| 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 | 65.5 | Low | 93.9 | Very high | 173 Ų | 173 | 35.3 Ų | 35.3 | 85% | 0.852 | 19% | 0.188 | S | C | * | . | 0 | 140.9 | 0 | -166.3 | -177.3 | -81.6 | 0 | 0 | 108.7 | |||||
| 2 | T | 89.3 | Confident | 93.9 | Very high | 55 Ų | 55 | 39.5 Ų | 39.5 | 34% | 0.337 | 20% | 0.199 | S | C | . | . | trans | -76.2 | 129.1 | 174.9 | -52.2 | 0 | 0 | 0 | 0 | 109.7 | A28 E29 T31 | T2-A28 WeakPolarHBondContact CG2-O 3.5Å; T2-A28 PolarHBondContact OG1-O 2.72Å; T2-E29 CarbonylContact C-O 3.35Å; T2-E29 WeakPolarHBondContact CA-O 3.4Å; T2-T31 HydrophobicContact CG2-CG2 3.97Å | ||
| 3 | V | 95.9 | Very high | 94.1 | Very high | 14 Ų | 14 | 38.9 Ų | 38.9 | 9% | 0.085 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 124.5 | -178.8 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | V5 E29 I30 T31 D94 V95 T330 L331 A334 | V3-V5 HydrophobicContact CG1-CG2 4.07Å; V3-E29 PolarHBondContact N-O 3.09Å; V3-I30 HydrophobicContact CB-CG1 4.39Å; V3-I30 WeakPolarHBondContact O-CA 3.42Å; V3-T31 PolarHBondContact O-N 3.25Å; V3-D94 HydrophobicContact CG1-CB 3.98Å; V3-V95 HydrophobicContact CG1-CG2 4.06Å; V3-T330 HydrophobicContact CG1-CG2 4.41Å; V3-L331 HydrophobicContact CG2-CD2 3.93Å; V3-A334 HydrophobicContact CB-CB 4.41Å; V3-A334 HydrophobicContact CG1-CB 3.91Å; V3-A334 HydrophobicContact CG2-CB 3.54Å |
| 4 | R | 97.9 | Very high | 94.3 | Very high | 102 Ų | 102 | 36.1 Ų | 36.1 | 39% | 0.385 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 114 | 178.1 | -62.9 | 174.7 | 64.3 | 83 | -1.1 | 110.2 | T31 V33 L91 G92 D94 V95 | R4-T31 HydrophobicContact CB-CG2 4.38Å; R4-T31 HydrophobicContact CG-CG2 3.9Å; R4-V33 HydrophobicContact CB-CG1 3.95Å; R4-V33 HydrophobicContact CG-CG1 4.18Å; R4-L91 PolarHBondContact NE-O 2.92Å; R4-L91 PolarHBondContact NH2-O 2.72Å; R4-G92 WeakPolarHBondContact CB-O 3.38Å; R4-G92 WeakPolarHBondContact CD-O 3.13Å; R4-G92 PolarHBondContact NE-O 2.7Å; R4-G92 VanDerWaalsContact NE-O 3.15Å; R4-D94 WeakPolarHBondContact CB-OD2 3.45Å; R4-D94 PolarHBondContact N-OD2 3.47Å; R4-D94 WeakPolarHBondContact O-CB 3.4Å; R4-D94 PolarHBondContact O-N 2.81Å; R4-V95 PolarHBondContact O-N 3.4Å |
| 5 | V | 98.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 138.1 | -175 | 173 | 0 | 0 | 0 | 0 | 111.2 | V3 I7 I30 T31 V32 V33 V95 L97 T330 | V3-V5 HydrophobicContact CG1-CG2 4.07Å; V5-I7 HydrophobicContact CG1-CG1 4.44Å; V5-I30 HydrophobicContact CB-CG2 4.07Å; V5-I30 HydrophobicContact CG2-CG2 3.6Å; V5-T31 PolarHBondContact N-O 3.46Å; V5-V32 CarbonylContact O-C 3.59Å; V5-V32 WeakPolarHBondContact O-CA 3.37Å; V5-V33 WeakPolarHBondContact O-CG2 3.45Å; V5-V33 PolarHBondContact O-N 3.3Å; V5-V95 VanDerWaalsContact CA-O 3.28Å; V5-V95 WeakPolarHBondContact CA-O 2.89Å; V5-V95 HydrophobicContact CG2-CB 4.44Å; V5-L97 HydrophobicContact CG1-CD1 3.65Å; V5-L97 HydrophobicContact CG1-CG 3.67Å; V5-T330 HydrophobicContact CG2-CG2 3.78Å |
| 6 | A | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 146.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A34 W88 V93 V95 V96 L97 | A6-A34 CarbonylContact C-O 3.53Å; A6-A34 VanDerWaalsContact CA-O 3.26Å; A6-A34 WeakPolarHBondContact CA-O 3.36Å; A6-A34 HydrophobicContact CB-CB 4.26Å; A6-W88 HydrophobicContact CB-CE3 3.94Å; A6-W88 HydrophobicContact CB-CH2 3.76Å; A6-W88 HydrophobicContact CB-CZ2 4.33Å; A6-W88 HydrophobicContact CB-CZ3 3.55Å; A6-V93 HydrophobicContact CB-CB 4.48Å; A6-V93 HydrophobicContact CB-CG1 3.85Å; A6-V93 HydrophobicContact CB-CG2 3.73Å; A6-V95 PolarHBondContact N-O 3.02Å; A6-V95 VanDerWaalsContact N-O 3.12Å; A6-V96 HydrophobicContact CB-CG2 4.33Å; A6-V96 CarbonylContact O-C 3.34Å; A6-V96 WeakPolarHBondContact O-CA 3.35Å; A6-L97 PolarHBondContact O-N 2.67Å |
| 7 | I | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.6 | 177.5 | -59 | 176.3 | 0 | 0 | 0 | 108.7 | V5 G9 F10 V17 V18 V32 A34 I35 N36 L97 C99 | V5-I7 HydrophobicContact CG1-CG1 4.44Å; I7-G9 WeakPolarHBondContact CG2-O 3.44Å; I7-F10 HydrophobicContact CG2-CD2 4.44Å; I7-V17 HydrophobicContact CD1-CB 4.48Å; I7-V17 HydrophobicContact CD1-CG1 4.08Å; I7-V18 HydrophobicContact CD1-CG2 3.51Å; I7-V32 HydrophobicContact CD1-CG1 4.29Å; I7-V32 HydrophobicContact CD1-CG2 4.41Å; I7-V32 HydrophobicContact CG1-CG1 4.42Å; I7-A34 PolarHBondContact N-O 3.45Å; I7-I35 HydrophobicContact CB-CG1 4.28Å; I7-I35 CarbonylContact O-C 3.57Å; I7-I35 WeakPolarHBondContact O-CA 3.27Å; I7-N36 PolarHBondContact O-N 3.05Å; I7-L97 CarbonylContact C-O 3.55Å; I7-L97 WeakPolarHBondContact CA-O 3.42Å; I7-L97 HydrophobicContact CG1-CB 4.35Å; I7-L97 HydrophobicContact CG1-CD1 4.41Å; I7-C99 HydrophobicContact CG2-CB 4.45Å |
| 8 | N | 98.7 | Very high | 95.2 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 114.8 | 170.9 | -171.8 | 40.3 | 0 | 0 | 0 | 109.1 | N36 W88 V96 L97 D98 C99 T100 H112 | N8-N36 PolarHBondContact OD1-ND2 3.33Å; N8-W88 HydrophobicContact CB-CZ2 4.48Å; N8-V96 HydrophobicContact CB-CG1 4.4Å; N8-L97 PolarHBondContact N-O 3.02Å; N8-D98 PolarHBondContact ND2-OD2 3.48Å; N8-C99 CarbonylContact O-C 3.54Å; N8-C99 WeakPolarHBondContact O-CA 3.49Å; N8-C99 PolarHBondContact O-N 2.75Å; N8-T100 WeakPolarHBondContact O-CG2 3.27Å; N8-T100 PolarHBondContact O-N 3.05Å; N8-H112 PolarHBondContact ND2-CE1 2.82Å |
| 9 | G | 97.7 | Very high | 95.3 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 6% | 0.062 | 14% | 0.142 | C | C | . | . | trans | 89.3 | 113.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I7 N36 C99 | I7-G9 WeakPolarHBondContact CG2-O 3.44Å; G9-N36 PolarHBondContact N-O 3.27Å; G9-C99 WeakPolarHBondContact O-CB 3.37Å | ||
| 10 | F | 97.5 | Very high | 95.4 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.018 | 14% | 0.135 | C | C | . | . | trans | -111.1 | 40.7 | -177.9 | -153.5 | -127.5 | 0 | 0 | 0 | 112.4 | I7 G14 R15 V18 I35 E37 M44 L48 L68 | I7-F10 HydrophobicContact CG2-CD2 4.44Å; F10-G14 WeakPolarHBondContact CE2-O 3.3Å; F10-R15 HydrophobicContact CD1-CG 3.83Å; F10-R15 HydrophobicContact CD2-CG 4.2Å; F10-R15 HydrophobicContact CE1-CG 3.68Å; F10-R15 HydrophobicContact CE2-CB 4.47Å; F10-R15 HydrophobicContact CE2-CG 4.02Å; F10-R15 HydrophobicContact CG-CG 4.1Å; F10-R15 HydrophobicContact CZ-CB 4.41Å; F10-R15 HydrophobicContact CZ-CG 3.77Å; F10-R15 PolarHBondContact O-NH1 3.42Å; F10-V18 HydrophobicContact CE2-CB 4.33Å; F10-V18 HydrophobicContact CE2-CG2 3.65Å; F10-V18 HydrophobicContact CZ-CB 4.48Å; F10-V18 HydrophobicContact CZ-CG2 4.12Å; F10-I35 HydrophobicContact CB-CG2 3.61Å; F10-I35 HydrophobicContact CD1-CG2 4.14Å; F10-I35 HydrophobicContact CD2-CD1 4.09Å; F10-I35 HydrophobicContact CD2-CG1 4.37Å; F10-I35 HydrophobicContact CD2-CG2 3.58Å; F10-I35 HydrophobicContact CE1-CD1 4.33Å; F10-I35 HydrophobicContact CE2-CD1 3.64Å; F10-I35 HydrophobicContact CE2-CG1 4.32Å; F10-I35 HydrophobicContact CE2-CG2 4.27Å; F10-I35 HydrophobicContact CG-CG2 3.52Å; F10-I35 HydrophobicContact CZ-CD1 3.76Å; F10-E37 WeakPolarHBondContact CA-OE2 3.36Å; F10-E37 HydrophobicContact CB-CB 3.73Å; F10-E37 HydrophobicContact CB-CG 3.94Å; F10-E37 PolarHBondContact N-OE2 2.85Å; F10-M44 HydrophobicContact CB-CE 4.12Å; F10-M44 HydrophobicContact CD1-CB 3.96Å; F10-M44 HydrophobicContact CD1-CE 3.72Å; F10-M44 HydrophobicContact CD1-CG 4.19Å; F10-M44 HydrophobicContact CE1-CB 4.31Å; F10-M44 HydrophobicContact CE1-CE 4.43Å; F10-M44 HydrophobicContact CG-CE 4.13Å; F10-L48 HydrophobicContact CE1-CB 4.26Å; F10-L48 HydrophobicContact CZ-CB 4.45Å; F10-L48 HydrophobicContact CZ-CD1 4.08Å; F10-L48 HydrophobicContact CZ-CD2 4.15Å; F10-L48 HydrophobicContact CZ-CG 4.46Å; F10-L68 HydrophobicContact CE1-CD2 4.33Å; F10-L68 HydrophobicContact CZ-CD2 4.5Å | ||
| 11 | G | 94.5 | Very high | 95.5 | Very high | 29 Ų | 29 | 26 Ų | 26 | 30% | 0.299 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -69.3 | -159.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113 | I13 G14 R15 | G11-I13 PolarHBondContact O-N 3.15Å; G11-G14 PolarHBondContact O-N 3.06Å; G11-R15 WeakPolarHBondContact O-CB 3.44Å; G11-R15 WeakPolarHBondContact O-CG 3.44Å; G11-R15 PolarHBondContact O-N 3.25Å; G11-R15 PolarHBondContact O-NH1 3.07Å |
| 12 | R | 94.1 | Very high | 97.1 | Very high | 86 Ų | 86 | 18.2 Ų | 18.2 | 33% | 0.325 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -58.7 | -46.1 | -176.6 | -64.6 | 175.9 | 74 | 121.4 | -1.6 | 112.1 | N16 S53 E319 | R12-N16 WeakPolarHBondContact O-CB 3.38Å; R12-N16 PolarHBondContact O-N 3.28Å; R12-N16 VanDerWaalsContact O-N 3.09Å; R12-N16 PolarHBondContact O-ND2 3Å; R12-S53 PolarHBondContact NH2-OG 3.28Å; R12-E319 IonicContact CZ-OE1 3.96Å; R12-E319 IonicContact NE-OE1 3.38Å; R12-E319 PolarHBondContact NE-OE1 3.49Å; R12-E319 IonicContact NE-OE2 2.7Å; R12-E319 IonicContact NH2-OE1 2.98Å; R12-E319 PolarHBondContact NH2-OE1 3.38Å; R12-E319 IonicContact NH2-OE2 3.72Å |
| 13 | I | 96 | Very high | 97.4 | Very high | 32 Ų | 32 | 19.4 Ų | 19.4 | 16% | 0.164 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.4 | -50.1 | 178 | -59.3 | -52.3 | 0 | 0 | 0 | 111.6 | G11 R15 N16 V17 C99 E319 F322 | G11-I13 PolarHBondContact O-N 3.15Å; I13-R15 VanDerWaalsContact C-N 3.29Å; I13-R15 PolarHBondContact O-N 2.96Å; I13-N16 PolarHBondContact O-N 2.89Å; I13-N16 VanDerWaalsContact O-N 3.09Å; I13-V17 HydrophobicContact CG2-CG2 4.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.3Å; I13-V17 PolarHBondContact O-N 3.46Å; I13-C99 HydrophobicContact CG2-CB 4.46Å; I13-E319 HydrophobicContact CD1-CB 4.18Å; I13-E319 HydrophobicContact CD1-CG 4.12Å; I13-F322 HydrophobicContact CD1-CD1 3.98Å; I13-F322 HydrophobicContact CG1-CD1 4.48Å; I13-F322 HydrophobicContact CG2-CD1 4.14Å; I13-F322 HydrophobicContact CG2-CE1 4.13Å |
| 14 | G | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57 | -41.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F10 G11 V17 V18 | F10-G14 WeakPolarHBondContact CE2-O 3.3Å; G11-G14 PolarHBondContact O-N 3.06Å; G14-V17 PolarHBondContact O-N 3.23Å; G14-V18 PolarHBondContact O-N 2.74Å |
| 15 | R | 97.9 | Very high | 97 | Very high | 31 Ų | 31 | 18.9 Ų | 18.9 | 12% | 0.117 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.9 | -44.8 | 174.4 | -70.4 | -170.8 | -58.1 | -94.3 | 10.1 | 112.5 | F10 G11 I13 V17 V18 R19 L48 | F10-R15 HydrophobicContact CD1-CG 3.83Å; F10-R15 HydrophobicContact CD2-CG 4.2Å; F10-R15 HydrophobicContact CE1-CG 3.68Å; F10-R15 HydrophobicContact CE2-CB 4.47Å; F10-R15 HydrophobicContact CE2-CG 4.02Å; F10-R15 HydrophobicContact CG-CG 4.1Å; F10-R15 HydrophobicContact CZ-CB 4.41Å; F10-R15 HydrophobicContact CZ-CG 3.77Å; F10-R15 PolarHBondContact O-NH1 3.42Å; G11-R15 WeakPolarHBondContact O-CB 3.44Å; G11-R15 WeakPolarHBondContact O-CG 3.44Å; G11-R15 PolarHBondContact O-N 3.25Å; G11-R15 PolarHBondContact O-NH1 3.07Å; I13-R15 VanDerWaalsContact C-N 3.29Å; I13-R15 PolarHBondContact O-N 2.96Å; R15-V17 VanDerWaalsContact C-N 3.31Å; R15-V17 PolarHBondContact O-N 3.17Å; R15-V18 PolarHBondContact O-N 3.45Å; R15-R19 WeakPolarHBondContact O-CG 3.39Å; R15-R19 PolarHBondContact O-N 3.22Å; R15-L48 HydrophobicContact CB-CD1 4.3Å |
| 16 | N | 97.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.011 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.7 | -30.8 | 179.3 | -77.2 | -48.7 | 0 | 0 | 0 | 112.7 | R12 I13 R19 A20 H54 E319 W320 A323 | R12-N16 WeakPolarHBondContact O-CB 3.38Å; R12-N16 PolarHBondContact O-N 3.28Å; R12-N16 VanDerWaalsContact O-N 3.09Å; R12-N16 PolarHBondContact O-ND2 3Å; I13-N16 PolarHBondContact O-N 2.89Å; I13-N16 VanDerWaalsContact O-N 3.09Å; N16-R19 PolarHBondContact O-N 3.29Å; N16-A20 WeakPolarHBondContact O-CB 3.43Å; N16-A20 PolarHBondContact O-N 3.11Å; N16-H54 PolarHBondContact OD1-CD2 2.82Å; N16-E319 WeakPolarHBondContact ND2-CB 3.48Å; N16-E319 PolarHBondContact ND2-OE2 2.82Å; N16-W320 HydrophobicContact CB-CE3 4.24Å; N16-A323 HydrophobicContact CB-CB 3.81Å |
| 17 | V | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.2 | -45.5 | 171.3 | 168 | 0 | 0 | 0 | 0 | 111 | I7 I13 G14 R15 L21 L97 A323 M326 L327 | I7-V17 HydrophobicContact CD1-CB 4.48Å; I7-V17 HydrophobicContact CD1-CG1 4.08Å; I13-V17 HydrophobicContact CG2-CG2 4.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.3Å; I13-V17 PolarHBondContact O-N 3.46Å; G14-V17 PolarHBondContact O-N 3.23Å; R15-V17 VanDerWaalsContact C-N 3.31Å; R15-V17 PolarHBondContact O-N 3.17Å; V17-L21 WeakPolarHBondContact O-CB 3.36Å; V17-L21 PolarHBondContact O-N 2.92Å; V17-L97 HydrophobicContact CG1-CD1 3.61Å; V17-A323 HydrophobicContact CG2-CB 3.99Å; V17-M326 HydrophobicContact CG2-CB 3.95Å; V17-M326 HydrophobicContact CG2-CG 4.31Å; V17-L327 HydrophobicContact CG1-CD2 3.91Å |
| 18 | V | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.4 | -47.9 | 175.2 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | I7 F10 G14 R15 A20 L21 Y22 V32 I35 L48 | I7-V18 HydrophobicContact CD1-CG2 3.51Å; F10-V18 HydrophobicContact CE2-CB 4.33Å; F10-V18 HydrophobicContact CE2-CG2 3.65Å; F10-V18 HydrophobicContact CZ-CB 4.48Å; F10-V18 HydrophobicContact CZ-CG2 4.12Å; G14-V18 PolarHBondContact O-N 2.74Å; R15-V18 PolarHBondContact O-N 3.45Å; V18-A20 PolarHBondContact O-N 3.36Å; V18-L21 WeakPolarHBondContact O-CB 3.44Å; V18-L21 PolarHBondContact O-N 3.08Å; V18-Y22 HydrophobicContact CG1-CD2 4.18Å; V18-Y22 HydrophobicContact CG1-CE2 3.98Å; V18-Y22 WeakPolarHBondContact O-CD2 3.47Å; V18-Y22 PolarHBondContact O-N 2.74Å; V18-V32 HydrophobicContact CG2-CG2 4.44Å; V18-I35 HydrophobicContact CG2-CD1 4.24Å; V18-L48 HydrophobicContact CB-CD1 4.3Å; V18-L48 HydrophobicContact CG1-CD1 4.19Å; V18-L48 HydrophobicContact CG1-CD2 4.17Å |
| 19 | R | 98.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.2 | -49.6 | 178.3 | -72 | -176.4 | 160 | -147.6 | 5.5 | 112.4 | R15 N16 L21 Y22 E23 L48 K49 H54 G55 F57 W320 | R15-R19 WeakPolarHBondContact O-CG 3.39Å; R15-R19 PolarHBondContact O-N 3.22Å; N16-R19 PolarHBondContact O-N 3.29Å; R19-L21 VanDerWaalsContact C-N 3.28Å; R19-L21 PolarHBondContact O-N 3.34Å; R19-Y22 PolarHBondContact O-N 2.73Å; R19-Y22 VanDerWaalsContact O-N 3.12Å; R19-E23 WeakPolarHBondContact O-CB 3.31Å; R19-E23 WeakPolarHBondContact O-CG 3.48Å; R19-E23 PolarHBondContact O-N 2.95Å; R19-L48 HydrophobicContact CG-CD1 3.78Å; R19-L48 PolarHBondContact NE-O 2.94Å; R19-L48 PolarHBondContact NH2-O 3.35Å; R19-K49 PolarHBondContact NH2-O 3.38Å; R19-H54 PolarHBondContact NH1-O 3.1Å; R19-H54 VanDerWaalsContact NH1-O 3.07Å; R19-G55 PolarHBondContact NH1-O 2.78Å; R19-G55 PolarHBondContact NH2-O 3.2Å; R19-F57 HydrophobicContact CB-CD2 4.21Å; R19-F57 HydrophobicContact CB-CE2 3.89Å; R19-F57 HydrophobicContact CB-CZ 4.27Å; R19-F57 HydrophobicContact CG-CD1 4.19Å; R19-F57 HydrophobicContact CG-CD2 3.74Å; R19-F57 HydrophobicContact CG-CE1 4.22Å; R19-F57 HydrophobicContact CG-CE2 3.79Å; R19-F57 HydrophobicContact CG-CG 3.96Å; R19-F57 HydrophobicContact CG-CZ 4.04Å; R19-W320 HydrophobicContact CB-CH2 3.75Å; R19-W320 HydrophobicContact CB-CZ3 3.54Å |
| 20 | A | 97.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.1 | -39.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N16 V18 Y22 E23 S24 W320 A323 L327 | N16-A20 WeakPolarHBondContact O-CB 3.43Å; N16-A20 PolarHBondContact O-N 3.11Å; V18-A20 PolarHBondContact O-N 3.36Å; A20-Y22 VanDerWaalsContact C-N 3.31Å; A20-Y22 PolarHBondContact O-N 3.47Å; A20-E23 PolarHBondContact O-N 3.46Å; A20-S24 WeakPolarHBondContact O-CB 3.35Å; A20-S24 PolarHBondContact O-N 2.87Å; A20-S24 PolarHBondContact O-OG 2.82Å; A20-W320 HydrophobicContact CB-CH2 4.22Å; A20-W320 HydrophobicContact CB-CZ2 4.41Å; A20-W320 HydrophobicContact CB-CZ3 4.44Å; A20-A323 HydrophobicContact CB-CB 4.36Å; A20-L327 HydrophobicContact CB-CD1 3.86Å |
| 21 | L | 97.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | 177.6 | 174.4 | 61.3 | 0 | 0 | 0 | 112.5 | V17 V18 R19 S24 R26 R27 I30 V32 L327 | V17-L21 WeakPolarHBondContact O-CB 3.36Å; V17-L21 PolarHBondContact O-N 2.92Å; V18-L21 WeakPolarHBondContact O-CB 3.44Å; V18-L21 PolarHBondContact O-N 3.08Å; R19-L21 VanDerWaalsContact C-N 3.28Å; R19-L21 PolarHBondContact O-N 3.34Å; L21-S24 PolarHBondContact O-OG 2.69Å; L21-R26 HydrophobicContact CD1-CB 3.95Å; L21-R26 PolarHBondContact O-N 3.44Å; L21-R27 HydrophobicContact CG-CG 4.22Å; L21-I30 HydrophobicContact CD1-CB 3.74Å; L21-I30 HydrophobicContact CD1-CG2 4.16Å; L21-I30 HydrophobicContact CD2-CB 4.46Å; L21-I30 HydrophobicContact CD2-CG2 4.04Å; L21-V32 HydrophobicContact CD2-CG2 3.66Å; L21-L327 HydrophobicContact CB-CD1 4.22Å; L21-L327 HydrophobicContact CB-CD2 4.26Å |
| 22 | Y | 97.6 | Very high | 95.9 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 4% | 0.035 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -81 | -37.8 | -177.5 | -77.9 | -109.6 | 0 | 0 | 0 | 112 | V18 R19 A20 G25 R27 F57 W59 V70 D73 | V18-Y22 HydrophobicContact CG1-CD2 4.18Å; V18-Y22 HydrophobicContact CG1-CE2 3.98Å; V18-Y22 WeakPolarHBondContact O-CD2 3.47Å; V18-Y22 PolarHBondContact O-N 2.74Å; R19-Y22 PolarHBondContact O-N 2.73Å; R19-Y22 VanDerWaalsContact O-N 3.12Å; A20-Y22 VanDerWaalsContact C-N 3.31Å; A20-Y22 PolarHBondContact O-N 3.47Å; Y22-G25 PolarHBondContact O-N 3.44Å; Y22-R27 VanDerWaalsContact CD1-CD 3.46Å; Y22-R27 HydrophobicContact CG-CG 4.49Å; Y22-F57 HydrophobicContact CG-CZ 4.08Å; Y22-W59 AromaticContact CD1-CD2 3.75Å; Y22-W59 HydrophobicContact CD1-CD2 3.75Å; Y22-W59 AromaticContact CD1-CE2 3.97Å; Y22-W59 HydrophobicContact CD1-CE3 4Å; Y22-W59 HydrophobicContact CD1-CG 4.05Å; Y22-W59 HydrophobicContact CD1-CZ2 4.41Å; Y22-W59 HydrophobicContact CD1-CZ3 4.44Å; Y22-V70 HydrophobicContact CD1-CB 4.38Å; Y22-V70 HydrophobicContact CD1-CG1 3.53Å; Y22-V70 HydrophobicContact CD2-CG1 4.34Å; Y22-V70 HydrophobicContact CE1-CB 3.64Å; Y22-V70 HydrophobicContact CE1-CG1 3.29Å; Y22-V70 WeakPolarHBondContact CE1-O 3.48Å; Y22-V70 HydrophobicContact CE2-CB 4.32Å; Y22-V70 HydrophobicContact CE2-CG1 4.12Å; Y22-V70 HydrophobicContact CG-CG1 4.07Å; Y22-D73 HydrophobicContact CE1-CB 4.49Å; Y22-D73 WeakPolarHBondContact OH-CB 3.49Å; Y22-D73 PolarHBondContact OH-OD2 2.92Å |
| 23 | E | 96.5 | Very high | 96.1 | Very high | 79 Ų | 79 | 30 Ų | 30 | 37% | 0.369 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -75.4 | -31.3 | -179 | -69 | 179.6 | -147 | 0 | 0 | 112.9 | R19 A20 G25 F57 H290 W320 | R19-E23 WeakPolarHBondContact O-CB 3.31Å; R19-E23 WeakPolarHBondContact O-CG 3.48Å; R19-E23 PolarHBondContact O-N 2.95Å; A20-E23 PolarHBondContact O-N 3.46Å; E23-G25 VanDerWaalsContact C-N 3.27Å; E23-G25 PolarHBondContact O-N 2.96Å; E23-F57 HydrophobicContact CG-CE2 3.99Å; E23-F57 VanDerWaalsContact OE1-CD2 3.27Å; E23-F57 WeakPolarHBondContact OE1-CD2 3.4Å; E23-F57 WeakPolarHBondContact OE1-CE2 3.36Å; E23-H290 IonicContact OE2-CE1 3.74Å; E23-H290 IonicContact OE2-NE2 2.66Å; E23-H290 PolarHBondContact OE2-NE2 3.47Å; E23-W320 HydrophobicContact CB-CH2 4.43Å; E23-W320 HydrophobicContact CB-CZ2 4.35Å; E23-W320 HydrophobicContact CG-CH2 4.43Å; E23-W320 WeakPolarHBondContact OE2-CH2 3.45Å; E23-W320 WeakPolarHBondContact OE2-CZ2 3.38Å |
| 24 | S | 93.9 | Very high | 96.2 | Very high | 52 Ų | 52 | 28.5 Ų | 28.5 | 36% | 0.364 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -7.8 | 173.1 | 62.3 | 0 | 0 | 0 | 0 | 113.8 | A20 L21 R26 | A20-S24 WeakPolarHBondContact O-CB 3.35Å; A20-S24 PolarHBondContact O-N 2.87Å; A20-S24 PolarHBondContact O-OG 2.82Å; L21-S24 PolarHBondContact O-OG 2.69Å; S24-R26 VanDerWaalsContact C-N 3.27Å; S24-R26 PolarHBondContact O-N 3.09Å; S24-R26 VanDerWaalsContact OG-CD 3.31Å; S24-R26 WeakPolarHBondContact OG-CD 3.49Å; S24-R26 VanDerWaalsContact OG-CG 3.25Å; S24-R26 WeakPolarHBondContact OG-CG 3.26Å |
| 25 | G | 91.9 | Very high | 96.3 | Very high | 54 Ų | 54 | 28.5 Ų | 28.5 | 56% | 0.557 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 13.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y22 E23 R27 | Y22-G25 PolarHBondContact O-N 3.44Å; E23-G25 VanDerWaalsContact C-N 3.27Å; E23-G25 PolarHBondContact O-N 2.96Å; G25-R27 PolarHBondContact O-N 3.26Å; G25-R27 VanDerWaalsContact O-N 3.16Å |
