-Q233 PolarHBondContact O-N 3.45Å |
| 231 | I | 68.8 | Low | 82.6 | Confident | 114 Ų | 114 | 75.7 Ų | 75.7 | 59% | 0.585 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -27.7 | -175.4 | -62.5 | 170.7 | 0 | 0 | 0 | 110.5 | P229 Y239 | P229-I231 PolarHBondContact O-N 3.06Å; I231-Y239 HydrophobicContact CD1-CE2 4.5Å; I231-Y239 HydrophobicContact CG1-CD2 4.39Å; I231-Y239 HydrophobicContact CG1-CE2 3.94Å |
| 232 | V | 69.9 | Low | 82.4 | Confident | 128 Ų | 128 | 75.1 Ų | 75.1 | 78% | 0.776 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -31.2 | -178.3 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | D230 | D230-V232 PolarHBondContact O-N 3.45Å; D230-V232 PolarHBondContact OD1-N 3.23Å |
| 233 | Q | 62.6 | Low | 82.3 | Confident | 150 Ų | 150 | 77.1 Ų | 77.1 | 70% | 0.701 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -21.1 | -167.6 | -66.2 | -174.1 | -1.5 | 0 | 0 | 114.5 | D230 | D230-Q233 HydrophobicContact CB-CG 4.35Å; D230-Q233 PolarHBondContact O-N 3.45Å |
| 234 | Q | 66.3 | Low | 82.2 | Confident | 50 Ų | 50 | 79 Ų | 79 | 23% | 0.234 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -99.5 | 149.8 | -173.4 | -72.4 | -158.1 | -10.6 | 0 | 0 | 114.2 | P229 R238 | P229-Q234 HydrophobicContact CB-CB 4.4Å; P229-Q234 HydrophobicContact CB-CG 3.69Å; P229-Q234 VanDerWaalsContact CB-NE2 3.33Å; P229-Q234 VanDerWaalsContact CG-OE1 3.3Å; Q234-R238 HydrophobicContact CB-CB 4.33Å; Q234-R238 VanDerWaalsContact OE1-CB 3.28Å |
| 235 | S | 79.8 | Confident | 82.3 | Confident | 64 Ų | 64 | 79 Ų | 79 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | trans | -58.7 | 142.1 | 166.6 | 74.7 | 0 | 0 | 0 | 0 | 109.5 | V237 R238 Y239 | S235-V237 PolarHBondContact O-N 3.14Å; S235-R238 PolarHBondContact O-N 2.85Å; S235-R238 PolarHBondContact OG-N 3.07Å; S235-Y239 PolarHBondContact O-N 3.27Å | ||
| 236 | K | 84 | Confident | 82.4 | Confident | 179 Ų | 179 | 75 Ų | 75 | 78% | 0.778 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -50.9 | -31.2 | 177.4 | -68.9 | -179.7 | 178.9 | 177.4 | 0 | 112.4 | N240 | K236-N240 VanDerWaalsContact O-CB 3.32Å; K236-N240 WeakPolarHBondContact O-CB 3.46Å; K236-N240 PolarHBondContact O-N 3.1Å; K236-N240 PolarHBondContact O-ND2 2.98Å |
| 237 | V | 83.1 | Confident | 82.6 | Confident | 111 Ų | 111 | 76.8 Ų | 76.8 | 67% | 0.673 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.3 | -48.9 | 178.5 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | S235 N240 L241 | S235-V237 PolarHBondContact O-N 3.14Å; V237-N240 PolarHBondContact O-N 2.73Å; V237-L241 PolarHBondContact O-N 3.46Å |
| 238 | R | 83.3 | Confident | 83.1 | Confident | 54 Ų | 54 | 79 Ų | 79 | 20% | 0.204 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 178.8 | -73.8 | -173.6 | -179.8 | 158.9 | 3.3 | 111.9 | Q234 S235 N240 L241 F242 E325 D332 | Q234-R238 HydrophobicContact CB-CB 4.33Å; Q234-R238 VanDerWaalsContact OE1-CB 3.28Å; S235-R238 PolarHBondContact O-N 2.85Å; S235-R238 PolarHBondContact OG-N 3.07Å; R238-N240 VanDerWaalsContact C-N 3.33Å; R238-N240 PolarHBondContact O-N 2.86Å; R238-L241 PolarHBondContact O-N 3.14Å; R238-F242 PolarHBondContact O-N 3.29Å; R238-E325 WeakPolarHBondContact CD-OE2 3.2Å; R238-E325 WeakPolarHBondContact CG-OE2 3.33Å; R238-E325 IonicContact CZ-OE2 3.61Å; R238-E325 IonicContact NE-OE2 3.32Å; R238-E325 PolarHBondContact NE-OE2 3.5Å; R238-E325 IonicContact NH2-OE2 3.62Å; R238-D332 IonicContact CZ-OD2 2.7Å; R238-D332 IonicContact NH1-OD2 3.92Å; R238-D332 IonicContact NH2-OD2 3.08Å; R238-D332 PolarHBondContact NH2-OD2 3.46Å |
| 239 | Y | 86.3 | Confident | 83.6 | Confident | 66 Ų | 66 | 72.8 Ų | 72.8 | 26% | 0.259 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.6 | -44.8 | 176.5 | 177.1 | -100.6 | 0 | 0 | 0 | 112 | P229 I231 S235 L241 F242 K243 | P229-Y239 HydrophobicContact CG-CD2 4.08Å; I231-Y239 HydrophobicContact CD1-CE2 4.5Å; I231-Y239 HydrophobicContact CG1-CD2 4.39Å; I231-Y239 HydrophobicContact CG1-CE2 3.94Å; S235-Y239 PolarHBondContact O-N 3.27Å; Y239-L241 PolarHBondContact O-N 3.12Å; Y239-F242 PolarHBondContact O-N 3.3Å; Y239-K243 HydrophobicContact CE1-CD 4.44Å; Y239-K243 WeakPolarHBondContact O-CB 3.36Å; Y239-K243 PolarHBondContact O-N 2.78Å |
| 240 | N | 87.5 | Confident | 84.6 | Confident | 98 Ų | 98 | 74 Ų | 74 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 178.4 | -73.3 | -18.5 | 0 | 0 | 0 | 112.3 | K236 V237 R238 K243 A244 | K236-N240 VanDerWaalsContact O-CB 3.32Å; K236-N240 WeakPolarHBondContact O-CB 3.46Å; K236-N240 PolarHBondContact O-N 3.1Å; K236-N240 PolarHBondContact O-ND2 2.98Å; V237-N240 PolarHBondContact O-N 2.73Å; R238-N240 VanDerWaalsContact C-N 3.33Å; R238-N240 PolarHBondContact O-N 2.86Å; N240-K243 PolarHBondContact O-N 3.38Å; N240-A244 WeakPolarHBondContact O-CB 3.46Å; N240-A244 PolarHBondContact O-N 3.34Å |
| 241 | L | 88.1 | Confident | 85.7 | Confident | 41 Ų | 41 | 71.8 Ų | 71.8 | 22% | 0.215 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.2 | -47.6 | 175.7 | -178.1 | 63.9 | 0 | 0 | 0 | 111.2 | V237 R238 Y239 K243 A244 V245 E325 | V237-L241 PolarHBondContact O-N 3.46Å; R238-L241 PolarHBondContact O-N 3.14Å; Y239-L241 PolarHBondContact O-N 3.12Å; L241-K243 VanDerWaalsContact C-N 3.31Å; L241-K243 PolarHBondContact O-N 3.36Å; L241-A244 WeakPolarHBondContact O-CB 3.45Å; L241-A244 PolarHBondContact O-N 3.31Å; L241-A244 VanDerWaalsContact O-N 3.12Å; L241-V245 WeakPolarHBondContact O-CG2 3.45Å; L241-V245 PolarHBondContact O-N 3.46Å; L241-E325 HydrophobicContact CD2-CB 3.58Å; L241-E325 HydrophobicContact CD2-CG 3.64Å |
| 242 | F | 89.8 | Confident | 87.1 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -55.1 | -48.2 | 174.6 | 174.3 | -87.5 | 0 | 0 | 0 | 111.3 | L224 H227 K228 P229 R238 Y239 A244 V245 E246 I326 | L224-F242 HydrophobicContact CB-CE2 4.43Å; L224-F242 HydrophobicContact CB-CZ 4.42Å; L224-F242 HydrophobicContact CD2-CE2 4.37Å; L224-F242 WeakPolarHBondContact O-CE2 3.22Å; L224-F242 WeakPolarHBondContact O-CZ 3.36Å; H227-F242 HydrophobicContact CB-CE2 4.08Å; K228-F242 HydrophobicContact CB-CE1 4.28Å; K228-F242 HydrophobicContact CB-CZ 4.07Å; K228-F242 HydrophobicContact CG-CE1 4.22Å; P229-F242 HydrophobicContact CG-CG 4.41Å; R238-F242 PolarHBondContact O-N 3.29Å; Y239-F242 PolarHBondContact O-N 3.3Å; F242-A244 VanDerWaalsContact C-N 3.3Å; F242-A244 PolarHBondContact O-N 2.92Å; F242-V245 PolarHBondContact O-N 2.93Å; F242-V245 VanDerWaalsContact O-N 3.16Å; F242-E246 HydrophobicContact CE1-CB 4.48Å; F242-E246 PolarHBondContact O-N 3.46Å; F242-I326 HydrophobicContact CD2-CG1 4.35Å; F242-I326 HydrophobicContact CD2-CG2 4.37Å |
| 243 | K | 91 | Very high | 88.4 | Confident | 100 Ų | 100 | 61.4 Ų | 61.4 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61 | -38.7 | 177.8 | -173.1 | 179.2 | 178.8 | -177 | 0 | 111.9 | Y239 N240 L241 E246 I247 | Y239-K243 HydrophobicContact CE1-CD 4.44Å; Y239-K243 WeakPolarHBondContact O-CB 3.36Å; Y239-K243 PolarHBondContact O-N 2.78Å; N240-K243 PolarHBondContact O-N 3.38Å; L241-K243 VanDerWaalsContact C-N 3.31Å; L241-K243 PolarHBondContact O-N 3.36Å; K243-E246 PolarHBondContact O-N 3.49Å; K243-I247 HydrophobicContact CG-CD1 3.96Å; K243-I247 HydrophobicContact CG-CG1 4.5Å; K243-I247 WeakPolarHBondContact O-CB 3.2Å; K243-I247 VanDerWaalsContact O-CG1 3.23Å; K243-I247 WeakPolarHBondContact O-CG1 3.36Å; K243-I247 PolarHBondContact O-N 2.94Å |
| 244 | A | 92.5 | Very high | 90.1 | Very high | 40 Ų | 40 | 58.1 Ų | 58.1 | 33% | 0.331 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N240 L241 F242 I247 F248 | N240-A244 WeakPolarHBondContact O-CB 3.46Å; N240-A244 PolarHBondContact O-N 3.34Å; L241-A244 WeakPolarHBondContact O-CB 3.45Å; L241-A244 PolarHBondContact O-N 3.31Å; L241-A244 VanDerWaalsContact O-N 3.12Å; F242-A244 VanDerWaalsContact C-N 3.3Å; F242-A244 PolarHBondContact O-N 2.92Å; A244-I247 PolarHBondContact O-N 3.41Å; A244-F248 WeakPolarHBondContact O-CB 3.34Å; A244-F248 PolarHBondContact O-N 3.18Å |
| 245 | V | 93 | Very high | 91.5 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -45 | 174.4 | 179 | 0 | 0 | 0 | 0 | 111.4 | L224 L241 F242 I247 F248 V249 F318 I319 S322 I326 | L224-V245 HydrophobicContact CD1-CG1 3.94Å; L224-V245 HydrophobicContact CD2-CG1 3.81Å; L241-V245 WeakPolarHBondContact O-CG2 3.45Å; L241-V245 PolarHBondContact O-N 3.46Å; F242-V245 PolarHBondContact O-N 2.93Å; F242-V245 VanDerWaalsContact O-N 3.16Å; V245-I247 PolarHBondContact O-N 3.36Å; V245-F248 PolarHBondContact O-N 3.43Å; V245-V249 HydrophobicContact CG1-CG2 4.42Å; V245-V249 WeakPolarHBondContact O-CG2 3.41Å; V245-V249 PolarHBondContact O-N 3.29Å; V245-F318 HydrophobicContact CB-CD1 4.35Å; V245-F318 HydrophobicContact CB-CE1 4.19Å; V245-F318 HydrophobicContact CG1-CD1 4.46Å; V245-F318 HydrophobicContact CG2-CD1 3.85Å; V245-F318 HydrophobicContact CG2-CE1 3.64Å; V245-F318 HydrophobicContact CG2-CZ 4.36Å; V245-I319 HydrophobicContact CG1-CG1 4.25Å; V245-S322 VanDerWaalsContact CG2-OG 3.3Å; V245-S322 WeakPolarHBondContact CG2-OG 3.39Å; V245-I326 HydrophobicContact CG1-CD1 4.26Å; V245-I326 HydrophobicContact CG2-CD1 4.36Å |
| 246 | E | 93.4 | Very high | 92.4 | Very high | 51 Ų | 51 | 57.2 Ų | 57.2 | 24% | 0.238 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 177.1 | -174.2 | 177.7 | -160.4 | 0 | 0 | 112.2 | F242 K243 T250 | F242-E246 HydrophobicContact CE1-CB 4.48Å; F242-E246 PolarHBondContact O-N 3.46Å; K243-E246 PolarHBondContact O-N 3.49Å; E246-T250 VanDerWaalsContact O-CB 3.31Å; E246-T250 WeakPolarHBondContact O-CB 3.4Å; E246-T250 PolarHBondContact O-N 3.35Å; E246-T250 PolarHBondContact O-OG1 3.18Å |
| 247 | I | 95.1 | Very high | 93 | Very high | 103 Ų | 103 | 52.4 Ų | 52.4 | 53% | 0.528 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 175.7 | -70.3 | 166.4 | 0 | 0 | 0 | 110.4 | K243 A244 V245 T250 A251 | K243-I247 HydrophobicContact CG-CD1 3.96Å; K243-I247 HydrophobicContact CG-CG1 4.5Å; K243-I247 WeakPolarHBondContact O-CB 3.2Å; K243-I247 VanDerWaalsContact O-CG1 3.23Å; K243-I247 WeakPolarHBondContact O-CG1 3.36Å; K243-I247 PolarHBondContact O-N 2.94Å; A244-I247 PolarHBondContact O-N 3.41Å; V245-I247 PolarHBondContact O-N 3.36Å; I247-T250 PolarHBondContact O-N 3.18Å; I247-A251 WeakPolarHBondContact O-CB 3.21Å; I247-A251 PolarHBondContact O-N 3.41Å |
| 248 | F | 95.7 | Very high | 93.6 | Very high | 68 Ų | 68 | 50.7 Ų | 50.7 | 30% | 0.298 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.1 | -48.6 | -179.3 | -178.8 | -98.4 | 0 | 0 | 0 | 112.1 | A244 V245 T250 A251 A252 L314 T315 F318 | A244-F248 WeakPolarHBondContact O-CB 3.34Å; A244-F248 PolarHBondContact O-N 3.18Å; V245-F248 PolarHBondContact O-N 3.43Å; F248-T250 VanDerWaalsContact C-N 3.3Å; F248-T250 PolarHBondContact O-N 3.02Å; F248-A251 PolarHBondContact O-N 2.86Å; F248-A252 WeakPolarHBondContact O-CB 3.19Å; F248-A252 PolarHBondContact O-N 3.28Å; F248-L314 HydrophobicContact CE1-CB 4.35Å; F248-L314 HydrophobicContact CZ-CB 3.79Å; F248-T315 WeakPolarHBondContact CE1-OG1 2.92Å; F248-F318 HydrophobicContact CB-CD1 4Å; F248-F318 HydrophobicContact CB-CE1 3.87Å; F248-F318 HydrophobicContact CD1-CB 4.43Å; F248-F318 AromaticContact CD1-CD1 3.81Å; F248-F318 HydrophobicContact CD1-CD1 3.81Å; F248-F318 HydrophobicContact CD1-CE1 4.49Å; F248-F318 HydrophobicContact CD1-CG 4.4Å; F248-F318 HydrophobicContact CE1-CB 4.41Å; F248-F318 AromaticContact CG-CD1 3.93Å; F248-F318 HydrophobicContact CG-CD1 3.93Å; F248-F318 HydrophobicContact CG-CE1 4.17Å |
| 249 | V | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.7 | -35 | 178.5 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | F217 T220 K221 L224 V245 Y253 T315 I319 | F217-V249 HydrophobicContact CD1-CG1 4.17Å; T220-V249 HydrophobicContact CG2-CG1 3.91Å; T220-V249 HydrophobicContact CG2-CG2 4.32Å; K221-V249 HydrophobicContact CG-CG1 3.83Å; L224-V249 HydrophobicContact CD1-CB 3.94Å; L224-V249 HydrophobicContact CD1-CG1 4.25Å; L224-V249 HydrophobicContact CD1-CG2 3.78Å; V245-V249 HydrophobicContact CG1-CG2 4.42Å; V245-V249 WeakPolarHBondContact O-CG2 3.41Å; V245-V249 PolarHBondContact O-N 3.29Å; V249-Y253 WeakPolarHBondContact O-CB 3.37Å; V249-Y253 PolarHBondContact O-N 2.84Å; V249-T315 HydrophobicContact CG2-CG2 3.9Å; V249-I319 HydrophobicContact CG2-CD1 4.44Å |
| 250 | T | 96.7 | Very high | 94.7 | Very high | 40 Ų | 40 | 48 Ų | 48 | 25% | 0.245 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.9 | -46.8 | 176.1 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | E246 I247 F248 A252 Y253 D254 | E246-T250 VanDerWaalsContact O-CB 3.31Å; E246-T250 WeakPolarHBondContact O-CB 3.4Å; E246-T250 PolarHBondContact O-N 3.35Å; E246-T250 PolarHBondContact O-OG1 3.18Å; I247-T250 PolarHBondContact O-N 3.18Å; F248-T250 VanDerWaalsContact C-N 3.3Å; F248-T250 PolarHBondContact O-N 3.02Å; T250-A252 VanDerWaalsContact C-N 3.33Å; T250-A252 PolarHBondContact O-N 3.34Å; T250-Y253 WeakPolarHBondContact O-CB 3.31Å; T250-Y253 PolarHBondContact O-N 3.21Å; T250-D254 VanDerWaalsContact O-CG 3.28Å; T250-D254 PolarHBondContact O-N 3.01Å |
| 251 | A | 97.2 | Very high | 95 | Very high | 44 Ų | 44 | 50 Ų | 50 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I247 F248 Y253 D254 D255 | I247-A251 WeakPolarHBondContact O-CB 3.21Å; I247-A251 PolarHBondContact O-N 3.41Å; F248-A251 PolarHBondContact O-N 2.86Å; A251-Y253 VanDerWaalsContact C-N 3.33Å; A251-Y253 PolarHBondContact O-N 3.45Å; A251-D254 PolarHBondContact O-N 3.41Å; A251-D255 PolarHBondContact O-N 2.89Å |
| 252 | A | 97.2 | Very high | 95.3 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 5% | 0.05 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F217 F248 T250 L256 T311 | F217-A252 HydrophobicContact CD1-CB 3.84Å; F217-A252 HydrophobicContact CE1-CB 3.55Å; F248-A252 WeakPolarHBondContact O-CB 3.19Å; F248-A252 PolarHBondContact O-N 3.28Å; T250-A252 VanDerWaalsContact C-N 3.33Å; T250-A252 PolarHBondContact O-N 3.34Å; A252-L256 VanDerWaalsContact O-CG 3.22Å; A252-L256 WeakPolarHBondContact O-CG 3.45Å; A252-L256 PolarHBondContact O-N 3.44Å; A252-L256 VanDerWaalsContact O-N 3.15Å; A252-T311 HydrophobicContact CB-CG2 3.76Å |
| 253 | Y | 97.7 | Very high | 95.6 | Very high | 18 Ų | 18 | 50.5 Ų | 50.5 | 7% | 0.071 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 173.6 | 170.9 | -93.1 | 0 | 0 | 0 | 111.9 | V214 F217 N218 K221 V249 T250 A251 D255 L256 M257 | V214-Y253 HydrophobicContact CG1-CD2 4.48Å; V214-Y253 HydrophobicContact CG1-CE2 3.74Å; F217-Y253 HydrophobicContact CB-CD2 4.08Å; N218-Y253 HydrophobicContact CB-CD2 4.35Å; N218-Y253 HydrophobicContact CB-CE2 3.92Å; K221-Y253 HydrophobicContact CD-CD1 4.28Å; K221-Y253 HydrophobicContact CD-CD2 4.36Å; K221-Y253 HydrophobicContact CD-CG 3.95Å; V249-Y253 WeakPolarHBondContact O-CB 3.37Å; V249-Y253 PolarHBondContact O-N 2.84Å; T250-Y253 WeakPolarHBondContact O-CB 3.31Å; T250-Y253 PolarHBondContact O-N 3.21Å; A251-Y253 VanDerWaalsContact C-N 3.33Å; A251-Y253 PolarHBondContact O-N 3.45Å; Y253-D255 PolarHBondContact O-N 3.47Å; Y253-L256 PolarHBondContact O-N 2.99Å; Y253-M257 HydrophobicContact CD1-CG 4.31Å; Y253-M257 HydrophobicContact CE1-CG 3.86Å; Y253-M257 HydrophobicContact CE2-CG 4.17Å; Y253-M257 WeakPolarHBondContact O-CG 3.44Å; Y253-M257 PolarHBondContact O-N 3.4Å |
| 254 | D | 97.4 | Very high | 95.8 | Very high | 82 Ų | 82 | 47.7 Ų | 47.7 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | -179 | -64.7 | -24.2 | 0 | 0 | 0 | 111.3 | T250 A251 L256 M257 E258 | T250-D254 VanDerWaalsContact O-CG 3.28Å; T250-D254 PolarHBondContact O-N 3.01Å; A251-D254 PolarHBondContact O-N 3.41Å; D254-L256 PolarHBondContact O-N 3.35Å; D254-M257 PolarHBondContact O-N 3.49Å; D254-E258 WeakPolarHBondContact O-CB 3.31Å; D254-E258 PolarHBondContact O-N 3.07Å |
| 255 | D | 96.9 | Very high | 95.9 | Very high | 95 Ų | 95 | 47.7 Ų | 47.7 | 51% | 0.508 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 175.3 | -74 | -19.8 | 0 | 0 | 0 | 112.2 | A251 Y253 E258 C259 | A251-D255 PolarHBondContact O-N 2.89Å; Y253-D255 PolarHBondContact O-N 3.47Å; D255-E258 PolarHBondContact O-N 3.26Å; D255-C259 PolarHBondContact O-N 2.89Å; D255-C259 PolarHBondContact O-SG 2.97Å |
| 256 | L | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 176.2 | -69.5 | 169.1 | 0 | 0 | 0 | 111.8 | L210 A213 V214 F217 A252 Y253 D254 C259 S260 V308 T311 | L210-L256 HydrophobicContact CD2-CD2 4.04Å; A213-L256 HydrophobicContact CB-CD1 3.79Å; A213-L256 HydrophobicContact CB-CD2 4.08Å; V214-L256 HydrophobicContact CG2-CB 3.99Å; F217-L256 HydrophobicContact CB-CD1 4.37Å; F217-L256 HydrophobicContact CD1-CD1 4.38Å; F217-L256 HydrophobicContact CD2-CD1 3.71Å; F217-L256 HydrophobicContact CE2-CD1 4.12Å; F217-L256 HydrophobicContact CG-CD1 3.87Å; A252-L256 VanDerWaalsContact O-CG 3.22Å; A252-L256 WeakPolarHBondContact O-CG 3.45Å; A252-L256 PolarHBondContact O-N 3.44Å; A252-L256 VanDerWaalsContact O-N 3.15Å; Y253-L256 PolarHBondContact O-N 2.99Å; D254-L256 PolarHBondContact O-N 3.35Å; L256-C259 WeakPolarHBondContact O-CB 3.41Å; L256-C259 PolarHBondContact O-N 3.03Å; L256-S260 PolarHBondContact O-N 3.06Å; L256-S260 VanDerWaalsContact O-N 3.08Å; L256-V308 HydrophobicContact CD2-CB 4.42Å; L256-V308 HydrophobicContact CD2-CG2 3.77Å; L256-T311 HydrophobicContact CD1-CG2 3.86Å; L256-T311 HydrophobicContact CD2-CG2 4.46Å; L256-T311 HydrophobicContact CG-CG2 4.23Å |
| 257 | M | 96.9 | Very high | 96.2 | Very high | 78 Ų | 78 | 48 Ų | 48 | 38% | 0.384 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 174.9 | -78.5 | -65.8 | -72.7 | 0 | 0 | 111.6 | V214 Y253 D254 S260 R261 | V214-M257 HydrophobicContact CB-SD 4.32Å; V214-M257 HydrophobicContact CG1-CG 4.28Å; V214-M257 HydrophobicContact CG1-SD 3.48Å; V214-M257 WeakPolarHBondContact CG1-SD 3.19Å; V214-M257 HydrophobicContact CG2-CG 4.15Å; V214-M257 HydrophobicContact CG2-SD 3.79Å; Y253-M257 HydrophobicContact CD1-CG 4.31Å; Y253-M257 HydrophobicContact CE1-CG 3.86Å; Y253-M257 HydrophobicContact CE2-CG 4.17Å; Y253-M257 WeakPolarHBondContact O-CG 3.44Å; Y253-M257 PolarHBondContact O-N 3.4Å; D254-M257 PolarHBondContact O-N 3.49Å; M257-S260 WeakPolarHBondContact O-CB 3.39Å; M257-S260 PolarHBondContact O-N 3.21Å; M257-R261 PolarHBondContact O-N 3.26Å |
| 258 | E | 96.4 | Very high | 96.3 | Very high | 74 Ų | 74 | 47.9 Ų | 47.9 | 35% | 0.346 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 175.9 | 177.6 | 56.5 | -164 | 0 | 0 | 111.5 | D254 D255 S260 R261 Q262 | D254-E258 WeakPolarHBondContact O-CB 3.31Å; D254-E258 PolarHBondContact O-N 3.07Å; D255-E258 PolarHBondContact O-N 3.26Å; E258-S260 VanDerWaalsContact C-N 3.28Å; E258-S260 PolarHBondContact O-N 2.94Å; E258-R261 VanDerWaalsContact CD-NH2 3.28Å; E258-R261 PolarHBondContact O-N 3Å; E258-R261 IonicContact OE1-CZ 3.55Å; E258-R261 IonicContact OE1-NE 3.47Å; E258-R261 IonicContact OE1-NH2 2.82Å; E258-R261 PolarHBondContact OE1-NH2 2.89Å; E258-R261 IonicContact OE2-CZ 3.51Å; E258-R261 IonicContact OE2-NE 3.74Å; E258-R261 PolarHBondContact OE2-NE 3.19Å; E258-R261 IonicContact OE2-NH2 3.39Å; E258-R261 PolarHBondContact OE2-NH2 2.89Å; E258-Q262 HydrophobicContact CG-CG 4.43Å; E258-Q262 VanDerWaalsContact O-CG 3.25Å; E258-Q262 WeakPolarHBondContact O-CG 3.45Å; E258-Q262 PolarHBondContact O-N 3.34Å; E258-Q262 WeakPolarHBondContact OE1-CG 3.42Å; E258-Q262 PolarHBondContact OE1-NE2 3.46Å |
| 259 | C | 96.3 | Very high | 96.3 | Very high | 17 Ų | 17 | 48.3 Ų | 48.3 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.1 | -42.8 | 172.8 | -72.5 | 0 | 0 | 0 | 0 | 112 | L210 D255 L256 Q262 R304 | L210-C259 HydrophobicContact CD1-CB 4.16Å; L210-C259 HydrophobicContact CD2-CB 3.73Å; D255-C259 PolarHBondContact O-N 2.89Å; D255-C259 PolarHBondContact O-SG 2.97Å; L256-C259 WeakPolarHBondContact O-CB 3.41Å; L256-C259 PolarHBondContact O-N 3.03Å; C259-Q262 PolarHBondContact O-N 3.39Å; C259-R304 HydrophobicContact CB-CG 4.28Å |
| 260 | S | 95.3 | Very high | 96.2 | Very high | 48 Ų | 48 | 48.6 Ų | 48.6 | 34% | 0.336 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 177 | -174.5 | 0 | 0 | 0 | 0 | 112 | L256 M257 E258 Q262 I263 | L256-S260 PolarHBondContact O-N 3.06Å; L256-S260 VanDerWaalsContact O-N 3.08Å; M257-S260 WeakPolarHBondContact O-CB 3.39Å; M257-S260 PolarHBondContact O-N 3.21Å; E258-S260 VanDerWaalsContact C-N 3.28Å; E258-S260 PolarHBondContact O-N 2.94Å; S260-Q262 VanDerWaalsContact C-N 3.33Å; S260-Q262 PolarHBondContact O-N 3.41Å; S260-I263 PolarHBondContact O-N 3.06Å |