| 26 | R | 92.7 | Very high | 96.3 | Very high | 38 Ų | 38 | 27.3 Ų | 27.3 | 14% | 0.143 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -83.3 | 15.8 | -172.3 | -62.4 | 177.6 | 75.8 | 176.1 | 15.4 | 114.8 | L21 S24 A28 E29 I30 D328 | L21-R26 HydrophobicContact CD1-CB 3.95Å; L21-R26 PolarHBondContact O-N 3.44Å; S24-R26 VanDerWaalsContact C-N 3.27Å; S24-R26 PolarHBondContact O-N 3.09Å; S24-R26 VanDerWaalsContact OG-CD 3.31Å; S24-R26 WeakPolarHBondContact OG-CD 3.49Å; S24-R26 VanDerWaalsContact OG-CG 3.25Å; S24-R26 WeakPolarHBondContact OG-CG 3.26Å; R26-A28 PolarHBondContact O-N 2.78Å; R26-E29 WeakPolarHBondContact CB-OE1 3.21Å; R26-E29 VanDerWaalsContact CG-OE1 3.24Å; R26-E29 WeakPolarHBondContact CG-OE1 3.4Å; R26-E29 IonicContact CZ-OE1 3.1Å; R26-E29 IonicContact NE-OE1 2.67Å; R26-E29 PolarHBondContact NE-OE1 2.92Å; R26-E29 WeakPolarHBondContact O-CA 3.23Å; R26-E29 WeakPolarHBondContact O-CB 3.48Å; R26-E29 PolarHBondContact O-N 3.34Å; R26-I30 PolarHBondContact O-N 3.42Å; R26-D328 IonicContact CZ-OD1 3.79Å; R26-D328 IonicContact NH1-OD1 3.53Å; R26-D328 PolarHBondContact NH1-OD1 2.92Å; R26-D328 IonicContact NH2-OD1 3.57Å; R26-D328 PolarHBondContact NH2-OD1 3.34Å; R26-D328 VanDerWaalsContact NH2-OD1 3.15Å |
| 27 | R | 93.5 | Very high | 96.3 | Very high | 89 Ų | 89 | 29.1 Ų | 29.1 | 34% | 0.336 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -63.7 | -21.5 | -179.4 | -60.9 | -174.3 | -58 | 114.8 | 4.2 | 113.7 | L21 Y22 G25 E29 I30 D73 | L21-R27 HydrophobicContact CG-CG 4.22Å; Y22-R27 VanDerWaalsContact CD1-CD 3.46Å; Y22-R27 HydrophobicContact CG-CG 4.49Å; G25-R27 PolarHBondContact O-N 3.26Å; G25-R27 VanDerWaalsContact O-N 3.16Å; R27-E29 VanDerWaalsContact C-N 3.31Å; R27-I30 CarbonylContact C-O 3.59Å; R27-I30 WeakPolarHBondContact CA-O 3.23Å; R27-D73 WeakPolarHBondContact CD-OD2 3.46Å; R27-D73 IonicContact CZ-OD2 2.68Å; R27-D73 IonicContact NH1-OD1 3.67Å; R27-D73 IonicContact NH1-OD2 3.9Å; R27-D73 PolarHBondContact NH1-OD2 2.56Å |
| 28 | A | 88.9 | Confident | 96.2 | Very high | 80 Ų | 80 | 33.3 Ų | 33.3 | 66% | 0.661 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -71.9 | -26.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T2 R26 | T2-A28 WeakPolarHBondContact CG2-O 3.5Å; T2-A28 PolarHBondContact OG1-O 2.72Å; R26-A28 PolarHBondContact O-N 2.78Å |
| 29 | E | 93 | Very high | 96.1 | Very high | 84 Ų | 84 | 35.7 Ų | 35.7 | 39% | 0.393 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -38.6 | -178.5 | -55.5 | 178.9 | -84.2 | 0 | 0 | 112.1 | T2 V3 R26 R27 L331 | T2-E29 CarbonylContact C-O 3.35Å; T2-E29 WeakPolarHBondContact CA-O 3.4Å; V3-E29 PolarHBondContact N-O 3.09Å; R26-E29 WeakPolarHBondContact CB-OE1 3.21Å; R26-E29 VanDerWaalsContact CG-OE1 3.24Å; R26-E29 WeakPolarHBondContact CG-OE1 3.4Å; R26-E29 IonicContact CZ-OE1 3.1Å; R26-E29 IonicContact NE-OE1 2.67Å; R26-E29 PolarHBondContact NE-OE1 2.92Å; R26-E29 WeakPolarHBondContact O-CA 3.23Å; R26-E29 WeakPolarHBondContact O-CB 3.48Å; R26-E29 PolarHBondContact O-N 3.34Å; R27-E29 VanDerWaalsContact C-N 3.31Å; E29-L331 HydrophobicContact CB-CD1 4.08Å; E29-L331 HydrophobicContact CB-CD2 4.14Å; E29-L331 HydrophobicContact CG-CD1 4.47Å; E29-L331 WeakPolarHBondContact OE2-CD1 3.44Å |
| 30 | I | 97.1 | Very high | 96 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135.5 | -178.7 | -63 | 168.6 | 0 | 0 | 0 | 110 | V3 V5 L21 R26 R27 L327 T330 L331 | V3-I30 HydrophobicContact CB-CG1 4.39Å; V3-I30 WeakPolarHBondContact O-CA 3.42Å; V5-I30 HydrophobicContact CB-CG2 4.07Å; V5-I30 HydrophobicContact CG2-CG2 3.6Å; L21-I30 HydrophobicContact CD1-CB 3.74Å; L21-I30 HydrophobicContact CD1-CG2 4.16Å; L21-I30 HydrophobicContact CD2-CB 4.46Å; L21-I30 HydrophobicContact CD2-CG2 4.04Å; R26-I30 PolarHBondContact O-N 3.42Å; R27-I30 CarbonylContact C-O 3.59Å; R27-I30 WeakPolarHBondContact CA-O 3.23Å; I30-L327 HydrophobicContact CD1-CB 4.22Å; I30-L327 HydrophobicContact CD1-CD2 3.85Å; I30-T330 HydrophobicContact CD1-CG2 4.25Å; I30-L331 HydrophobicContact CD1-CD2 3.84Å; I30-L331 HydrophobicContact CD1-CG 3.94Å; I30-L331 HydrophobicContact CG1-CD2 3.56Å; I30-L331 HydrophobicContact CG1-CG 4.22Å |
| 31 | T | 97.3 | Very high | 95.9 | Very high | 45 Ų | 45 | 41.2 Ų | 41.2 | 28% | 0.276 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 132.4 | 168.6 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | T2 V3 R4 V5 V33 | T2-T31 HydrophobicContact CG2-CG2 3.97Å; V3-T31 PolarHBondContact O-N 3.25Å; R4-T31 HydrophobicContact CB-CG2 4.38Å; R4-T31 HydrophobicContact CG-CG2 3.9Å; V5-T31 PolarHBondContact N-O 3.46Å; T31-V33 HydrophobicContact CG2-CG1 3.99Å |
| 32 | V | 98.3 | Very high | 95.8 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 116 | 173.3 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | V5 I7 V18 L21 I35 I75 | V5-V32 CarbonylContact O-C 3.59Å; V5-V32 WeakPolarHBondContact O-CA 3.37Å; I7-V32 HydrophobicContact CD1-CG1 4.29Å; I7-V32 HydrophobicContact CD1-CG2 4.41Å; I7-V32 HydrophobicContact CG1-CG1 4.42Å; V18-V32 HydrophobicContact CG2-CG2 4.44Å; L21-V32 HydrophobicContact CD2-CG2 3.66Å; V32-I35 HydrophobicContact CG1-CD1 4.39Å; V32-I35 HydrophobicContact CG1-CG1 3.99Å; V32-I75 HydrophobicContact CB-CD1 4.17Å; V32-I75 HydrophobicContact CG1-CD1 4.21Å; V32-I75 HydrophobicContact CG1-CG2 3.86Å |
| 33 | V | 97.9 | Very high | 95.8 | Very high | 17 Ų | 17 | 44.5 Ų | 44.5 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -27.3 | -175.5 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | R4 V5 T31 R76 L91 V93 | R4-V33 HydrophobicContact CB-CG1 3.95Å; R4-V33 HydrophobicContact CG-CG1 4.18Å; V5-V33 WeakPolarHBondContact O-CG2 3.45Å; V5-V33 PolarHBondContact O-N 3.3Å; T31-V33 HydrophobicContact CG2-CG1 3.99Å; V33-R76 WeakPolarHBondContact O-CB 3.48Å; V33-R76 PolarHBondContact O-N 2.94Å; V33-R76 VanDerWaalsContact O-N 3.11Å; V33-L91 HydrophobicContact CG2-CB 4.43Å; V33-V93 HydrophobicContact CG2-CG2 4.01Å |
| 34 | A | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 151.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A6 I7 R76 L78 W88 L91 | A6-A34 CarbonylContact C-O 3.53Å; A6-A34 VanDerWaalsContact CA-O 3.26Å; A6-A34 WeakPolarHBondContact CA-O 3.36Å; A6-A34 HydrophobicContact CB-CB 4.26Å; I7-A34 PolarHBondContact N-O 3.45Å; A34-R76 CarbonylContact C-O 3.52Å; A34-R76 WeakPolarHBondContact CA-O 3.48Å; A34-R76 HydrophobicContact CB-CB 4.1Å; A34-L78 HydrophobicContact CB-CD1 4.34Å; A34-W88 HydrophobicContact CB-CZ3 4.11Å; A34-L91 HydrophobicContact CB-CD1 3.61Å |
| 35 | I | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 123.8 | 170.9 | -64.4 | 163.6 | 0 | 0 | 0 | 107.7 | I7 F10 V18 V32 M44 L68 I75 R76 V77 L78 | I7-I35 HydrophobicContact CB-CG1 4.28Å; I7-I35 CarbonylContact O-C 3.57Å; I7-I35 WeakPolarHBondContact O-CA 3.27Å; F10-I35 HydrophobicContact CB-CG2 3.61Å; F10-I35 HydrophobicContact CD1-CG2 4.14Å; F10-I35 HydrophobicContact CD2-CD1 4.09Å; F10-I35 HydrophobicContact CD2-CG1 4.37Å; F10-I35 HydrophobicContact CD2-CG2 3.58Å; F10-I35 HydrophobicContact CE1-CD1 4.33Å; F10-I35 HydrophobicContact CE2-CD1 3.64Å; F10-I35 HydrophobicContact CE2-CG1 4.32Å; F10-I35 HydrophobicContact CE2-CG2 4.27Å; F10-I35 HydrophobicContact CG-CG2 3.52Å; F10-I35 HydrophobicContact CZ-CD1 3.76Å; V18-I35 HydrophobicContact CG2-CD1 4.24Å; V32-I35 HydrophobicContact CG1-CD1 4.39Å; V32-I35 HydrophobicContact CG1-CG1 3.99Å; I35-M44 HydrophobicContact CB-CE 4.25Å; I35-M44 HydrophobicContact CG2-CE 3.46Å; I35-M44 VanDerWaalsContact CG2-CE 3.46Å; I35-L68 HydrophobicContact CD1-CD2 4.03Å; I35-I75 HydrophobicContact CB-CG2 4.49Å; I35-I75 HydrophobicContact CD1-CD1 4.33Å; I35-I75 HydrophobicContact CD1-CG2 3.8Å; I35-I75 HydrophobicContact CG1-CG2 3.83Å; I35-R76 PolarHBondContact N-O 3.47Å; I35-V77 WeakPolarHBondContact O-CA 3.33Å; I35-L78 PolarHBondContact O-N 2.87Å |
| 36 | N | 98.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.032 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 124.5 | 170.5 | -175.5 | 60.9 | 0 | 0 | 0 | 110.1 | I7 N8 G9 L78 H79 E80 L86 W88 | I7-N36 PolarHBondContact O-N 3.05Å; N8-N36 PolarHBondContact OD1-ND2 3.33Å; G9-N36 PolarHBondContact N-O 3.27Å; N36-L78 WeakPolarHBondContact CA-O 3.43Å; N36-L78 HydrophobicContact CB-CB 4.1Å; N36-L78 VanDerWaalsContact OD1-C 3.26Å; N36-L78 WeakPolarHBondContact OD1-CB 3.42Å; N36-L78 PolarHBondContact OD1-O 3.44Å; N36-H79 PolarHBondContact OD1-N 2.99Å; N36-E80 PolarHBondContact ND2-O 2.91Å; N36-E80 PolarHBondContact OD1-N 3.46Å; N36-L86 HydrophobicContact CB-CD2 3.95Å; N36-W88 HydrophobicContact CB-CH2 4.16Å |
| 37 | E | 97.6 | Very high | 96.5 | Very high | 40 Ų | 40 | 43.8 Ų | 43.8 | 19% | 0.187 | 26% | 0.256 | C | S | . | . | trans | -151.8 | 143.1 | 177.1 | 173.4 | 52.5 | -109 | 0 | 0 | 109.1 | F10 A39 M44 L78 H79 | F10-E37 WeakPolarHBondContact CA-OE2 3.36Å; F10-E37 HydrophobicContact CB-CB 3.73Å; F10-E37 HydrophobicContact CB-CG 3.94Å; F10-E37 PolarHBondContact N-OE2 2.85Å; E37-A39 HydrophobicContact CG-CB 3.83Å; E37-A39 PolarHBondContact OE1-N 2.92Å; E37-A39 VanDerWaalsContact OE1-N 3.15Å; E37-M44 HydrophobicContact CB-CE 3.72Å; E37-M44 HydrophobicContact CB-CG 4.34Å; E37-M44 HydrophobicContact CB-SD 3.73Å; E37-M44 HydrophobicContact CG-CE 4.38Å; E37-M44 HydrophobicContact CG-CG 3.99Å; E37-M44 HydrophobicContact CG-SD 3.97Å; E37-L78 PolarHBondContact N-O 2.94Å; E37-L78 VanDerWaalsContact O-O 3.1Å; E37-H79 WeakPolarHBondContact O-CA 3.21Å; E37-H79 PolarHBondContact O-ND1 2.73Å | ||
| 38 | L | 96.3 | Very high | 96.7 | Very high | 90 Ų | 90 | 39.5 Ų | 39.5 | 47% | 0.471 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -81.8 | -20.3 | -178.5 | -58.5 | -176.3 | 0 | 0 | 0 | 112.9 | R81 | L38-R81 HydrophobicContact CD1-CG 4.03Å; L38-R81 HydrophobicContact CD2-CB 4.35Å; L38-R81 HydrophobicContact CD2-CG 3.53Å; L38-R81 HydrophobicContact CG-CG 4.45Å |
| 39 | A | 95.6 | Very high | 97.1 | Very high | 51 Ų | 51 | 37.9 Ų | 37.9 | 42% | 0.421 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -67.9 | 159.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E37 H79 | E37-A39 HydrophobicContact CG-CB 3.83Å; E37-A39 PolarHBondContact OE1-N 2.92Å; E37-A39 VanDerWaalsContact OE1-N 3.15Å; A39-H79 PolarHBondContact O-CE1 2.89Å; A39-H79 PolarHBondContact O-ND1 2.93Å; A39-H79 VanDerWaalsContact O-ND1 3.16Å |
| 40 | D | 95.8 | Very high | 97.3 | Very high | 110 Ų | 110 | 39 Ų | 39 | 59% | 0.588 | 22% | 0.22 | S | C | * | . | trans | -62.8 | 139.3 | 177.6 | -179.9 | 83.4 | 0 | 0 | 0 | 112.6 | A42 G43 M44 | D40-A42 VanDerWaalsContact C-N 3.31Å; D40-A42 PolarHBondContact O-N 3.21Å; D40-A42 WeakPolarHBondContact OD2-CA 3.43Å; D40-A42 WeakPolarHBondContact OD2-CB 3.29Å; D40-A42 PolarHBondContact OD2-N 3.44Å; D40-G43 WeakPolarHBondContact O-CA 3.45Å; D40-G43 PolarHBondContact O-N 2.9Å; D40-M44 WeakPolarHBondContact O-CG 3.3Å; D40-M44 PolarHBondContact O-N 3.24Å | ||
| 41 | A | 96.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.5 | -33.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G43 M44 A45 Q63 V77 | A41-G43 VanDerWaalsContact C-N 3.32Å; A41-M44 WeakPolarHBondContact O-CB 3.34Å; A41-M44 PolarHBondContact O-N 2.84Å; A41-A45 PolarHBondContact O-N 2.79Å; A41-Q63 HydrophobicContact CB-CG 3.99Å; A41-V77 HydrophobicContact CB-CG1 4.12Å |
| 42 | A | 96.1 | Very high | 97.1 | Very high | 49 Ų | 49 | 43.9 Ų | 43.9 | 41% | 0.405 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.7 | -37.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | D40 A45 H46 | D40-A42 VanDerWaalsContact C-N 3.31Å; D40-A42 PolarHBondContact O-N 3.21Å; D40-A42 WeakPolarHBondContact OD2-CA 3.43Å; D40-A42 WeakPolarHBondContact OD2-CB 3.29Å; D40-A42 PolarHBondContact OD2-N 3.44Å; A42-A45 PolarHBondContact O-N 2.86Å; A42-H46 VanDerWaalsContact O-CB 3.31Å; A42-H46 WeakPolarHBondContact O-CB 3.45Å; A42-H46 PolarHBondContact O-N 3.09Å |
| 43 | G | 96 | Very high | 96.9 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 33% | 0.33 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D40 A41 H46 L47 | D40-G43 WeakPolarHBondContact O-CA 3.45Å; D40-G43 PolarHBondContact O-N 2.9Å; A41-G43 VanDerWaalsContact C-N 3.32Å; G43-H46 PolarHBondContact O-N 3.07Å; G43-L47 WeakPolarHBondContact O-CG 3.33Å; G43-L47 PolarHBondContact O-N 2.95Å |
| 44 | M | 97.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.034 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.4 | -49.8 | 174.8 | -64.8 | 168.2 | 64.5 | 0 | 0 | 111.7 | F10 I35 E37 D40 A41 H46 L47 L48 V77 | F10-M44 HydrophobicContact CB-CE 4.12Å; F10-M44 HydrophobicContact CD1-CB 3.96Å; F10-M44 HydrophobicContact CD1-CE 3.72Å; F10-M44 HydrophobicContact CD1-CG 4.19Å; F10-M44 HydrophobicContact CE1-CB 4.31Å; F10-M44 HydrophobicContact CE1-CE 4.43Å; F10-M44 HydrophobicContact CG-CE 4.13Å; I35-M44 HydrophobicContact CB-CE 4.25Å; I35-M44 HydrophobicContact CG2-CE 3.46Å; I35-M44 VanDerWaalsContact CG2-CE 3.46Å; E37-M44 HydrophobicContact CB-CE 3.72Å; E37-M44 HydrophobicContact CB-CG 4.34Å; E37-M44 HydrophobicContact CB-SD 3.73Å; E37-M44 HydrophobicContact CG-CE 4.38Å; E37-M44 HydrophobicContact CG-CG 3.99Å; E37-M44 HydrophobicContact CG-SD 3.97Å; D40-M44 WeakPolarHBondContact O-CG 3.3Å; D40-M44 PolarHBondContact O-N 3.24Å; A41-M44 WeakPolarHBondContact O-CB 3.34Å; A41-M44 PolarHBondContact O-N 2.84Å; M44-H46 PolarHBondContact O-N 3.27Å; M44-L47 PolarHBondContact O-N 3.34Å; M44-L48 WeakPolarHBondContact O-CB 3.43Å; M44-L48 PolarHBondContact O-N 2.95Å; M44-V77 HydrophobicContact CE-CG1 3.98Å; M44-V77 HydrophobicContact SD-CG1 3.88Å |
| 45 | A | 97.7 | Very high | 96.7 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A41 A42 L48 K49 V61 Q63 L68 | A41-A45 PolarHBondContact O-N 2.79Å; A42-A45 PolarHBondContact O-N 2.86Å; A45-L48 PolarHBondContact O-N 3.05Å; A45-K49 PolarHBondContact O-N 2.87Å; A45-V61 HydrophobicContact CB-CG1 4.12Å; A45-Q63 HydrophobicContact CB-CB 3.8Å; A45-L68 HydrophobicContact CB-CD1 3.55Å |
| 46 | H | 97.8 | Very high | 96.6 | Very high | 110 Ų | 110 | 55.2 Ų | 55.2 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.7 | -49.6 | 178.7 | -171.2 | 92 | 0 | 0 | 0 | 111.7 | A42 G43 M44 L48 K49 Y50 | A42-H46 VanDerWaalsContact O-CB 3.31Å; A42-H46 WeakPolarHBondContact O-CB 3.45Å; A42-H46 PolarHBondContact O-N 3.09Å; G43-H46 PolarHBondContact O-N 3.07Å; M44-H46 PolarHBondContact O-N 3.27Å; H46-L48 VanDerWaalsContact C-N 3.34Å; H46-L48 PolarHBondContact O-N 3.18Å; H46-K49 PolarHBondContact O-N 3Å; H46-Y50 AromaticContact CE1-CD2 3.67Å; H46-Y50 AromaticContact ND1-CD2 3.82Å; H46-Y50 AromaticContact NE2-CD2 3.85Å; H46-Y50 WeakPolarHBondContact O-CD2 3.29Å; H46-Y50 PolarHBondContact O-N 3.49Å |
| 47 | L | 97 | Very high | 96.6 | Very high | 79 Ų | 79 | 55 Ų | 55 | 41% | 0.414 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -72.2 | -26.5 | -179.5 | -70.3 | 175.8 | 0 | 0 | 0 | 113.2 | G43 M44 | G43-L47 WeakPolarHBondContact O-CG 3.33Å; G43-L47 PolarHBondContact O-N 2.95Å; M44-L47 PolarHBondContact O-N 3.34Å |
| 48 | L | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 170 | -179 | 61.9 | 0 | 0 | 0 | 110.3 | F10 R15 V18 R19 M44 A45 H46 F57 V61 L68 V70 | F10-L48 HydrophobicContact CE1-CB 4.26Å; F10-L48 HydrophobicContact CZ-CB 4.45Å; F10-L48 HydrophobicContact CZ-CD1 4.08Å; F10-L48 HydrophobicContact CZ-CD2 4.15Å; F10-L48 HydrophobicContact CZ-CG 4.46Å; R15-L48 HydrophobicContact CB-CD1 4.3Å; V18-L48 HydrophobicContact CB-CD1 4.3Å; V18-L48 HydrophobicContact CG1-CD1 4.19Å; V18-L48 HydrophobicContact CG1-CD2 4.17Å; R19-L48 HydrophobicContact CG-CD1 3.78Å; R19-L48 PolarHBondContact NE-O 2.94Å; R19-L48 PolarHBondContact NH2-O 3.35Å; M44-L48 WeakPolarHBondContact O-CB 3.43Å; M44-L48 PolarHBondContact O-N 2.95Å; A45-L48 PolarHBondContact O-N 3.05Å; H46-L48 VanDerWaalsContact C-N 3.34Å; H46-L48 PolarHBondContact O-N 3.18Å; L48-F57 HydrophobicContact CD1-CD1 4.3Å; L48-F57 HydrophobicContact CD1-CE1 4.32Å; L48-F57 HydrophobicContact CD2-CE1 4.45Å; L48-F57 HydrophobicContact CG-CD1 4.07Å; L48-F57 HydrophobicContact CG-CE1 4.28Å; L48-F57 WeakPolarHBondContact O-CB 3.4Å; L48-V61 HydrophobicContact CD2-CG1 4.13Å; L48-V61 HydrophobicContact CD2-CG2 4.17Å; L48-V61 HydrophobicContact CG-CG2 4.29Å; L48-L68 HydrophobicContact CD2-CD2 3.97Å; L48-V70 HydrophobicContact CD2-CG2 3.83Å |
| 49 | K | 98 | Very high | 96.5 | Very high | 46 Ų | 46 | 56.9 Ų | 56.9 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -72.4 | -39 | -179.8 | -173.3 | 57.6 | 171.3 | 177.3 | 0 | 113.2 | R19 A45 H46 R56 F57 W59 V61 | R19-K49 PolarHBondContact NH2-O 3.38Å; A45-K49 PolarHBondContact O-N 2.87Å; H46-K49 PolarHBondContact O-N 3Å; K49-R56 WeakPolarHBondContact O-CA 3.39Å; K49-F57 HydrophobicContact CD-CB 4.39Å; K49-F57 PolarHBondContact NZ-O 3.39Å; K49-F57 PolarHBondContact O-N 3.14Å; K49-W59 PolarHBondContact NZ-O 3.19Å; K49-V61 HydrophobicContact CB-CB 4.19Å; K49-V61 HydrophobicContact CB-CG2 4.35Å; K49-V61 HydrophobicContact CD-CB 4.34Å; K49-V61 HydrophobicContact CD-CG2 4.17Å |
| 50 | Y | 97.7 | Very high | 96.6 | Very high | 106 Ų | 106 | 60.5 Ų | 60.5 | 42% | 0.416 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 109 | -172.7 | -54.4 | -72 | 0 | 0 | 0 | 110.6 | H46 R56 | H46-Y50 AromaticContact CE1-CD2 3.67Å; H46-Y50 AromaticContact ND1-CD2 3.82Å; H46-Y50 AromaticContact NE2-CD2 3.85Å; H46-Y50 WeakPolarHBondContact O-CD2 3.29Å; H46-Y50 PolarHBondContact O-N 3.49Å; Y50-R56 HydrophobicContact CD1-CG 4.05Å; Y50-R56 HydrophobicContact CE1-CG 4.38Å |
| 51 | D | 95.4 | Very high | 96.7 | Very high | 20 Ų | 20 | 56.4 Ų | 56.4 | 11% | 0.107 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.5 | 175.8 | -169.5 | -79.5 | 0 | 0 | 0 | 109.6 | S53 H54 G55 | D51-S53 VanDerWaalsContact C-N 3.34Å; D51-S53 VanDerWaalsContact OD1-CA 3.31Å; D51-S53 WeakPolarHBondContact OD1-CA 3.41Å; D51-S53 VanDerWaalsContact OD1-CB 3.26Å; D51-S53 WeakPolarHBondContact OD1-CB 3.37Å; D51-S53 PolarHBondContact OD1-N 2.97Å; D51-S53 PolarHBondContact OD1-OG 2.95Å; D51-H54 HydrophobicContact CB-CB 4.43Å; D51-H54 IonicContact OD1-CD2 3.67Å; D51-H54 PolarHBondContact OD1-N 3.37Å; D51-G55 PolarHBondContact N-O 2.67Å; D51-G55 VanDerWaalsContact N-O 3.08Å; D51-G55 CarbonylContact O-C 3.36Å; D51-G55 WeakPolarHBondContact O-CA 3.17Å; D51-G55 PolarHBondContact O-N 3.09Å; D51-G55 VanDerWaalsContact O-O 3.11Å |
| 52 | T | 94.1 | Very high | 96.7 | Very high | 130 Ų | 130 | 59.9 Ų | 59.9 | 80% | 0.798 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -31.6 | -179.9 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | I240 | T52-I240 HydrophobicContact CG2-CD1 4.24Š|
| 53 | S | 94.2 | Very high | 96.8 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -46.7 | -177.4 | -28.2 | 0 | 0 | 0 | 0 | 110.2 | R12 D51 I240 N289 | R12-S53 PolarHBondContact NH2-OG 3.28Å; D51-S53 VanDerWaalsContact C-N 3.34Å; D51-S53 VanDerWaalsContact OD1-CA 3.31Å; D51-S53 WeakPolarHBondContact OD1-CA 3.41Å; D51-S53 VanDerWaalsContact OD1-CB 3.26Å; D51-S53 WeakPolarHBondContact OD1-CB 3.37Å; D51-S53 PolarHBondContact OD1-N 2.97Å; D51-S53 PolarHBondContact OD1-OG 2.95Å; S53-I240 WeakPolarHBondContact OG-CG2 3.25Å; S53-N289 PolarHBondContact O-ND2 3.18Å |
| 54 | H | 95.6 | Very high | 96.8 | Very high | 15 Ų | 15 | 64.1 Ų | 64.1 | 7% | 0.069 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 10.1 | -174.1 | -61.3 | -64.4 | 0 | 0 | 0 | 113.6 | N16 R19 D51 N241 H290 D317 E319 | N16-H54 PolarHBondContact OD1-CD2 2.82Å; R19-H54 PolarHBondContact NH1-O 3.1Å; R19-H54 VanDerWaalsContact NH1-O 3.07Å; D51-H54 HydrophobicContact CB-CB 4.43Å; D51-H54 IonicContact OD1-CD2 3.67Å; D51-H54 PolarHBondContact OD1-N 3.37Å; H54-N241 PolarHBondContact CE1-ND2 3.48Å; H54-H290 AromaticContact CE1-ND1 3.98Å; H54-H290 AromaticContact CG-ND1 3.51Å; H54-H290 AromaticContact ND1-CE1 3.85Å; H54-H290 AromaticContact ND1-CG 3.9Å; H54-H290 AromaticContact ND1-ND1 2.92Å; H54-H290 PolarHBondContact ND1-ND1 3.49Å; H54-D317 IonicContact CE1-OD1 2.65Å; H54-D317 IonicContact CE1-OD2 3.91Å; H54-E319 IonicContact CD2-OE2 2.73Å; H54-E319 IonicContact NE2-OE2 3.35Å; H54-E319 PolarHBondContact NE2-OE2 3.12Å; H54-E319 VanDerWaalsContact NE2-OE2 3.11Å |