| 261 | R | 94 | Very high | 96.1 | Very high | 140 Ų | 140 | 49.3 Ų | 49.3 | 53% | 0.528 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 178.7 | -166.7 | -174.3 | 67.4 | 75 | -0.2 | 112.3 | M257 E258 I263 G264 | M257-R261 PolarHBondContact O-N 3.26Å; E258-R261 VanDerWaalsContact CD-NH2 3.28Å; E258-R261 PolarHBondContact O-N 3Å; E258-R261 IonicContact OE1-CZ 3.55Å; E258-R261 IonicContact OE1-NE 3.47Å; E258-R261 IonicContact OE1-NH2 2.82Å; E258-R261 PolarHBondContact OE1-NH2 2.89Å; E258-R261 IonicContact OE2-CZ 3.51Å; E258-R261 IonicContact OE2-NE 3.74Å; E258-R261 PolarHBondContact OE2-NE 3.19Å; E258-R261 IonicContact OE2-NH2 3.39Å; E258-R261 PolarHBondContact OE2-NH2 2.89Å; R261-I263 PolarHBondContact O-N 3.4Å; R261-G264 PolarHBondContact O-N 3.23Å |
| 262 | Q | 94.9 | Very high | 96 | Very high | 56 Ų | 56 | 53.1 Ų | 53.1 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68 | -19.9 | -175.6 | -71.9 | -72.7 | -12.4 | 0 | 0 | 113.9 | E258 C259 S260 G264 V265 | E258-Q262 HydrophobicContact CG-CG 4.43Å; E258-Q262 VanDerWaalsContact O-CG 3.25Å; E258-Q262 WeakPolarHBondContact O-CG 3.45Å; E258-Q262 PolarHBondContact O-N 3.34Å; E258-Q262 WeakPolarHBondContact OE1-CG 3.42Å; E258-Q262 PolarHBondContact OE1-NE2 3.46Å; C259-Q262 PolarHBondContact O-N 3.39Å; S260-Q262 VanDerWaalsContact C-N 3.33Å; S260-Q262 PolarHBondContact O-N 3.41Å; Q262-G264 PolarHBondContact O-N 3.29Å; Q262-V265 WeakPolarHBondContact O-CB 3.25Å; Q262-V265 PolarHBondContact O-N 3.32Å; Q262-V265 VanDerWaalsContact O-N 3.12Å |
| 263 | I | 95.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.9 | -37.6 | 172.6 | -64.1 | 176.4 | 0 | 0 | 0 | 111.2 | H203 L206 R207 L210 S260 R261 V265 Y267 | H203-I263 HydrophobicContact CB-CG2 4.13Å; L206-I263 HydrophobicContact CD2-CD1 3.95Å; L206-I263 HydrophobicContact CD2-CG1 4.23Å; L206-I263 HydrophobicContact CG-CD1 4.14Å; R207-I263 HydrophobicContact CG-CD1 3.65Å; L210-I263 HydrophobicContact CD1-CD1 3.93Å; S260-I263 PolarHBondContact O-N 3.06Å; R261-I263 PolarHBondContact O-N 3.4Å; I263-V265 VanDerWaalsContact C-N 3.31Å; I263-V265 PolarHBondContact O-N 2.9Å; I263-Y267 HydrophobicContact CG2-CE2 4.09Å; I263-Y267 VanDerWaalsContact O-CD2 3.28Å; I263-Y267 WeakPolarHBondContact O-CD2 3.39Å |
| 264 | G | 94.8 | Very high | 95.5 | Very high | 41 Ų | 41 | 53.9 Ų | 53.9 | 42% | 0.423 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.7 | -29 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R261 Q262 Y266 Y267 L268 | R261-G264 PolarHBondContact O-N 3.23Å; Q262-G264 PolarHBondContact O-N 3.29Å; G264-Y266 PolarHBondContact O-N 2.77Å; G264-Y267 PolarHBondContact O-N 3.4Å; G264-L268 PolarHBondContact O-N 2.69Å |
| 265 | V | 96.1 | Very high | 95.1 | Very high | 39 Ų | 39 | 52.9 Ų | 52.9 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.7 | -40.5 | -177 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | Q262 I263 Y267 L268 E269 | Q262-V265 WeakPolarHBondContact O-CB 3.25Å; Q262-V265 PolarHBondContact O-N 3.32Å; Q262-V265 VanDerWaalsContact O-N 3.12Å; I263-V265 VanDerWaalsContact C-N 3.31Å; I263-V265 PolarHBondContact O-N 2.9Å; V265-Y267 PolarHBondContact O-N 3.01Å; V265-L268 WeakPolarHBondContact O-CB 3.39Å; V265-L268 PolarHBondContact O-N 2.89Å; V265-E269 HydrophobicContact CG1-CG 4.23Å; V265-E269 WeakPolarHBondContact O-CG 3.5Å; V265-E269 PolarHBondContact O-N 2.86Å |
| 266 | Y | 96 | Very high | 94.8 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -53.3 | -51.2 | 175.5 | 165.2 | -103.7 | 0 | 0 | 0 | 112.6 | I199 H203 G264 L268 E269 R270 L293 D294 E297 | I199-Y266 HydrophobicContact CB-CE1 4.37Å; I199-Y266 HydrophobicContact CG2-CD1 4.13Å; I199-Y266 HydrophobicContact CG2-CE1 3.49Å; I199-Y266 VanDerWaalsContact CG2-CE1 3.49Å; I199-Y266 HydrophobicContact CG2-CE2 4.35Å; H203-Y266 AromaticContact CE1-CD1 3.47Å; H203-Y266 VanDerWaalsContact CE1-CD1 3.47Å; H203-Y266 WeakPolarHBondContact CE1-CD1 3.45Å; H203-Y266 AromaticContact CE1-CG 3.98Å; G264-Y266 PolarHBondContact O-N 2.77Å; Y266-L268 VanDerWaalsContact C-N 3.28Å; Y266-L268 PolarHBondContact O-N 2.9Å; Y266-E269 PolarHBondContact O-N 3.14Å; Y266-R270 VanDerWaalsContact O-CB 3.27Å; Y266-R270 WeakPolarHBondContact O-CB 3.35Å; Y266-R270 PolarHBondContact O-N 2.64Å; Y266-R270 VanDerWaalsContact OH-CD 3.28Å; Y266-R270 WeakPolarHBondContact OH-CD 3.47Å; Y266-L293 HydrophobicContact CD2-CD2 4.33Å; Y266-L293 HydrophobicContact CD2-CG 4.16Å; Y266-L293 HydrophobicContact CE2-CD2 4.27Å; Y266-L293 HydrophobicContact CE2-CG 4.1Å; Y266-D294 WeakPolarHBondContact CE2-OD1 3.46Å; Y266-D294 PolarHBondContact OH-OD1 2.96Å; Y266-E297 HydrophobicContact CD1-CG 4.24Å; Y266-E297 HydrophobicContact CD2-CB 3.47Å; Y266-E297 VanDerWaalsContact CD2-CB 3.47Å; Y266-E297 HydrophobicContact CD2-CG 3.44Å; Y266-E297 VanDerWaalsContact CD2-CG 3.44Å; Y266-E297 HydrophobicContact CE2-CB 3.63Å; Y266-E297 HydrophobicContact CE2-CG 3.9Å; Y266-E297 HydrophobicContact CG-CB 4.19Å; Y266-E297 HydrophobicContact CG-CG 3.61Å |
| 267 | Y | 96.2 | Very high | 94.3 | Very high | 55 Ų | 55 | 52.6 Ų | 52.6 | 22% | 0.216 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -36.3 | -178 | -66.6 | -74.3 | 0 | 0 | 0 | 112 | H203 I263 G264 V265 A271 | H203-Y267 AromaticContact CE1-CE2 3.97Å; H203-Y267 AromaticContact ND1-CE2 3.53Å; H203-Y267 AromaticContact ND1-CZ 3.42Å; H203-Y267 PolarHBondContact ND1-OH 3.23Å; I263-Y267 HydrophobicContact CG2-CE2 4.09Å; I263-Y267 VanDerWaalsContact O-CD2 3.28Å; I263-Y267 WeakPolarHBondContact O-CD2 3.39Å; G264-Y267 PolarHBondContact O-N 3.4Å; V265-Y267 PolarHBondContact O-N 3.01Å; Y267-A271 VanDerWaalsContact O-CB 3.27Å; Y267-A271 WeakPolarHBondContact O-CB 3.31Å; Y267-A271 PolarHBondContact O-N 3.5Å |
| 268 | L | 96.2 | Very high | 93.6 | Very high | 100 Ų | 100 | 50.5 Ų | 50.5 | 52% | 0.524 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.6 | -46.5 | 175.7 | -179.4 | 64 | 0 | 0 | 0 | 111.8 | G264 V265 Y266 A271 K272 | G264-L268 PolarHBondContact O-N 2.69Å; V265-L268 WeakPolarHBondContact O-CB 3.39Å; V265-L268 PolarHBondContact O-N 2.89Å; Y266-L268 VanDerWaalsContact C-N 3.28Å; Y266-L268 PolarHBondContact O-N 2.9Å; L268-A271 PolarHBondContact O-N 2.7Å; L268-K272 WeakPolarHBondContact O-CG 3.49Å; L268-K272 PolarHBondContact O-N 2.94Å; L268-K272 VanDerWaalsContact O-N 3.13Å |
| 269 | E | 96.6 | Very high | 93.1 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 36% | 0.36 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 177 | -71 | -172.4 | 167.4 | 0 | 0 | 111.5 | V265 Y266 A271 K272 I273 L293 | V265-E269 HydrophobicContact CG1-CG 4.23Å; V265-E269 WeakPolarHBondContact O-CG 3.5Å; V265-E269 PolarHBondContact O-N 2.86Å; Y266-E269 PolarHBondContact O-N 3.14Å; E269-A271 PolarHBondContact O-N 3.14Å; E269-K272 WeakPolarHBondContact O-CB 3.4Å; E269-K272 PolarHBondContact O-N 2.92Å; E269-I273 PolarHBondContact O-N 3.44Å; E269-I273 VanDerWaalsContact O-N 3.12Å; E269-L293 HydrophobicContact CB-CD1 4.3Å; E269-L293 HydrophobicContact CB-CD2 4.08Å; E269-L293 WeakPolarHBondContact OE2-CD1 3.4Å |
| 270 | R | 94.6 | Very high | 92.7 | Very high | 7 Ų | 7 | 59.1 Ų | 59.1 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61 | -45.5 | 177.2 | -169.8 | 172.8 | -176.4 | -80.9 | -2.6 | 111.8 | E194 N195 Y266 K272 I273 I274 L290 L293 D294 | E194-R270 PolarHBondContact O-NH1 3.24Å; E194-R270 VanDerWaalsContact O-NH1 3.08Å; E194-R270 PolarHBondContact O-NH2 3.34Å; N195-R270 PolarHBondContact OD1-NH1 3.19Å; Y266-R270 VanDerWaalsContact O-CB 3.27Å; Y266-R270 WeakPolarHBondContact O-CB 3.35Å; Y266-R270 PolarHBondContact O-N 2.64Å; Y266-R270 VanDerWaalsContact OH-CD 3.28Å; Y266-R270 WeakPolarHBondContact OH-CD 3.47Å; R270-K272 VanDerWaalsContact C-N 3.3Å; R270-K272 PolarHBondContact O-N 3.37Å; R270-I273 PolarHBondContact O-N 3.28Å; R270-I274 HydrophobicContact CG-CD1 4.11Å; R270-I274 WeakPolarHBondContact O-CG1 3.01Å; R270-I274 PolarHBondContact O-N 3.37Å; R270-L290 HydrophobicContact CG-CD1 3.63Å; R270-L293 HydrophobicContact CB-CD2 3.73Å; R270-L293 HydrophobicContact CG-CD2 4.32Å; R270-D294 IonicContact NE-OD1 3.49Å; R270-D294 PolarHBondContact NE-OD1 2.67Å |
| 271 | A | 93.6 | Very high | 92 | Very high | 55 Ų | 55 | 58 Ų | 58 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.5 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y267 L268 E269 I274 C275 | Y267-A271 VanDerWaalsContact O-CB 3.27Å; Y267-A271 WeakPolarHBondContact O-CB 3.31Å; Y267-A271 PolarHBondContact O-N 3.5Å; L268-A271 PolarHBondContact O-N 2.7Å; E269-A271 PolarHBondContact O-N 3.14Å; A271-I274 PolarHBondContact O-N 3.46Å; A271-C275 WeakPolarHBondContact O-CB 3.25Å; A271-C275 PolarHBondContact O-N 3.08Å |
| 272 | K | 96.1 | Very high | 91.5 | Very high | 123 Ų | 123 | 59.1 Ų | 59.1 | 54% | 0.535 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 174.7 | -70.9 | 171.1 | -177.1 | 175.8 | 0 | 111.7 | L268 E269 R270 C275 M276 | L268-K272 WeakPolarHBondContact O-CG 3.49Å; L268-K272 PolarHBondContact O-N 2.94Å; L268-K272 VanDerWaalsContact O-N 3.13Å; E269-K272 WeakPolarHBondContact O-CB 3.4Å; E269-K272 PolarHBondContact O-N 2.92Å; R270-K272 VanDerWaalsContact C-N 3.3Å; R270-K272 PolarHBondContact O-N 3.37Å; K272-C275 PolarHBondContact O-N 3.31Å; K272-M276 WeakPolarHBondContact O-CG 3.31Å; K272-M276 PolarHBondContact O-N 3.19Å; K272-M276 VanDerWaalsContact O-N 3.08Å |
| 273 | I | 93.1 | Very high | 91.2 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 7% | 0.072 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 177.5 | -60.9 | 167.8 | 0 | 0 | 0 | 110.8 | E269 R270 C275 M276 L277 T289 L290 L293 | E269-I273 PolarHBondContact O-N 3.44Å; E269-I273 VanDerWaalsContact O-N 3.12Å; R270-I273 PolarHBondContact O-N 3.28Å; I273-C275 VanDerWaalsContact C-N 3.34Å; I273-C275 PolarHBondContact O-N 3.2Å; I273-M276 HydrophobicContact CB-CE 4.43Å; I273-M276 HydrophobicContact CG1-CE 4.18Å; I273-M276 WeakPolarHBondContact O-CB 3.48Å; I273-M276 PolarHBondContact O-N 2.96Å; I273-M276 VanDerWaalsContact O-N 3.1Å; I273-L277 HydrophobicContact CG2-CD1 4.17Å; I273-L277 PolarHBondContact O-N 3.05Å; I273-T289 HydrophobicContact CD1-CG2 3.84Å; I273-T289 HydrophobicContact CG1-CG2 4.42Å; I273-L290 HydrophobicContact CG2-CB 3.88Å; I273-L290 HydrophobicContact CG2-CD1 4.38Å; I273-L293 HydrophobicContact CD1-CB 4.14Å; I273-L293 HydrophobicContact CD1-CD2 3.67Å; I273-L293 HydrophobicContact CD1-CG 4.43Å |
| 274 | I | 90.1 | Very high | 91 | Very high | 27 Ų | 27 | 67.5 Ų | 67.5 | 14% | 0.138 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 175.6 | -75.6 | 171.7 | 0 | 0 | 0 | 111.3 | I193 R270 A271 M276 L277 T278 L290 | I193-I274 HydrophobicContact CB-CD1 4.3Å; I193-I274 HydrophobicContact CB-CG2 4.24Å; I193-I274 HydrophobicContact CD1-CG2 4.06Å; I193-I274 HydrophobicContact CG1-CG2 4.38Å; I193-I274 HydrophobicContact CG2-CD1 3.76Å; I193-I274 HydrophobicContact CG2-CG1 4.1Å; R270-I274 HydrophobicContact CG-CD1 4.11Å; R270-I274 WeakPolarHBondContact O-CG1 3.01Å; R270-I274 PolarHBondContact O-N 3.37Å; A271-I274 PolarHBondContact O-N 3.46Å; I274-M276 VanDerWaalsContact C-N 3.26Å; I274-M276 PolarHBondContact O-N 3.12Å; I274-L277 WeakPolarHBondContact O-CB 3.48Å; I274-L277 PolarHBondContact O-N 2.66Å; I274-L277 VanDerWaalsContact O-N 3.08Å; I274-T278 WeakPolarHBondContact O-CG2 3.02Å; I274-T278 PolarHBondContact O-N 3.44Å; I274-L290 HydrophobicContact CG1-CD2 4.22Å |
| 275 | C | 90 | Very high | 91 | Very high | 60 Ų | 60 | 70.7 Ų | 70.7 | 41% | 0.405 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.9 | -32.2 | 175.8 | -177 | 0 | 0 | 0 | 0 | 112.8 | A271 K272 I273 T278 K279 | A271-C275 WeakPolarHBondContact O-CB 3.25Å; A271-C275 PolarHBondContact O-N 3.08Å; K272-C275 PolarHBondContact O-N 3.31Å; I273-C275 VanDerWaalsContact C-N 3.34Å; I273-C275 PolarHBondContact O-N 3.2Å; C275-T278 PolarHBondContact O-OG1 2.99Å; C275-K279 WeakPolarHBondContact O-CG 3.26Å |
| 276 | M | 91.5 | Very high | 90.8 | Very high | 87 Ų | 87 | 69.8 Ų | 69.8 | 43% | 0.429 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -72.8 | -38.9 | 171.7 | -66.5 | -174.6 | -69.5 | 0 | 0 | 111.7 | K272 I273 I274 T278 K279 Q280 L286 | K272-M276 WeakPolarHBondContact O-CG 3.31Å; K272-M276 PolarHBondContact O-N 3.19Å; K272-M276 VanDerWaalsContact O-N 3.08Å; I273-M276 HydrophobicContact CB-CE 4.43Å; I273-M276 HydrophobicContact CG1-CE 4.18Å; I273-M276 WeakPolarHBondContact O-CB 3.48Å; I273-M276 PolarHBondContact O-N 2.96Å; I273-M276 VanDerWaalsContact O-N 3.1Å; I274-M276 VanDerWaalsContact C-N 3.26Å; I274-M276 PolarHBondContact O-N 3.12Å; M276-T278 PolarHBondContact O-N 3.28Å; M276-K279 PolarHBondContact O-N 2.7Å; M276-Q280 PolarHBondContact O-N 2.94Å; M276-L286 HydrophobicContact CB-CD1 3.75Å; M276-L286 HydrophobicContact CB-CD2 3.96Å; M276-L286 HydrophobicContact CE-CD2 3.99Å; M276-L286 HydrophobicContact SD-CD2 4.3Å |
| 277 | L | 86.4 | Confident | 90.4 | Very high | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.016 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 176.8 | -80.1 | 167.8 | 0 | 0 | 0 | 112.7 | I273 I274 K279 Q280 P281 L286 W287 L290 | I273-L277 HydrophobicContact CG2-CD1 4.17Å; I273-L277 PolarHBondContact O-N 3.05Å; I274-L277 WeakPolarHBondContact O-CB 3.48Å; I274-L277 PolarHBondContact O-N 2.66Å; I274-L277 VanDerWaalsContact O-N 3.08Å; L277-K279 PolarHBondContact O-N 2.76Å; L277-Q280 CarbonylContact O-C 3.19Å; L277-Q280 PolarHBondContact O-N 3.49Å; L277-P281 WeakPolarHBondContact O-CA 3.39Å; L277-L286 HydrophobicContact CD2-CB 3.36Å; L277-L286 HydrophobicContact CD2-CD1 4.24Å; L277-L286 HydrophobicContact CD2-CG 4.46Å; L277-L286 HydrophobicContact CG-CB 3.78Å; L277-L286 HydrophobicContact CG-CD1 4.37Å; L277-W287 HydrophobicContact CD1-CD2 4.39Å; L277-W287 HydrophobicContact CD1-CE3 4.38Å; L277-W287 HydrophobicContact CD2-CD2 3.88Å; L277-W287 HydrophobicContact CD2-CG 3.86Å; L277-W287 HydrophobicContact CD2-CZ2 4.44Å; L277-L290 HydrophobicContact CD1-CB 4.37Å; L277-L290 HydrophobicContact CD1-CD2 3.6Å |
| 278 | T | 82.1 | Confident | 90.2 | Very high | 34 Ų | 34 | 76 Ų | 76 | 21% | 0.209 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.1 | -31.2 | 175.7 | 58.5 | 0 | 0 | 0 | 0 | 112.2 | Y189 I274 C275 M276 | Y189-T278 HydrophobicContact CD1-CG2 3.6Å; Y189-T278 HydrophobicContact CD2-CG2 4.36Å; Y189-T278 HydrophobicContact CE1-CG2 4.34Å; Y189-T278 HydrophobicContact CG-CG2 3.64Å; I274-T278 WeakPolarHBondContact O-CG2 3.02Å; I274-T278 PolarHBondContact O-N 3.44Å; C275-T278 PolarHBondContact O-OG1 2.99Å; M276-T278 PolarHBondContact O-N 3.28Å |
| 279 | K | 86 | Confident | 90.1 | Very high | 153 Ų | 153 | 74.2 Ų | 74.2 | 67% | 0.665 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -79.3 | -31.5 | 173.9 | -62.3 | 175.8 | -172 | -178.8 | 0 | 112.8 | C275 M276 L277 | C275-K279 WeakPolarHBondContact O-CG 3.26Å; M276-K279 PolarHBondContact O-N 2.7Å; L277-K279 PolarHBondContact O-N 2.76Å |
| 280 | Q | 87.3 | Confident | 89.9 | Confident | 118 Ų | 118 | 70.5 Ų | 70.5 | 55% | 0.551 | 35% | 0.35 | S | S | * | . | trans | -134.5 | 67.1 | -174.8 | -62.5 | -178.4 | -0.9 | 0 | 0 | 111.8 | M276 L277 L282 S283 L286 | M276-Q280 PolarHBondContact O-N 2.94Å; L277-Q280 CarbonylContact O-C 3.19Å; L277-Q280 PolarHBondContact O-N 3.49Å; Q280-L282 PolarHBondContact O-N 3.46Å; Q280-L282 VanDerWaalsContact O-N 3.13Å; Q280-S283 WeakPolarHBondContact O-CB 3.49Å; Q280-S283 PolarHBondContact O-N 2.85Å; Q280-L286 HydrophobicContact CB-CD1 4.01Å | ||
| 281 | P | 81.8 | Confident | 89.6 | Confident | 25 Ų | 25 | 72 Ų | 72 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -24.2 | -171.4 | 23.6 | -34.9 | 0 | 0 | 0 | 114.1 | C118 F121 L277 S283 W287 | C118-P281 HydrophobicContact CB-CB 3.85Å; C118-P281 WeakPolarHBondContact SG-CB 3.28Å; F121-P281 HydrophobicContact CD2-CG 4.44Å; L277-P281 WeakPolarHBondContact O-CA 3.39Å; P281-S283 VanDerWaalsContact C-N 3.34Å; P281-W287 PolarHBondContact O-NE1 2.88Å |
| 282 | L | 83 | Confident | 89.6 | Confident | 164 Ų | 164 | 77.4 Ų | 77.4 | 86% | 0.859 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -5.5 | 179.4 | -59.8 | 177.1 | 0 | 0 | 0 | 113.4 | Q280 R284 | Q280-L282 PolarHBondContact O-N 3.46Å; Q280-L282 VanDerWaalsContact O-N 3.13Å; L282-R284 PolarHBondContact O-N 3.26Å |
| 283 | S | 88.4 | Confident | 89.5 | Confident | 29 Ų | 29 | 72 Ų | 72 | 20% | 0.203 | 34% | 0.342 | C | S | . | . | trans | -72.8 | 100.9 | -178.3 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | Q280 P281 D285 L286 W287 | Q280-S283 WeakPolarHBondContact O-CB 3.49Å; Q280-S283 PolarHBondContact O-N 2.85Å; P281-S283 VanDerWaalsContact C-N 3.34Å; S283-D285 PolarHBondContact O-N 3.45Å; S283-L286 PolarHBondContact O-N 3.27Å; S283-L286 WeakPolarHBondContact OG-CG 3.46Å; S283-L286 PolarHBondContact OG-N 3.4Å; S283-W287 PolarHBondContact O-N 3.29Å | ||
| 284 | R | 91.7 | Very high | 89.5 | Confident | 203 Ų | 203 | 71.9 Ų | 71.9 | 77% | 0.766 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.2 | -33.2 | 176.8 | -69.3 | -175.2 | 176.2 | -178.3 | -1.2 | 112.4 | L282 W287 K288 | L282-R284 PolarHBondContact O-N 3.26Å; R284-W287 PolarHBondContact O-N 3.08Å; R284-K288 WeakPolarHBondContact O-CG 3.28Å; R284-K288 PolarHBondContact O-N 3.42Å |
| 285 | D | 94.5 | Very high | 89.5 | Confident | 108 Ų | 108 | 79.1 Ų | 79.1 | 58% | 0.578 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -69.4 | -40.4 | -179 | -64.1 | -28.2 | 0 | 0 | 0 | 111.3 | S283 W287 K288 T289 | S283-D285 PolarHBondContact O-N 3.45Å; D285-W287 VanDerWaalsContact C-N 3.32Å; D285-W287 PolarHBondContact O-N 3.48Å; D285-K288 WeakPolarHBondContact O-CB 3.47Å; D285-K288 PolarHBondContact O-N 3.33Å; D285-K288 VanDerWaalsContact O-N 3.17Å; D285-T289 WeakPolarHBondContact O-CB 3.43Å; D285-T289 PolarHBondContact O-N 3.49Å; D285-T289 PolarHBondContact O-OG1 2.84Å |
| 286 | L | 91.5 | Very high | 89.7 | Confident | 21 Ų | 21 | 80.5 Ų | 80.5 | 11% | 0.11 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62 | -39.5 | 174.4 | -70.3 | 178.9 | 0 | 0 | 0 | 112.3 | M276 L277 Q280 S283 T289 L290 | M276-L286 HydrophobicContact CB-CD1 3.75Å; M276-L286 HydrophobicContact CB-CD2 3.96Å; M276-L286 HydrophobicContact CE-CD2 3.99Å; M276-L286 HydrophobicContact SD-CD2 4.3Å; L277-L286 HydrophobicContact CD2-CB 3.36Å; L277-L286 HydrophobicContact CD2-CD1 4.24Å; L277-L286 HydrophobicContact CD2-CG 4.46Å; L277-L286 HydrophobicContact CG-CB 3.78Å; L277-L286 HydrophobicContact CG-CD1 4.37Å; Q280-L286 HydrophobicContact CB-CD1 4.01Å; S283-L286 PolarHBondContact O-N 3.27Å; S283-L286 WeakPolarHBondContact OG-CG 3.46Å; S283-L286 PolarHBondContact OG-N 3.4Å; L286-T289 PolarHBondContact O-N 3.09Å; L286-L290 PolarHBondContact O-N 3.08Å |
| 287 | W | 88.9 | Confident | 89.8 | Confident | 48 Ų | 48 | 76.9 Ų | 76.9 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 174.3 | -76.3 | 108.4 | 0 | 0 | 0 | 112.2 | M112 I117 L277 P281 S283 R284 D285 K291 | M112-W287 HydrophobicContact CE-CE3 4.34Å; M112-W287 HydrophobicContact CE-CH2 4.47Å; M112-W287 HydrophobicContact CE-CZ3 3.6Å; M112-W287 HydrophobicContact SD-CE3 4.38Å; M112-W287 HydrophobicContact SD-CZ3 4.11Å; I117-W287 HydrophobicContact CB-CH2 4.49Å; I117-W287 HydrophobicContact CG2-CH2 4.03Å; I117-W287 HydrophobicContact CG2-CZ2 4.4Å; L277-W287 HydrophobicContact CD1-CD2 4.39Å; L277-W287 HydrophobicContact CD1-CE3 4.38Å; L277-W287 HydrophobicContact CD2-CD2 3.88Å; L277-W287 HydrophobicContact CD2-CG 3.86Å; L277-W287 HydrophobicContact CD2-CZ2 4.44Å; P281-W287 PolarHBondContact O-NE1 2.88Å; S283-W287 PolarHBondContact O-N 3.29Å; R284-W287 PolarHBondContact O-N 3.08Å; D285-W287 VanDerWaalsContact C-N 3.32Å; D285-W287 PolarHBondContact O-N 3.48Å; W287-K291 WeakPolarHBondContact O-CG 3.48Å; W287-K291 PolarHBondContact O-N 3.27Å |
| 288 | K | 90.9 | Very high | 90.1 | Very high | 139 Ų | 139 | 77.8 Ų | 77.8 | 60% | 0.604 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -65.8 | -41.8 | 173.7 | -72.4 | 178.1 | -176.1 | 174.9 | 0 | 111.8 | R284 D285 L290 K291 W292 | R284-K288 WeakPolarHBondContact O-CG 3.28Å; R284-K288 PolarHBondContact O-N 3.42Å; D285-K288 WeakPolarHBondContact O-CB 3.47Å; D285-K288 PolarHBondContact O-N 3.33Å; D285-K288 VanDerWaalsContact O-N 3.17Å; K288-L290 VanDerWaalsContact C-N 3.34Å; K288-L290 PolarHBondContact O-N 2.93Å; K288-K291 WeakPolarHBondContact O-CB 3.34Å; K288-K291 PolarHBondContact O-N 2.58Å; K288-W292 WeakPolarHBondContact O-CB 3.28Å; K288-W292 PolarHBondContact O-N 2.84Å |