| 55 | G | 95.5 | Very high | 96.5 | Very high | 34 Ų | 34 | 74.3 Ų | 74.3 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 66 | -156.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R19 D51 | R19-G55 PolarHBondContact NH1-O 2.78Å; R19-G55 PolarHBondContact NH2-O 3.2Å; D51-G55 PolarHBondContact N-O 2.67Å; D51-G55 VanDerWaalsContact N-O 3.08Å; D51-G55 CarbonylContact O-C 3.36Å; D51-G55 WeakPolarHBondContact O-CA 3.17Å; D51-G55 PolarHBondContact O-N 3.09Å; D51-G55 VanDerWaalsContact O-O 3.11Å |
| 56 | R | 97.4 | Very high | 96.4 | Very high | 202 Ų | 202 | 77.4 Ų | 77.4 | 76% | 0.762 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 129.2 | -179.3 | -63.4 | -174 | 178.9 | 178.6 | -0.2 | 110.3 | K49 Y50 A58 | K49-R56 WeakPolarHBondContact O-CA 3.39Å; Y50-R56 HydrophobicContact CD1-CG 4.05Å; Y50-R56 HydrophobicContact CE1-CG 4.38Å; R56-A58 PolarHBondContact O-N 3.27Å |
| 57 | F | 97.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 75.8 Ų | 75.8 | 0% | 0.004 | 37% | 0.366 | C | S | . | . | trans | -67.1 | 130 | 174.2 | -168 | -156 | 0 | 0 | 0 | 110 | R19 Y22 E23 L48 K49 W59 V61 V70 | R19-F57 HydrophobicContact CB-CD2 4.21Å; R19-F57 HydrophobicContact CB-CE2 3.89Å; R19-F57 HydrophobicContact CB-CZ 4.27Å; R19-F57 HydrophobicContact CG-CD1 4.19Å; R19-F57 HydrophobicContact CG-CD2 3.74Å; R19-F57 HydrophobicContact CG-CE1 4.22Å; R19-F57 HydrophobicContact CG-CE2 3.79Å; R19-F57 HydrophobicContact CG-CG 3.96Å; R19-F57 HydrophobicContact CG-CZ 4.04Å; Y22-F57 HydrophobicContact CG-CZ 4.08Å; E23-F57 HydrophobicContact CG-CE2 3.99Å; E23-F57 VanDerWaalsContact OE1-CD2 3.27Å; E23-F57 WeakPolarHBondContact OE1-CD2 3.4Å; E23-F57 WeakPolarHBondContact OE1-CE2 3.36Å; L48-F57 HydrophobicContact CD1-CD1 4.3Å; L48-F57 HydrophobicContact CD1-CE1 4.32Å; L48-F57 HydrophobicContact CD2-CE1 4.45Å; L48-F57 HydrophobicContact CG-CD1 4.07Å; L48-F57 HydrophobicContact CG-CE1 4.28Å; L48-F57 WeakPolarHBondContact O-CB 3.4Å; K49-F57 HydrophobicContact CD-CB 4.39Å; K49-F57 PolarHBondContact NZ-O 3.39Å; K49-F57 PolarHBondContact O-N 3.14Å; F57-W59 VanDerWaalsContact C-N 3.29Å; F57-W59 HydrophobicContact CD1-CB 4.25Å; F57-W59 HydrophobicContact CE1-CB 3.94Å; F57-W59 HydrophobicContact CE2-CB 4.36Å; F57-W59 AromaticContact CE2-CD1 3.65Å; F57-W59 HydrophobicContact CE2-CG 4.33Å; F57-W59 HydrophobicContact CZ-CB 3.99Å; F57-W59 AromaticContact CZ-CD1 3.8Å; F57-W59 HydrophobicContact CZ-CG 4.12Å; F57-W59 PolarHBondContact O-N 2.55Å; F57-V61 HydrophobicContact CD1-CG2 3.71Å; F57-V61 HydrophobicContact CE1-CG2 4.22Å; F57-V70 HydrophobicContact CE1-CG1 3.6Å; F57-V70 HydrophobicContact CZ-CG1 4.11Å | ||
| 58 | A | 96.3 | Very high | 96.4 | Very high | 88 Ų | 88 | 72 Ų | 72 | 73% | 0.727 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -65.6 | -33.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R56 | R56-A58 PolarHBondContact O-N 3.27Š|
| 59 | W | 97.1 | Very high | 96.4 | Very high | 82 Ų | 82 | 73.1 Ų | 73.1 | 31% | 0.311 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -72.5 | 148 | -178.5 | -69.3 | 81.7 | 0 | 0 | 0 | 112.4 | Y22 K49 F57 V61 V70 | Y22-W59 AromaticContact CD1-CD2 3.75Å; Y22-W59 HydrophobicContact CD1-CD2 3.75Å; Y22-W59 AromaticContact CD1-CE2 3.97Å; Y22-W59 HydrophobicContact CD1-CE3 4Å; Y22-W59 HydrophobicContact CD1-CG 4.05Å; Y22-W59 HydrophobicContact CD1-CZ2 4.41Å; Y22-W59 HydrophobicContact CD1-CZ3 4.44Å; K49-W59 PolarHBondContact NZ-O 3.19Å; F57-W59 VanDerWaalsContact C-N 3.29Å; F57-W59 HydrophobicContact CD1-CB 4.25Å; F57-W59 HydrophobicContact CE1-CB 3.94Å; F57-W59 HydrophobicContact CE2-CB 4.36Å; F57-W59 AromaticContact CE2-CD1 3.65Å; F57-W59 HydrophobicContact CE2-CG 4.33Å; F57-W59 HydrophobicContact CZ-CB 3.99Å; F57-W59 AromaticContact CZ-CD1 3.8Å; F57-W59 HydrophobicContact CZ-CG 4.12Å; F57-W59 PolarHBondContact O-N 2.55Å; W59-V61 PolarHBondContact O-N 2.91Å; W59-V70 HydrophobicContact CB-CG1 3.82Å; W59-V70 HydrophobicContact CG-CG1 4.42Å |
| 60 | E | 97.1 | Very high | 96.4 | Very high | 126 Ų | 126 | 70.9 Ų | 70.9 | 59% | 0.589 | 34% | 0.341 | S | S | * | . | trans | -62.5 | 134.9 | 169.4 | -167.4 | -175.4 | 163.2 | 0 | 0 | 109.2 | V70 G71 | E60-V70 CarbonylContact O-C 3.56Å; E60-V70 VanDerWaalsContact O-CA 3.31Å; E60-V70 WeakPolarHBondContact O-CA 3.48Å; E60-G71 PolarHBondContact O-N 3.24Å | ||
| 61 | V | 98.2 | Very high | 96.2 | Very high | 25 Ų | 25 | 66.6 Ų | 66.6 | 15% | 0.152 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 121.6 | 175.2 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | A45 L48 K49 F57 W59 L68 F69 | A45-V61 HydrophobicContact CB-CG1 4.12Å; L48-V61 HydrophobicContact CD2-CG1 4.13Å; L48-V61 HydrophobicContact CD2-CG2 4.17Å; L48-V61 HydrophobicContact CG-CG2 4.29Å; K49-V61 HydrophobicContact CB-CB 4.19Å; K49-V61 HydrophobicContact CB-CG2 4.35Å; K49-V61 HydrophobicContact CD-CB 4.34Å; K49-V61 HydrophobicContact CD-CG2 4.17Å; F57-V61 HydrophobicContact CD1-CG2 3.71Å; F57-V61 HydrophobicContact CE1-CG2 4.22Å; W59-V61 PolarHBondContact O-N 2.91Å; V61-L68 HydrophobicContact CG1-CD1 3.84Å; V61-F69 WeakPolarHBondContact CA-O 3.4Å |
| 62 | R | 97 | Very high | 96.1 | Very high | 82 Ų | 82 | 73.1 Ų | 73.1 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 151.5 | 173.8 | 64.4 | -179.5 | 175.9 | 84.5 | 9 | 109.7 | E64 F69 | R62-E64 IonicContact CZ-OE1 3.82Å; R62-E64 IonicContact NH1-OE1 3.95Å; R62-E64 PolarHBondContact NH1-OE1 3.48Å; R62-E64 IonicContact NH1-OE2 3.06Å; R62-E64 PolarHBondContact NH1-OE2 3.26Å; R62-E64 VanDerWaalsContact NH1-OE2 3.1Å; R62-F69 HydrophobicContact CG-CB 3.61Å; R62-F69 HydrophobicContact CG-CD2 4.14Å; R62-F69 HydrophobicContact CG-CG 4.15Å; R62-F69 PolarHBondContact N-O 2.92Å; R62-F69 VanDerWaalsContact N-O 3.11Å; R62-F69 VanDerWaalsContact NH1-CE2 3.27Å; R62-F69 VanDerWaalsContact NH2-CG 3.28Å; R62-F69 PolarHBondContact O-N 3.34Å |
| 63 | Q | 96.9 | Very high | 96.2 | Very high | 65 Ų | 65 | 69.2 Ų | 69.2 | 30% | 0.304 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.7 | 176.9 | 173.9 | -84.7 | -34.3 | 0 | 0 | 109 | A41 A45 R65 Q67 L68 | A41-Q63 HydrophobicContact CB-CG 3.99Å; A45-Q63 HydrophobicContact CB-CB 3.8Å; Q63-R65 PolarHBondContact NE2-O 2.81Å; Q63-Q67 WeakPolarHBondContact CA-O 3.43Å; Q63-L68 HydrophobicContact CB-CD1 4.25Å |
| 64 | E | 95.7 | Very high | 96.4 | Very high | 104 Ų | 104 | 71 Ų | 71 | 49% | 0.486 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 114.4 | 177 | -65.3 | 176.8 | -172.6 | 0 | 0 | 108.9 | R62 D66 Q67 F69 | R62-E64 IonicContact CZ-OE1 3.82Å; R62-E64 IonicContact NH1-OE1 3.95Å; R62-E64 PolarHBondContact NH1-OE1 3.48Å; R62-E64 IonicContact NH1-OE2 3.06Å; R62-E64 PolarHBondContact NH1-OE2 3.26Å; R62-E64 VanDerWaalsContact NH1-OE2 3.1Å; E64-D66 PolarHBondContact O-N 3.13Å; E64-Q67 PolarHBondContact N-O 3.38Å; E64-Q67 PolarHBondContact O-N 3.23Å; E64-F69 HydrophobicContact CB-CE2 4.1Å; E64-F69 HydrophobicContact CG-CE2 4.42Å |
| 65 | R | 92.8 | Very high | 96.5 | Very high | 222 Ų | 222 | 70.3 Ų | 70.3 | 84% | 0.838 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | -121.4 | -176.3 | -55.5 | 178.1 | 179.8 | 169.8 | 0.3 | 110.6 | Q63 Q67 | Q63-R65 PolarHBondContact NE2-O 2.81Å; R65-Q67 VanDerWaalsContact C-N 3.31Å; R65-Q67 PolarHBondContact O-N 3.17Å |
| 66 | D | 94.3 | Very high | 96.6 | Very high | 76 Ų | 76 | 73.1 Ų | 73.1 | 41% | 0.406 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 30.5 | -177 | 11.8 | -59.1 | 0 | 0 | 0 | 110.9 | E64 R76 V77 | E64-D66 PolarHBondContact O-N 3.13Å; D66-R76 WeakPolarHBondContact O-CD 3.46Å; D66-R76 PolarHBondContact O-NH1 3.16Å; D66-R76 IonicContact OD2-CZ 3.15Å; D66-R76 IonicContact OD2-NH1 2.71Å; D66-R76 PolarHBondContact OD2-NH1 3.27Å; D66-R76 IonicContact OD2-NH2 2.8Å; D66-R76 PolarHBondContact OD2-NH2 2.95Å; D66-V77 PolarHBondContact O-N 2.97Å |
| 67 | Q | 96.9 | Very high | 96.7 | Very high | 75 Ų | 75 | 63.8 Ų | 63.8 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.5 | 170.3 | -68.2 | -166.9 | -25.7 | 0 | 0 | 112 | Q63 E64 R65 F69 I75 | Q63-Q67 WeakPolarHBondContact CA-O 3.43Å; E64-Q67 PolarHBondContact N-O 3.38Å; E64-Q67 PolarHBondContact O-N 3.23Å; R65-Q67 VanDerWaalsContact C-N 3.31Å; R65-Q67 PolarHBondContact O-N 3.17Å; Q67-F69 HydrophobicContact CB-CD2 4.38Å; Q67-F69 HydrophobicContact CB-CE2 3.76Å; Q67-F69 HydrophobicContact CB-CZ 4.21Å; Q67-I75 CarbonylContact C-O 3.53Å; Q67-I75 WeakPolarHBondContact CA-O 3.28Å |
| 68 | L | 98.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 125.6 | 168 | -179.9 | 68.8 | 0 | 0 | 0 | 107.7 | F10 I35 A45 L48 V61 Q63 I75 V77 | F10-L68 HydrophobicContact CE1-CD2 4.33Å; F10-L68 HydrophobicContact CZ-CD2 4.5Å; I35-L68 HydrophobicContact CD1-CD2 4.03Å; A45-L68 HydrophobicContact CB-CD1 3.55Å; L48-L68 HydrophobicContact CD2-CD2 3.97Å; V61-L68 HydrophobicContact CG1-CD1 3.84Å; Q63-L68 HydrophobicContact CB-CD1 4.25Å; L68-I75 HydrophobicContact CB-CB 4.5Å; L68-I75 PolarHBondContact N-O 2.8Å; L68-I75 WeakPolarHBondContact O-CA 3.18Å; L68-I75 WeakPolarHBondContact O-CB 3.28Å; L68-I75 PolarHBondContact O-N 2.94Å; L68-V77 HydrophobicContact CB-CG2 3.7Å |
| 69 | F | 98.2 | Very high | 96.7 | Very high | 22 Ų | 22 | 64.6 Ų | 64.6 | 10% | 0.096 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 136.1 | 176.4 | -64.7 | -95.6 | 0 | 0 | 0 | 110.1 | V61 R62 E64 Q67 D73 A74 | V61-F69 WeakPolarHBondContact CA-O 3.4Å; R62-F69 HydrophobicContact CG-CB 3.61Å; R62-F69 HydrophobicContact CG-CD2 4.14Å; R62-F69 HydrophobicContact CG-CG 4.15Å; R62-F69 PolarHBondContact N-O 2.92Å; R62-F69 VanDerWaalsContact N-O 3.11Å; R62-F69 VanDerWaalsContact NH1-CE2 3.27Å; R62-F69 VanDerWaalsContact NH2-CG 3.28Å; R62-F69 PolarHBondContact O-N 3.34Å; E64-F69 HydrophobicContact CB-CE2 4.1Å; E64-F69 HydrophobicContact CG-CE2 4.42Å; Q67-F69 HydrophobicContact CB-CD2 4.38Å; Q67-F69 HydrophobicContact CB-CE2 3.76Å; Q67-F69 HydrophobicContact CB-CZ 4.21Å; F69-D73 VanDerWaalsContact CA-O 3.27Å; F69-D73 WeakPolarHBondContact CA-O 3.3Å; F69-A74 HydrophobicContact CD1-CB 3.8Å; F69-A74 HydrophobicContact CE1-CB 3.49Å; F69-A74 VanDerWaalsContact CE1-CB 3.49Å; F69-A74 HydrophobicContact CZ-CB 4.19Å |
| 70 | V | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 105.7 | 170.8 | -174.9 | 0 | 0 | 0 | 0 | 107.5 | Y22 L48 F57 W59 E60 D72 D73 I75 | Y22-V70 HydrophobicContact CD1-CB 4.38Å; Y22-V70 HydrophobicContact CD1-CG1 3.53Å; Y22-V70 HydrophobicContact CD2-CG1 4.34Å; Y22-V70 HydrophobicContact CE1-CB 3.64Å; Y22-V70 HydrophobicContact CE1-CG1 3.29Å; Y22-V70 WeakPolarHBondContact CE1-O 3.48Å; Y22-V70 HydrophobicContact CE2-CB 4.32Å; Y22-V70 HydrophobicContact CE2-CG1 4.12Å; Y22-V70 HydrophobicContact CG-CG1 4.07Å; L48-V70 HydrophobicContact CD2-CG2 3.83Å; F57-V70 HydrophobicContact CE1-CG1 3.6Å; F57-V70 HydrophobicContact CZ-CG1 4.11Å; W59-V70 HydrophobicContact CB-CG1 3.82Å; W59-V70 HydrophobicContact CG-CG1 4.42Å; E60-V70 CarbonylContact O-C 3.56Å; E60-V70 VanDerWaalsContact O-CA 3.31Å; E60-V70 WeakPolarHBondContact O-CA 3.48Å; V70-D72 PolarHBondContact O-N 3.35Å; V70-D73 PolarHBondContact N-O 2.9Å; V70-D73 PolarHBondContact O-N 2.83Å; V70-I75 HydrophobicContact CG2-CD1 4.22Å |
| 71 | G | 95 | Very high | 96.7 | Very high | 16 Ų | 16 | 68 Ų | 68 | 17% | 0.165 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | -123 | -163 | 0 | 0 | 0 | 0 | 0 | 111.1 | E60 | E60-G71 PolarHBondContact O-N 3.24Š|
| 72 | D | 93.2 | Very high | 96.6 | Very high | 157 Ų | 157 | 68.9 Ų | 68.9 | 84% | 0.84 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -12 | -178.8 | -57.7 | -39.3 | 0 | 0 | 0 | 113.5 | V70 | V70-D72 PolarHBondContact O-N 3.35Š|
| 73 | D | 96 | Very high | 96.6 | Very high | 48 Ų | 48 | 65.3 Ų | 65.3 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 129 | -173.9 | -66.6 | -32 | 0 | 0 | 0 | 110.4 | Y22 R27 F69 V70 | Y22-D73 HydrophobicContact CE1-CB 4.49Å; Y22-D73 WeakPolarHBondContact OH-CB 3.49Å; Y22-D73 PolarHBondContact OH-OD2 2.92Å; R27-D73 WeakPolarHBondContact CD-OD2 3.46Å; R27-D73 IonicContact CZ-OD2 2.68Å; R27-D73 IonicContact NH1-OD1 3.67Å; R27-D73 IonicContact NH1-OD2 3.9Å; R27-D73 PolarHBondContact NH1-OD2 2.56Å; F69-D73 VanDerWaalsContact CA-O 3.27Å; F69-D73 WeakPolarHBondContact CA-O 3.3Å; V70-D73 PolarHBondContact N-O 2.9Å; V70-D73 PolarHBondContact O-N 2.83Å |
| 74 | A | 97 | Very high | 96.5 | Very high | 50 Ų | 50 | 68.9 Ų | 68.9 | 41% | 0.413 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 119.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | F69 | F69-A74 HydrophobicContact CD1-CB 3.8Å; F69-A74 HydrophobicContact CE1-CB 3.49Å; F69-A74 VanDerWaalsContact CE1-CB 3.49Å; F69-A74 HydrophobicContact CZ-CB 4.19Å |
| 75 | I | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.1 | -177 | -52.4 | 174.7 | 0 | 0 | 0 | 109.2 | V32 I35 Q67 L68 V70 | V32-I75 HydrophobicContact CB-CD1 4.17Å; V32-I75 HydrophobicContact CG1-CD1 4.21Å; V32-I75 HydrophobicContact CG1-CG2 3.86Å; I35-I75 HydrophobicContact CB-CG2 4.49Å; I35-I75 HydrophobicContact CD1-CD1 4.33Å; I35-I75 HydrophobicContact CD1-CG2 3.8Å; I35-I75 HydrophobicContact CG1-CG2 3.83Å; Q67-I75 CarbonylContact C-O 3.53Å; Q67-I75 WeakPolarHBondContact CA-O 3.28Å; L68-I75 HydrophobicContact CB-CB 4.5Å; L68-I75 PolarHBondContact N-O 2.8Å; L68-I75 WeakPolarHBondContact O-CA 3.18Å; L68-I75 WeakPolarHBondContact O-CB 3.28Å; L68-I75 PolarHBondContact O-N 2.94Å; V70-I75 HydrophobicContact CG2-CD1 4.22Å |
| 76 | R | 98.2 | Very high | 96.7 | Very high | 94 Ų | 94 | 56.8 Ų | 56.8 | 36% | 0.355 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 131.9 | 176.7 | -171.9 | 67.5 | 177.1 | 159 | 2.1 | 110.6 | V33 A34 I35 D66 L78 | V33-R76 WeakPolarHBondContact O-CB 3.48Å; V33-R76 PolarHBondContact O-N 2.94Å; V33-R76 VanDerWaalsContact O-N 3.11Å; A34-R76 CarbonylContact C-O 3.52Å; A34-R76 WeakPolarHBondContact CA-O 3.48Å; A34-R76 HydrophobicContact CB-CB 4.1Å; I35-R76 PolarHBondContact N-O 3.47Å; D66-R76 WeakPolarHBondContact O-CD 3.46Å; D66-R76 PolarHBondContact O-NH1 3.16Å; D66-R76 IonicContact OD2-CZ 3.15Å; D66-R76 IonicContact OD2-NH1 2.71Å; D66-R76 PolarHBondContact OD2-NH1 3.27Å; D66-R76 IonicContact OD2-NH2 2.8Å; D66-R76 PolarHBondContact OD2-NH2 2.95Å; R76-L78 HydrophobicContact CG-CD2 4.1Å; R76-L78 HydrophobicContact CG-CG 4.45Å |
| 77 | V | 98.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.03 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 134.1 | 173.3 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | I35 A41 M44 D66 L68 | I35-V77 WeakPolarHBondContact O-CA 3.33Å; A41-V77 HydrophobicContact CB-CG1 4.12Å; M44-V77 HydrophobicContact CE-CG1 3.98Å; M44-V77 HydrophobicContact SD-CG1 3.88Å; D66-V77 PolarHBondContact O-N 2.97Å; L68-V77 HydrophobicContact CB-CG2 3.7Å |
| 78 | L | 98.1 | Very high | 97 | Very high | 21 Ų | 21 | 51.1 Ų | 51.1 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 152.9 | 178.7 | -56.1 | 172.4 | 0 | 0 | 0 | 109.9 | A34 I35 N36 E37 R76 P87 W88 L91 | A34-L78 HydrophobicContact CB-CD1 4.34Å; I35-L78 PolarHBondContact O-N 2.87Å; N36-L78 WeakPolarHBondContact CA-O 3.43Å; N36-L78 HydrophobicContact CB-CB 4.1Å; N36-L78 VanDerWaalsContact OD1-C 3.26Å; N36-L78 WeakPolarHBondContact OD1-CB 3.42Å; N36-L78 PolarHBondContact OD1-O 3.44Å; E37-L78 PolarHBondContact N-O 2.94Å; E37-L78 VanDerWaalsContact O-O 3.1Å; R76-L78 HydrophobicContact CG-CD2 4.1Å; R76-L78 HydrophobicContact CG-CG 4.45Å; L78-P87 HydrophobicContact CD1-CG 3.91Å; L78-P87 HydrophobicContact CD2-CG 4.28Å; L78-W88 HydrophobicContact CD1-CH2 4.27Å; L78-W88 HydrophobicContact CD1-CZ3 3.8Å; L78-L91 HydrophobicContact CD1-CD1 4.22Å |
| 79 | H | 97.5 | Very high | 96.9 | Very high | 86 Ų | 86 | 59.9 Ų | 59.9 | 40% | 0.398 | 30% | 0.295 | S | S | . | . | trans | -130.5 | 37.9 | -179.4 | -60.7 | -67.4 | 0 | 0 | 0 | 112.1 | N36 E37 A39 | N36-H79 PolarHBondContact OD1-N 2.99Å; E37-H79 WeakPolarHBondContact O-CA 3.21Å; E37-H79 PolarHBondContact O-ND1 2.73Å; A39-H79 PolarHBondContact O-CE1 2.89Å; A39-H79 PolarHBondContact O-ND1 2.93Å; A39-H79 VanDerWaalsContact O-ND1 3.16Å | ||
| 80 | E | 97.5 | Very high | 96.9 | Very high | 82 Ų | 82 | 66.8 Ų | 66.8 | 38% | 0.383 | 33% | 0.327 | S | S | . | . | trans | -83 | 128.8 | -175.7 | -65.1 | -59.1 | 156 | 0 | 0 | 111.7 | N36 L86 | N36-E80 PolarHBondContact ND2-O 2.91Å; N36-E80 PolarHBondContact OD1-N 3.46Å; E80-L86 HydrophobicContact CB-CD2 3.75Å; E80-L86 HydrophobicContact CB-CG 4.39Å; E80-L86 HydrophobicContact CG-CD2 4.25Å | ||
| 81 | R | 96 | Very high | 96.8 | Very high | 197 Ų | 197 | 68.1 Ų | 68.1 | 74% | 0.743 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -82.1 | -29.2 | 177.4 | -75.8 | -179.7 | -179.6 | -101.9 | -0.9 | 113.8 | L38 | L38-R81 HydrophobicContact CD1-CG 4.03Å; L38-R81 HydrophobicContact CD2-CB 4.35Å; L38-R81 HydrophobicContact CD2-CG 3.53Å; L38-R81 HydrophobicContact CG-CG 4.45Å |
| 82 | S | 95.9 | Very high | 96.8 | Very high | 43 Ų | 43 | 69 Ų | 69 | 30% | 0.301 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -106 | 133.5 | -173.8 | 151.6 | 0 | 0 | 0 | 0 | 109.8 | Q84 S85 | S82-Q84 PolarHBondContact O-N 2.97Å; S82-Q84 PolarHBondContact OG-N 3.35Å; S82-Q84 PolarHBondContact OG-OE1 3.32Å; S82-S85 PolarHBondContact O-N 3.46Å; S82-S85 VanDerWaalsContact O-N 3.13Å |
| 83 | L | 96.7 | Very high | 97 | Very high | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -59.1 | -33.5 | 177.7 | -64.3 | -173.3 | 0 | 0 | 0 | 112.6 | S85 L86 Y103 H108 A111 H112 | L83-S85 PolarHBondContact O-N 2.96Å; L83-L86 HydrophobicContact CB-CD1 4.48Å; L83-L86 HydrophobicContact CD2-CD1 3.79Å; L83-L86 WeakPolarHBondContact O-CB 3.49Å; L83-L86 PolarHBondContact O-N 2.93Å; L83-Y103 HydrophobicContact CD1-CD1 3.9Å; L83-Y103 HydrophobicContact CD1-CD2 4.25Å; L83-Y103 HydrophobicContact CD1-CE1 3.9Å; L83-Y103 HydrophobicContact CD1-CE2 4.27Å; L83-Y103 HydrophobicContact CD1-CG 4.07Å; L83-Y103 HydrophobicContact CD2-CD2 3.99Å; L83-Y103 HydrophobicContact CD2-CE2 3.55Å; L83-Y103 HydrophobicContact CG-CD2 4.46Å; L83-Y103 HydrophobicContact CG-CE1 4.07Å; L83-Y103 HydrophobicContact CG-CE2 4.02Å; L83-H108 HydrophobicContact CD1-CB 4.15Å; L83-A111 HydrophobicContact CB-CB 3.9Å; L83-A111 HydrophobicContact CD1-CB 3.94Å; L83-H112 WeakPolarHBondContact CD2-CE1 3.17Å |
| 84 | Q | 94.2 | Very high | 97.1 | Very high | 140 Ų | 140 | 60.5 Ų | 60.5 | 65% | 0.654 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -70.1 | -20.2 | -178.7 | -61.1 | 81.7 | 6.7 | 0 | 0 | 113.3 | S82 | S82-Q84 PolarHBondContact O-N 2.97Å; S82-Q84 PolarHBondContact OG-N 3.35Å; S82-Q84 PolarHBondContact OG-OE1 3.32Å |
| 85 | S | 96.4 | Very high | 97.1 | Very high | 66 Ų | 66 | 58.1 Ų | 58.1 | 46% | 0.462 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -90 | -4.4 | -178.9 | -53.2 | 0 | 0 | 0 | 0 | 112.5 | S82 L83 | S82-S85 PolarHBondContact O-N 3.46Å; S82-S85 VanDerWaalsContact O-N 3.13Å; L83-S85 PolarHBondContact O-N 2.96Å |
| 86 | L | 98 | Very high | 97.2 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | trans | -73.9 | 130.9 | -176.8 | -67.6 | 164.4 | 0 | 0 | 0 | 111.3 | N36 E80 L83 W88 A115 | N36-L86 HydrophobicContact CB-CD2 3.95Å; E80-L86 HydrophobicContact CB-CD2 3.75Å; E80-L86 HydrophobicContact CB-CG 4.39Å; E80-L86 HydrophobicContact CG-CD2 4.25Å; L83-L86 HydrophobicContact CB-CD1 4.48Å; L83-L86 HydrophobicContact CD2-CD1 3.79Å; L83-L86 WeakPolarHBondContact O-CB 3.49Å; L83-L86 PolarHBondContact O-N 2.93Å; L86-W88 HydrophobicContact CB-CD2 3.89Å; L86-W88 HydrophobicContact CB-CE3 4.45Å; L86-W88 HydrophobicContact CB-CG 4.25Å; L86-W88 HydrophobicContact CB-CZ2 4Å; L86-W88 HydrophobicContact CD1-CZ2 3.59Å; L86-W88 HydrophobicContact CD2-CH2 3.9Å; L86-W88 HydrophobicContact CD2-CZ2 3.77Å; L86-W88 HydrophobicContact CG-CZ2 3.99Å; L86-W88 PolarHBondContact O-N 3.31Å; L86-A115 HydrophobicContact CB-CB 4.31Å; L86-A115 WeakPolarHBondContact O-CB 3.33Å | ||