| 289 | T | 94.3 | Very high | 90.6 | Very high | 63 Ų | 63 | 80.8 Ų | 80.8 | 39% | 0.387 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 178.1 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | I273 D285 L286 W292 L293 | I273-T289 HydrophobicContact CD1-CG2 3.84Å; I273-T289 HydrophobicContact CG1-CG2 4.42Å; D285-T289 WeakPolarHBondContact O-CB 3.43Å; D285-T289 PolarHBondContact O-N 3.49Å; D285-T289 PolarHBondContact O-OG1 2.84Å; L286-T289 PolarHBondContact O-N 3.09Å; T289-W292 PolarHBondContact O-N 3.25Å; T289-L293 WeakPolarHBondContact O-CB 3.44Å; T289-L293 PolarHBondContact O-N 3.5Å |
| 290 | L | 91.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 175.8 | -176.6 | 54.3 | 0 | 0 | 0 | 111.9 | M112 R270 I273 I274 L277 L286 K288 W292 L293 D294 | M112-L290 HydrophobicContact CE-CD2 3.3Å; M112-L290 HydrophobicContact CE-CG 4.28Å; M112-L290 HydrophobicContact SD-CD2 3.51Å; M112-L290 VanDerWaalsContact SD-CD2 3.51Å; M112-L290 HydrophobicContact SD-CG 3.89Å; R270-L290 HydrophobicContact CG-CD1 3.63Å; I273-L290 HydrophobicContact CG2-CB 3.88Å; I273-L290 HydrophobicContact CG2-CD1 4.38Å; I274-L290 HydrophobicContact CG1-CD2 4.22Å; L277-L290 HydrophobicContact CD1-CB 4.37Å; L277-L290 HydrophobicContact CD1-CD2 3.6Å; L286-L290 PolarHBondContact O-N 3.08Å; K288-L290 VanDerWaalsContact C-N 3.34Å; K288-L290 PolarHBondContact O-N 2.93Å; L290-W292 VanDerWaalsContact C-N 3.35Å; L290-W292 PolarHBondContact O-N 3.34Å; L290-L293 WeakPolarHBondContact O-CB 3.29Å; L290-L293 PolarHBondContact O-N 2.93Å; L290-D294 PolarHBondContact O-N 3.19Å; L290-D294 VanDerWaalsContact O-N 3.09Å |
| 291 | K | 89.5 | Confident | 91.4 | Very high | 39 Ų | 39 | 69.8 Ų | 69.8 | 17% | 0.17 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 175.3 | -77.7 | 170.1 | 163.7 | -175.4 | 0 | 112.9 | M109 N113 W287 K288 D294 R295 | M109-K291 HydrophobicContact CE-CB 4.02Å; M109-K291 HydrophobicContact CE-CD 3.52Å; M109-K291 HydrophobicContact CE-CG 3.96Å; M109-K291 HydrophobicContact SD-CB 3.56Å; M109-K291 VanDerWaalsContact SD-CB 3.56Å; M109-K291 HydrophobicContact SD-CD 3.81Å; M109-K291 HydrophobicContact SD-CG 3.54Å; M109-K291 VanDerWaalsContact SD-CG 3.54Å; N113-K291 PolarHBondContact OD1-NZ 3.4Å; W287-K291 WeakPolarHBondContact O-CG 3.48Å; W287-K291 PolarHBondContact O-N 3.27Å; K288-K291 WeakPolarHBondContact O-CB 3.34Å; K288-K291 PolarHBondContact O-N 2.58Å; K291-D294 PolarHBondContact O-N 3.39Å; K291-R295 PolarHBondContact O-N 2.86Å; K291-R295 VanDerWaalsContact O-N 3.08Å |
| 292 | W | 92.2 | Very high | 92 | Very high | 168 Ų | 168 | 70 Ų | 70 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.9 | -38.2 | 178 | -173 | 85.4 | 0 | 0 | 0 | 111.8 | K288 T289 L290 R295 K296 | K288-W292 WeakPolarHBondContact O-CB 3.28Å; K288-W292 PolarHBondContact O-N 2.84Å; T289-W292 PolarHBondContact O-N 3.25Å; L290-W292 VanDerWaalsContact C-N 3.35Å; L290-W292 PolarHBondContact O-N 3.34Å; W292-R295 PolarHBondContact O-N 2.86Å; W292-K296 HydrophobicContact CE3-CD 4.47Å; W292-K296 HydrophobicContact CH2-CD 3.83Å; W292-K296 HydrophobicContact CZ3-CD 3.73Å; W292-K296 VanDerWaalsContact O-CB 3.29Å; W292-K296 WeakPolarHBondContact O-CB 3.35Å; W292-K296 PolarHBondContact O-N 3.31Å |
| 293 | L | 94.8 | Very high | 92.6 | Very high | 9 Ų | 9 | 65 Ų | 65 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 173.9 | -177.9 | 70.5 | 0 | 0 | 0 | 111 | Y266 E269 R270 I273 T289 L290 R295 K296 E297 | Y266-L293 HydrophobicContact CD2-CD2 4.33Å; Y266-L293 HydrophobicContact CD2-CG 4.16Å; Y266-L293 HydrophobicContact CE2-CD2 4.27Å; Y266-L293 HydrophobicContact CE2-CG 4.1Å; E269-L293 HydrophobicContact CB-CD1 4.3Å; E269-L293 HydrophobicContact CB-CD2 4.08Å; E269-L293 WeakPolarHBondContact OE2-CD1 3.4Å; R270-L293 HydrophobicContact CB-CD2 3.73Å; R270-L293 HydrophobicContact CG-CD2 4.32Å; I273-L293 HydrophobicContact CD1-CB 4.14Å; I273-L293 HydrophobicContact CD1-CD2 3.67Å; I273-L293 HydrophobicContact CD1-CG 4.43Å; T289-L293 WeakPolarHBondContact O-CB 3.44Å; T289-L293 PolarHBondContact O-N 3.5Å; L290-L293 WeakPolarHBondContact O-CB 3.29Å; L290-L293 PolarHBondContact O-N 2.93Å; L293-R295 PolarHBondContact O-N 3.47Å; L293-K296 PolarHBondContact O-N 3.05Å; L293-E297 PolarHBondContact O-N 3.21Å |
| 294 | D | 92.6 | Very high | 93.1 | Very high | 11 Ų | 11 | 64.7 Ų | 64.7 | 6% | 0.059 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 178.8 | -73.1 | -4.8 | 0 | 0 | 0 | 111.6 | N196 I199 Y266 R270 L290 K291 E297 F298 | N196-D294 PolarHBondContact ND2-OD2 3.31Å; I199-D294 WeakPolarHBondContact CD1-O 3.43Å; Y266-D294 WeakPolarHBondContact CE2-OD1 3.46Å; Y266-D294 PolarHBondContact OH-OD1 2.96Å; R270-D294 IonicContact NE-OD1 3.49Å; R270-D294 PolarHBondContact NE-OD1 2.67Å; L290-D294 PolarHBondContact O-N 3.19Å; L290-D294 VanDerWaalsContact O-N 3.09Å; K291-D294 PolarHBondContact O-N 3.39Å; D294-E297 PolarHBondContact O-N 3.33Å; D294-F298 PolarHBondContact O-N 2.94Å |
| 295 | R | 90 | Very high | 93.3 | Very high | 179 Ų | 179 | 55 Ų | 55 | 68% | 0.675 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.6 | -43.1 | 175.7 | -177.5 | 176.3 | 178.8 | 166.6 | 1.9 | 112.4 | K291 W292 L293 E297 F298 I299 | K291-R295 PolarHBondContact O-N 2.86Å; K291-R295 VanDerWaalsContact O-N 3.08Å; W292-R295 PolarHBondContact O-N 2.86Å; L293-R295 PolarHBondContact O-N 3.47Å; R295-E297 VanDerWaalsContact C-N 3.29Å; R295-E297 PolarHBondContact O-N 3.31Å; R295-F298 PolarHBondContact O-N 3.21Å; R295-I299 HydrophobicContact CG-CD1 4.42Å; R295-I299 WeakPolarHBondContact O-CG1 3.27Å; R295-I299 PolarHBondContact O-N 3.49Å |
| 296 | K | 94.3 | Very high | 93.4 | Very high | 89 Ų | 89 | 53.6 Ų | 53.6 | 39% | 0.387 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.3 | -43.4 | 176 | 176.8 | -170.7 | 169 | -165.1 | 0 | 110.1 | W292 L293 I299 T300 | W292-K296 HydrophobicContact CE3-CD 4.47Å; W292-K296 HydrophobicContact CH2-CD 3.83Å; W292-K296 HydrophobicContact CZ3-CD 3.73Å; W292-K296 VanDerWaalsContact O-CB 3.29Å; W292-K296 WeakPolarHBondContact O-CB 3.35Å; W292-K296 PolarHBondContact O-N 3.31Å; L293-K296 PolarHBondContact O-N 3.05Å; K296-I299 PolarHBondContact O-N 3.2Å; K296-T300 WeakPolarHBondContact O-CB 3.49Å; K296-T300 PolarHBondContact O-N 3.47Å; K296-T300 PolarHBondContact O-OG1 3.13Å |
| 297 | E | 94.7 | Very high | 93.7 | Very high | 11 Ų | 11 | 54.4 Ų | 54.4 | 5% | 0.051 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.8 | -39.8 | -179.8 | -169.1 | 60.1 | -157.1 | 0 | 0 | 112 | I199 H203 Y266 L293 D294 R295 I299 T300 C301 R304 | I199-E297 HydrophobicContact CD1-CB 4.49Å; I199-E297 HydrophobicContact CG2-CB 4.45Å; I199-E297 HydrophobicContact CG2-CG 3.9Å; H203-E297 IonicContact CE1-OE1 2.66Å; H203-E297 IonicContact NE2-OE1 3.05Å; H203-E297 PolarHBondContact NE2-OE1 2.71Å; H203-E297 VanDerWaalsContact NE2-OE1 3.08Å; Y266-E297 HydrophobicContact CD1-CG 4.24Å; Y266-E297 HydrophobicContact CD2-CB 3.47Å; Y266-E297 VanDerWaalsContact CD2-CB 3.47Å; Y266-E297 HydrophobicContact CD2-CG 3.44Å; Y266-E297 VanDerWaalsContact CD2-CG 3.44Å; Y266-E297 HydrophobicContact CE2-CB 3.63Å; Y266-E297 HydrophobicContact CE2-CG 3.9Å; Y266-E297 HydrophobicContact CG-CB 4.19Å; Y266-E297 HydrophobicContact CG-CG 3.61Å; L293-E297 PolarHBondContact O-N 3.21Å; D294-E297 PolarHBondContact O-N 3.33Å; R295-E297 VanDerWaalsContact C-N 3.29Å; R295-E297 PolarHBondContact O-N 3.31Å; E297-I299 PolarHBondContact O-N 3.12Å; E297-T300 CarbonylContact O-C 3.57Å; E297-T300 PolarHBondContact O-N 2.9Å; E297-T300 VanDerWaalsContact O-N 3.14Å; E297-C301 WeakPolarHBondContact O-CB 3.28Å; E297-C301 PolarHBondContact O-N 3.28Å; E297-C301 PolarHBondContact O-SG 2.96Å; E297-R304 IonicContact OE1-CZ 2.76Å; E297-R304 IonicContact OE1-NH1 3.99Å; E297-R304 PolarHBondContact OE1-NH1 3.01Å; E297-R304 IonicContact OE1-NH2 3.77Å |
| 298 | F | 92 | Very high | 94.1 | Very high | 22 Ų | 22 | 52.2 Ų | 52.2 | 10% | 0.096 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56 | -50.2 | 174.4 | -175.6 | -91 | 0 | 0 | 0 | 112.1 | I98 I104 I199 F202 D294 R295 T300 C301 L302 | I98-F298 HydrophobicContact CG2-CZ 4.08Å; I104-F298 HydrophobicContact CD1-CE1 3.86Å; I104-F298 HydrophobicContact CD1-CZ 3.93Å; I104-F298 HydrophobicContact CG1-CE1 4.03Å; I104-F298 HydrophobicContact CG1-CZ 3.86Å; I199-F298 HydrophobicContact CD1-CB 3.76Å; I199-F298 HydrophobicContact CD1-CD2 4.24Å; F202-F298 AromaticContact CD1-CD2 3.67Å; F202-F298 HydrophobicContact CD1-CD2 3.67Å; F202-F298 AromaticContact CD1-CE2 3.62Å; F202-F298 HydrophobicContact CD1-CE2 3.62Å; F202-F298 HydrophobicContact CD1-CZ 4.42Å; F202-F298 AromaticContact CE1-CD2 3.88Å; F202-F298 HydrophobicContact CE1-CD2 3.88Å; F202-F298 AromaticContact CE1-CE2 3.64Å; F202-F298 HydrophobicContact CE1-CE2 3.64Å; F202-F298 HydrophobicContact CE1-CG 4.42Å; F202-F298 AromaticContact CE1-CZ 4Å; F202-F298 HydrophobicContact CE1-CZ 4Å; D294-F298 PolarHBondContact O-N 2.94Å; R295-F298 PolarHBondContact O-N 3.21Å; F298-T300 VanDerWaalsContact C-N 3.28Å; F298-T300 PolarHBondContact O-N 3.38Å; F298-C301 PolarHBondContact O-N 3.41Å; F298-L302 PolarHBondContact O-N 3.46Å; F298-L302 VanDerWaalsContact O-N 3.12Å |
| 299 | I | 92.1 | Very high | 94.5 | Very high | 98 Ų | 98 | 47.6 Ų | 47.6 | 50% | 0.503 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.8 | -39 | 177.5 | -63.4 | 169.9 | 0 | 0 | 0 | 110.5 | R295 K296 E297 L302 S303 | R295-I299 HydrophobicContact CG-CD1 4.42Å; R295-I299 WeakPolarHBondContact O-CG1 3.27Å; R295-I299 PolarHBondContact O-N 3.49Å; K296-I299 PolarHBondContact O-N 3.2Å; E297-I299 PolarHBondContact O-N 3.12Å; I299-L302 PolarHBondContact O-N 3.04Å; I299-S303 PolarHBondContact O-N 3.25Å |
| 300 | T | 95.9 | Very high | 94.6 | Very high | 39 Ų | 39 | 49.9 Ų | 49.9 | 24% | 0.239 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.7 | -40.1 | 179.2 | -52.9 | 0 | 0 | 0 | 0 | 111.3 | K296 E297 F298 S303 R304 | K296-T300 WeakPolarHBondContact O-CB 3.49Å; K296-T300 PolarHBondContact O-N 3.47Å; K296-T300 PolarHBondContact O-OG1 3.13Å; E297-T300 CarbonylContact O-C 3.57Å; E297-T300 PolarHBondContact O-N 2.9Å; E297-T300 VanDerWaalsContact O-N 3.14Å; F298-T300 VanDerWaalsContact C-N 3.28Å; F298-T300 PolarHBondContact O-N 3.38Å; T300-S303 PolarHBondContact O-N 2.91Å; T300-R304 VanDerWaalsContact CG2-CZ 3.43Å; T300-R304 VanDerWaalsContact CG2-NH2 3.29Å; T300-R304 VanDerWaalsContact O-CG 3.31Å; T300-R304 WeakPolarHBondContact O-CG 3.49Å; T300-R304 PolarHBondContact O-N 3.46Å |