| 87 | P | 97.6 | Very high | 97.2 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 21% | 0.214 | 26% | 0.262 | C | S | . | . | trans | -86.8 | 44.4 | -174.9 | 35.2 | -36 | 0 | 0 | 0 | 112.9 | L78 R89 E90 L91 | L78-P87 HydrophobicContact CD1-CG 3.91Å; L78-P87 HydrophobicContact CD2-CG 4.28Å; P87-R89 VanDerWaalsContact C-N 3.27Å; P87-R89 PolarHBondContact O-N 3.08Å; P87-E90 HydrophobicContact CB-CB 4.25Å; P87-E90 PolarHBondContact O-N 3.44Å; P87-E90 VanDerWaalsContact O-N 3.17Å; P87-L91 HydrophobicContact CG-CD1 3.96Å; P87-L91 WeakPolarHBondContact O-CG 3.5Å; P87-L91 PolarHBondContact O-N 2.96Å; P87-L91 VanDerWaalsContact O-N 3.12Å | ||
| 88 | W | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -34.7 | -175.4 | -59.4 | 154.5 | 0 | 0 | 0 | 113.8 | A6 N8 A34 N36 L78 L86 L91 G92 V93 V96 H112 A115 A117 | A6-W88 HydrophobicContact CB-CE3 3.94Å; A6-W88 HydrophobicContact CB-CH2 3.76Å; A6-W88 HydrophobicContact CB-CZ2 4.33Å; A6-W88 HydrophobicContact CB-CZ3 3.55Å; N8-W88 HydrophobicContact CB-CZ2 4.48Å; A34-W88 HydrophobicContact CB-CZ3 4.11Å; N36-W88 HydrophobicContact CB-CH2 4.16Å; L78-W88 HydrophobicContact CD1-CH2 4.27Å; L78-W88 HydrophobicContact CD1-CZ3 3.8Å; L86-W88 HydrophobicContact CB-CD2 3.89Å; L86-W88 HydrophobicContact CB-CE3 4.45Å; L86-W88 HydrophobicContact CB-CG 4.25Å; L86-W88 HydrophobicContact CB-CZ2 4Å; L86-W88 HydrophobicContact CD1-CZ2 3.59Å; L86-W88 HydrophobicContact CD2-CH2 3.9Å; L86-W88 HydrophobicContact CD2-CZ2 3.77Å; L86-W88 HydrophobicContact CG-CZ2 3.99Å; L86-W88 PolarHBondContact O-N 3.31Å; W88-L91 HydrophobicContact CE3-CD1 4.01Å; W88-L91 HydrophobicContact CZ3-CD1 4.11Å; W88-L91 PolarHBondContact O-N 2.93Å; W88-G92 PolarHBondContact O-N 3.35Å; W88-G92 VanDerWaalsContact O-N 3.14Å; W88-V93 HydrophobicContact CB-CB 4.23Å; W88-V93 HydrophobicContact CB-CG2 4.16Å; W88-V93 HydrophobicContact CD2-CG2 4.35Å; W88-V93 HydrophobicContact CE3-CG2 3.93Å; W88-V93 PolarHBondContact O-N 3.46Å; W88-V93 VanDerWaalsContact O-N 3.17Å; W88-V96 HydrophobicContact CD2-CG2 4.1Å; W88-V96 HydrophobicContact CG-CG2 4.17Å; W88-V96 HydrophobicContact CZ2-CG2 4.08Å; W88-H112 AromaticContact CD1-ND1 3.94Å; W88-H112 AromaticContact NE1-CE1 3.89Å; W88-H112 AromaticContact NE1-ND1 3.1Å; W88-H112 PolarHBondContact NE1-ND1 3.27Å; W88-H112 VanDerWaalsContact NE1-ND1 3.1Å; W88-A115 HydrophobicContact CB-CB 4.43Å; W88-A115 HydrophobicContact CG-CB 4.24Å; W88-A115 PolarHBondContact N-O 3.26Å; W88-A117 HydrophobicContact CB-CB 4.18Å; W88-A117 HydrophobicContact CG-CB 4.27Å |
| 89 | R | 97.3 | Very high | 97.2 | Very high | 185 Ų | 185 | 53 Ų | 53 | 70% | 0.698 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62 | -47.3 | 175.2 | -168.2 | 175.3 | -62.7 | 148.6 | 8 | 112 | P87 L91 G92 A114 A115 | P87-R89 VanDerWaalsContact C-N 3.27Å; P87-R89 PolarHBondContact O-N 3.08Å; R89-L91 VanDerWaalsContact C-N 3.3Å; R89-L91 PolarHBondContact O-N 2.82Å; R89-G92 PolarHBondContact O-N 3.14Å; R89-A114 PolarHBondContact NH2-O 2.74Å; R89-A114 VanDerWaalsContact NH2-O 3.1Å; R89-A115 PolarHBondContact N-O 3.14Å |
| 90 | E | 96.9 | Very high | 97.1 | Very high | 166 Ų | 166 | 51.1 Ų | 51.1 | 78% | 0.776 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62.6 | -40.6 | -179.8 | -176.3 | -168.9 | 146.8 | 0 | 0 | 111 | P87 G92 | P87-E90 HydrophobicContact CB-CB 4.25Å; P87-E90 PolarHBondContact O-N 3.44Å; P87-E90 VanDerWaalsContact O-N 3.17Å; E90-G92 VanDerWaalsContact C-N 3.25Å; E90-G92 PolarHBondContact O-N 3.45Å |
| 91 | L | 96.7 | Very high | 96.9 | Very high | 28 Ų | 28 | 49.7 Ų | 49.7 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -79.8 | -6.2 | -177.7 | -64.5 | 169.3 | 0 | 0 | 0 | 113.5 | R4 V33 A34 L78 P87 W88 R89 V93 | R4-L91 PolarHBondContact NE-O 2.92Å; R4-L91 PolarHBondContact NH2-O 2.72Å; V33-L91 HydrophobicContact CG2-CB 4.43Å; A34-L91 HydrophobicContact CB-CD1 3.61Å; L78-L91 HydrophobicContact CD1-CD1 4.22Å; P87-L91 HydrophobicContact CG-CD1 3.96Å; P87-L91 WeakPolarHBondContact O-CG 3.5Å; P87-L91 PolarHBondContact O-N 2.96Å; P87-L91 VanDerWaalsContact O-N 3.12Å; W88-L91 HydrophobicContact CE3-CD1 4.01Å; W88-L91 HydrophobicContact CZ3-CD1 4.11Å; W88-L91 PolarHBondContact O-N 2.93Å; R89-L91 VanDerWaalsContact C-N 3.3Å; R89-L91 PolarHBondContact O-N 2.82Å; L91-V93 HydrophobicContact CB-CG2 3.93Å |
| 92 | G | 95.5 | Very high | 96.8 | Very high | 34 Ų | 34 | 45.5 Ų | 45.5 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 49.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R4 W88 R89 E90 | R4-G92 WeakPolarHBondContact CB-O 3.38Å; R4-G92 WeakPolarHBondContact CD-O 3.13Å; R4-G92 PolarHBondContact NE-O 2.7Å; R4-G92 VanDerWaalsContact NE-O 3.15Å; W88-G92 PolarHBondContact O-N 3.35Å; W88-G92 VanDerWaalsContact O-N 3.14Å; R89-G92 PolarHBondContact O-N 3.14Å; E90-G92 VanDerWaalsContact C-N 3.25Å; E90-G92 PolarHBondContact O-N 3.45Å |
| 93 | V | 97.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | trans | -78 | 121.4 | -176.1 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | A6 V33 W88 L91 V95 V96 A117 K118 | A6-V93 HydrophobicContact CB-CB 4.48Å; A6-V93 HydrophobicContact CB-CG1 3.85Å; A6-V93 HydrophobicContact CB-CG2 3.73Å; V33-V93 HydrophobicContact CG2-CG2 4.01Å; W88-V93 HydrophobicContact CB-CB 4.23Å; W88-V93 HydrophobicContact CB-CG2 4.16Å; W88-V93 HydrophobicContact CD2-CG2 4.35Å; W88-V93 HydrophobicContact CE3-CG2 3.93Å; W88-V93 PolarHBondContact O-N 3.46Å; W88-V93 VanDerWaalsContact O-N 3.17Å; L91-V93 HydrophobicContact CB-CG2 3.93Å; V93-V95 WeakPolarHBondContact CG1-O 3.11Å; V93-V96 HydrophobicContact CG1-CG2 3.84Å; V93-A117 HydrophobicContact CG1-CB 4.38Å; V93-K118 PolarHBondContact O-N 2.9Å; V93-K118 VanDerWaalsContact O-N 3.15Å | ||
| 94 | D | 97.1 | Very high | 96.8 | Very high | 25 Ų | 25 | 46 Ų | 46 | 13% | 0.134 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -79.8 | -47.2 | 174.1 | -62.1 | -52.2 | 0 | 0 | 0 | 111.1 | V3 R4 K118 K119 | V3-D94 HydrophobicContact CG1-CB 3.98Å; R4-D94 WeakPolarHBondContact CB-OD2 3.45Å; R4-D94 PolarHBondContact N-OD2 3.47Å; R4-D94 WeakPolarHBondContact O-CB 3.4Å; R4-D94 PolarHBondContact O-N 2.81Å; D94-K118 WeakPolarHBondContact O-CB 3.44Å; D94-K118 WeakPolarHBondContact OD1-CD 3.28Å; D94-K118 WeakPolarHBondContact OD1-CE 3.48Å; D94-K118 IonicContact OD1-NZ 2.76Å; D94-K118 PolarHBondContact OD1-NZ 3.23Å; D94-K119 PolarHBondContact O-N 2.85Å |
| 95 | V | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 126.6 | 179.3 | -170 | 0 | 0 | 0 | 0 | 110.2 | V3 R4 V5 A6 V93 L97 K119 L121 T330 | V3-V95 HydrophobicContact CG1-CG2 4.06Å; R4-V95 PolarHBondContact O-N 3.4Å; V5-V95 VanDerWaalsContact CA-O 3.28Å; V5-V95 WeakPolarHBondContact CA-O 2.89Å; V5-V95 HydrophobicContact CG2-CB 4.44Å; A6-V95 PolarHBondContact N-O 3.02Å; A6-V95 VanDerWaalsContact N-O 3.12Å; V93-V95 WeakPolarHBondContact CG1-O 3.11Å; V95-L97 HydrophobicContact CG1-CD2 4.41Å; V95-K119 WeakPolarHBondContact CA-O 3.4Å; V95-K119 HydrophobicContact CG2-CB 4.34Å; V95-L121 HydrophobicContact CG1-CB 4.33Å; V95-T330 HydrophobicContact CB-CG2 4.13Å; V95-T330 HydrophobicContact CG1-CG2 4.23Å; V95-T330 HydrophobicContact CG2-CG2 4.2Å |
| 96 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 127.7 | 164.3 | 159.8 | 0 | 0 | 0 | 0 | 109 | A6 N8 W88 V93 D98 A117 K119 V120 L121 | A6-V96 HydrophobicContact CB-CG2 4.33Å; A6-V96 CarbonylContact O-C 3.34Å; A6-V96 WeakPolarHBondContact O-CA 3.35Å; N8-V96 HydrophobicContact CB-CG1 4.4Å; W88-V96 HydrophobicContact CD2-CG2 4.1Å; W88-V96 HydrophobicContact CG-CG2 4.17Å; W88-V96 HydrophobicContact CZ2-CG2 4.08Å; V93-V96 HydrophobicContact CG1-CG2 3.84Å; V96-D98 HydrophobicContact CG1-CB 4.47Å; V96-A117 HydrophobicContact CB-CB 4.35Å; V96-A117 HydrophobicContact CG2-CB 3.66Å; V96-K119 PolarHBondContact N-O 3.09Å; V96-V120 HydrophobicContact CG1-CG1 4.44Å; V96-V120 CarbonylContact O-C 3.54Å; V96-V120 WeakPolarHBondContact O-CA 3.25Å; V96-L121 PolarHBondContact O-N 2.94Å |
| 97 | L | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 105.8 | 164.2 | -59.8 | 179.7 | 0 | 0 | 0 | 108.3 | V5 A6 I7 N8 V17 V95 C99 L121 M326 T330 | V5-L97 HydrophobicContact CG1-CD1 3.65Å; V5-L97 HydrophobicContact CG1-CG 3.67Å; A6-L97 PolarHBondContact O-N 2.67Å; I7-L97 CarbonylContact C-O 3.55Å; I7-L97 WeakPolarHBondContact CA-O 3.42Å; I7-L97 HydrophobicContact CG1-CB 4.35Å; I7-L97 HydrophobicContact CG1-CD1 4.41Å; N8-L97 PolarHBondContact N-O 3.02Å; V17-L97 HydrophobicContact CG1-CD1 3.61Å; V95-L97 HydrophobicContact CG1-CD2 4.41Å; L97-C99 PolarHBondContact O-N 2.8Å; L97-L121 WeakPolarHBondContact CA-O 3.23Å; L97-L121 HydrophobicContact CD2-CB 3.77Å; L97-L121 HydrophobicContact CD2-CD2 3.71Å; L97-L121 HydrophobicContact CD2-CG 4.08Å; L97-M326 HydrophobicContact CB-CE 4.16Å; L97-M326 HydrophobicContact CD2-CE 3.67Å; L97-M326 HydrophobicContact CG-CE 4.33Å; L97-T330 WeakPolarHBondContact CD2-OG1 3.37Å |
| 98 | D | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 107.4 | 173.3 | -164.8 | -55.8 | 0 | 0 | 0 | 109.5 | N8 V96 T100 Y103 H112 L121 F122 S123 | N8-D98 PolarHBondContact ND2-OD2 3.48Å; V96-D98 HydrophobicContact CG1-CB 4.47Å; D98-T100 WeakPolarHBondContact OD1-CB 3.36Å; D98-T100 WeakPolarHBondContact OD1-CG2 3.41Å; D98-T100 PolarHBondContact OD1-N 3.33Å; D98-T100 PolarHBondContact OD1-OG1 2.99Å; D98-Y103 WeakPolarHBondContact OD2-CD2 3.29Å; D98-H112 IonicContact OD2-CE1 3.82Å; D98-H112 IonicContact OD2-NE2 3.03Å; D98-H112 PolarHBondContact OD2-NE2 2.83Å; D98-L121 PolarHBondContact N-O 3.04Å; D98-F122 HydrophobicContact CB-CD1 3.67Å; D98-F122 HydrophobicContact CB-CE1 3.93Å; D98-S123 WeakPolarHBondContact O-CB 3.32Å; D98-S123 PolarHBondContact O-N 3.02Å; D98-S123 PolarHBondContact O-OG 2.77Å |
| 99 | C | 97.7 | Very high | 97 | Very high | 12 Ų | 12 | 48.9 Ų | 48.9 | 8% | 0.081 | 26% | 0.257 | C | S | . | . | trans | -110.5 | 19.3 | -179.1 | -60.3 | 0 | 0 | 0 | 0 | 112.5 | I7 N8 G9 I13 L97 S123 | I7-C99 HydrophobicContact CG2-CB 4.45Å; N8-C99 CarbonylContact O-C 3.54Å; N8-C99 WeakPolarHBondContact O-CA 3.49Å; N8-C99 PolarHBondContact O-N 2.75Å; G9-C99 WeakPolarHBondContact O-CB 3.37Å; I13-C99 HydrophobicContact CG2-CB 4.46Å; L97-C99 PolarHBondContact O-N 2.8Å; C99-S123 WeakPolarHBondContact CA-OG 3.46Å | ||
| 100 | T | 95.9 | Very high | 97.1 | Very high | 46 Ų | 46 | 43.8 Ų | 43.8 | 28% | 0.282 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -75.2 | -31.9 | -178.7 | 65 | 0 | 0 | 0 | 0 | 112.9 | N8 D98 V102 Y103 | N8-T100 WeakPolarHBondContact O-CG2 3.27Å; N8-T100 PolarHBondContact O-N 3.05Å; D98-T100 WeakPolarHBondContact OD1-CB 3.36Å; D98-T100 WeakPolarHBondContact OD1-CG2 3.41Å; D98-T100 PolarHBondContact OD1-N 3.33Å; D98-T100 PolarHBondContact OD1-OG1 2.99Å; T100-V102 PolarHBondContact O-N 2.96Å; T100-V102 PolarHBondContact OG1-N 3.22Å; T100-V102 VanDerWaalsContact OG1-N 3.09Å; T100-Y103 HydrophobicContact CG2-CD2 4.19Å; T100-Y103 HydrophobicContact CG2-CE2 4.29Å; T100-Y103 WeakPolarHBondContact OG1-CD2 3.22Å; T100-Y103 PolarHBondContact OG1-N 3.32Å |
| 101 | G | 92.6 | Very high | 97.1 | Very high | 52 Ų | 52 | 36.6 Ų | 36.6 | 54% | 0.536 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 73 | -0.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 102 | V | 94.3 | Very high | 97.2 | Very high | 108 Ų | 108 | 35.3 Ų | 35.3 | 66% | 0.655 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -95.8 | -39.5 | -177.8 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | T100 | T100-V102 PolarHBondContact O-N 2.96Å; T100-V102 PolarHBondContact OG1-N 3.22Å; T100-V102 VanDerWaalsContact OG1-N 3.09Å |
| 103 | Y | 96.3 | Very high | 97.3 | Very high | 49 Ų | 49 | 34.7 Ų | 34.7 | 19% | 0.192 | 19% | 0.192 | C | C | . | . | trans | -100.7 | 134.4 | -177.3 | -55.7 | -62.6 | 0 | 0 | 0 | 111.3 | L83 D98 T100 H108 F122 H124 | L83-Y103 HydrophobicContact CD1-CD1 3.9Å; L83-Y103 HydrophobicContact CD1-CD2 4.25Å; L83-Y103 HydrophobicContact CD1-CE1 3.9Å; L83-Y103 HydrophobicContact CD1-CE2 4.27Å; L83-Y103 HydrophobicContact CD1-CG 4.07Å; L83-Y103 HydrophobicContact CD2-CD2 3.99Å; L83-Y103 HydrophobicContact CD2-CE2 3.55Å; L83-Y103 HydrophobicContact CG-CD2 4.46Å; L83-Y103 HydrophobicContact CG-CE1 4.07Å; L83-Y103 HydrophobicContact CG-CE2 4.02Å; D98-Y103 WeakPolarHBondContact OD2-CD2 3.29Å; T100-Y103 HydrophobicContact CG2-CD2 4.19Å; T100-Y103 HydrophobicContact CG2-CE2 4.29Å; T100-Y103 WeakPolarHBondContact OG1-CD2 3.22Å; T100-Y103 PolarHBondContact OG1-N 3.32Å; Y103-H108 WeakPolarHBondContact CA-ND1 3.45Å; Y103-H108 HydrophobicContact CD1-CB 4.2Å; Y103-H108 AromaticContact CD1-CD2 3.82Å; Y103-H108 AromaticContact CD1-CG 3.73Å; Y103-H108 AromaticContact CD1-ND1 3.88Å; Y103-H108 HydrophobicContact CG-CB 4.35Å; Y103-F122 WeakPolarHBondContact O-CD1 3.45Å; Y103-F122 WeakPolarHBondContact O-CE1 3.28Å; Y103-H124 PolarHBondContact O-CE1 2.74Å; Y103-H124 VanDerWaalsContact O-CE1 3.27Å; Y103-H124 PolarHBondContact O-NE2 3.26Å | ||
| 104 | G | 95.9 | Very high | 97.3 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 12% | 0.124 | 22% | 0.217 | C | C | . | . | trans | -163.8 | 25 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | H108 G126 S127 | G104-H108 PolarHBondContact N-ND1 3.36Å; G104-G126 CarbonylContact O-C 3.48Å; G104-G126 WeakPolarHBondContact O-CA 3.25Å; G104-S127 PolarHBondContact O-N 3.43Å; G104-S127 PolarHBondContact O-OG 3.03Å | ||
| 105 | S | 98 | Very high | 97.3 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 15% | 0.154 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -110.5 | 166.2 | 178.5 | 67.7 | 0 | 0 | 0 | 0 | 112.2 | E107 H108 G109 S127 | S105-E107 VanDerWaalsContact C-N 3.26Å; S105-E107 PolarHBondContact O-N 3.24Å; S105-H108 PolarHBondContact N-ND1 2.83Å; S105-H108 PolarHBondContact O-N 2.94Å; S105-H108 PolarHBondContact OG-CE1 3.38Å; S105-H108 PolarHBondContact OG-N 2.86Å; S105-H108 PolarHBondContact OG-ND1 3.45Å; S105-H108 VanDerWaalsContact OG-ND1 3.08Å; S105-G109 PolarHBondContact O-N 2.96Å; S105-S127 VanDerWaalsContact CA-OG 3.22Å; S105-S127 WeakPolarHBondContact CA-OG 3.28Å |
| 106 | R | 98 | Very high | 97.2 | Very high | 75 Ų | 75 | 38 Ų | 38 | 28% | 0.283 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58 | -42.6 | 174.1 | 178.9 | 169.3 | -66.6 | -84.3 | 0.7 | 110.9 | H108 G109 E110 D129 D131 I149 | R106-H108 VanDerWaalsContact C-N 3.3Å; R106-H108 PolarHBondContact O-N 3.19Å; R106-G109 PolarHBondContact O-N 3.13Å; R106-G109 VanDerWaalsContact O-N 3.09Å; R106-E110 HydrophobicContact CG-CG 4.05Å; R106-E110 WeakPolarHBondContact O-CG 3.39Å; R106-E110 PolarHBondContact O-N 3.11Å; R106-D129 HydrophobicContact CB-CB 4.3Å; R106-D129 WeakPolarHBondContact CB-OD2 3.48Å; R106-D129 PolarHBondContact N-OD2 3.49Å; R106-D129 PolarHBondContact NE-O 2.83Å; R106-D129 PolarHBondContact NH2-O 3.22Å; R106-D131 IonicContact CZ-OD1 3.33Å; R106-D131 IonicContact NH1-OD1 3.08Å; R106-D131 PolarHBondContact NH1-OD1 2.98Å; R106-D131 VanDerWaalsContact NH1-OD1 3.08Å; R106-D131 IonicContact NH2-OD1 2.67Å; R106-D131 PolarHBondContact NH2-OD1 2.98Å; R106-I149 HydrophobicContact CG-CD1 4.02Å |
| 107 | E | 97.8 | Very high | 97.2 | Very high | 152 Ų | 152 | 38.1 Ų | 38.1 | 71% | 0.71 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -53.9 | -46.4 | 177 | -176.4 | -175.7 | 175.4 | 0 | 0 | 112 | S105 E110 A111 | S105-E107 VanDerWaalsContact C-N 3.26Å; S105-E107 PolarHBondContact O-N 3.24Å; E107-E110 PolarHBondContact O-N 3.5Å; E107-A111 PolarHBondContact O-N 3.37Å |
| 108 | H | 98 | Very high | 97.1 | Very high | 56 Ų | 56 | 44 Ų | 44 | 26% | 0.259 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 177.5 | -55.6 | 146.7 | 0 | 0 | 0 | 112.4 | L83 Y103 G104 S105 R106 A111 H112 F122 | L83-H108 HydrophobicContact CD1-CB 4.15Å; Y103-H108 WeakPolarHBondContact CA-ND1 3.45Å; Y103-H108 HydrophobicContact CD1-CB 4.2Å; Y103-H108 AromaticContact CD1-CD2 3.82Å; Y103-H108 AromaticContact CD1-CG 3.73Å; Y103-H108 AromaticContact CD1-ND1 3.88Å; Y103-H108 HydrophobicContact CG-CB 4.35Å; G104-H108 PolarHBondContact N-ND1 3.36Å; S105-H108 PolarHBondContact N-ND1 2.83Å; S105-H108 PolarHBondContact O-N 2.94Å; S105-H108 PolarHBondContact OG-CE1 3.38Å; S105-H108 PolarHBondContact OG-N 2.86Å; S105-H108 PolarHBondContact OG-ND1 3.45Å; S105-H108 VanDerWaalsContact OG-ND1 3.08Å; R106-H108 VanDerWaalsContact C-N 3.3Å; R106-H108 PolarHBondContact O-N 3.19Å; H108-A111 WeakPolarHBondContact O-CB 3.45Å; H108-A111 PolarHBondContact O-N 2.99Å; H108-H112 PolarHBondContact O-N 2.59Å; H108-F122 HydrophobicContact CB-CZ 4.24Å |
| 109 | G | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S105 R106 A111 H112 I113 | S105-G109 PolarHBondContact O-N 2.96Å; R106-G109 PolarHBondContact O-N 3.13Å; R106-G109 VanDerWaalsContact O-N 3.09Å; G109-A111 VanDerWaalsContact C-N 3.28Å; G109-A111 PolarHBondContact O-N 3.36Å; G109-H112 PolarHBondContact O-N 2.88Å; G109-I113 PolarHBondContact O-N 3.32Å |
| 110 | E | 98.2 | Very high | 97.1 | Very high | 79 Ų | 79 | 44.2 Ų | 44.2 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.9 | -32.4 | 175.1 | -68.5 | -60.4 | 165.2 | 0 | 0 | 112 | R106 E107 I113 A114 I149 | R106-E110 HydrophobicContact CG-CG 4.05Å; R106-E110 WeakPolarHBondContact O-CG 3.39Å; R106-E110 PolarHBondContact O-N 3.11Å; E107-E110 PolarHBondContact O-N 3.5Å; E110-I113 PolarHBondContact O-N 2.92Å; E110-A114 WeakPolarHBondContact O-CB 3.47Å; E110-A114 PolarHBondContact O-N 3.1Å; E110-I149 HydrophobicContact CG-CD1 3.91Å; E110-I149 WeakPolarHBondContact OE1-CD1 3.36Å |
| 111 | A | 98.2 | Very high | 97.2 | Very high | 15 Ų | 15 | 42 Ų | 42 | 12% | 0.124 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L83 E107 H108 G109 A114 A115 | L83-A111 HydrophobicContact CB-CB 3.9Å; L83-A111 HydrophobicContact CD1-CB 3.94Å; E107-A111 PolarHBondContact O-N 3.37Å; H108-A111 WeakPolarHBondContact O-CB 3.45Å; H108-A111 PolarHBondContact O-N 2.99Å; G109-A111 VanDerWaalsContact C-N 3.28Å; G109-A111 PolarHBondContact O-N 3.36Å; A111-A114 PolarHBondContact O-N 2.85Å; A111-A115 PolarHBondContact O-N 2.96Å |
| 112 | H | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -38.5 | 172.1 | -77.7 | -55.4 | 0 | 0 | 0 | 112.9 | N8 L83 W88 D98 H108 G109 A115 G116 A117 V120 | N8-H112 PolarHBondContact ND2-CE1 2.82Å; L83-H112 WeakPolarHBondContact CD2-CE1 3.17Å; W88-H112 AromaticContact CD1-ND1 3.94Å; W88-H112 AromaticContact NE1-CE1 3.89Å; W88-H112 AromaticContact NE1-ND1 3.1Å; W88-H112 PolarHBondContact NE1-ND1 3.27Å; W88-H112 VanDerWaalsContact NE1-ND1 3.1Å; D98-H112 IonicContact OD2-CE1 3.82Å; D98-H112 IonicContact OD2-NE2 3.03Å; D98-H112 PolarHBondContact OD2-NE2 2.83Å; H108-H112 PolarHBondContact O-N 2.59Å; G109-H112 PolarHBondContact O-N 2.88Å; H112-A115 WeakPolarHBondContact O-CB 3.24Å; H112-A115 PolarHBondContact O-N 2.81Å; H112-G116 PolarHBondContact O-N 3.03Å; H112-A117 WeakPolarHBondContact O-CB 3.36Å; H112-A117 PolarHBondContact O-N 3.27Å; H112-A117 VanDerWaalsContact O-N 3.14Å; H112-V120 HydrophobicContact CB-CG2 3.55Å |
| 113 | I | 97.8 | Very high | 97.6 | Very high | 21 Ų | 21 | 35 Ų | 35 | 11% | 0.108 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 175.6 | -78 | 171.3 | 0 | 0 | 0 | 111 | G109 E110 A115 G116 A117 V120 R148 I149 | G109-I113 PolarHBondContact O-N 3.32Å; E110-I113 PolarHBondContact O-N 2.92Å; I113-A115 VanDerWaalsContact C-N 3.29Å; I113-A115 PolarHBondContact O-N 3.46Å; I113-G116 WeakPolarHBondContact O-CA 3.42Å; I113-G116 PolarHBondContact O-N 3.24Å; I113-A117 WeakPolarHBondContact CA-O 3.47Å; I113-V120 HydrophobicContact CG1-CG2 4.32Å; I113-R148 HydrophobicContact CD1-CB 3.89Å; I113-I149 HydrophobicContact CD1-CD1 4.01Å; I113-I149 HydrophobicContact CD1-CG1 3.73Å |
| 114 | A | 97.6 | Very high | 97.5 | Very high | 66 Ų | 66 | 34.7 Ų | 34.7 | 55% | 0.545 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62 | -37.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R89 E110 A111 G116 | R89-A114 PolarHBondContact NH2-O 2.74Å; R89-A114 VanDerWaalsContact NH2-O 3.1Å; E110-A114 WeakPolarHBondContact O-CB 3.47Å; E110-A114 PolarHBondContact O-N 3.1Å; A111-A114 PolarHBondContact O-N 2.85Å; A114-G116 PolarHBondContact O-N 3.22Å |
| 115 | A | 97.5 | Very high | 97.4 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 11% | 0.107 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.8 | -16.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L86 W88 R89 A111 H112 I113 | L86-A115 HydrophobicContact CB-CB 4.31Å; L86-A115 WeakPolarHBondContact O-CB 3.33Å; W88-A115 HydrophobicContact CB-CB 4.43Å; W88-A115 HydrophobicContact CG-CB 4.24Å; W88-A115 PolarHBondContact N-O 3.26Å; R89-A115 PolarHBondContact N-O 3.14Å; A111-A115 PolarHBondContact O-N 2.96Å; H112-A115 WeakPolarHBondContact O-CB 3.24Å; H112-A115 PolarHBondContact O-N 2.81Å; I113-A115 VanDerWaalsContact C-N 3.29Å; I113-A115 PolarHBondContact O-N 3.46Å |
| 116 | G | 96.3 | Very high | 97.1 | Very high | 20 Ų | 20 | 36.8 Ų | 36.8 | 21% | 0.206 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 117.2 | 4.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | H112 I113 A114 | H112-G116 PolarHBondContact O-N 3.03Å; I113-G116 WeakPolarHBondContact O-CA 3.42Å; I113-G116 PolarHBondContact O-N 3.24Å; A114-G116 PolarHBondContact O-N 3.22Å |
| 117 | A | 97.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | trans | -67.8 | 139.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | W88 V93 V96 H112 I113 | W88-A117 HydrophobicContact CB-CB 4.18Å; W88-A117 HydrophobicContact CG-CB 4.27Å; V93-A117 HydrophobicContact CG1-CB 4.38Å; V96-A117 HydrophobicContact CB-CB 4.35Å; V96-A117 HydrophobicContact CG2-CB 3.66Å; H112-A117 WeakPolarHBondContact O-CB 3.36Å; H112-A117 PolarHBondContact O-N 3.27Å; H112-A117 VanDerWaalsContact O-N 3.14Å; I113-A117 WeakPolarHBondContact CA-O 3.47Å | ||
| 118 | K | 96.7 | Very high | 96.6 | Very high | 124 Ų | 124 | 35.2 Ų | 35.2 | 54% | 0.539 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -73.3 | -42.6 | 176.6 | -57.4 | 178.3 | -174.8 | 162.4 | 0 | 111.5 | V93 D94 R148 | V93-K118 PolarHBondContact O-N 2.9Å; V93-K118 VanDerWaalsContact O-N 3.15Å; D94-K118 WeakPolarHBondContact O-CB 3.44Å; D94-K118 WeakPolarHBondContact OD1-CD 3.28Å; D94-K118 WeakPolarHBondContact OD1-CE 3.48Å; D94-K118 IonicContact OD1-NZ 2.76Å; D94-K118 PolarHBondContact OD1-NZ 3.23Å; K118-R148 PolarHBondContact O-NE 3.08Å; K118-R148 PolarHBondContact O-NH2 3.21Å |
| 119 | K | 97.8 | Very high | 96.5 | Very high | 17 Ų | 17 | 35.9 Ų | 35.9 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 163.4 | 177.8 | -55.4 | -166.3 | 175.5 | -156.9 | 0 | 112.5 | D94 V95 V96 H147 R148 M333 | D94-K119 PolarHBondContact O-N 2.85Å; V95-K119 WeakPolarHBondContact CA-O 3.4Å; V95-K119 HydrophobicContact CG2-CB 4.34Å; V96-K119 PolarHBondContact N-O 3.09Å; K119-H147 WeakPolarHBondContact CE-O 3.46Å; K119-H147 PolarHBondContact NZ-O 3.03Å; K119-R148 CarbonylContact C-O 3.57Å; K119-R148 VanDerWaalsContact CA-O 3.28Å; K119-R148 WeakPolarHBondContact CA-O 3.35Å; K119-R148 WeakPolarHBondContact CB-O 3.08Å; K119-M333 HydrophobicContact CB-CE 3.93Å; K119-M333 HydrophobicContact CD-CB 4.29Å; K119-M333 HydrophobicContact CD-CE 4.18Å; K119-M333 WeakPolarHBondContact CE-O 3.42Å; K119-M333 PolarHBondContact NZ-O 3.39Å |
| 120 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 130 | -178.8 | -175.8 | 0 | 0 | 0 | 0 | 109.8 | V96 H112 I113 F122 R148 V150 M333 | V96-V120 HydrophobicContact CG1-CG1 4.44Å; V96-V120 CarbonylContact O-C 3.54Å; V96-V120 WeakPolarHBondContact O-CA 3.25Å; H112-V120 HydrophobicContact CB-CG2 3.55Å; I113-V120 HydrophobicContact CG1-CG2 4.32Å; V120-F122 HydrophobicContact CG1-CE1 4.18Å; V120-F122 HydrophobicContact CG1-CE2 4.15Å; V120-F122 HydrophobicContact CG1-CZ 3.95Å; V120-R148 PolarHBondContact N-O 3.25Å; V120-V150 PolarHBondContact O-N 2.68Å; V120-M333 WeakPolarHBondContact O-CE 3.27Å |
| 121 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 112.5 | 172.9 | 179.7 | 59.1 | 0 | 0 | 0 | 110.2 | V95 V96 L97 D98 V150 N152 M326 T329 M333 | V95-L121 HydrophobicContact CG1-CB 4.33Å; V96-L121 PolarHBondContact O-N 2.94Å; L97-L121 WeakPolarHBondContact CA-O 3.23Å; L97-L121 HydrophobicContact CD2-CB 3.77Å; L97-L121 HydrophobicContact CD2-CD2 3.71Å; L97-L121 HydrophobicContact CD2-CG 4.08Å; D98-L121 PolarHBondContact N-O 3.04Å; L121-V150 CarbonylContact C-O 3.6Å; L121-V150 WeakPolarHBondContact CA-O 3.35Å; L121-V150 HydrophobicContact CD1-CB 4.19Å; L121-V150 HydrophobicContact CD1-CG1 3.95Å; L121-N152 HydrophobicContact CD1-CB 3.92Å; L121-N152 HydrophobicContact CG-CB 4.4Å; L121-M326 HydrophobicContact CD2-CE 3.96Å; L121-M326 HydrophobicContact CD2-SD 4.04Å; L121-M326 HydrophobicContact CG-CE 3.96Å; L121-M326 HydrophobicContact CG-SD 4.2Å; L121-T329 HydrophobicContact CD1-CG2 3.79Å; L121-T329 HydrophobicContact CD2-CG2 3.79Å; L121-T329 HydrophobicContact CG-CG2 4.47Å; L121-M333 HydrophobicContact CB-CE 4.46Å; L121-M333 HydrophobicContact CB-SD 3.87Å; L121-M333 HydrophobicContact CD1-SD 3.81Å; L121-M333 HydrophobicContact CD2-SD 4.28Å; L121-M333 HydrophobicContact CG-SD 4.2Å |
| 122 | F | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 134.4 | 174 | -65.3 | -70.4 | 0 | 0 | 0 | 111.4 | D98 Y103 H108 V120 H124 L130 I149 V150 S151 N152 | D98-F122 HydrophobicContact CB-CD1 3.67Å; D98-F122 HydrophobicContact CB-CE1 3.93Å; Y103-F122 WeakPolarHBondContact O-CD1 3.45Å; Y103-F122 WeakPolarHBondContact O-CE1 3.28Å; H108-F122 HydrophobicContact CB-CZ 4.24Å; V120-F122 HydrophobicContact CG1-CE1 4.18Å; V120-F122 HydrophobicContact CG1-CE2 4.15Å; V120-F122 HydrophobicContact CG1-CZ 3.95Å; F122-H124 PolarHBondContact O-N 3.26Å; F122-L130 HydrophobicContact CD2-CD1 3.81Å; F122-L130 HydrophobicContact CE2-CD1 4.25Å; F122-L130 HydrophobicContact CE2-CD2 4.21Å; F122-I149 HydrophobicContact CD2-CG2 4.32Å; F122-I149 HydrophobicContact CE2-CG2 3.59Å; F122-I149 HydrophobicContact CZ-CG2 4.48Å; F122-V150 PolarHBondContact N-O 3.13Å; F122-S151 WeakPolarHBondContact O-CA 3.19Å; F122-N152 PolarHBondContact O-N 3.28Å |
| 123 | S | 97.2 | Very high | 96.1 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -85.5 | 24 | -178 | 88.9 | 0 | 0 | 0 | 0 | 114.4 | D98 C99 F322 | D98-S123 WeakPolarHBondContact O-CB 3.32Å; D98-S123 PolarHBondContact O-N 3.02Å; D98-S123 PolarHBondContact O-OG 2.77Å; C99-S123 WeakPolarHBondContact CA-OG 3.46Å; S123-F322 VanDerWaalsContact O-CE1 3.29Å; S123-F322 WeakPolarHBondContact O-CE1 3.32Å; S123-F322 VanDerWaalsContact O-CZ 3.24Å; S123-F322 WeakPolarHBondContact O-CZ 3.26Å |
| 124 | H | 94.3 | Very high | 96.1 | Very high | 41 Ų | 41 | 34.6 Ų | 34.6 | 19% | 0.19 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -154.6 | 169.5 | 176.8 | 62.2 | 84.8 | 0 | 0 | 0 | 109.6 | Y103 F122 G126 S151 A153 | Y103-H124 PolarHBondContact O-CE1 2.74Å; Y103-H124 VanDerWaalsContact O-CE1 3.27Å; Y103-H124 PolarHBondContact O-NE2 3.26Å; F122-H124 PolarHBondContact O-N 3.26Å; H124-G126 PolarHBondContact O-N 3.25Å; H124-S151 VanDerWaalsContact O-CB 3.26Å; H124-S151 WeakPolarHBondContact O-CB 3.13Å; H124-A153 CarbonylContact C-O 3.06Å; H124-A153 WeakPolarHBondContact CA-O 3.36Å |
| 125 | P | 92.3 | Very high | 96.1 | Very high | 68 Ų | 68 | 31.5 Ų | 31.5 | 44% | 0.442 | 18% | 0.181 | S | C | . | . | trans | -58.4 | 117.1 | 172.8 | -21.6 | 33.5 | 0 | 0 | 0 | 110 | A153 | P125-A153 WeakPolarHBondContact CD-O 3.46Š| ||
| 126 | G | 93.2 | Very high | 96 | Very high | 10 Ų | 10 | 33.4 Ų | 33.4 | 10% | 0.103 | 19% | 0.186 | C | C | . | . | trans | -85.2 | 176.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G104 H124 R221 | G104-G126 CarbonylContact O-C 3.48Å; G104-G126 WeakPolarHBondContact O-CA 3.25Å; H124-G126 PolarHBondContact O-N 3.25Å; G126-R221 PolarHBondContact O-NH1 3.25Å; G126-R221 VanDerWaalsContact O-NH1 3.15Å | ||
| 127 | S | 93.5 | Very high | 95.7 | Very high | 46 Ų | 46 | 33.2 Ų | 33.2 | 32% | 0.322 | 18% | 0.184 | S | C | . | . | trans | -66.1 | 172.3 | 177.2 | 42.9 | 0 | 0 | 0 | 0 | 112.7 | G104 S105 D129 L130 R221 | G104-S127 PolarHBondContact O-N 3.43Å; G104-S127 PolarHBondContact O-OG 3.03Å; S105-S127 VanDerWaalsContact CA-OG 3.22Å; S105-S127 WeakPolarHBondContact CA-OG 3.28Å; S127-D129 WeakPolarHBondContact CB-OD1 3.38Å; S127-D129 PolarHBondContact O-N 3.06Å; S127-D129 PolarHBondContact OG-OD1 2.77Å; S127-L130 WeakPolarHBondContact O-CG 3.36Å; S127-R221 PolarHBondContact O-NH2 3.45Å | ||
| 128 | N | 91.5 | Very high | 95.6 | Very high | 149 Ų | 149 | 34.1 Ų | 34.1 | 80% | 0.797 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -7.8 | -173.7 | -63.8 | -17 | 0 | 0 | 0 | 113.3 | ||
| 129 | D | 95.3 | Very high | 95.5 | Very high | 70 Ų | 70 | 29 Ų | 29 | 37% | 0.374 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -4 | -179.9 | 64 | -25.7 | 0 | 0 | 0 | 113.6 | R106 S127 | R106-D129 HydrophobicContact CB-CB 4.3Å; R106-D129 WeakPolarHBondContact CB-OD2 3.48Å; R106-D129 PolarHBondContact N-OD2 3.49Å; R106-D129 PolarHBondContact NE-O 2.83Å; R106-D129 PolarHBondContact NH2-O 3.22Å; S127-D129 WeakPolarHBondContact CB-OD1 3.38Å; S127-D129 PolarHBondContact O-N 3.06Å; S127-D129 PolarHBondContact OG-OD1 2.77Å |
| 130 | L | 96.8 | Very high | 95.2 | Very high | 14 Ų | 14 | 29.8 Ų | 29.8 | 7% | 0.073 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -70.3 | 159.1 | 176.8 | -57.7 | -166 | 0 | 0 | 0 | 112.3 | F122 S127 A132 I149 | F122-L130 HydrophobicContact CD2-CD1 3.81Å; F122-L130 HydrophobicContact CE2-CD1 4.25Å; F122-L130 HydrophobicContact CE2-CD2 4.21Å; S127-L130 WeakPolarHBondContact O-CG 3.36Å; L130-A132 VanDerWaalsContact C-N 3.33Å; L130-A132 PolarHBondContact O-N 2.87Å; L130-I149 HydrophobicContact CD2-CG2 3.74Å |
| 131 | D | 96.7 | Very high | 94.7 | Very high | 43 Ų | 43 | 34.9 Ų | 34.9 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -65.5 | -38.3 | -179.3 | -62.4 | -34.7 | 0 | 0 | 0 | 112 | R106 H147 R148 I149 | R106-D131 IonicContact CZ-OD1 3.33Å; R106-D131 IonicContact NH1-OD1 3.08Å; R106-D131 PolarHBondContact NH1-OD1 2.98Å; R106-D131 VanDerWaalsContact NH1-OD1 3.08Å; R106-D131 IonicContact NH2-OD1 2.67Å; R106-D131 PolarHBondContact NH2-OD1 2.98Å; D131-H147 HydrophobicContact CB-CB 3.87Å; D131-R148 PolarHBondContact OD2-N 3.07Å; D131-I149 WeakPolarHBondContact CB-O 3.36Å; D131-I149 PolarHBondContact N-O 2.81Å; D131-I149 PolarHBondContact OD2-N 3.25Å |
| 132 | A | 95.6 | Very high | 94.3 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 156.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L130 V134 L143 V150 S151 | L130-A132 VanDerWaalsContact C-N 3.33Å; L130-A132 PolarHBondContact O-N 2.87Å; A132-V134 HydrophobicContact CB-CG2 4.31Å; A132-L143 HydrophobicContact CB-CD2 4.07Å; A132-V150 HydrophobicContact CB-CG1 4.3Å; A132-V150 HydrophobicContact CB-CG2 4.29Å; A132-V150 WeakPolarHBondContact O-CA 3.2Å; A132-S151 PolarHBondContact O-N 3.1Å |
| 133 | T | 96 | Very high | 94 | Very high | 11 Ų | 11 | 41.5 Ų | 41.5 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.7 | 157.5 | -61.2 | 0 | 0 | 0 | 0 | 107.8 | N139 S151 A153 R221 F222 | T133-N139 PolarHBondContact O-ND2 2.96Å; T133-S151 CarbonylContact C-O 3.57Å; T133-S151 VanDerWaalsContact CA-O 3.27Å; T133-S151 WeakPolarHBondContact CA-O 3.35Å; T133-S151 WeakPolarHBondContact CB-OG 3.17Å; T133-S151 WeakPolarHBondContact CG2-OG 3.33Å; T133-S151 PolarHBondContact OG1-OG 3.33Å; T133-A153 HydrophobicContact CG2-CB 3.78Å; T133-R221 PolarHBondContact OG1-NE 3.33Å; T133-R221 PolarHBondContact OG1-NH1 2.85Å; T133-R221 VanDerWaalsContact OG1-NH1 3.15Å; T133-R221 PolarHBondContact OG1-NH2 3.34Å; T133-F222 HydrophobicContact CG2-CE2 4.5Å; T133-F222 HydrophobicContact CG2-CZ 3.8Å; T133-F222 WeakPolarHBondContact O-CE1 3.45Å |
| 134 | V | 96.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | trans | -111.1 | 133.4 | -171.5 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | A132 N139 Q140 L143 V150 S151 N152 T329 | A132-V134 HydrophobicContact CB-CG2 4.31Å; V134-N139 WeakPolarHBondContact CA-OD1 3.45Å; V134-Q140 HydrophobicContact CG1-CB 3.9Å; V134-L143 HydrophobicContact CG2-CD1 4.11Å; V134-L143 HydrophobicContact CG2-CD2 3.73Å; V134-L143 HydrophobicContact CG2-CG 3.92Å; V134-V150 HydrophobicContact CB-CG1 4.35Å; V134-V150 HydrophobicContact CG2-CG1 3.67Å; V134-S151 PolarHBondContact N-O 2.84Å; V134-N152 CarbonylContact O-C 3.53Å; V134-T329 HydrophobicContact CB-CG2 4.02Å; V134-T329 HydrophobicContact CG1-CG2 4Å; V134-T329 HydrophobicContact CG2-CG2 4.46Å | ||
| 135 | V | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -112.4 | 111.3 | 156.3 | 171.8 | 0 | 0 | 0 | 0 | 105.9 | V138 N139 A153 T157 I161 P162 F222 | V135-V138 HydrophobicContact CB-CB 4.24Å; V135-V138 HydrophobicContact CB-CG2 4.37Å; V135-V138 HydrophobicContact CG1-CB 4.14Å; V135-V138 HydrophobicContact CG1-CG2 3.73Å; V135-V138 WeakPolarHBondContact O-CB 3.44Å; V135-V138 PolarHBondContact O-N 3.38Å; V135-N139 PolarHBondContact N-OD1 3.21Å; V135-N139 PolarHBondContact O-N 3.44Å; V135-N139 PolarHBondContact O-OD1 2.56Å; V135-A153 HydrophobicContact CG2-CB 4.03Å; V135-T157 HydrophobicContact CG2-CG2 3.94Å; V135-I161 HydrophobicContact CB-CG2 4.41Å; V135-I161 HydrophobicContact CG1-CB 4.27Å; V135-I161 HydrophobicContact CG1-CG2 4.25Å; V135-I161 HydrophobicContact CG2-CB 4.4Å; V135-I161 HydrophobicContact CG2-CG1 4.44Å; V135-I161 HydrophobicContact CG2-CG2 4.43Å; V135-P162 HydrophobicContact CG1-CG 4.26Å; V135-F222 HydrophobicContact CB-CE1 4.18Å; V135-F222 HydrophobicContact CB-CZ 4.33Å; V135-F222 HydrophobicContact CG2-CE1 3.82Å; V135-F222 HydrophobicContact CG2-CE2 3.91Å; V135-F222 HydrophobicContact CG2-CZ 3.48Å; V135-F222 VanDerWaalsContact CG2-CZ 3.48Å | ||
| 136 | Y | 95.6 | Very high | 93.2 | Very high | 54 Ų | 54 | 51.3 Ų | 51.3 | 21% | 0.212 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 138.2 | -177.3 | -165.8 | -88.7 | 0 | 0 | 0 | 110.5 | V138 Q140 I275 D328 A332 | Y136-V138 VanDerWaalsContact C-N 3.34Å; Y136-Q140 HydrophobicContact CD2-CB 3.85Å; Y136-Q140 HydrophobicContact CD2-CG 3.84Å; Y136-Q140 HydrophobicContact CE2-CB 4.23Å; Y136-Q140 HydrophobicContact CE2-CG 3.84Å; Y136-Q140 HydrophobicContact CG-CG 4.45Å; Y136-I275 HydrophobicContact CD1-CD1 3.64Å; Y136-I275 HydrophobicContact CD1-CG1 4.36Å; Y136-I275 HydrophobicContact CE1-CD1 4.06Å; Y136-D328 HydrophobicContact CD1-CB 3.77Å; Y136-D328 HydrophobicContact CD2-CB 3.66Å; Y136-D328 HydrophobicContact CE1-CB 3.83Å; Y136-D328 HydrophobicContact CE2-CB 3.69Å; Y136-D328 WeakPolarHBondContact CE2-O 3.31Å; Y136-D328 HydrophobicContact CG-CB 3.71Å; Y136-A332 HydrophobicContact CD2-CB 4.46Å; Y136-A332 HydrophobicContact CE2-CB 4.02Å |
| 137 | G | 91.6 | Very high | 93.3 | Very high | 16 Ų | 16 | 51.3 Ų | 51.3 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | -14.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q140 F272 I275 | G137-Q140 VanDerWaalsContact C-OE1 3.29Å; G137-Q140 VanDerWaalsContact CA-OE1 3.32Å; G137-Q140 VanDerWaalsContact N-CD 3.27Å; G137-F272 VanDerWaalsContact O-CE1 3.22Å; G137-F272 WeakPolarHBondContact O-CE1 3.4Å; G137-I275 VanDerWaalsContact CA-CD1 3.5Å |
| 138 | V | 94.5 | Very high | 93.4 | Very high | 20 Ų | 20 | 53.7 Ų | 53.7 | 12% | 0.121 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -50.1 | -173.3 | -179.1 | 0 | 0 | 0 | 0 | 112.4 | V135 Y136 I161 P162 K165 F272 | V135-V138 HydrophobicContact CB-CB 4.24Å; V135-V138 HydrophobicContact CB-CG2 4.37Å; V135-V138 HydrophobicContact CG1-CB 4.14Å; V135-V138 HydrophobicContact CG1-CG2 3.73Å; V135-V138 WeakPolarHBondContact O-CB 3.44Å; V135-V138 PolarHBondContact O-N 3.38Å; Y136-V138 VanDerWaalsContact C-N 3.34Å; V138-I161 HydrophobicContact CB-CG2 4.31Å; V138-I161 HydrophobicContact CG1-CG2 3.82Å; V138-I161 HydrophobicContact CG2-CG2 3.99Å; V138-P162 HydrophobicContact CG2-CB 4.4Å; V138-P162 HydrophobicContact CG2-CG 3.96Å; V138-K165 HydrophobicContact CG1-CD 3.92Å; V138-F272 HydrophobicContact CG2-CE1 3.99Å; V138-F272 HydrophobicContact CG2-CZ 4.37Å |
| 139 | N | 93.9 | Very high | 93.7 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 9% | 0.086 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -140.7 | 14 | -174 | 77 | -32.9 | 0 | 0 | 0 | 114.9 | T133 V134 V135 D141 Q142 F222 | T133-N139 PolarHBondContact O-ND2 2.96Å; V134-N139 WeakPolarHBondContact CA-OD1 3.45Å; V135-N139 PolarHBondContact N-OD1 3.21Å; V135-N139 PolarHBondContact O-N 3.44Å; V135-N139 PolarHBondContact O-OD1 2.56Å; N139-D141 VanDerWaalsContact CA-OD1 3.27Å; N139-D141 WeakPolarHBondContact CA-OD1 3.29Å; N139-D141 PolarHBondContact O-N 2.99Å; N139-Q142 HydrophobicContact CB-CG 4.27Å; N139-Q142 WeakPolarHBondContact O-CB 3.43Å; N139-Q142 PolarHBondContact O-N 3.42Å; N139-F222 WeakPolarHBondContact ND2-CE1 3.27Å |
| 140 | Q | 92.8 | Very high | 93.9 | Very high | 34 Ų | 34 | 43.2 Ų | 43.2 | 16% | 0.159 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -63.7 | -20.7 | 176.9 | 75.1 | -75.3 | 3.3 | 0 | 0 | 113.3 | V134 Y136 G137 Q142 L143 A332 | V134-Q140 HydrophobicContact CG1-CB 3.9Å; Y136-Q140 HydrophobicContact CD2-CB 3.85Å; Y136-Q140 HydrophobicContact CD2-CG 3.84Å; Y136-Q140 HydrophobicContact CE2-CB 4.23Å; Y136-Q140 HydrophobicContact CE2-CG 3.84Å; Y136-Q140 HydrophobicContact CG-CG 4.45Å; G137-Q140 VanDerWaalsContact C-OE1 3.29Å; G137-Q140 VanDerWaalsContact CA-OE1 3.32Å; G137-Q140 VanDerWaalsContact N-CD 3.27Å; Q140-Q142 VanDerWaalsContact C-N 3.25Å; Q140-L143 WeakPolarHBondContact O-CB 3.47Å; Q140-L143 PolarHBondContact O-N 3.14Å; Q140-A332 HydrophobicContact CB-CB 4.42Å |
| 141 | D | 87.8 | Confident | 93.9 | Very high | 108 Ų | 108 | 42.6 Ų | 42.6 | 58% | 0.578 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -69.9 | -19.4 | 172.1 | 61.7 | -36.6 | 0 | 0 | 0 | 113.1 | N139 L143 | N139-D141 VanDerWaalsContact CA-OD1 3.27Å; N139-D141 WeakPolarHBondContact CA-OD1 3.29Å; N139-D141 PolarHBondContact O-N 2.99Å; D141-L143 VanDerWaalsContact C-N 3.29Å |
| 142 | Q | 89.6 | Confident | 93.9 | Very high | 126 Ų | 126 | 40.5 Ų | 40.5 | 59% | 0.589 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -81.5 | -7.9 | 175.3 | -56.1 | 179.3 | 3.8 | 0 | 0 | 113.5 | N139 Q140 R144 H147 | N139-Q142 HydrophobicContact CB-CG 4.27Å; N139-Q142 WeakPolarHBondContact O-CB 3.43Å; N139-Q142 PolarHBondContact O-N 3.42Å; Q140-Q142 VanDerWaalsContact C-N 3.25Å; Q142-R144 PolarHBondContact O-N 3.35Å; Q142-H147 PolarHBondContact O-CE1 3.26Å |
| 143 | L | 92.6 | Very high | 93.9 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | trans | -62.4 | 133 | 174.2 | -75.1 | 171.4 | 0 | 0 | 0 | 110.2 | A132 V134 Q140 D141 H147 V150 A332 M333 V336 | A132-L143 HydrophobicContact CB-CD2 4.07Å; V134-L143 HydrophobicContact CG2-CD1 4.11Å; V134-L143 HydrophobicContact CG2-CD2 3.73Å; V134-L143 HydrophobicContact CG2-CG 3.92Å; Q140-L143 WeakPolarHBondContact O-CB 3.47Å; Q140-L143 PolarHBondContact O-N 3.14Å; D141-L143 VanDerWaalsContact C-N 3.29Å; L143-H147 HydrophobicContact CD2-CB 4.46Å; L143-V150 HydrophobicContact CD2-CG1 4.25Å; L143-V150 HydrophobicContact CD2-CG2 3.89Å; L143-A332 HydrophobicContact CD1-CB 3.87Å; L143-M333 HydrophobicContact CD1-CG 3.93Å; L143-M333 HydrophobicContact CD2-CG 4.35Å; L143-V336 HydrophobicContact CB-CB 4.31Å; L143-V336 HydrophobicContact CB-CG1 4.2Å; L143-V336 HydrophobicContact CB-CG2 3.6Å; L143-V336 HydrophobicContact CD1-CG2 4.43Å; L143-V336 VanDerWaalsContact O-CG1 3.25Å; L143-V336 WeakPolarHBondContact O-CG1 3.49Å | ||