| 301 | C | 94.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 174.4 | -71.9 | 0 | 0 | 0 | 0 | 112 | F202 H203 L206 E297 F298 R304 L305 | F202-C301 HydrophobicContact CD1-CB 3.87Å; F202-C301 HydrophobicContact CD2-CB 3.83Å; F202-C301 HydrophobicContact CE1-CB 3.77Å; F202-C301 HydrophobicContact CE2-CB 3.69Å; F202-C301 HydrophobicContact CG-CB 3.91Å; F202-C301 HydrophobicContact CZ-CB 3.68Å; H203-C301 PolarHBondContact CD2-SG 3.24Å; H203-C301 PolarHBondContact NE2-SG 3.41Å; L206-C301 HydrophobicContact CD2-CB 4.31Å; E297-C301 WeakPolarHBondContact O-CB 3.28Å; E297-C301 PolarHBondContact O-N 3.28Å; E297-C301 PolarHBondContact O-SG 2.96Å; F298-C301 PolarHBondContact O-N 3.41Å; C301-R304 PolarHBondContact O-N 3.08Å; C301-L305 PolarHBondContact O-N 3.01Å |
| 302 | L | 93.9 | Very high | 95.3 | Very high | 30 Ų | 30 | 48.7 Ų | 48.7 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 175.9 | -173 | 66.2 | 0 | 0 | 0 | 111.7 | I95 T99 F202 F298 I299 R304 L305 Q306 | I95-L302 HydrophobicContact CG2-CD1 4.08Å; T99-L302 HydrophobicContact CG2-CD1 3.91Å; T99-L302 HydrophobicContact CG2-CD2 3.92Å; F202-L302 HydrophobicContact CZ-CB 4.23Å; F202-L302 HydrophobicContact CZ-CD1 4.48Å; F298-L302 PolarHBondContact O-N 3.46Å; F298-L302 VanDerWaalsContact O-N 3.12Å; I299-L302 PolarHBondContact O-N 3.04Å; L302-R304 VanDerWaalsContact C-N 3.34Å; L302-R304 PolarHBondContact O-N 3.3Å; L302-L305 PolarHBondContact O-N 3.17Å; L302-Q306 WeakPolarHBondContact O-CG 3.48Å; L302-Q306 PolarHBondContact O-N 3.34Å |
| 303 | S | 95.9 | Very high | 95.6 | Very high | 60 Ų | 60 | 43.3 Ų | 43.3 | 42% | 0.42 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.8 | -43.2 | 175.7 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | I299 T300 L305 Q306 T307 | I299-S303 PolarHBondContact O-N 3.25Å; T300-S303 PolarHBondContact O-N 2.91Å; S303-L305 PolarHBondContact O-N 3.4Å; S303-Q306 WeakPolarHBondContact O-CB 3.39Å; S303-Q306 PolarHBondContact O-N 2.81Å; S303-Q306 VanDerWaalsContact O-N 3.13Å; S303-T307 PolarHBondContact O-N 2.96Å; S303-T307 PolarHBondContact O-OG1 3.42Å |
| 304 | R | 97.9 | Very high | 95.7 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -38.2 | 176.1 | -69.1 | 173.3 | -170 | 140.4 | 3.5 | 112.7 | L206 C259 E297 T300 C301 L302 Q306 T307 V308 | L206-R304 HydrophobicContact CD1-CB 4Å; L206-R304 HydrophobicContact CD2-CB 4.05Å; C259-R304 HydrophobicContact CB-CG 4.28Å; E297-R304 IonicContact OE1-CZ 2.76Å; E297-R304 IonicContact OE1-NH1 3.99Å; E297-R304 PolarHBondContact OE1-NH1 3.01Å; E297-R304 IonicContact OE1-NH2 3.77Å; T300-R304 VanDerWaalsContact CG2-CZ 3.43Å; T300-R304 VanDerWaalsContact CG2-NH2 3.29Å; T300-R304 VanDerWaalsContact O-CG 3.31Å; T300-R304 WeakPolarHBondContact O-CG 3.49Å; T300-R304 PolarHBondContact O-N 3.46Å; C301-R304 PolarHBondContact O-N 3.08Å; L302-R304 VanDerWaalsContact C-N 3.34Å; L302-R304 PolarHBondContact O-N 3.3Å; R304-Q306 VanDerWaalsContact C-N 3.32Å; R304-T307 WeakPolarHBondContact O-CB 3.27Å; R304-T307 PolarHBondContact O-N 3.34Å; R304-V308 WeakPolarHBondContact O-CG2 3.43Å; R304-V308 PolarHBondContact O-N 2.9Å |
| 305 | L | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 171.8 | -79.1 | -176.8 | 0 | 0 | 0 | 111.5 | V91 M94 I95 I98 F202 L206 F209 C301 L302 S303 T307 V308 Q309 | V91-L305 HydrophobicContact CG1-CB 4.46Å; V91-L305 HydrophobicContact CG1-CD2 4.45Å; V91-L305 VanDerWaalsContact CG1-O 3.29Å; V91-L305 WeakPolarHBondContact CG1-O 3.4Å; M94-L305 HydrophobicContact CG-CD1 4.29Å; I95-L305 HydrophobicContact CD1-CB 4.09Å; I95-L305 HydrophobicContact CG1-CB 3.87Å; I95-L305 HydrophobicContact CG1-CD1 4.22Å; I98-L305 HydrophobicContact CD1-CD1 3.81Å; F202-L305 HydrophobicContact CE2-CD1 3.54Å; F202-L305 HydrophobicContact CE2-CG 4.14Å; F202-L305 HydrophobicContact CZ-CD1 4.1Å; L206-L305 HydrophobicContact CD1-CD2 3.65Å; L206-L305 HydrophobicContact CD1-CG 3.94Å; F209-L305 HydrophobicContact CB-CD2 4.32Å; F209-L305 HydrophobicContact CD2-CD2 3.87Å; F209-L305 HydrophobicContact CG-CD2 4.32Å; C301-L305 PolarHBondContact O-N 3.01Å; L302-L305 PolarHBondContact O-N 3.17Å; S303-L305 PolarHBondContact O-N 3.4Å; L305-T307 VanDerWaalsContact C-N 3.31Å; L305-T307 PolarHBondContact O-N 3.4Å; L305-V308 WeakPolarHBondContact O-CB 3.5Å; L305-V308 PolarHBondContact O-N 3.43Å; L305-Q309 PolarHBondContact O-N 3.1Å |
| 306 | Q | 97 | Very high | 96.1 | Very high | 79 Ų | 79 | 40.3 Ų | 40.3 | 37% | 0.369 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 174.7 | -69.9 | 173.7 | -25.6 | 0 | 0 | 111.4 | I95 L302 S303 R304 V308 Q309 Q310 | I95-Q306 HydrophobicContact CD1-CG 3.87Å; L302-Q306 WeakPolarHBondContact O-CG 3.48Å; L302-Q306 PolarHBondContact O-N 3.34Å; S303-Q306 WeakPolarHBondContact O-CB 3.39Å; S303-Q306 PolarHBondContact O-N 2.81Å; S303-Q306 VanDerWaalsContact O-N 3.13Å; R304-Q306 VanDerWaalsContact C-N 3.32Å; Q306-V308 PolarHBondContact O-N 3.08Å; Q306-Q309 WeakPolarHBondContact O-CB 3.46Å; Q306-Q309 PolarHBondContact O-N 3.44Å; Q306-Q310 WeakPolarHBondContact O-CB 3.43Å; Q306-Q310 VanDerWaalsContact O-CG 3.25Å; Q306-Q310 WeakPolarHBondContact O-CG 3.36Å; Q306-Q310 PolarHBondContact O-N 2.92Å |
| 307 | T | 97.4 | Very high | 96.1 | Very high | 38 Ų | 38 | 40.1 Ų | 40.1 | 23% | 0.233 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.8 | -48.7 | 171.6 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | S303 R304 L305 Q309 Q310 T311 | S303-T307 PolarHBondContact O-N 2.96Å; S303-T307 PolarHBondContact O-OG1 3.42Å; R304-T307 WeakPolarHBondContact O-CB 3.27Å; R304-T307 PolarHBondContact O-N 3.34Å; L305-T307 VanDerWaalsContact C-N 3.31Å; L305-T307 PolarHBondContact O-N 3.4Å; T307-Q309 VanDerWaalsContact C-N 3.34Å; T307-Q309 PolarHBondContact O-N 2.69Å; T307-Q310 PolarHBondContact O-N 3.33Å; T307-T311 WeakPolarHBondContact O-CB 3.38Å; T307-T311 PolarHBondContact O-N 3.08Å; T307-T311 PolarHBondContact O-OG1 3.35Å |
| 308 | V | 98.2 | Very high | 96 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.4 | -48.2 | 177.3 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | V91 F209 L210 A213 L256 R304 L305 Q306 T311 Y312 | V91-V308 HydrophobicContact CG1-CB 4.47Å; V91-V308 HydrophobicContact CG2-CG1 3.95Å; F209-V308 HydrophobicContact CB-CG1 4.5Å; L210-V308 HydrophobicContact CD2-CG2 3.63Å; L210-V308 HydrophobicContact CG-CG2 4.31Å; A213-V308 HydrophobicContact CB-CG1 4.13Å; L256-V308 HydrophobicContact CD2-CB 4.42Å; L256-V308 HydrophobicContact CD2-CG2 3.77Å; R304-V308 WeakPolarHBondContact O-CG2 3.43Å; R304-V308 PolarHBondContact O-N 2.9Å; L305-V308 WeakPolarHBondContact O-CB 3.5Å; L305-V308 PolarHBondContact O-N 3.43Å; Q306-V308 PolarHBondContact O-N 3.08Å; V308-T311 PolarHBondContact O-N 2.89Å; V308-Y312 HydrophobicContact CG1-CD2 3.87Å; V308-Y312 HydrophobicContact CG1-CE2 3.66Å; V308-Y312 VanDerWaalsContact O-CD2 3.25Å; V308-Y312 WeakPolarHBondContact O-CD2 3.43Å; V308-Y312 PolarHBondContact O-N 3.42Å; V308-Y312 VanDerWaalsContact O-N 3.09Å |
| 309 | Q | 97.9 | Very high | 96 | Very high | 43 Ų | 43 | 41.8 Ų | 41.8 | 20% | 0.201 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.1 | -49.7 | 178.4 | -175.1 | -165.6 | -2.3 | 0 | 0 | 112.2 | V91 R92 I95 L305 Q306 T307 T311 Y312 T313 | V91-Q309 HydrophobicContact CB-CB 4.19Å; V91-Q309 HydrophobicContact CG1-CB 3.77Å; R92-Q309 HydrophobicContact CB-CG 4.49Å; I95-Q309 HydrophobicContact CD1-CB 4.38Å; L305-Q309 PolarHBondContact O-N 3.1Å; Q306-Q309 WeakPolarHBondContact O-CB 3.46Å; Q306-Q309 PolarHBondContact O-N 3.44Å; T307-Q309 VanDerWaalsContact C-N 3.34Å; T307-Q309 PolarHBondContact O-N 2.69Å; Q309-T311 VanDerWaalsContact C-N 3.34Å; Q309-Y312 PolarHBondContact O-N 2.91Å; Q309-T313 PolarHBondContact O-N 3.31Å; Q309-T313 VanDerWaalsContact O-N 3.07Å; Q309-T313 PolarHBondContact O-OG1 3.46Å |
| 310 | Q | 97.6 | Very high | 96 | Very high | 110 Ų | 110 | 43.5 Ų | 43.5 | 51% | 0.514 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.8 | -42.1 | -178.7 | -73.1 | 172.4 | -1.4 | 0 | 0 | 110.8 | Q306 T307 T313 L314 | Q306-Q310 WeakPolarHBondContact O-CB 3.43Å; Q306-Q310 VanDerWaalsContact O-CG 3.25Å; Q306-Q310 WeakPolarHBondContact O-CG 3.36Å; Q306-Q310 PolarHBondContact O-N 2.92Å; T307-Q310 PolarHBondContact O-N 3.33Å; Q310-T313 PolarHBondContact O-N 3.32Å; Q310-L314 WeakPolarHBondContact O-CB 3.33Å; Q310-L314 VanDerWaalsContact O-CG 3.28Å; Q310-L314 WeakPolarHBondContact O-CG 3.41Å; Q310-L314 PolarHBondContact O-N 3.28Å |
| 311 | T | 97.6 | Very high | 95.8 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.7 | -48.8 | 177.7 | -69.7 | 0 | 0 | 0 | 0 | 111.4 | F217 A252 L256 T307 V308 Q309 T313 T315 | F217-T311 HydrophobicContact CD1-CG2 4.28Å; F217-T311 HydrophobicContact CD2-CG2 4.5Å; F217-T311 HydrophobicContact CE1-CG2 3.45Å; F217-T311 VanDerWaalsContact CE1-CG2 3.45Å; F217-T311 HydrophobicContact CE2-CG2 3.71Å; F217-T311 HydrophobicContact CZ-CG2 3.12Å; A252-T311 HydrophobicContact CB-CG2 3.76Å; L256-T311 HydrophobicContact CD1-CG2 3.86Å; L256-T311 HydrophobicContact CD2-CG2 4.46Å; L256-T311 HydrophobicContact CG-CG2 4.23Å; T307-T311 WeakPolarHBondContact O-CB 3.38Å; T307-T311 PolarHBondContact O-N 3.08Å; T307-T311 PolarHBondContact O-OG1 3.35Å; V308-T311 PolarHBondContact O-N 2.89Å; Q309-T311 VanDerWaalsContact C-N 3.34Å; T311-T313 PolarHBondContact O-N 2.99Å; T311-T315 VanDerWaalsContact O-CB 3.22Å; T311-T315 WeakPolarHBondContact O-CB 3.5Å; T311-T315 PolarHBondContact O-N 3.04Å; T311-T315 PolarHBondContact O-OG1 3.33Å |