| 144 | R | 89.7 | Confident | 93.8 | Very high | 136 Ų | 136 | 40.4 Ų | 40.4 | 51% | 0.513 | 20% | 0.202 | S | C | . | . | trans | -113.2 | 158.3 | 178.5 | -58.6 | -168.2 | -63.5 | -110.2 | 1.8 | 111.9 | Q142 E146 H147 V336 | Q142-R144 PolarHBondContact O-N 3.35Å; R144-E146 HydrophobicContact CB-CG 3.92Å; R144-E146 IonicContact CZ-OE1 3.36Å; R144-E146 IonicContact NE-OE1 2.77Å; R144-E146 PolarHBondContact NE-OE1 2.62Å; R144-E146 IonicContact NH2-OE1 3.14Å; R144-E146 PolarHBondContact NH2-OE1 2.86Å; R144-E146 VanDerWaalsContact NH2-OE1 3.14Å; R144-E146 PolarHBondContact O-N 3.46Å; R144-H147 PolarHBondContact N-ND1 2.71Å; R144-H147 PolarHBondContact NE-NE2 3.47Å; R144-H147 PolarHBondContact NH2-NE2 2.84Å; R144-H147 VanDerWaalsContact O-CB 3.29Å; R144-H147 WeakPolarHBondContact O-CB 3.34Å; R144-H147 PolarHBondContact O-N 2.99Å; R144-V336 VanDerWaalsContact O-CG1 3.27Å; R144-V336 WeakPolarHBondContact O-CG1 3.4Å | ||
| 145 | A | 85.4 | Confident | 93.7 | Very high | 66 Ų | 66 | 41.5 Ų | 41.5 | 55% | 0.545 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -38.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | H147 | A145-H147 VanDerWaalsContact C-N 3.27Å; A145-H147 PolarHBondContact O-N 3.34Å |
| 146 | E | 90.9 | Very high | 93.6 | Very high | 125 Ų | 125 | 42.3 Ų | 42.3 | 58% | 0.584 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -15.5 | 174.9 | 68.2 | -155 | -154.5 | 0 | 0 | 114.7 | R144 R148 | R144-E146 HydrophobicContact CB-CG 3.92Å; R144-E146 IonicContact CZ-OE1 3.36Å; R144-E146 IonicContact NE-OE1 2.77Å; R144-E146 PolarHBondContact NE-OE1 2.62Å; R144-E146 IonicContact NH2-OE1 3.14Å; R144-E146 PolarHBondContact NH2-OE1 2.86Å; R144-E146 VanDerWaalsContact NH2-OE1 3.14Å; R144-E146 PolarHBondContact O-N 3.46Å; E146-R148 PolarHBondContact O-N 3.37Å |
| 147 | H | 95 | Very high | 93.6 | Very high | 11 Ų | 11 | 40 Ų | 40 | 5% | 0.051 | 21% | 0.205 | C | C | . | . | trans | -73.3 | 116.8 | 176.3 | -63.3 | 169.6 | 0 | 0 | 0 | 109.6 | K119 D131 Q142 L143 R144 A145 V150 | K119-H147 WeakPolarHBondContact CE-O 3.46Å; K119-H147 PolarHBondContact NZ-O 3.03Å; D131-H147 HydrophobicContact CB-CB 3.87Å; Q142-H147 PolarHBondContact O-CE1 3.26Å; L143-H147 HydrophobicContact CD2-CB 4.46Å; R144-H147 PolarHBondContact N-ND1 2.71Å; R144-H147 PolarHBondContact NE-NE2 3.47Å; R144-H147 PolarHBondContact NH2-NE2 2.84Å; R144-H147 VanDerWaalsContact O-CB 3.29Å; R144-H147 WeakPolarHBondContact O-CB 3.34Å; R144-H147 PolarHBondContact O-N 2.99Å; A145-H147 VanDerWaalsContact C-N 3.27Å; A145-H147 PolarHBondContact O-N 3.34Å; H147-V150 HydrophobicContact CB-CG2 4.34Å | ||
| 148 | R | 96.6 | Very high | 93.8 | Very high | 95 Ų | 95 | 39.4 Ų | 39.4 | 36% | 0.358 | 20% | 0.198 | S | C | . | . | trans | -118.4 | -27.4 | -177 | -62.1 | -179.6 | 69.1 | -165.7 | 1.7 | 112.7 | I113 K118 K119 V120 D131 E146 | I113-R148 HydrophobicContact CD1-CB 3.89Å; K118-R148 PolarHBondContact O-NE 3.08Å; K118-R148 PolarHBondContact O-NH2 3.21Å; K119-R148 CarbonylContact C-O 3.57Å; K119-R148 VanDerWaalsContact CA-O 3.28Å; K119-R148 WeakPolarHBondContact CA-O 3.35Å; K119-R148 WeakPolarHBondContact CB-O 3.08Å; V120-R148 PolarHBondContact N-O 3.25Å; D131-R148 PolarHBondContact OD2-N 3.07Å; E146-R148 PolarHBondContact O-N 3.37Å | ||
| 149 | I | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 103.3 | -176.2 | -50 | 170.5 | 0 | 0 | 0 | 109 | R106 E110 I113 F122 L130 D131 | R106-I149 HydrophobicContact CG-CD1 4.02Å; E110-I149 HydrophobicContact CG-CD1 3.91Å; E110-I149 WeakPolarHBondContact OE1-CD1 3.36Å; I113-I149 HydrophobicContact CD1-CD1 4.01Å; I113-I149 HydrophobicContact CD1-CG1 3.73Å; F122-I149 HydrophobicContact CD2-CG2 4.32Å; F122-I149 HydrophobicContact CE2-CG2 3.59Å; F122-I149 HydrophobicContact CZ-CG2 4.48Å; L130-I149 HydrophobicContact CD2-CG2 3.74Å; D131-I149 WeakPolarHBondContact CB-O 3.36Å; D131-I149 PolarHBondContact N-O 2.81Å; D131-I149 PolarHBondContact OD2-N 3.25Å |
| 150 | V | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 154.3 | -171.9 | 178.4 | 0 | 0 | 0 | 0 | 109.7 | V120 L121 F122 A132 V134 L143 H147 M333 | V120-V150 PolarHBondContact O-N 2.68Å; L121-V150 CarbonylContact C-O 3.6Å; L121-V150 WeakPolarHBondContact CA-O 3.35Å; L121-V150 HydrophobicContact CD1-CB 4.19Å; L121-V150 HydrophobicContact CD1-CG1 3.95Å; F122-V150 PolarHBondContact N-O 3.13Å; A132-V150 HydrophobicContact CB-CG1 4.3Å; A132-V150 HydrophobicContact CB-CG2 4.29Å; A132-V150 WeakPolarHBondContact O-CA 3.2Å; V134-V150 HydrophobicContact CB-CG1 4.35Å; V134-V150 HydrophobicContact CG2-CG1 3.67Å; L143-V150 HydrophobicContact CD2-CG1 4.25Å; L143-V150 HydrophobicContact CD2-CG2 3.89Å; H147-V150 HydrophobicContact CB-CG2 4.34Å; V150-M333 HydrophobicContact CB-CE 3.66Å; V150-M333 HydrophobicContact CB-SD 3.62Å; V150-M333 HydrophobicContact CG1-SD 3.96Å; V150-M333 HydrophobicContact CG2-CE 3.58Å; V150-M333 HydrophobicContact CG2-CG 4.38Å; V150-M333 HydrophobicContact CG2-SD 3.93Å |
| 151 | S | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 146.6 | 169 | 49.7 | 0 | 0 | 0 | 0 | 111.5 | F122 H124 A132 T133 V134 A153 | F122-S151 WeakPolarHBondContact O-CA 3.19Å; H124-S151 VanDerWaalsContact O-CB 3.26Å; H124-S151 WeakPolarHBondContact O-CB 3.13Å; A132-S151 PolarHBondContact O-N 3.1Å; T133-S151 CarbonylContact C-O 3.57Å; T133-S151 VanDerWaalsContact CA-O 3.27Å; T133-S151 WeakPolarHBondContact CA-O 3.35Å; T133-S151 WeakPolarHBondContact CB-OG 3.17Å; T133-S151 WeakPolarHBondContact CG2-OG 3.33Å; T133-S151 PolarHBondContact OG1-OG 3.33Å; V134-S151 PolarHBondContact N-O 2.84Å; S151-A153 VanDerWaalsContact C-N 3.3Å; S151-A153 PolarHBondContact O-N 3.25Å |
| 152 | N | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -93.4 | 25.9 | -178.4 | -151.5 | 37.8 | 0 | 0 | 0 | 113.7 | L121 F122 V134 N158 F322 R325 M326 T329 | L121-N152 HydrophobicContact CD1-CB 3.92Å; L121-N152 HydrophobicContact CG-CB 4.4Å; F122-N152 PolarHBondContact O-N 3.28Å; V134-N152 CarbonylContact O-C 3.53Å; N152-N158 PolarHBondContact O-ND2 3.22Å; N152-F322 HydrophobicContact CB-CE2 4.46Å; N152-F322 HydrophobicContact CB-CZ 4.23Å; N152-F322 WeakPolarHBondContact O-CE2 3.42Å; N152-R325 PolarHBondContact ND2-O 2.75Å; N152-M326 HydrophobicContact CB-SD 3.46Å; N152-M326 WeakPolarHBondContact CB-SD 3.49Å; N152-M326 PolarHBondContact ND2-N 3.36Å; N152-M326 PolarHBondContact ND2-SD 2.97Å; N152-M326 VanDerWaalsContact ND2-SD 3.39Å; N152-T329 VanDerWaalsContact OD1-CB 3.28Å; N152-T329 WeakPolarHBondContact OD1-CB 3.48Å; N152-T329 PolarHBondContact OD1-OG1 3.32Å | ||
| 153 | A | 95 | Very high | 95.1 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 2% | 0.017 | 13% | 0.125 | C | C | . | . | trans | 51.4 | -152.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H124 P125 T133 V135 S151 T157 F222 | H124-A153 CarbonylContact C-O 3.06Å; H124-A153 WeakPolarHBondContact CA-O 3.36Å; P125-A153 WeakPolarHBondContact CD-O 3.46Å; T133-A153 HydrophobicContact CG2-CB 3.78Å; V135-A153 HydrophobicContact CG2-CB 4.03Å; S151-A153 VanDerWaalsContact C-N 3.3Å; S151-A153 PolarHBondContact O-N 3.25Å; A153-T157 HydrophobicContact CB-CG2 3.83Å; A153-F222 HydrophobicContact CB-CE2 4.48Å; A153-F222 HydrophobicContact CB-CZ 4.27Å | ||
| 154 | S | 94.4 | Very high | 95.4 | Very high | 26 Ų | 26 | 24.3 Ų | 24.3 | 18% | 0.182 | 12% | 0.122 | C | C | . | . | trans | -109.5 | 167.2 | 173 | 71.2 | 0 | 0 | 0 | 0 | 111.6 | T156 T157 N158 | S154-T156 PolarHBondContact O-N 2.96Å; S154-T156 PolarHBondContact OG-OG1 2.6Å; S154-T156 VanDerWaalsContact OG-OG1 3.1Å; S154-T157 PolarHBondContact O-N 2.84Å; S154-T157 WeakPolarHBondContact OG-CB 3.43Å; S154-T157 PolarHBondContact OG-N 2.75Å; S154-T157 VanDerWaalsContact OG-N 3.1Å; S154-T157 PolarHBondContact OG-OG1 3.35Å; S154-N158 PolarHBondContact O-N 3.23Å; S154-N158 PolarHBondContact O-ND2 2.93Å | ||
| 155 | C | 94.4 | Very high | 95.7 | Very high | 24 Ų | 24 | 20.5 Ų | 20.5 | 16% | 0.162 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -56.7 | -45.9 | 172.9 | 54.6 | 0 | 0 | 0 | 0 | 112.5 | T157 N158 C159 N318 F322 | C155-T157 VanDerWaalsContact C-N 3.35Å; C155-T157 PolarHBondContact O-N 3.08Å; C155-N158 PolarHBondContact O-N 2.95Å; C155-C159 PolarHBondContact O-N 3.4Å; C155-N318 VanDerWaalsContact CB-O 3.32Å; C155-N318 WeakPolarHBondContact CB-O 3.45Å; C155-F322 HydrophobicContact CB-CB 4Å; C155-F322 HydrophobicContact CB-CD2 4.1Å; C155-F322 HydrophobicContact CB-CG 4.16Å |
| 156 | T | 95.2 | Very high | 96.2 | Very high | 16 Ų | 16 | 18.2 Ų | 18.2 | 10% | 0.098 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.9 | -33.6 | 178.5 | 52.9 | 0 | 0 | 0 | 0 | 113.1 | S154 C159 I160 T180 T243 I245 | S154-T156 PolarHBondContact O-N 2.96Å; S154-T156 PolarHBondContact OG-OG1 2.6Å; S154-T156 VanDerWaalsContact OG-OG1 3.1Å; T156-C159 PolarHBondContact O-N 3.44Å; T156-I160 PolarHBondContact O-N 3.37Å; T156-I160 VanDerWaalsContact O-N 3.08Å; T156-T180 HydrophobicContact CG2-CG2 3.78Å; T156-T243 HydrophobicContact CG2-CG2 4.35Å; T156-I245 HydrophobicContact CG2-CD1 4.29Å |
| 157 | T | 95.5 | Very high | 96.6 | Very high | 6 Ų | 6 | 12.2 Ų | 12.2 | 4% | 0.037 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -69.7 | -43.6 | 172.8 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | V135 A153 S154 C155 C159 I160 I161 F222 | V135-T157 HydrophobicContact CG2-CG2 3.94Å; A153-T157 HydrophobicContact CB-CG2 3.83Å; S154-T157 PolarHBondContact O-N 2.84Å; S154-T157 WeakPolarHBondContact OG-CB 3.43Å; S154-T157 PolarHBondContact OG-N 2.75Å; S154-T157 VanDerWaalsContact OG-N 3.1Å; S154-T157 PolarHBondContact OG-OG1 3.35Å; C155-T157 VanDerWaalsContact C-N 3.35Å; C155-T157 PolarHBondContact O-N 3.08Å; T157-C159 PolarHBondContact O-N 2.88Å; T157-I160 PolarHBondContact O-N 3.33Å; T157-I161 HydrophobicContact CG2-CD1 4.28Å; T157-I161 HydrophobicContact CG2-CG1 3.51Å; T157-I161 VanDerWaalsContact O-CB 3.31Å; T157-I161 WeakPolarHBondContact O-CB 3.25Å; T157-I161 WeakPolarHBondContact O-CG1 3.3Å; T157-I161 PolarHBondContact O-N 3.46Å; T157-I161 VanDerWaalsContact O-N 3.1Å; T157-F222 HydrophobicContact CG2-CD2 4.18Å; T157-F222 HydrophobicContact CG2-CE2 3.65Å; T157-F222 HydrophobicContact CG2-CZ 4.49Å |
| 158 | N | 96.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 13.1 Ų | 13.1 | 2% | 0.016 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.5 | -31.5 | 174.7 | -82.7 | -91.9 | 0 | 0 | 0 | 112.4 | N152 S154 C155 P162 | N152-N158 PolarHBondContact O-ND2 3.22Å; S154-N158 PolarHBondContact O-N 3.23Å; S154-N158 PolarHBondContact O-ND2 2.93Å; C155-N158 PolarHBondContact O-N 2.95Å; N158-P162 WeakPolarHBondContact O-CD 3.42Å; N158-P162 WeakPolarHBondContact O-CG 3.41Å |
| 159 | C | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -69.2 | -54.9 | 174.4 | 175.6 | 0 | 0 | 0 | 0 | 112.4 | C155 T156 T157 I245 S294 A295 V314 C316 | C155-C159 PolarHBondContact O-N 3.4Å; T156-C159 PolarHBondContact O-N 3.44Å; T157-C159 PolarHBondContact O-N 2.88Å; C159-I245 HydrophobicContact CB-CD1 4.09Å; C159-S294 WeakPolarHBondContact CA-O 3.2Å; C159-S294 WeakPolarHBondContact CB-O 3.49Å; C159-A295 WeakPolarHBondContact O-CB 3.42Å; C159-V314 VanDerWaalsContact SG-CG1 3.55Å; C159-C316 HydrophobicContact CB-CB 3.7Å |
| 160 | I | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -87.6 | -28.4 | -164.6 | -153.5 | 57.3 | 0 | 0 | 0 | 114.7 | T156 T157 V163 I164 L215 I245 L247 V314 | T156-I160 PolarHBondContact O-N 3.37Å; T156-I160 VanDerWaalsContact O-N 3.08Å; T157-I160 PolarHBondContact O-N 3.33Å; I160-V163 HydrophobicContact CD1-CB 4.44Å; I160-V163 PolarHBondContact O-N 3.41Å; I160-I164 HydrophobicContact CG1-CD1 3.97Å; I160-I164 HydrophobicContact CG1-CG1 4.2Å; I160-I164 HydrophobicContact CG2-CD1 4.12Å; I160-I164 WeakPolarHBondContact O-CG1 3.3Å; I160-I164 PolarHBondContact O-N 3.42Å; I160-L215 HydrophobicContact CG2-CD1 4.01Å; I160-L215 HydrophobicContact CG2-CD2 4.43Å; I160-I245 HydrophobicContact CB-CD1 4.31Å; I160-I245 HydrophobicContact CD1-CB 4.42Å; I160-I245 HydrophobicContact CD1-CG2 3.78Å; I160-I245 HydrophobicContact CG1-CG2 4.14Å; I160-L247 HydrophobicContact CD1-CB 4Å; I160-L247 HydrophobicContact CD1-CD2 3.86Å; I160-L247 HydrophobicContact CD1-CG 4.37Å; I160-L247 HydrophobicContact CG1-CD1 4.46Å; I160-L247 HydrophobicContact CG1-CD2 4.32Å; I160-V314 HydrophobicContact CD1-CG2 4.17Å |
| 161 | I | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.9 | -43.3 | -176.3 | -65.6 | -64.1 | 0 | 0 | 0 | 112.3 | V135 V138 T157 V163 I164 K165 I219 F222 F223 | V135-I161 HydrophobicContact CB-CG2 4.41Å; V135-I161 HydrophobicContact CG1-CB 4.27Å; V135-I161 HydrophobicContact CG1-CG2 4.25Å; V135-I161 HydrophobicContact CG2-CB 4.4Å; V135-I161 HydrophobicContact CG2-CG1 4.44Å; V135-I161 HydrophobicContact CG2-CG2 4.43Å; V138-I161 HydrophobicContact CB-CG2 4.31Å; V138-I161 HydrophobicContact CG1-CG2 3.82Å; V138-I161 HydrophobicContact CG2-CG2 3.99Å; T157-I161 HydrophobicContact CG2-CD1 4.28Å; T157-I161 HydrophobicContact CG2-CG1 3.51Å; T157-I161 VanDerWaalsContact O-CB 3.31Å; T157-I161 WeakPolarHBondContact O-CB 3.25Å; T157-I161 WeakPolarHBondContact O-CG1 3.3Å; T157-I161 PolarHBondContact O-N 3.46Å; T157-I161 VanDerWaalsContact O-N 3.1Å; I161-V163 VanDerWaalsContact C-N 3.33Å; I161-V163 PolarHBondContact O-N 2.97Å; I161-I164 PolarHBondContact O-N 3.12Å; I161-K165 WeakPolarHBondContact O-CB 3.15Å; I161-K165 PolarHBondContact O-N 3.44Å; I161-I219 HydrophobicContact CD1-CB 4.31Å; I161-I219 HydrophobicContact CD1-CG1 3.9Å; I161-F222 HydrophobicContact CD1-CB 4.33Å; I161-F222 HydrophobicContact CD1-CD2 4Å; I161-F222 HydrophobicContact CD1-CG 4.46Å; I161-F222 HydrophobicContact CG1-CD2 4.09Å; I161-F222 HydrophobicContact CG2-CB 4.26Å; I161-F222 HydrophobicContact CG2-CG 4.25Å; I161-F223 HydrophobicContact CB-CE2 4.44Å; I161-F223 HydrophobicContact CD1-CD2 4.22Å; I161-F223 HydrophobicContact CD1-CE2 3.77Å; I161-F223 HydrophobicContact CG2-CE2 3.73Å; I161-F223 HydrophobicContact CG2-CZ 3.76Å |
| 162 | P | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.3 | -43.8 | 172.9 | -28.3 | 36.9 | 0 | 0 | 0 | 113.4 | V135 V138 N158 K165 L166 F272 V276 | V135-P162 HydrophobicContact CG1-CG 4.26Å; V138-P162 HydrophobicContact CG2-CB 4.4Å; V138-P162 HydrophobicContact CG2-CG 3.96Å; N158-P162 WeakPolarHBondContact O-CD 3.42Å; N158-P162 WeakPolarHBondContact O-CG 3.41Å; P162-K165 PolarHBondContact O-N 2.98Å; P162-L166 WeakPolarHBondContact O-CG 3.14Å; P162-L166 PolarHBondContact O-N 3.01Å; P162-F272 HydrophobicContact CB-CD1 3.94Å; P162-F272 HydrophobicContact CB-CE1 3.67Å; P162-F272 HydrophobicContact CB-CZ 4.27Å; P162-F272 HydrophobicContact CG-CE1 4.26Å; P162-V276 HydrophobicContact CB-CG2 3.62Å; P162-V276 HydrophobicContact CG-CG2 4.41Å |
| 163 | V | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.8 | -44.1 | -179.2 | -177.6 | 0 | 0 | 0 | 0 | 111 | I160 I161 K165 L166 L167 L247 L264 A295 V297 V314 | I160-V163 HydrophobicContact CD1-CB 4.44Å; I160-V163 PolarHBondContact O-N 3.41Å; I161-V163 VanDerWaalsContact C-N 3.33Å; I161-V163 PolarHBondContact O-N 2.97Å; V163-K165 VanDerWaalsContact C-N 3.33Å; V163-K165 PolarHBondContact O-N 3.01Å; V163-L166 PolarHBondContact O-N 3.29Å; V163-L167 HydrophobicContact CG1-CD1 4.2Å; V163-L167 WeakPolarHBondContact O-CG 3.5Å; V163-L167 PolarHBondContact O-N 3.01Å; V163-L167 VanDerWaalsContact O-N 3.08Å; V163-L247 HydrophobicContact CG1-CD2 4.02Å; V163-L264 HydrophobicContact CG1-CD2 4.22Å; V163-A295 HydrophobicContact CG2-CB 4.28Å; V163-V297 HydrophobicContact CG2-CG2 4.15Å; V163-V314 HydrophobicContact CG1-CG2 4.42Å; V163-V314 HydrophobicContact CG2-CG1 4.26Å; V163-V314 HydrophobicContact CG2-CG2 4.29Å |
| 164 | I | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 175.4 | -71.2 | 171.7 | 0 | 0 | 0 | 110.6 | I160 I161 L166 L167 D168 I173 I219 F223 F226 F230 L247 | I160-I164 HydrophobicContact CG1-CD1 3.97Å; I160-I164 HydrophobicContact CG1-CG1 4.2Å; I160-I164 HydrophobicContact CG2-CD1 4.12Å; I160-I164 WeakPolarHBondContact O-CG1 3.3Å; I160-I164 PolarHBondContact O-N 3.42Å; I161-I164 PolarHBondContact O-N 3.12Å; I164-L166 PolarHBondContact O-N 3.35Å; I164-L167 PolarHBondContact O-N 2.87Å; I164-D168 WeakPolarHBondContact O-CB 3.28Å; I164-D168 PolarHBondContact O-N 3.08Å; I164-I173 HydrophobicContact CG2-CD1 4.05Å; I164-I219 HydrophobicContact CD1-CD1 3.68Å; I164-I219 HydrophobicContact CD1-CG1 3.91Å; I164-I219 HydrophobicContact CD1-CG2 4.24Å; I164-F223 HydrophobicContact CB-CE2 4.18Å; I164-F223 HydrophobicContact CG2-CD2 3.94Å; I164-F223 HydrophobicContact CG2-CE2 3.69Å; I164-F223 HydrophobicContact CG2-CZ 4.42Å; I164-F226 HydrophobicContact CG2-CD2 4.37Å; I164-F226 HydrophobicContact CG2-CE2 3.68Å; I164-F230 HydrophobicContact CD1-CE1 3.97Å; I164-F230 HydrophobicContact CD1-CZ 4.14Å; I164-F230 HydrophobicContact CG1-CZ 4.44Å; I164-F230 HydrophobicContact CG2-CZ 4.45Å; I164-L247 HydrophobicContact CD1-CD1 4.37Å; I164-L247 HydrophobicContact CG1-CD1 4.2Å; I164-L247 HydrophobicContact CG1-CD2 4Å |
| 165 | K | 96.8 | Very high | 97.1 | Very high | 56 Ų | 56 | 22.3 Ų | 22.3 | 24% | 0.243 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.1 | -50.2 | 176.9 | 177.9 | 162.5 | 170.5 | 49.4 | 0 | 111.6 | V138 I161 P162 V163 L167 D168 D169 F223 F272 | V138-K165 HydrophobicContact CG1-CD 3.92Å; I161-K165 WeakPolarHBondContact O-CB 3.15Å; I161-K165 PolarHBondContact O-N 3.44Å; P162-K165 PolarHBondContact O-N 2.98Å; V163-K165 VanDerWaalsContact C-N 3.33Å; V163-K165 PolarHBondContact O-N 3.01Å; K165-L167 VanDerWaalsContact C-N 3.34Å; K165-L167 PolarHBondContact O-N 3.29Å; K165-D168 PolarHBondContact O-N 2.96Å; K165-D169 WeakPolarHBondContact CG-OD2 3.42Å; K165-D169 IonicContact NZ-OD1 3.9Å; K165-D169 IonicContact NZ-OD2 3.84Å; K165-D169 PolarHBondContact NZ-OD2 2.94Å; K165-D169 WeakPolarHBondContact O-CB 3.34Å; K165-D169 PolarHBondContact O-N 3.5Å; K165-F223 HydrophobicContact CB-CE1 4.23Å; K165-F223 HydrophobicContact CB-CZ 3.84Å; K165-F272 HydrophobicContact CD-CZ 4.4Å |
| 166 | L | 96.6 | Very high | 97.3 | Very high | 18 Ų | 18 | 21.7 Ų | 21.7 | 9% | 0.094 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.9 | -45 | -179.4 | -73.6 | 166.3 | 0 | 0 | 0 | 112 | P162 V163 I164 A170 L264 A267 F272 | P162-L166 WeakPolarHBondContact O-CG 3.14Å; P162-L166 PolarHBondContact O-N 3.01Å; V163-L166 PolarHBondContact O-N 3.29Å; I164-L166 PolarHBondContact O-N 3.35Å; L166-A170 WeakPolarHBondContact O-CB 3.28Å; L166-A170 PolarHBondContact O-N 3.02Å; L166-L264 HydrophobicContact CB-CD2 4.25Å; L166-L264 HydrophobicContact CD1-CD2 3.94Å; L166-A267 HydrophobicContact CD1-CB 3.44Å; L166-A267 VanDerWaalsContact CD1-CB 3.44Å; L166-A267 HydrophobicContact CD2-CB 3.51Å; L166-A267 HydrophobicContact CG-CB 4.13Å; L166-F272 HydrophobicContact CD1-CD2 3.98Å; L166-F272 HydrophobicContact CD1-CE2 4.14Å; L166-F272 HydrophobicContact CD2-CD2 3.91Å; L166-F272 HydrophobicContact CD2-CE2 3.69Å; L166-F272 HydrophobicContact CG-CD2 4.12Å; L166-F272 HydrophobicContact CG-CE2 3.81Å |
| 167 | L | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.1 | -39.8 | 179.7 | -66 | 177.5 | 0 | 0 | 0 | 112.5 | V163 I164 K165 Y171 I173 L247 V249 V260 L263 I310 | V163-L167 HydrophobicContact CG1-CD1 4.2Å; V163-L167 WeakPolarHBondContact O-CG 3.5Å; V163-L167 PolarHBondContact O-N 3.01Å; V163-L167 VanDerWaalsContact O-N 3.08Å; I164-L167 PolarHBondContact O-N 2.87Å; K165-L167 VanDerWaalsContact C-N 3.34Å; K165-L167 PolarHBondContact O-N 3.29Å; L167-Y171 HydrophobicContact CD2-CD2 4.41Å; L167-Y171 HydrophobicContact CD2-CE2 4.48Å; L167-Y171 PolarHBondContact O-N 2.96Å; L167-I173 HydrophobicContact CB-CD1 4.03Å; L167-I173 HydrophobicContact CB-CG1 4.49Å; L167-L247 HydrophobicContact CD1-CD2 4.05Å; L167-V249 HydrophobicContact CD1-CG2 4.03Å; L167-V260 HydrophobicContact CD2-CG1 3.93Å; L167-L263 HydrophobicContact CD2-CD2 4.38Å; L167-I310 HydrophobicContact CD2-CD1 4.16Å |
| 168 | D | 97.8 | Very high | 97.5 | Very high | 30 Ų | 30 | 23.6 Ų | 23.6 | 16% | 0.16 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.1 | -49.3 | 177.4 | -168 | 40.8 | 0 | 0 | 0 | 111.7 | I164 K165 A170 Y171 G172 I173 Q225 F226 | I164-D168 WeakPolarHBondContact O-CB 3.28Å; I164-D168 PolarHBondContact O-N 3.08Å; K165-D168 PolarHBondContact O-N 2.96Å; D168-A170 PolarHBondContact O-N 2.67Å; D168-Y171 PolarHBondContact O-N 3.43Å; D168-G172 VanDerWaalsContact O-CA 3.23Å; D168-G172 WeakPolarHBondContact O-CA 3.22Å; D168-G172 PolarHBondContact O-N 3.16Å; D168-G172 WeakPolarHBondContact OD1-CA 3.28Å; D168-I173 HydrophobicContact CB-CB 4.48Å; D168-I173 HydrophobicContact CB-CD1 4.01Å; D168-I173 HydrophobicContact CB-CG1 4.17Å; D168-I173 PolarHBondContact OD1-N 3.06Å; D168-Q225 PolarHBondContact OD2-NE2 3.4Å; D168-Q225 VanDerWaalsContact OD2-NE2 3.15Å; D168-F226 HydrophobicContact CB-CZ 4.01Å; D168-F226 VanDerWaalsContact CG-CZ 3.48Å; D168-F226 WeakPolarHBondContact OD2-CZ 3.5Å |
| 169 | D | 96.4 | Very high | 97.6 | Very high | 101 Ų | 101 | 25.2 Ų | 25.2 | 54% | 0.54 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -58.3 | -39.3 | 179.8 | -71.2 | -17 | 0 | 0 | 0 | 111.1 | K165 | K165-D169 WeakPolarHBondContact CG-OD2 3.42Å; K165-D169 IonicContact NZ-OD1 3.9Å; K165-D169 IonicContact NZ-OD2 3.84Å; K165-D169 PolarHBondContact NZ-OD2 2.94Å; K165-D169 WeakPolarHBondContact O-CB 3.34Å; K165-D169 PolarHBondContact O-N 3.5Å |
| 170 | A | 97.3 | Very high | 97.6 | Very high | 26 Ų | 26 | 25.4 Ų | 25.4 | 22% | 0.215 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -77.6 | -50.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L166 D168 K253 L263 | L166-A170 WeakPolarHBondContact O-CB 3.28Å; L166-A170 PolarHBondContact O-N 3.02Å; D168-A170 PolarHBondContact O-N 2.67Å; A170-K253 WeakPolarHBondContact O-CD 3.24Å; A170-K253 PolarHBondContact O-NZ 2.99Å; A170-L263 HydrophobicContact CB-CD1 4.32Å; A170-L263 HydrophobicContact CB-CD2 3.52Å |
| 171 | Y | 98.3 | Very high | 97.7 | Very high | 32 Ų | 32 | 28.1 Ų | 28.1 | 13% | 0.125 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -119.8 | -11.9 | -164.1 | -52.9 | -64.7 | 0 | 0 | 0 | 114.7 | L167 D168 K252 K253 V255 E259 V260 L263 I310 | L167-Y171 HydrophobicContact CD2-CD2 4.41Å; L167-Y171 HydrophobicContact CD2-CE2 4.48Å; L167-Y171 PolarHBondContact O-N 2.96Å; D168-Y171 PolarHBondContact O-N 3.43Å; Y171-K252 PolarHBondContact O-N 3.33Å; Y171-K253 HydrophobicContact CD1-CB 4.3Å; Y171-K253 PolarHBondContact O-N 3.41Å; Y171-V255 HydrophobicContact CD1-CB 4.05Å; Y171-V255 HydrophobicContact CD1-CG2 3.99Å; Y171-V255 HydrophobicContact CD2-CG2 4.44Å; Y171-V255 HydrophobicContact CE1-CB 3.97Å; Y171-V255 HydrophobicContact CE1-CG2 3.43Å; Y171-V255 VanDerWaalsContact CE1-CG2 3.43Å; Y171-V255 HydrophobicContact CE2-CG2 3.93Å; Y171-V255 HydrophobicContact CG-CG2 4.47Å; Y171-E259 PolarHBondContact OH-O 3.15Å; Y171-V260 HydrophobicContact CE2-CG2 4.31Å; Y171-L263 HydrophobicContact CD2-CD2 4.4Å; Y171-L263 HydrophobicContact CE2-CD2 3.63Å; Y171-I310 HydrophobicContact CD2-CD1 4.16Å |
| 172 | G | 97.9 | Very high | 97.6 | Very high | 16 Ų | 16 | 28.8 Ų | 28.8 | 17% | 0.165 | 16% | 0.163 | C | C | . | . | trans | 67.8 | 100 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | D168 V251 K252 | D168-G172 VanDerWaalsContact O-CA 3.23Å; D168-G172 WeakPolarHBondContact O-CA 3.22Å; D168-G172 PolarHBondContact O-N 3.16Å; D168-G172 WeakPolarHBondContact OD1-CA 3.28Å; G172-V251 CarbonylContact O-C 3.49Å; G172-V251 VanDerWaalsContact O-CA 3.31Å; G172-V251 WeakPolarHBondContact O-CA 3.34Å; G172-K252 WeakPolarHBondContact O-CG 3.4Å; G172-K252 PolarHBondContact O-N 3.3Å | ||
| 173 | I | 98.5 | Very high | 97.5 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 4% | 0.036 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 137.1 | 178.8 | -66.5 | 170.4 | 0 | 0 | 0 | 109.8 | I164 L167 D168 F226 F230 V249 V251 | I164-I173 HydrophobicContact CG2-CD1 4.05Å; L167-I173 HydrophobicContact CB-CD1 4.03Å; L167-I173 HydrophobicContact CB-CG1 4.49Å; D168-I173 HydrophobicContact CB-CB 4.48Å; D168-I173 HydrophobicContact CB-CD1 4.01Å; D168-I173 HydrophobicContact CB-CG1 4.17Å; D168-I173 PolarHBondContact OD1-N 3.06Å; I173-F226 HydrophobicContact CB-CE1 3.92Å; I173-F226 HydrophobicContact CB-CZ 3.84Å; I173-F226 HydrophobicContact CD1-CZ 4.36Å; I173-F226 HydrophobicContact CG2-CE1 4.02Å; I173-F226 HydrophobicContact CG2-CZ 4.17Å; I173-F230 HydrophobicContact CG2-CE2 3.94Å; I173-F230 HydrophobicContact CG2-CZ 4.22Å; I173-V249 HydrophobicContact CD1-CB 4.28Å; I173-V249 HydrophobicContact CD1-CG1 4.08Å; I173-V249 HydrophobicContact CD1-CG2 4.33Å; I173-V249 HydrophobicContact CG1-CB 4.23Å; I173-V249 HydrophobicContact CG1-CG2 4.29Å; I173-V249 HydrophobicContact CG2-CB 4.2Å; I173-V249 HydrophobicContact CG2-CG1 4.37Å; I173-V251 HydrophobicContact CG1-CG1 4.02Å |
| 174 | E | 97.7 | Very high | 97.3 | Very high | 89 Ų | 89 | 30.3 Ų | 30.3 | 42% | 0.416 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -43.3 | 172.8 | -61.6 | -167.4 | 123.2 | 0 | 0 | 112.1 | R229 T250 K252 | E174-R229 WeakPolarHBondContact O-CD 3.33Å; E174-T250 PolarHBondContact N-O 2.95Å; E174-K252 HydrophobicContact CG-CD 4.32Å; E174-K252 HydrophobicContact CG-CG 3.46Å; E174-K252 VanDerWaalsContact CG-CG 3.46Å |
| 175 | S | 98 | Very high | 96.8 | Very high | 44 Ų | 44 | 33.6 Ų | 33.6 | 31% | 0.308 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 163.1 | 178.7 | 61.2 | 0 | 0 | 0 | 0 | 110.5 | R229 V249 T250 | S175-R229 CarbonylContact C-O 3.31Å; S175-R229 VanDerWaalsContact CA-O 3.26Å; S175-R229 WeakPolarHBondContact CA-O 3.24Å; S175-R229 WeakPolarHBondContact CB-O 3.44Å; S175-V249 WeakPolarHBondContact O-CA 3.46Å; S175-T250 PolarHBondContact O-N 2.83Å |
| 176 | G | 97.9 | Very high | 96.2 | Very high | 12 Ų | 12 | 39.4 Ų | 39.4 | 12% | 0.124 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 165.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R229 F230 E231 S248 | G176-R229 PolarHBondContact N-O 2.97Å; G176-F230 WeakPolarHBondContact O-CA 3.35Å; G176-E231 PolarHBondContact O-N 2.92Å; G176-S248 CarbonylContact C-O 3.5Å; G176-S248 WeakPolarHBondContact CA-O 3.2Å |
| 177 | T | 98 | Very high | 95.7 | Very high | 62 Ų | 62 | 42.1 Ų | 42.1 | 38% | 0.38 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 145.7 | 170.2 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | E231 S248 | T177-E231 CarbonylContact C-O 3.54Å; T177-E231 VanDerWaalsContact CA-O 3.23Å; T177-E231 WeakPolarHBondContact CA-O 3.33Å; T177-E231 PolarHBondContact OG1-O 2.93Å; T177-S248 PolarHBondContact N-O 3.42Å; T177-S248 PolarHBondContact O-N 3.08Å |
| 178 | V | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 125.6 | -178.9 | -170.9 | 0 | 0 | 0 | 0 | 110.3 | L215 I219 F230 E231 A232 I233 I245 D246 L247 | V178-L215 HydrophobicContact CB-CD2 4.24Å; V178-L215 HydrophobicContact CG1-CD2 3.64Å; V178-I219 HydrophobicContact CG2-CD1 4.01Å; V178-F230 HydrophobicContact CG2-CD1 4.03Å; V178-F230 HydrophobicContact CG2-CE1 4.11Å; V178-E231 PolarHBondContact N-O 3.33Å; V178-A232 HydrophobicContact CB-CB 4.28Å; V178-A232 CarbonylContact O-C 3.59Å; V178-A232 VanDerWaalsContact O-CA 3.25Å; V178-A232 WeakPolarHBondContact O-CA 3.28Å; V178-I233 PolarHBondContact O-N 3.33Å; V178-I245 HydrophobicContact CG1-CG2 3.32Å; V178-D246 WeakPolarHBondContact CA-O 3.37Å; V178-L247 HydrophobicContact CG2-CD1 3.73Å |
| 179 | T | 98.1 | Very high | 95 | Very high | 37 Ų | 37 | 43.9 Ų | 43.9 | 23% | 0.227 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 114.2 | 168.4 | -61.3 | 0 | 0 | 0 | 0 | 109.2 | I181 I233 D246 | T179-I181 HydrophobicContact CG2-CG1 4.35Å; T179-I233 WeakPolarHBondContact CA-O 3.36Å; T179-I233 HydrophobicContact CG2-CD1 4.06Å; T179-I233 HydrophobicContact CG2-CG1 3.94Å; T179-I233 WeakPolarHBondContact OG1-CG1 3.35Å; T179-D246 PolarHBondContact N-O 3.33Å; T179-D246 PolarHBondContact O-N 2.65Å |
| 180 | T | 97.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 117.4 | 176.1 | -50.9 | 0 | 0 | 0 | 0 | 109.9 | T156 H182 I233 A234 V235 T243 I245 | T156-T180 HydrophobicContact CG2-CG2 3.78Å; T180-H182 HydrophobicContact CG2-CB 4.01Å; T180-I233 PolarHBondContact N-O 2.97Å; T180-A234 CarbonylContact O-C 3.59Å; T180-A234 WeakPolarHBondContact O-CA 3.43Å; T180-V235 PolarHBondContact O-N 2.99Å; T180-T243 HydrophobicContact CG2-CG2 3.65Å; T180-I245 HydrophobicContact CG2-CG1 4.36Å |
| 181 | I | 97.7 | Very high | 94.8 | Very high | 58 Ų | 58 | 49.7 Ų | 49.7 | 30% | 0.297 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 87.1 | 174.7 | -54.5 | 159.2 | 0 | 0 | 0 | 107 | T179 V235 V237 T243 A244 | T179-I181 HydrophobicContact CG2-CG1 4.35Å; I181-V235 HydrophobicContact CB-CG2 4.34Å; I181-V235 HydrophobicContact CG1-CG2 4.17Å; I181-V235 HydrophobicContact CG2-CG2 4.27Å; I181-V237 HydrophobicContact CG2-CB 4.42Å; I181-V237 HydrophobicContact CG2-CG1 3.53Å; I181-V237 HydrophobicContact CG2-CG2 4Å; I181-T243 WeakPolarHBondContact O-CA 3.42Å; I181-A244 WeakPolarHBondContact CA-O 3.28Å; I181-A244 HydrophobicContact CB-CB 4.3Å; I181-A244 WeakPolarHBondContact CB-O 3.28Å; I181-A244 HydrophobicContact CD1-CB 4.38Å; I181-A244 PolarHBondContact N-O 2.99Å; I181-A244 PolarHBondContact O-N 3.3Å |
| 182 | H | 96.5 | Very high | 94.7 | Very high | 14 Ų | 14 | 52.5 Ų | 52.5 | 7% | 0.065 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 140.4 | -167.1 | -165.9 | -68.1 | 0 | 0 | 0 | 111.6 | T180 V235 R236 V237 T243 | T180-H182 HydrophobicContact CG2-CB 4.01Å; H182-V235 PolarHBondContact N-O 3.25Å; H182-R236 VanDerWaalsContact CB-NH1 3.32Å; H182-R236 CarbonylContact O-C 3.51Å; H182-R236 WeakPolarHBondContact O-CA 3.48Å; H182-V237 WeakPolarHBondContact O-CG2 3.45Å; H182-V237 PolarHBondContact O-N 3.18Å; H182-T243 VanDerWaalsContact CA-OG1 3.32Å; H182-T243 WeakPolarHBondContact CA-OG1 3.43Å; H182-T243 HydrophobicContact CB-CG2 4.41Å; H182-T243 PolarHBondContact CD2-OG1 2.94Å; H182-T243 VanDerWaalsContact CG-OG1 3.29Å |
| 183 | S | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 163 | 173.5 | -32.4 | 0 | 0 | 0 | 0 | 112.1 | R236 T239 N241 V242 N318 | S183-R236 VanDerWaalsContact O-CD 3.27Å; S183-R236 WeakPolarHBondContact O-CD 3.1Å; S183-T239 WeakPolarHBondContact CB-O 3.44Å; S183-T239 WeakPolarHBondContact CB-OG1 3.24Å; S183-T239 PolarHBondContact OG-OG1 3.3Å; S183-N241 VanDerWaalsContact OG-CA 3.31Å; S183-N241 WeakPolarHBondContact OG-CA 3.44Å; S183-N241 PolarHBondContact OG-O 3.19Å; S183-V242 PolarHBondContact OG-N 2.94Å; S183-V242 PolarHBondContact OG-O 2.5Å; S183-N318 PolarHBondContact OG-ND2 3.44Å |
| 184 | A | 92.6 | Very high | 94.4 | Very high | 32 Ų | 32 | 64 Ų | 64 | 26% | 0.264 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 142.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A204 V237 T239 | A184-A204 HydrophobicContact CB-CB 4.09Å; A184-V237 PolarHBondContact N-O 2.89Å; A184-T239 PolarHBondContact N-O 3.27Å |
| 185 | M | 88.2 | Confident | 94.2 | Very high | 69 Ų | 69 | 62.2 Ų | 62.2 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | trans | -109.8 | 162.1 | 177.6 | -60.8 | -166.7 | -40.3 | 0 | 0 | 111.2 | D187 Q188 R236 | M185-D187 VanDerWaalsContact C-N 3.25Å; M185-D187 VanDerWaalsContact CB-OD1 3.25Å; M185-D187 WeakPolarHBondContact CB-OD1 3.49Å; M185-D187 WeakPolarHBondContact CE-OD1 3.26Å; M185-D187 PolarHBondContact O-N 3.12Å; M185-Q188 WeakPolarHBondContact O-CB 3.32Å; M185-Q188 PolarHBondContact O-N 3.39Å; M185-R236 VanDerWaalsContact CE-NH2 3.34Å; M185-R236 PolarHBondContact SD-NH2 2.86Å | ||
| 186 | H | 84.6 | Confident | 94 | Very high | 177 Ų | 177 | 66.1 Ų | 66.1 | 82% | 0.819 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -26.6 | -177.2 | 174.7 | 57.4 | 0 | 0 | 0 | 114.1 | Q188 | H186-Q188 PolarHBondContact O-N 2.97Š|
| 187 | D | 84.6 | Confident | 93.7 | Very high | 75 Ų | 75 | 67.4 Ų | 67.4 | 40% | 0.401 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 8.5 | 178.5 | 70 | -26 | 0 | 0 | 0 | 113.2 | M185 R200 | M185-D187 VanDerWaalsContact C-N 3.25Å; M185-D187 VanDerWaalsContact CB-OD1 3.25Å; M185-D187 WeakPolarHBondContact CB-OD1 3.49Å; M185-D187 WeakPolarHBondContact CE-OD1 3.26Å; M185-D187 PolarHBondContact O-N 3.12Å; D187-R200 PolarHBondContact O-NH2 3.25Å; D187-R200 IonicContact OD1-NH2 3.67Å; D187-R200 IonicContact OD2-CZ 3.53Å; D187-R200 IonicContact OD2-NH1 3.6Å; D187-R200 IonicContact OD2-NH2 2.68Å; D187-R200 PolarHBondContact OD2-NH2 2.98Å |
| 188 | Q | 89.6 | Confident | 93.5 | Very high | 14 Ų | 14 | 71 Ų | 71 | 7% | 0.065 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -104.3 | 150.7 | 175.3 | -57.8 | -177.7 | -96.1 | 0 | 0 | 111.2 | M185 H186 A204 R236 | M185-Q188 WeakPolarHBondContact O-CB 3.32Å; M185-Q188 PolarHBondContact O-N 3.39Å; H186-Q188 PolarHBondContact O-N 2.97Å; Q188-A204 HydrophobicContact CB-CB 3.85Å; Q188-R236 VanDerWaalsContact NE2-CB 3.3Å |
| 189 | Q | 92.9 | Very high | 93.3 | Very high | 54 Ų | 54 | 77.7 Ų | 77.7 | 25% | 0.252 | 40% | 0.397 | S | S | . | . | trans | -75.7 | 133 | -169.9 | -53.8 | -59.3 | -26.6 | 0 | 0 | 111.4 | I191 A193 R200 A203 A204 | Q189-I191 VanDerWaalsContact CB-O 3.23Å; Q189-I191 WeakPolarHBondContact CB-O 3.15Å; Q189-A193 HydrophobicContact CB-CB 4.21Å; Q189-A193 HydrophobicContact CG-CB 3.87Å; Q189-R200 WeakPolarHBondContact CG-O 3.44Å; Q189-A203 WeakPolarHBondContact O-CA 3.45Å; Q189-A204 WeakPolarHBondContact O-CB 3.26Å; Q189-A204 PolarHBondContact O-N 2.83Å | ||
| 190 | V | 93 | Very high | 93.1 | Very high | 118 Ų | 118 | 78.2 Ų | 78.2 | 72% | 0.715 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -68.7 | -41.8 | 175.8 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 191 | I | 95.4 | Very high | 93 | Very high | 130 Ų | 130 | 79.6 Ų | 79.6 | 67% | 0.667 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -130.5 | 161.7 | 172.5 | 56.1 | 171.6 | 0 | 0 | 0 | 108 | Q189 A193 | Q189-I191 VanDerWaalsContact CB-O 3.23Å; Q189-I191 WeakPolarHBondContact CB-O 3.15Å; I191-A193 PolarHBondContact O-N 2.96Å |
| 192 | D | 96.1 | Very high | 92.9 | Very high | 91 Ų | 91 | 83 Ų | 83 | 49% | 0.487 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -52.8 | 127.5 | -175 | -69.3 | 12.5 | 0 | 0 | 0 | 112.4 | T201 R202 A203 | D192-T201 CarbonylContact C-O 3.5Å; D192-T201 WeakPolarHBondContact CA-O 3.41Å; D192-R202 WeakPolarHBondContact OD1-CA 3.45Å; D192-R202 IonicContact OD1-NE 3.7Å; D192-R202 IonicContact OD2-CZ 3.74Å; D192-R202 IonicContact OD2-NE 2.91Å; D192-R202 PolarHBondContact OD2-NE 3.39Å; D192-R202 IonicContact OD2-NH2 3.79Å; D192-A203 PolarHBondContact OD1-N 3.38Å |
| 193 | A | 95.9 | Very high | 92.9 | Very high | 37 Ų | 37 | 83 Ų | 83 | 31% | 0.306 | 41% | 0.414 | S | S | . | . | trans | -155.6 | 165 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q189 I191 T201 | Q189-A193 HydrophobicContact CB-CB 4.21Å; Q189-A193 HydrophobicContact CG-CB 3.87Å; I191-A193 PolarHBondContact O-N 2.96Å; A193-T201 PolarHBondContact N-O 3.17Å; A193-T201 WeakPolarHBondContact O-CA 3.29Å; A193-T201 WeakPolarHBondContact O-CB 3.23Å; A193-T201 WeakPolarHBondContact O-CG2 3.29Å | ||
| 194 | Y | 95.1 | Very high | 92.9 | Very high | 229 Ų | 229 | 83.5 Ų | 83.5 | 90% | 0.898 | 42% | 0.418 | S | S | * | . | trans | -68.2 | 134.4 | -174.2 | -68.8 | -68.9 | 0 | 0 | 0 | 113.3 | ||||
| 195 | H | 93.3 | Very high | 92.9 | Very high | 51 Ų | 51 | 85.2 Ų | 85.2 | 24% | 0.236 | 43% | 0.428 | C | S | . | . | trans | -155.3 | 143.7 | 173.8 | -170.2 | -87.1 | 0 | 0 | 0 | 109.6 | D197 R200 T201 | H195-D197 WeakPolarHBondContact ND1-CB 3.27Å; H195-D197 PolarHBondContact ND1-N 3.45Å; H195-D197 PolarHBondContact ND1-O 3.18Å; H195-D197 PolarHBondContact O-N 3.38Å; H195-R200 HydrophobicContact CB-CB 4.32Å; H195-T201 HydrophobicContact CB-CG2 4.08Å | ||
| 196 | P | 93 | Very high | 93.3 | Very high | 126 Ų | 126 | 89.7 Ų | 89.7 | 82% | 0.818 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -59.5 | -41.2 | 178.8 | -26.2 | 34.9 | 0 | 0 | 0 | 113.8 | L198 | P196-L198 PolarHBondContact O-N 2.95Š|
| 197 | D | 91.8 | Very high | 93.8 | Very high | 39 Ų | 39 | 82.5 Ų | 82.5 | 21% | 0.209 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -75.9 | 109.8 | 165.4 | 176 | 1.9 | 0 | 0 | 0 | 109.5 | H195 R199 R200 | H195-D197 WeakPolarHBondContact ND1-CB 3.27Å; H195-D197 PolarHBondContact ND1-N 3.45Å; H195-D197 PolarHBondContact ND1-O 3.18Å; H195-D197 PolarHBondContact O-N 3.38Å; D197-R199 PolarHBondContact O-N 2.91Å; D197-R199 WeakPolarHBondContact OD1-CB 3.38Å; D197-R199 PolarHBondContact OD1-N 3.24Å; D197-R200 HydrophobicContact CB-CB 4.39Å; D197-R200 HydrophobicContact CB-CG 4.33Å; D197-R200 PolarHBondContact O-N 3.46Å; D197-R200 WeakPolarHBondContact OD2-CG 3.45Å |
| 198 | L | 94.6 | Very high | 94.4 | Very high | 137 Ų | 137 | 84.6 Ų | 84.6 | 72% | 0.717 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -58.7 | -28.2 | -178.4 | -64 | -179.5 | 0 | 0 | 0 | 113.3 | P196 R200 T201 | P196-L198 PolarHBondContact O-N 2.95Å; L198-R200 VanDerWaalsContact C-N 3.3Å; L198-R200 PolarHBondContact O-N 3.06Å; L198-T201 WeakPolarHBondContact O-CB 3.5Å; L198-T201 WeakPolarHBondContact O-CG2 3.47Å; L198-T201 PolarHBondContact O-N 3.49Å; L198-T201 PolarHBondContact O-OG1 3.12Å |
| 199 | R | 94.2 | Very high | 94.7 | Very high | 141 Ų | 141 | 84.2 Ų | 84.2 | 53% | 0.532 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -67.8 | -36.1 | 177.8 | -60.6 | -172.5 | -176.4 | 103.2 | -2.4 | 111.2 | D197 T201 I209 P210 | D197-R199 PolarHBondContact O-N 2.91Å; D197-R199 WeakPolarHBondContact OD1-CB 3.38Å; D197-R199 PolarHBondContact OD1-N 3.24Å; R199-T201 PolarHBondContact O-N 2.82Å; R199-I209 HydrophobicContact CB-CG2 3.93Å; R199-I209 WeakPolarHBondContact O-CG2 3.39Å; R199-P210 WeakPolarHBondContact CD-O 3.48Å |
| 200 | R | 93.1 | Very high | 94.9 | Very high | 48 Ų | 48 | 84.4 Ų | 84.4 | 18% | 0.181 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -77.8 | 1.6 | 179.2 | -68 | 179.9 | 58.4 | 168 | 3.5 | 113.9 | D187 Q189 H195 D197 L198 I209 V211 | D187-R200 PolarHBondContact O-NH2 3.25Å; D187-R200 IonicContact OD1-NH2 3.67Å; D187-R200 IonicContact OD2-CZ 3.53Å; D187-R200 IonicContact OD2-NH1 3.6Å; D187-R200 IonicContact OD2-NH2 2.68Å; D187-R200 PolarHBondContact OD2-NH2 2.98Å; Q189-R200 WeakPolarHBondContact CG-O 3.44Å; H195-R200 HydrophobicContact CB-CB 4.32Å; D197-R200 HydrophobicContact CB-CB 4.39Å; D197-R200 HydrophobicContact CB-CG 4.33Å; D197-R200 PolarHBondContact O-N 3.46Å; D197-R200 WeakPolarHBondContact OD2-CG 3.45Å; L198-R200 VanDerWaalsContact C-N 3.3Å; L198-R200 PolarHBondContact O-N 3.06Å; R200-I209 HydrophobicContact CG-CG2 4.26Å; R200-V211 HydrophobicContact CG-CG1 4.11Å |
| 201 | T | 95.2 | Very high | 94.9 | Very high | 31 Ų | 31 | 79.7 Ų | 79.7 | 19% | 0.19 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -76.2 | -13.4 | 173 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | D192 A193 H195 L198 R199 | D192-T201 CarbonylContact C-O 3.5Å; D192-T201 WeakPolarHBondContact CA-O 3.41Å; A193-T201 PolarHBondContact N-O 3.17Å; A193-T201 WeakPolarHBondContact O-CA 3.29Å; A193-T201 WeakPolarHBondContact O-CB 3.23Å; A193-T201 WeakPolarHBondContact O-CG2 3.29Å; H195-T201 HydrophobicContact CB-CG2 4.08Å; L198-T201 WeakPolarHBondContact O-CB 3.5Å; L198-T201 WeakPolarHBondContact O-CG2 3.47Å; L198-T201 PolarHBondContact O-N 3.49Å; L198-T201 PolarHBondContact O-OG1 3.12Å; R199-T201 PolarHBondContact O-N 2.82Å |
| 202 | R | 95.9 | Very high | 94.7 | Very high | 131 Ų | 131 | 80.8 Ų | 80.8 | 49% | 0.494 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -90.7 | 150.4 | -174.9 | -53.1 | -54.5 | -61.8 | -77.9 | -4.8 | 112.1 | D192 A204 | D192-R202 WeakPolarHBondContact OD1-CA 3.45Å; D192-R202 IonicContact OD1-NE 3.7Å; D192-R202 IonicContact OD2-CZ 3.74Å; D192-R202 IonicContact OD2-NE 2.91Å; D192-R202 PolarHBondContact OD2-NE 3.39Å; D192-R202 IonicContact OD2-NH2 3.79Å; R202-A204 PolarHBondContact O-N 2.78Å |
| 203 | A | 96.1 | Very high | 94.4 | Very high | 13 Ų | 13 | 78.8 Ų | 78.8 | 11% | 0.107 | 40% | 0.402 | C | S | . | . | trans | -55.9 | 120 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q189 D192 S205 Q206 S207 | Q189-A203 WeakPolarHBondContact O-CA 3.45Å; D192-A203 PolarHBondContact OD1-N 3.38Å; A203-S205 VanDerWaalsContact C-N 3.29Å; A203-S205 PolarHBondContact O-N 3.17Å; A203-Q206 PolarHBondContact O-N 3.09Å; A203-S207 VanDerWaalsContact O-CB 3.27Å; A203-S207 WeakPolarHBondContact O-CB 3.31Å; A203-S207 PolarHBondContact O-N 3.14Å; A203-S207 PolarHBondContact O-OG 3.28Å | ||