| 312 | Y | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59 | -44.8 | 173.4 | -81.6 | -67.6 | 0 | 0 | 0 | 113 | F84 M87 A213 D216 F217 V308 Q309 F316 | F84-Y312 HydrophobicContact CB-CD1 4.24Å; F84-Y312 AromaticContact CD1-CD1 3.78Å; F84-Y312 HydrophobicContact CD1-CD1 3.78Å; F84-Y312 HydrophobicContact CD2-CD1 4.28Å; F84-Y312 HydrophobicContact CD2-CE1 4.41Å; F84-Y312 HydrophobicContact CE1-CD1 4.11Å; F84-Y312 HydrophobicContact CE2-CE1 4.47Å; F84-Y312 AromaticContact CG-CD1 3.85Å; F84-Y312 HydrophobicContact CG-CD1 3.85Å; F84-Y312 HydrophobicContact CG-CE1 4.43Å; F84-Y312 HydrophobicContact CZ-CD1 4.5Å; M87-Y312 HydrophobicContact CB-CD1 4.1Å; M87-Y312 HydrophobicContact CB-CD2 3.98Å; M87-Y312 HydrophobicContact CB-CE1 3.93Å; M87-Y312 HydrophobicContact CB-CE2 3.8Å; M87-Y312 HydrophobicContact CB-CG 4.11Å; M87-Y312 HydrophobicContact CE-CE2 4.3Å; M87-Y312 HydrophobicContact CG-CE1 4.18Å; M87-Y312 HydrophobicContact CG-CE2 4.42Å; A213-Y312 WeakPolarHBondContact CA-OH 3.49Å; A213-Y312 HydrophobicContact CB-CE2 3.87Å; A213-Y312 PolarHBondContact N-OH 3.29Å; D216-Y312 HydrophobicContact CB-CE1 4.29Å; D216-Y312 PolarHBondContact OD2-OH 3.16Å; F217-Y312 AromaticContact CE2-CD1 3.92Å; F217-Y312 HydrophobicContact CE2-CD1 3.92Å; F217-Y312 AromaticContact CE2-CE1 3.97Å; F217-Y312 HydrophobicContact CE2-CE1 3.97Å; F217-Y312 HydrophobicContact CE2-CG 4.43Å; V308-Y312 HydrophobicContact CG1-CD2 3.87Å; V308-Y312 HydrophobicContact CG1-CE2 3.66Å; V308-Y312 VanDerWaalsContact O-CD2 3.25Å; V308-Y312 WeakPolarHBondContact O-CD2 3.43Å; V308-Y312 PolarHBondContact O-N 3.42Å; V308-Y312 VanDerWaalsContact O-N 3.09Å; Q309-Y312 PolarHBondContact O-N 2.91Å; Y312-F316 VanDerWaalsContact O-CB 3.26Å; Y312-F316 WeakPolarHBondContact O-CB 3.38Å; Y312-F316 PolarHBondContact O-N 2.86Å |
| 313 | T | 97.7 | Very high | 95.1 | Very high | 56 Ų | 56 | 49.2 Ų | 49.2 | 34% | 0.344 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.1 | -53.3 | -176.9 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | Q309 Q310 T311 T315 F316 D317 | Q309-T313 PolarHBondContact O-N 3.31Å; Q309-T313 VanDerWaalsContact O-N 3.07Å; Q309-T313 PolarHBondContact O-OG1 3.46Å; Q310-T313 PolarHBondContact O-N 3.32Å; T311-T313 PolarHBondContact O-N 2.99Å; T313-T315 PolarHBondContact O-N 3.26Å; T313-F316 PolarHBondContact O-N 3.28Å; T313-D317 PolarHBondContact O-N 3.05Å |
| 314 | L | 96.6 | Very high | 94.4 | Very high | 95 Ų | 95 | 51.7 Ų | 51.7 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.8 | -40.7 | -177.9 | -66.4 | 173.2 | 0 | 0 | 0 | 111.4 | F248 Q310 D317 F318 | F248-L314 HydrophobicContact CE1-CB 4.35Å; F248-L314 HydrophobicContact CZ-CB 3.79Å; Q310-L314 WeakPolarHBondContact O-CB 3.33Å; Q310-L314 VanDerWaalsContact O-CG 3.28Å; Q310-L314 WeakPolarHBondContact O-CG 3.41Å; Q310-L314 PolarHBondContact O-N 3.28Å; L314-D317 PolarHBondContact O-N 2.88Å; L314-F318 WeakPolarHBondContact O-CB 3.46Å; L314-F318 PolarHBondContact O-N 3.17Å |
| 315 | T | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 176.5 | -61.7 | 0 | 0 | 0 | 0 | 112 | F84 F217 F248 V249 T311 T313 F318 I319 | F84-T315 HydrophobicContact CD1-CG2 4.29Å; F84-T315 HydrophobicContact CE1-CG2 3.67Å; F217-T315 HydrophobicContact CE1-CG2 3.84Å; F217-T315 WeakPolarHBondContact CE1-OG1 3.33Å; F217-T315 HydrophobicContact CZ-CG2 4.01Å; F217-T315 WeakPolarHBondContact CZ-OG1 3.29Å; F248-T315 WeakPolarHBondContact CE1-OG1 2.92Å; V249-T315 HydrophobicContact CG2-CG2 3.9Å; T311-T315 VanDerWaalsContact O-CB 3.22Å; T311-T315 WeakPolarHBondContact O-CB 3.5Å; T311-T315 PolarHBondContact O-N 3.04Å; T311-T315 PolarHBondContact O-OG1 3.33Å; T313-T315 PolarHBondContact O-N 3.26Å; T315-F318 PolarHBondContact O-N 3.48Å; T315-I319 HydrophobicContact CG2-CD1 3.57Å; T315-I319 HydrophobicContact CG2-CG1 4.16Å; T315-I319 VanDerWaalsContact O-CB 3.31Å; T315-I319 WeakPolarHBondContact O-CB 3.4Å; T315-I319 VanDerWaalsContact O-CG1 3.24Å; T315-I319 WeakPolarHBondContact O-CG1 3.49Å; T315-I319 PolarHBondContact O-N 3.39Å |
| 316 | F | 96.3 | Very high | 92.6 | Very high | 40 Ų | 40 | 54.1 Ų | 54.1 | 18% | 0.175 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.8 | -49.8 | 174.2 | 173.5 | -103.9 | 0 | 0 | 0 | 111.6 | I80 F84 P85 Y312 T313 F318 I319 K320 | I80-F316 HydrophobicContact CG2-CD2 4.31Å; F84-F316 HydrophobicContact CB-CB 3.97Å; F84-F316 HydrophobicContact CB-CD2 4.2Å; F84-F316 HydrophobicContact CB-CG 4.42Å; F84-F316 HydrophobicContact CD1-CB 4.35Å; P85-F316 HydrophobicContact CG-CD1 4.12Å; P85-F316 HydrophobicContact CG-CD2 3.88Å; P85-F316 HydrophobicContact CG-CE1 3.96Å; P85-F316 HydrophobicContact CG-CE2 3.72Å; P85-F316 HydrophobicContact CG-CG 4.07Å; P85-F316 HydrophobicContact CG-CZ 3.75Å; Y312-F316 VanDerWaalsContact O-CB 3.26Å; Y312-F316 WeakPolarHBondContact O-CB 3.38Å; Y312-F316 PolarHBondContact O-N 2.86Å; T313-F316 PolarHBondContact O-N 3.28Å; F316-F318 PolarHBondContact O-N 3.25Å; F316-I319 PolarHBondContact O-N 3.13Å; F316-K320 HydrophobicContact CE1-CD 4.07Å; F316-K320 HydrophobicContact CZ-CD 4.07Å; F316-K320 WeakPolarHBondContact O-CB 3.47Å; F316-K320 PolarHBondContact O-N 3.24Å |
| 317 | D | 94.7 | Very high | 91.7 | Very high | 85 Ų | 85 | 53.7 Ų | 53.7 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | -179.8 | -74.1 | -21.8 | 0 | 0 | 0 | 111.8 | T313 L314 K320 F321 | T313-D317 PolarHBondContact O-N 3.05Å; L314-D317 PolarHBondContact O-N 2.88Å; D317-K320 PolarHBondContact O-N 3.38Å; D317-F321 WeakPolarHBondContact O-CB 2.99Å; D317-F321 PolarHBondContact O-N 3.43Å |
| 318 | F | 92 | Very high | 90.4 | Very high | 65 Ų | 65 | 53 Ų | 53 | 29% | 0.285 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.9 | -45 | -179.3 | -158 | -125.4 | 0 | 0 | 0 | 111.8 | V245 F248 L314 T315 F316 F321 S322 | V245-F318 HydrophobicContact CB-CD1 4.35Å; V245-F318 HydrophobicContact CB-CE1 4.19Å; V245-F318 HydrophobicContact CG1-CD1 4.46Å; V245-F318 HydrophobicContact CG2-CD1 3.85Å; V245-F318 HydrophobicContact CG2-CE1 3.64Å; V245-F318 HydrophobicContact CG2-CZ 4.36Å; F248-F318 HydrophobicContact CB-CD1 4Å; F248-F318 HydrophobicContact CB-CE1 3.87Å; F248-F318 HydrophobicContact CD1-CB 4.43Å; F248-F318 AromaticContact CD1-CD1 3.81Å; F248-F318 HydrophobicContact CD1-CD1 3.81Å; F248-F318 HydrophobicContact CD1-CE1 4.49Å; F248-F318 HydrophobicContact CD1-CG 4.4Å; F248-F318 HydrophobicContact CE1-CB 4.41Å; F248-F318 AromaticContact CG-CD1 3.93Å; F248-F318 HydrophobicContact CG-CD1 3.93Å; F248-F318 HydrophobicContact CG-CE1 4.17Å; L314-F318 WeakPolarHBondContact O-CB 3.46Å; L314-F318 PolarHBondContact O-N 3.17Å; T315-F318 PolarHBondContact O-N 3.48Å; F316-F318 PolarHBondContact O-N 3.25Å; F318-F321 PolarHBondContact O-N 2.96Å; F318-S322 WeakPolarHBondContact O-CB 3.4Å; F318-S322 PolarHBondContact O-N 3.36Å; F318-S322 PolarHBondContact O-OG 3.15Å |
| 319 | I | 92.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.7 | -49.7 | 174.2 | -69.7 | 174.9 | 0 | 0 | 0 | 109.5 | I80 T220 W223 V245 V249 T315 F316 F321 S322 L323 | I80-I319 HydrophobicContact CD1-CD1 4.12Å; I80-I319 HydrophobicContact CD1-CG2 4.43Å; I80-I319 HydrophobicContact CG2-CD1 4.45Å; I80-I319 HydrophobicContact CG2-CG2 4.43Å; T220-I319 HydrophobicContact CG2-CD1 3.59Å; W223-I319 HydrophobicContact CH2-CG2 4.22Å; W223-I319 HydrophobicContact CZ3-CG2 4.16Å; V245-I319 HydrophobicContact CG1-CG1 4.25Å; V249-I319 HydrophobicContact CG2-CD1 4.44Å; T315-I319 HydrophobicContact CG2-CD1 3.57Å; T315-I319 HydrophobicContact CG2-CG1 4.16Å; T315-I319 VanDerWaalsContact O-CB 3.31Å; T315-I319 WeakPolarHBondContact O-CB 3.4Å; T315-I319 VanDerWaalsContact O-CG1 3.24Å; T315-I319 WeakPolarHBondContact O-CG1 3.49Å; T315-I319 PolarHBondContact O-N 3.39Å; F316-I319 PolarHBondContact O-N 3.13Å; I319-F321 VanDerWaalsContact C-N 3.28Å; I319-F321 PolarHBondContact O-N 2.97Å; I319-S322 CarbonylContact O-C 3.48Å; I319-S322 PolarHBondContact O-N 3.11Å; I319-L323 HydrophobicContact CG2-CD2 3.93Å; I319-L323 HydrophobicContact CG2-CG 3.96Å; I319-L323 VanDerWaalsContact O-CG 3.29Å; I319-L323 WeakPolarHBondContact O-CG 3.49Å; I319-L323 PolarHBondContact O-N 2.91Å |
| 320 | K | 92.3 | Very high | 86.4 | Confident | 135 Ų | 135 | 64.9 Ų | 64.9 | 59% | 0.587 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -55 | -43.1 | 180 | -178.4 | -177.2 | 177.6 | -175 | 0 | 112.2 | F316 D317 | F316-K320 HydrophobicContact CE1-CD 4.07Å; F316-K320 HydrophobicContact CZ-CD 4.07Å; F316-K320 WeakPolarHBondContact O-CB 3.47Å; F316-K320 PolarHBondContact O-N 3.24Å; D317-K320 PolarHBondContact O-N 3.38Å |
| 321 | F | 90 | Very high | 84.2 | Confident | 159 Ų | 159 | 64.9 Ų | 64.9 | 70% | 0.697 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.1 | -38.7 | 176.2 | -179.5 | -98.8 | 0 | 0 | 0 | 112.2 | D317 F318 I319 | D317-F321 WeakPolarHBondContact O-CB 2.99Å; D317-F321 PolarHBondContact O-N 3.43Å; F318-F321 PolarHBondContact O-N 2.96Å; I319-F321 VanDerWaalsContact C-N 3.28Å; I319-F321 PolarHBondContact O-N 2.97Å |
| 322 | S | 88.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -88.4 | -12.4 | -177.5 | -58.7 | 0 | 0 | 0 | 0 | 115 | V245 F318 I319 F324 E325 I326 | V245-S322 VanDerWaalsContact CG2-OG 3.3Å; V245-S322 WeakPolarHBondContact CG2-OG 3.39Å; F318-S322 WeakPolarHBondContact O-CB 3.4Å; F318-S322 PolarHBondContact O-N 3.36Å; F318-S322 PolarHBondContact O-OG 3.15Å; I319-S322 CarbonylContact O-C 3.48Å; I319-S322 PolarHBondContact O-N 3.11Å; S322-F324 PolarHBondContact O-N 2.75Å; S322-F324 VanDerWaalsContact O-N 3.15Å; S322-E325 PolarHBondContact O-N 3.46Å; S322-I326 VanDerWaalsContact O-CG1 3.29Å; S322-I326 WeakPolarHBondContact O-CG1 3.05Å; S322-I326 PolarHBondContact O-N 3.31Å |
| 323 | L | 86.3 | Confident | 79.2 | Confident | 29 Ų | 29 | 76.3 Ų | 76.3 | 15% | 0.152 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -52.4 | -42 | -174.1 | -87.4 | 178 | 0 | 0 | 0 | 113 | W223 I319 E325 I326 E327 | W223-L323 HydrophobicContact CH2-CD2 3.58Å; W223-L323 HydrophobicContact CZ2-CD2 4.05Å; I319-L323 HydrophobicContact CG2-CD2 3.93Å; I319-L323 HydrophobicContact CG2-CG 3.96Å; I319-L323 VanDerWaalsContact O-CG 3.29Å; I319-L323 WeakPolarHBondContact O-CG 3.49Å; I319-L323 PolarHBondContact O-N 2.91Å; L323-E325 VanDerWaalsContact C-N 3.3Å; L323-E325 PolarHBondContact O-N 3.16Å; L323-I326 PolarHBondContact O-N 3.43Å; L323-E327 WeakPolarHBondContact O-CB 3.44Å; L323-E327 WeakPolarHBondContact O-CG 3.42Å; L323-E327 PolarHBondContact O-N 2.87Å |
| 324 | F | 81 | Confident | 76.5 | Confident | 112 Ų | 112 | 78.4 Ų | 78.4 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.7 | -40.7 | -179.7 | -178.4 | -95.7 | 0 | 0 | 0 | 112.4 | S322 G328 N329 | S322-F324 PolarHBondContact O-N 2.75Å; S322-F324 VanDerWaalsContact O-N 3.15Å; F324-G328 PolarHBondContact O-N 2.83Å; F324-N329 VanDerWaalsContact CE2-CG 3.42Å; F324-N329 WeakPolarHBondContact CE2-ND2 3.38Å; F324-N329 VanDerWaalsContact CE2-OD1 3.22Å; F324-N329 WeakPolarHBondContact CE2-OD1 3.48Å; F324-N329 HydrophobicContact CZ-CB 4.47Å; F324-N329 WeakPolarHBondContact CZ-ND2 3.47Å |
| 325 | E | 80.8 | Confident | 74 | Confident | 62 Ų | 62 | 82.2 Ų | 82.2 | 29% | 0.29 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -81.6 | -30.5 | -180 | -63.3 | -64.5 | 168.1 | 0 | 0 | 112.4 | R238 L241 S322 L323 | R238-E325 WeakPolarHBondContact CD-OE2 3.2Å; R238-E325 WeakPolarHBondContact CG-OE2 3.33Å; R238-E325 IonicContact CZ-OE2 3.61Å; R238-E325 IonicContact NE-OE2 3.32Å; R238-E325 PolarHBondContact NE-OE2 3.5Å; R238-E325 IonicContact NH2-OE2 3.62Å; L241-E325 HydrophobicContact CD2-CB 3.58Å; L241-E325 HydrophobicContact CD2-CG 3.64Å; S322-E325 PolarHBondContact O-N 3.46Å; L323-E325 VanDerWaalsContact C-N 3.3Å; L323-E325 PolarHBondContact O-N 3.16Å |
| 326 | I | 76.4 | Confident | 71.4 | Confident | 10 Ų | 10 | 89.2 Ų | 89.2 | 5% | 0.051 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -69.9 | -47 | 177.4 | -67.4 | 168 | 0 | 0 | 0 | 110.8 | L224 H227 F242 V245 S322 L323 G328 | L224-I326 HydrophobicContact CD2-CD1 4.17Å; H227-I326 HydrophobicContact CB-CG2 3.72Å; F242-I326 HydrophobicContact CD2-CG1 4.35Å; F242-I326 HydrophobicContact CD2-CG2 4.37Å; V245-I326 HydrophobicContact CG1-CD1 4.26Å; V245-I326 HydrophobicContact CG2-CD1 4.36Å; S322-I326 VanDerWaalsContact O-CG1 3.29Å; S322-I326 WeakPolarHBondContact O-CG1 3.05Å; S322-I326 PolarHBondContact O-N 3.31Å; L323-I326 PolarHBondContact O-N 3.43Å; I326-G328 VanDerWaalsContact C-N 3.34Å |
| 327 | E | 78.1 | Confident | 68.8 | Low | 71 Ų | 71 | 95.9 Ų | 95.9 | 33% | 0.332 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -78.1 | -23.3 | -176.1 | -68.2 | -176.1 | 159.2 | 0 | 0 | 112.9 | R77 L323 | R77-E327 VanDerWaalsContact CD-OE1 3.3Å; R77-E327 WeakPolarHBondContact CD-OE1 3.25Å; R77-E327 IonicContact CZ-OE1 3.28Å; R77-E327 VanDerWaalsContact CZ-OE1 3.28Å; R77-E327 IonicContact CZ-OE2 3.12Å; R77-E327 IonicContact NE-OE1 3.59Å; R77-E327 PolarHBondContact NE-OE1 3.39Å; R77-E327 IonicContact NH1-OE1 3.51Å; R77-E327 PolarHBondContact NH1-OE1 3.24Å; R77-E327 IonicContact NH1-OE2 3.8Å; R77-E327 PolarHBondContact NH1-OE2 3.31Å; R77-E327 IonicContact NH2-OE2 3.31Å; R77-E327 PolarHBondContact NH2-OE2 3.29Å; L323-E327 WeakPolarHBondContact O-CB 3.44Å; L323-E327 WeakPolarHBondContact O-CG 3.42Å; L323-E327 PolarHBondContact O-N 2.87Å |
| 328 | G | 69.7 | Low | 66.5 | Low | 23 Ų | 23 | 95.6 Ų | 95.6 | 24% | 0.237 | 47% | 0.474 | C | S | . | . | trans | 68 | 125.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F324 I326 R330 | F324-G328 PolarHBondContact O-N 2.83Å; I326-G328 VanDerWaalsContact C-N 3.34Å; G328-R330 PolarHBondContact O-N 3.44Å; G328-R330 VanDerWaalsContact O-N 3.14Å | ||
| 329 | N | 58.8 | Low | 64.5 | Low | 65 Ų | 65 | 100.2 Ų | 100.2 | 35% | 0.348 | 49% | 0.494 | S | S | . | . | trans | -63.7 | 118.2 | 167 | -97.6 | 1.1 | 0 | 0 | 0 | 109.3 | F324 T331 D332 | F324-N329 VanDerWaalsContact CE2-CG 3.42Å; F324-N329 WeakPolarHBondContact CE2-ND2 3.38Å; F324-N329 VanDerWaalsContact CE2-OD1 3.22Å; F324-N329 WeakPolarHBondContact CE2-OD1 3.48Å; F324-N329 HydrophobicContact CZ-CB 4.47Å; F324-N329 WeakPolarHBondContact CZ-ND2 3.47Å; N329-T331 PolarHBondContact O-N 3.16Å; N329-D332 PolarHBondContact O-N 2.72Å | ||
| 330 | R | 54.1 | Low | 62.4 | Low | 229 Ų | 229 | 106.1 Ų | 106.1 | 86% | 0.864 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -9 | 170.9 | -71.4 | -174.7 | 174 | -156.8 | -6.7 | 113.3 | G328 | G328-R330 PolarHBondContact O-N 3.44Å; G328-R330 VanDerWaalsContact O-N 3.14Å |
| 331 | T | 50.8 | Low | 60.5 | Low | 110 Ų | 110 | 106.5 Ų | 106.5 | 68% | 0.675 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -1.1 | -179.4 | 41 | 0 | 0 | 0 | 0 | 114.9 | N329 F333 | N329-T331 PolarHBondContact O-N 3.16Å; T331-F333 VanDerWaalsContact C-N 3.27Å; T331-F333 PolarHBondContact O-N 3.12Å |
| 332 | D | 48.4 | Very low | 58.5 | Low | 80 Ų | 80 | 103.2 Ų | 103.2 | 43% | 0.428 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -85.1 | 9.6 | -179.2 | -66.9 | -11.7 | 0 | 0 | 0 | 114.4 | R238 N329 | R238-D332 IonicContact CZ-OD2 2.7Å; R238-D332 IonicContact NH1-OD2 3.92Å; R238-D332 IonicContact NH2-OD2 3.08Å; R238-D332 PolarHBondContact NH2-OD2 3.46Å; N329-D332 PolarHBondContact O-N 2.72Å |
| 333 | F | 43.5 | Very low | 56.5 | Low | 174 Ų | 174 | 112.8 Ų | 112.8 | 76% | 0.763 | 58% | 0.584 | S | S | * | * | trans | -116.4 | 92.8 | 169 | -69.1 | -80.6 | 0 | 0 | 0 | 110.7 | T331 E335 | T331-F333 VanDerWaalsContact C-N 3.27Å; T331-F333 PolarHBondContact O-N 3.12Å; F333-E335 PolarHBondContact O-N 3.1Å | ||
| 334 | P | 41.3 | Very low | 54.8 | Low | 99 Ų | 99 | 120.2 Ų | 120.2 | 64% | 0.643 | 62% | 0.618 | S | S | * | * | trans | -67 | 119.4 | 147.8 | 28.5 | -26.7 | 0 | 0 | 0 | 106.8 | N336 | P334-N336 PolarHBondContact O-N 3.14Š| ||
| 335 | E | 43.7 | Very low | 53.5 | Low | 175 Ų | 175 | 124.1 Ų | 124.1 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | trans | -51.6 | 90.9 | 158.3 | -73 | 170.5 | 156.4 | 0 | 0 | 108.3 | F333 E337 | F333-E335 PolarHBondContact O-N 3.1Å; E335-E337 PolarHBondContact O-N 2.88Å; E335-E337 VanDerWaalsContact O-N 3.17Å | ||
| 336 | N | 41.3 | Very low | 51.9 | Low | 147 Ų | 147 | 125.3 Ų | 125.3 | 79% | 0.786 | 66% | 0.658 | S | S | * | * | trans | -83.4 | 59.6 | 155.8 | -82.6 | -19.2 | 0 | 0 | 0 | 107.7 | P334 A338 | P334-N336 PolarHBondContact O-N 3.14Å; N336-A338 PolarHBondContact O-N 3.02Å; N336-A338 VanDerWaalsContact O-N 3.16Å | ||
| 337 | E | 42.2 | Very low | 50.3 | Low | 180 Ų | 180 | 131.7 Ų | 131.7 | 84% | 0.841 | 70% | 0.701 | S | S | * | * | trans | -76 | 72.5 | 148.5 | -73.3 | -163.2 | 159.1 | 0 | 0 | 107.6 | E335 | E335-E337 PolarHBondContact O-N 2.88Å; E335-E337 VanDerWaalsContact O-N 3.17Å | ||
| 338 | A | 45.1 | Very low | 49 | Very low | 80 Ų | 80 | 132.8 Ų | 132.8 | 66% | 0.661 | 72% | 0.717 | S | S | * | * | trans | -112.9 | 85 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | N336 P340 | N336-A338 PolarHBondContact O-N 3.02Å; N336-A338 VanDerWaalsContact O-N 3.16Å; A338-P340 WeakPolarHBondContact O-CD 3.47Å | ||
| 339 | K | 50.4 | Low | 47.9 | Very low | 162 Ų | 162 | 139 Ų | 139 | 70% | 0.704 | 75% | 0.745 | S | S | * | * | trans | -39.3 | 123.9 | 158.7 | -91.6 | 171 | 162.1 | -171.3 | 0 | 110.2 | E341 | K339-E341 VanDerWaalsContact C-N 3.34Å; K339-E341 HydrophobicContact CB-CG 4.31Å; K339-E341 HydrophobicContact CD-CG 3.99Å; K339-E341 WeakPolarHBondContact CD-OE1 3.39Å; K339-E341 WeakPolarHBondContact CE-OE1 3.49Å; K339-E341 HydrophobicContact CG-CG 4.42Å; K339-E341 IonicContact NZ-OE1 2.68Å; K339-E341 PolarHBondContact NZ-OE1 2.71Å; K339-E341 PolarHBondContact O-N 3.39Å | ||
| 340 | P | 47.4 | Very low | 47.9 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -85.9 | 87.6 | 147 | 31.1 | -20 | 0 | 0 | 0 | 106.4 | A338 A342 | A338-P340 WeakPolarHBondContact O-CD 3.47Å; P340-A342 PolarHBondContact O-N 3.18Å; P340-A342 VanDerWaalsContact O-N 3.08Å | ||
| 341 | E | 52.2 | Low | 48 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | trans | -66.1 | 105.5 | 161.6 | -83.7 | 179.4 | 178.9 | 0 | 0 | 107.9 | K339 E343 | K339-E341 VanDerWaalsContact C-N 3.34Å; K339-E341 HydrophobicContact CB-CG 4.31Å; K339-E341 HydrophobicContact CD-CG 3.99Å; K339-E341 WeakPolarHBondContact CD-OE1 3.39Å; K339-E341 WeakPolarHBondContact CE-OE1 3.49Å; K339-E341 HydrophobicContact CG-CG 4.42Å; K339-E341 IonicContact NZ-OE1 2.68Å; K339-E341 PolarHBondContact NZ-OE1 2.71Å; K339-E341 PolarHBondContact O-N 3.39Å; E341-E343 PolarHBondContact O-N 3.19Å | ||
| 342 | A | 48.9 | Very low | 48.3 | Very low | 90 Ų | 90 | 144.4 Ų | 144.4 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | trans | 22.8 | 89.2 | 140 | 0 | 0 | 0 | 0 | 0 | 117.3 | P340 | P340-A342 PolarHBondContact O-N 3.18Å; P340-A342 VanDerWaalsContact O-N 3.08Å | ||
| 343 | E | 46.3 | Very low | 48.3 | Very low | 202 Ų | 202 | 147.6 Ų | 147.6 | 94% | 0.944 | 83% | 0.828 | S | S | * | * | trans | -109.4 | 78.8 | 145.1 | -79.8 | -173.8 | 162.5 | 0 | 0 | 108.8 | E341 | E341-E343 PolarHBondContact O-N 3.19Š| ||
| 344 | Q | 51 | Low | 48.6 | Very low | 184 Ų | 184 | 146.2 Ų | 146.2 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -95.5 | 98.1 | 156.1 | -86.5 | 177.7 | -24.4 | 0 | 0 | 107.5 | ||||
| 345 | Q | 53 | Low | 49 | Very low | 195 Ų | 195 | 148.8 Ų | 148.8 | 91% | 0.911 | 84% | 0.842 | S | S | * | * | trans | -168.5 | 133.1 | 145.7 | -116 | 162 | -8.4 | 0 | 0 | 113.7 | ||||
| 346 | A | 46.5 | Very low | 49.3 | Very low | 86 Ų | 86 | 147.3 Ų | 147.3 | 71% | 0.711 | 84% | 0.843 | S | S | * | * | trans | 75.5 | 80.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 347 | C | 44.7 | Very low | 49.8 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 97% | 0.973 | 85% | 0.847 | S | S | * | * | trans | -125.3 | 87.2 | 138 | -83.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 348 | S | 49.4 | Very low | 50.3 | Low | 95 Ų | 95 | 145.1 Ų | 145.1 | 66% | 0.664 | 85% | 0.847 | S | S | * | * | trans | -128.8 | 135.7 | 162.4 | 44.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 349 | N | 47.7 | Very low | 50.7 | Low | 154 Ų | 154 | 149.8 Ų | 149.8 | 82% | 0.824 | 86% | 0.861 | S | S | * | * | trans | 89.5 | 88.6 | 165.5 | -53.6 | -18.7 | 0 | 0 | 0 | 117.5 | ||||
| 350 | I | 57.8 | Low | 50.7 | Low | 171 Ų | 171 | 148.8 Ų | 148.8 | 88% | 0.877 | 87% | 0.873 | S | S | * | * | trans | -120.9 | 104.6 | 139.7 | -60.9 | 176.9 | 0 | 0 | 0 | 106.4 | ||||
| 351 | N | 56.5 | Low | 51 | Low | 172 Ų | 172 | 150.7 Ų | 150.7 | 92% | 0.92 | 88% | 0.877 | S | S | * | * | trans | -140.7 | 105.4 | 159.8 | -103.7 | -7.6 | 0 | 0 | 0 | 105.9 | ||||
| 352 | A | 57.6 | Low | 50.9 | Low | 173 Ų | 173 | 151.5 Ų | 151.5 | 100% | 1.43 | 90% | 0.896 | S | S | * | * | trans | -154.4 | 0 | 158.2 | 0 | 0 | 0 | 0 | 0 | 107.3 |
Retrieved 352 of 352 residues in 143 ms
(Link to these results)