| 204 | A | 94.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 85.9 Ų | 85.9 | 8% | 0.083 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -65.2 | -30.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | A184 Q188 Q189 R202 Q206 P238 | A184-A204 HydrophobicContact CB-CB 4.09Å; Q188-A204 HydrophobicContact CB-CB 3.85Å; Q189-A204 WeakPolarHBondContact O-CB 3.26Å; Q189-A204 PolarHBondContact O-N 2.83Å; R202-A204 PolarHBondContact O-N 2.78Å; A204-Q206 PolarHBondContact O-N 3.15Å; A204-P238 WeakPolarHBondContact O-CB 3.31Å |
| 205 | S | 94.1 | Very high | 94.1 | Very high | 68 Ų | 68 | 75.1 Ų | 75.1 | 48% | 0.476 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -75.6 | -8.6 | -179.9 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | A203 P238 | A203-S205 VanDerWaalsContact C-N 3.29Å; A203-S205 PolarHBondContact O-N 3.17Å; S205-P238 WeakPolarHBondContact O-CB 3.45Å |
| 206 | Q | 95.7 | Very high | 94.1 | Very high | 163 Ų | 163 | 73.7 Ų | 73.7 | 76% | 0.762 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -130.6 | 10.7 | -174.9 | -64.6 | -64.4 | -47.8 | 0 | 0 | 112.7 | A203 A204 | A203-Q206 PolarHBondContact O-N 3.09Å; A204-Q206 PolarHBondContact O-N 3.15Å |
| 207 | S | 95.8 | Very high | 93.9 | Very high | 26 Ų | 26 | 70.9 Ų | 70.9 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | trans | -138.1 | 146.9 | -170.7 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | A203 | A203-S207 VanDerWaalsContact O-CB 3.27Å; A203-S207 WeakPolarHBondContact O-CB 3.31Å; A203-S207 PolarHBondContact O-N 3.14Å; A203-S207 PolarHBondContact O-OG 3.28Å | ||
| 208 | I | 97 | Very high | 93.9 | Very high | 120 Ų | 120 | 69.7 Ų | 69.7 | 62% | 0.615 | 37% | 0.366 | S | S | * | . | trans | -98.7 | 113.2 | 160.7 | -58.7 | 176.1 | 0 | 0 | 0 | 107 | V235 R236 V237 | I208-V235 HydrophobicContact CG2-CB 4.04Å; I208-V235 HydrophobicContact CG2-CG1 4.5Å; I208-V235 HydrophobicContact CG2-CG2 4.36Å; I208-R236 CarbonylContact C-O 3.56Å; I208-R236 VanDerWaalsContact CA-O 3.23Å; I208-R236 WeakPolarHBondContact CA-O 3.43Å; I208-V237 HydrophobicContact CG1-CG1 4.36Å; I208-V237 HydrophobicContact CG2-CG1 4.28Å | ||
| 209 | I | 96 | Very high | 93.9 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 108.3 | -166.9 | -54.8 | 174.2 | 0 | 0 | 0 | 109.5 | R199 R200 V211 V235 R236 | R199-I209 HydrophobicContact CB-CG2 3.93Å; R199-I209 WeakPolarHBondContact O-CG2 3.39Å; R200-I209 HydrophobicContact CG-CG2 4.26Å; I209-V211 HydrophobicContact CG2-CG1 4.11Å; I209-V211 PolarHBondContact O-N 3.23Å; I209-V235 CarbonylContact O-C 3.6Å; I209-V235 WeakPolarHBondContact O-CA 3.44Å; I209-R236 HydrophobicContact CB-CB 4.25Å; I209-R236 PolarHBondContact N-O 3.43Å; I209-R236 PolarHBondContact O-N 3.49Å |
| 210 | P | 96.1 | Very high | 93.8 | Very high | 59 Ų | 59 | 58 Ų | 58 | 38% | 0.383 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 135.1 | 168.9 | -21.4 | 32.3 | 0 | 0 | 0 | 111 | R199 V235 | R199-P210 WeakPolarHBondContact CD-O 3.48Å; P210-V235 HydrophobicContact CG-CG1 4.5Å |
| 211 | V | 93.2 | Very high | 93.8 | Very high | 19 Ų | 19 | 59.8 Ų | 59.8 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 155.2 | 179.7 | -63.6 | 0 | 0 | 0 | 0 | 110.9 | R200 I209 A234 R236 | R200-V211 HydrophobicContact CG-CG1 4.11Å; I209-V211 HydrophobicContact CG2-CG1 4.11Å; I209-V211 PolarHBondContact O-N 3.23Å; V211-A234 HydrophobicContact CG2-CB 3.93Å; V211-A234 PolarHBondContact N-O 3.29Å; V211-R236 HydrophobicContact CG1-CG 4.01Å; V211-R236 HydrophobicContact CG2-CG 3.98Å |
| 212 | D | 90.9 | Very high | 93.7 | Very high | 152 Ų | 152 | 59.8 Ų | 59.8 | 81% | 0.813 | 32% | 0.32 | S | S | * | . | trans | -67.6 | 147.2 | 174.2 | -63 | -31.7 | 0 | 0 | 0 | 111.2 | ||||
| 213 | T | 91.4 | Very high | 93.6 | Very high | 49 Ų | 49 | 54.3 Ų | 54.3 | 30% | 0.301 | 30% | 0.3 | S | S | . | . | trans | -135.7 | 147.7 | 178.4 | -178 | 0 | 0 | 0 | 0 | 111.1 | L215 A232 A234 | T213-L215 WeakPolarHBondContact OG1-CB 3.17Å; T213-L215 PolarHBondContact OG1-N 2.86Å; T213-A232 HydrophobicContact CG2-CB 3.92Å; T213-A232 WeakPolarHBondContact CG2-O 3.29Å; T213-A234 HydrophobicContact CG2-CB 4.08Å | ||
| 214 | K | 90.8 | Very high | 93.5 | Very high | 186 Ų | 186 | 58.1 Ų | 58.1 | 81% | 0.809 | 32% | 0.323 | S | S | * | . | trans | -103.7 | 13.7 | 174.1 | -63.2 | -174.8 | 179.4 | 179.9 | 0 | 112.4 | A216 A217 G218 | K214-A216 PolarHBondContact O-N 3.1Å; K214-A217 PolarHBondContact O-N 2.68Å; K214-G218 PolarHBondContact O-N 3.35Å | ||
| 215 | L | 93.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62 | -40.2 | -173.8 | -175.7 | 59.2 | 0 | 0 | 0 | 112.6 | I160 V178 T213 A217 G218 I219 A232 | I160-L215 HydrophobicContact CG2-CD1 4.01Å; I160-L215 HydrophobicContact CG2-CD2 4.43Å; V178-L215 HydrophobicContact CB-CD2 4.24Å; V178-L215 HydrophobicContact CG1-CD2 3.64Å; T213-L215 WeakPolarHBondContact OG1-CB 3.17Å; T213-L215 PolarHBondContact OG1-N 2.86Å; L215-A217 PolarHBondContact O-N 3.17Å; L215-G218 CarbonylContact O-C 3.49Å; L215-G218 WeakPolarHBondContact O-CA 3.48Å; L215-G218 PolarHBondContact O-N 3.2Å; L215-I219 HydrophobicContact CG-CD1 4.38Å; L215-I219 WeakPolarHBondContact O-CG1 3.39Å; L215-I219 PolarHBondContact O-N 2.83Å; L215-A232 HydrophobicContact CB-CB 4.07Å |
| 216 | A | 92.8 | Very high | 93.5 | Very high | 20 Ų | 20 | 59.6 Ų | 59.6 | 17% | 0.165 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.3 | -46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | K214 G218 I219 T220 A232 | K214-A216 PolarHBondContact O-N 3.1Å; A216-G218 VanDerWaalsContact C-N 3.27Å; A216-G218 PolarHBondContact O-N 2.94Å; A216-I219 WeakPolarHBondContact O-CB 3.3Å; A216-I219 PolarHBondContact O-N 2.73Å; A216-I219 VanDerWaalsContact O-N 3.13Å; A216-T220 PolarHBondContact O-N 2.9Å; A216-T220 PolarHBondContact O-OG1 3.33Å; A216-A232 HydrophobicContact CB-CB 4.02Å |
| 217 | A | 89.4 | Confident | 93.4 | Very high | 67 Ų | 67 | 56.1 Ų | 56.1 | 55% | 0.554 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.2 | -35.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K214 L215 T220 R221 | K214-A217 PolarHBondContact O-N 2.68Å; L215-A217 PolarHBondContact O-N 3.17Å; A217-T220 PolarHBondContact O-N 3.36Å; A217-R221 PolarHBondContact O-N 2.91Å; A217-R221 VanDerWaalsContact O-N 3.07Å |
| 218 | G | 90.7 | Very high | 93.3 | Very high | 15 Ų | 15 | 61.9 Ų | 61.9 | 16% | 0.155 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | K214 L215 A216 T220 R221 F222 | K214-G218 PolarHBondContact O-N 3.35Å; L215-G218 CarbonylContact O-C 3.49Å; L215-G218 WeakPolarHBondContact O-CA 3.48Å; L215-G218 PolarHBondContact O-N 3.2Å; A216-G218 VanDerWaalsContact C-N 3.27Å; A216-G218 PolarHBondContact O-N 2.94Å; G218-T220 PolarHBondContact O-N 2.97Å; G218-R221 WeakPolarHBondContact O-CB 3.33Å; G218-R221 PolarHBondContact O-N 3.05Å; G218-F222 WeakPolarHBondContact O-CD2 3.37Å |
| 219 | I | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.9 | -49 | 177 | -65.9 | 166.5 | 0 | 0 | 0 | 110.6 | I161 I164 V178 L215 A216 R221 F222 F223 F226 F230 | I161-I219 HydrophobicContact CD1-CB 4.31Å; I161-I219 HydrophobicContact CD1-CG1 3.9Å; I164-I219 HydrophobicContact CD1-CD1 3.68Å; I164-I219 HydrophobicContact CD1-CG1 3.91Å; I164-I219 HydrophobicContact CD1-CG2 4.24Å; V178-I219 HydrophobicContact CG2-CD1 4.01Å; L215-I219 HydrophobicContact CG-CD1 4.38Å; L215-I219 WeakPolarHBondContact O-CG1 3.39Å; L215-I219 PolarHBondContact O-N 2.83Å; A216-I219 WeakPolarHBondContact O-CB 3.3Å; A216-I219 PolarHBondContact O-N 2.73Å; A216-I219 VanDerWaalsContact O-N 3.13Å; I219-R221 PolarHBondContact O-N 2.85Å; I219-F222 PolarHBondContact O-N 2.79Å; I219-F222 VanDerWaalsContact O-N 3.12Å; I219-F223 HydrophobicContact CG2-CD2 4.15Å; I219-F223 PolarHBondContact O-N 3.24Å; I219-F226 HydrophobicContact CG2-CB 4.43Å; I219-F226 HydrophobicContact CG2-CD2 3.96Å; I219-F230 HydrophobicContact CD1-CB 4.41Å; I219-F230 HydrophobicContact CD1-CD1 3.64Å; I219-F230 HydrophobicContact CD1-CE1 4.11Å; I219-F230 HydrophobicContact CD1-CG 4.15Å; I219-F230 HydrophobicContact CG2-CB 4.46Å; I219-F230 HydrophobicContact CG2-CD1 4.44Å; I219-F230 HydrophobicContact CG2-CD2 4.1Å; I219-F230 HydrophobicContact CG2-CE2 4.41Å; I219-F230 HydrophobicContact CG2-CG 4.09Å |
| 220 | T | 93.4 | Very high | 93.3 | Very high | 32 Ų | 32 | 63 Ų | 63 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60 | -32.9 | 178.2 | -55 | 0 | 0 | 0 | 0 | 112.9 | A216 A217 G218 F222 F223 P224 N227 | A216-T220 PolarHBondContact O-N 2.9Å; A216-T220 PolarHBondContact O-OG1 3.33Å; A217-T220 PolarHBondContact O-N 3.36Å; G218-T220 PolarHBondContact O-N 2.97Å; T220-F222 VanDerWaalsContact C-N 3.29Å; T220-F222 PolarHBondContact O-N 2.89Å; T220-F223 CarbonylContact O-C 3.59Å; T220-F223 VanDerWaalsContact O-C 3.31Å; T220-F223 PolarHBondContact O-N 2.99Å; T220-P224 WeakPolarHBondContact O-CA 3.47Å; T220-N227 HydrophobicContact CG2-CB 3.84Å |
| 221 | R | 91.7 | Very high | 93.4 | Very high | 86 Ų | 86 | 66.9 Ų | 66.9 | 33% | 0.325 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 177.1 | -171.7 | 177.6 | -170.9 | 155.5 | 6.7 | 112.5 | G126 S127 T133 A217 G218 I219 | G126-R221 PolarHBondContact O-NH1 3.25Å; G126-R221 VanDerWaalsContact O-NH1 3.15Å; S127-R221 PolarHBondContact O-NH2 3.45Å; T133-R221 PolarHBondContact OG1-NE 3.33Å; T133-R221 PolarHBondContact OG1-NH1 2.85Å; T133-R221 VanDerWaalsContact OG1-NH1 3.15Å; T133-R221 PolarHBondContact OG1-NH2 3.34Å; A217-R221 PolarHBondContact O-N 2.91Å; A217-R221 VanDerWaalsContact O-N 3.07Å; G218-R221 WeakPolarHBondContact O-CB 3.33Å; G218-R221 PolarHBondContact O-N 3.05Å; I219-R221 PolarHBondContact O-N 2.85Å |
| 222 | F | 93.1 | Very high | 93.5 | Very high | 30 Ų | 30 | 66.8 Ų | 66.8 | 13% | 0.132 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -91.8 | -28.8 | 179.7 | -66.7 | -81.4 | 0 | 0 | 0 | 112.9 | T133 V135 N139 A153 T157 I161 G218 I219 T220 | T133-F222 HydrophobicContact CG2-CE2 4.5Å; T133-F222 HydrophobicContact CG2-CZ 3.8Å; T133-F222 WeakPolarHBondContact O-CE1 3.45Å; V135-F222 HydrophobicContact CB-CE1 4.18Å; V135-F222 HydrophobicContact CB-CZ 4.33Å; V135-F222 HydrophobicContact CG2-CE1 3.82Å; V135-F222 HydrophobicContact CG2-CE2 3.91Å; V135-F222 HydrophobicContact CG2-CZ 3.48Å; V135-F222 VanDerWaalsContact CG2-CZ 3.48Å; N139-F222 WeakPolarHBondContact ND2-CE1 3.27Å; A153-F222 HydrophobicContact CB-CE2 4.48Å; A153-F222 HydrophobicContact CB-CZ 4.27Å; T157-F222 HydrophobicContact CG2-CD2 4.18Å; T157-F222 HydrophobicContact CG2-CE2 3.65Å; T157-F222 HydrophobicContact CG2-CZ 4.49Å; I161-F222 HydrophobicContact CD1-CB 4.33Å; I161-F222 HydrophobicContact CD1-CD2 4Å; I161-F222 HydrophobicContact CD1-CG 4.46Å; I161-F222 HydrophobicContact CG1-CD2 4.09Å; I161-F222 HydrophobicContact CG2-CB 4.26Å; I161-F222 HydrophobicContact CG2-CG 4.25Å; G218-F222 WeakPolarHBondContact O-CD2 3.37Å; I219-F222 PolarHBondContact O-N 2.79Å; I219-F222 VanDerWaalsContact O-N 3.12Å; T220-F222 VanDerWaalsContact C-N 3.29Å; T220-F222 PolarHBondContact O-N 2.89Å |
| 223 | F | 94.9 | Very high | 93.8 | Very high | 17 Ų | 17 | 64.4 Ų | 64.4 | 8% | 0.075 | 33% | 0.333 | C | S | . | . | trans | -127.7 | 81.7 | -179.5 | -53.7 | -62.6 | 0 | 0 | 0 | 109.7 | I161 I164 K165 I219 T220 Q225 F226 | I161-F223 HydrophobicContact CB-CE2 4.44Å; I161-F223 HydrophobicContact CD1-CD2 4.22Å; I161-F223 HydrophobicContact CD1-CE2 3.77Å; I161-F223 HydrophobicContact CG2-CE2 3.73Å; I161-F223 HydrophobicContact CG2-CZ 3.76Å; I164-F223 HydrophobicContact CB-CE2 4.18Å; I164-F223 HydrophobicContact CG2-CD2 3.94Å; I164-F223 HydrophobicContact CG2-CE2 3.69Å; I164-F223 HydrophobicContact CG2-CZ 4.42Å; K165-F223 HydrophobicContact CB-CE1 4.23Å; K165-F223 HydrophobicContact CB-CZ 3.84Å; I219-F223 HydrophobicContact CG2-CD2 4.15Å; I219-F223 PolarHBondContact O-N 3.24Å; T220-F223 CarbonylContact O-C 3.59Å; T220-F223 VanDerWaalsContact O-C 3.31Å; T220-F223 PolarHBondContact O-N 2.99Å; F223-Q225 VanDerWaalsContact CA-OE1 3.27Å; F223-Q225 PolarHBondContact O-N 2.82Å; F223-F226 HydrophobicContact CB-CB 4.39Å; F223-F226 HydrophobicContact CB-CD2 3.25Å; F223-F226 HydrophobicContact CB-CE2 3.61Å; F223-F226 HydrophobicContact CB-CG 4.01Å; F223-F226 HydrophobicContact CD1-CE2 4.48Å; F223-F226 AromaticContact CD2-CD2 3.94Å; F223-F226 HydrophobicContact CD2-CD2 3.94Å; F223-F226 AromaticContact CD2-CE2 3.93Å; F223-F226 HydrophobicContact CD2-CE2 3.93Å; F223-F226 AromaticContact CG-CD2 3.82Å; F223-F226 HydrophobicContact CG-CD2 3.82Å; F223-F226 AromaticContact CG-CE2 3.75Å; F223-F226 HydrophobicContact CG-CE2 3.75Å; F223-F226 WeakPolarHBondContact O-CB 3.37Å; F223-F226 PolarHBondContact O-N 3.45Å | ||
| 224 | P | 93.6 | Very high | 94 | Very high | 92 Ų | 92 | 62.3 Ų | 62.3 | 60% | 0.597 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -57.1 | -25.6 | -178.7 | -25.8 | 35 | 0 | 0 | 0 | 113.5 | T220 F226 N227 | T220-P224 WeakPolarHBondContact O-CA 3.47Å; P224-F226 PolarHBondContact O-N 3.45Å; P224-F226 VanDerWaalsContact O-N 3.16Å; P224-N227 WeakPolarHBondContact O-CB 3.27Å; P224-N227 PolarHBondContact O-N 3.24Å; P224-N227 VanDerWaalsContact O-N 3.16Å |
| 225 | Q | 94 | Very high | 94.3 | Very high | 105 Ų | 105 | 54.9 Ų | 54.9 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -62.4 | -17.3 | 174.4 | 73.1 | -86.4 | 25 | 0 | 0 | 113.7 | D168 F223 | D168-Q225 PolarHBondContact OD2-NE2 3.4Å; D168-Q225 VanDerWaalsContact OD2-NE2 3.15Å; F223-Q225 VanDerWaalsContact CA-OE1 3.27Å; F223-Q225 PolarHBondContact O-N 2.82Å |
| 226 | F | 95.5 | Very high | 94.4 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -96.3 | 11.9 | 178.2 | -60.6 | -29.5 | 0 | 0 | 0 | 114 | I164 D168 I173 I219 F223 P224 D228 R229 F230 | I164-F226 HydrophobicContact CG2-CD2 4.37Å; I164-F226 HydrophobicContact CG2-CE2 3.68Å; D168-F226 HydrophobicContact CB-CZ 4.01Å; D168-F226 VanDerWaalsContact CG-CZ 3.48Å; D168-F226 WeakPolarHBondContact OD2-CZ 3.5Å; I173-F226 HydrophobicContact CB-CE1 3.92Å; I173-F226 HydrophobicContact CB-CZ 3.84Å; I173-F226 HydrophobicContact CD1-CZ 4.36Å; I173-F226 HydrophobicContact CG2-CE1 4.02Å; I173-F226 HydrophobicContact CG2-CZ 4.17Å; I219-F226 HydrophobicContact CG2-CB 4.43Å; I219-F226 HydrophobicContact CG2-CD2 3.96Å; F223-F226 HydrophobicContact CB-CB 4.39Å; F223-F226 HydrophobicContact CB-CD2 3.25Å; F223-F226 HydrophobicContact CB-CE2 3.61Å; F223-F226 HydrophobicContact CB-CG 4.01Å; F223-F226 HydrophobicContact CD1-CE2 4.48Å; F223-F226 AromaticContact CD2-CD2 3.94Å; F223-F226 HydrophobicContact CD2-CD2 3.94Å; F223-F226 AromaticContact CD2-CE2 3.93Å; F223-F226 HydrophobicContact CD2-CE2 3.93Å; F223-F226 AromaticContact CG-CD2 3.82Å; F223-F226 HydrophobicContact CG-CD2 3.82Å; F223-F226 AromaticContact CG-CE2 3.75Å; F223-F226 HydrophobicContact CG-CE2 3.75Å; F223-F226 WeakPolarHBondContact O-CB 3.37Å; F223-F226 PolarHBondContact O-N 3.45Å; P224-F226 PolarHBondContact O-N 3.45Å; P224-F226 VanDerWaalsContact O-N 3.16Å; F226-D228 PolarHBondContact O-N 3.01Å; F226-R229 HydrophobicContact CB-CB 4.21Å; F226-R229 WeakPolarHBondContact O-CB 3.44Å; F226-R229 PolarHBondContact O-N 3.34Å; F226-F230 HydrophobicContact CB-CD2 3.9Å; F226-F230 HydrophobicContact CB-CE2 4.35Å; F226-F230 HydrophobicContact CD1-CE2 4.31Å; F226-F230 HydrophobicContact CD2-CD2 4.15Å; F226-F230 AromaticContact CD2-CE2 3.81Å; F226-F230 HydrophobicContact CD2-CE2 3.81Å; F226-F230 HydrophobicContact CE2-CE2 4.2Å; F226-F230 AromaticContact CG-CD2 3.98Å; F226-F230 HydrophobicContact CG-CD2 3.98Å; F226-F230 AromaticContact CG-CE2 3.91Å; F226-F230 HydrophobicContact CG-CE2 3.91Å |
| 227 | N | 93.8 | Very high | 94.6 | Very high | 91 Ų | 91 | 56.4 Ų | 56.4 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 125.5 | 170.1 | -171 | 71.4 | 0 | 0 | 0 | 110.3 | T220 P224 R229 | T220-N227 HydrophobicContact CG2-CB 3.84Å; P224-N227 WeakPolarHBondContact O-CB 3.27Å; P224-N227 PolarHBondContact O-N 3.24Å; P224-N227 VanDerWaalsContact O-N 3.16Å; N227-R229 PolarHBondContact O-N 2.92Å |
| 228 | D | 93.4 | Very high | 94.9 | Very high | 146 Ų | 146 | 56.5 Ų | 56.5 | 78% | 0.781 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 21.9 | -173.9 | -49.9 | -41.2 | 0 | 0 | 0 | 115.1 | F226 | F226-D228 PolarHBondContact O-N 3.01Š|
| 229 | R | 96.5 | Very high | 95.1 | Very high | 140 Ų | 140 | 58 Ų | 58 | 53% | 0.528 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -11.7 | 178.2 | -59.4 | -60 | -170.9 | 155.7 | -2.6 | 114.3 | E174 S175 G176 F226 N227 | E174-R229 WeakPolarHBondContact O-CD 3.33Å; S175-R229 CarbonylContact C-O 3.31Å; S175-R229 VanDerWaalsContact CA-O 3.26Å; S175-R229 WeakPolarHBondContact CA-O 3.24Å; S175-R229 WeakPolarHBondContact CB-O 3.44Å; G176-R229 PolarHBondContact N-O 2.97Å; F226-R229 HydrophobicContact CB-CB 4.21Å; F226-R229 WeakPolarHBondContact O-CB 3.44Å; F226-R229 PolarHBondContact O-N 3.34Å; N227-R229 PolarHBondContact O-N 2.92Å |
| 230 | F | 96.8 | Very high | 95 | Very high | 9 Ų | 9 | 62.8 Ų | 62.8 | 4% | 0.039 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 136 | 179.2 | -92.7 | -99.7 | 0 | 0 | 0 | 111.7 | I164 I173 G176 V178 I219 F226 L247 V249 | I164-F230 HydrophobicContact CD1-CE1 3.97Å; I164-F230 HydrophobicContact CD1-CZ 4.14Å; I164-F230 HydrophobicContact CG1-CZ 4.44Å; I164-F230 HydrophobicContact CG2-CZ 4.45Å; I173-F230 HydrophobicContact CG2-CE2 3.94Å; I173-F230 HydrophobicContact CG2-CZ 4.22Å; G176-F230 WeakPolarHBondContact O-CA 3.35Å; V178-F230 HydrophobicContact CG2-CD1 4.03Å; V178-F230 HydrophobicContact CG2-CE1 4.11Å; I219-F230 HydrophobicContact CD1-CB 4.41Å; I219-F230 HydrophobicContact CD1-CD1 3.64Å; I219-F230 HydrophobicContact CD1-CE1 4.11Å; I219-F230 HydrophobicContact CD1-CG 4.15Å; I219-F230 HydrophobicContact CG2-CB 4.46Å; I219-F230 HydrophobicContact CG2-CD1 4.44Å; I219-F230 HydrophobicContact CG2-CD2 4.1Å; I219-F230 HydrophobicContact CG2-CE2 4.41Å; I219-F230 HydrophobicContact CG2-CG 4.09Å; F226-F230 HydrophobicContact CB-CD2 3.9Å; F226-F230 HydrophobicContact CB-CE2 4.35Å; F226-F230 HydrophobicContact CD1-CE2 4.31Å; F226-F230 HydrophobicContact CD2-CD2 4.15Å; F226-F230 AromaticContact CD2-CE2 3.81Å; F226-F230 HydrophobicContact CD2-CE2 3.81Å; F226-F230 HydrophobicContact CE2-CE2 4.2Å; F226-F230 AromaticContact CG-CD2 3.98Å; F226-F230 HydrophobicContact CG-CD2 3.98Å; F226-F230 AromaticContact CG-CE2 3.91Å; F226-F230 HydrophobicContact CG-CE2 3.91Å; F230-L247 HydrophobicContact CE1-CD1 3.98Å; F230-V249 HydrophobicContact CE1-CG1 4.11Å; F230-V249 HydrophobicContact CZ-CG1 3.77Å |
| 231 | E | 96.3 | Very high | 95.1 | Very high | 140 Ų | 140 | 61.7 Ų | 61.7 | 65% | 0.654 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 142.9 | 170.2 | -75.2 | -64.8 | 166.2 | 0 | 0 | 110.1 | G176 T177 V178 | G176-E231 PolarHBondContact O-N 2.92Å; T177-E231 CarbonylContact C-O 3.54Å; T177-E231 VanDerWaalsContact CA-O 3.23Å; T177-E231 WeakPolarHBondContact CA-O 3.33Å; T177-E231 PolarHBondContact OG1-O 2.93Å; V178-E231 PolarHBondContact N-O 3.33Å |
| 232 | A | 96.6 | Very high | 95.4 | Very high | 17 Ų | 17 | 57.8 Ų | 57.8 | 14% | 0.14 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 137.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V178 T213 L215 A216 | V178-A232 HydrophobicContact CB-CB 4.28Å; V178-A232 CarbonylContact O-C 3.59Å; V178-A232 VanDerWaalsContact O-CA 3.25Å; V178-A232 WeakPolarHBondContact O-CA 3.28Å; T213-A232 HydrophobicContact CG2-CB 3.92Å; T213-A232 WeakPolarHBondContact CG2-O 3.29Å; L215-A232 HydrophobicContact CB-CB 4.07Å; A216-A232 HydrophobicContact CB-CB 4.02Å |
| 233 | I | 96.9 | Very high | 95.6 | Very high | 102 Ų | 102 | 56.3 Ų | 56.3 | 52% | 0.523 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 155.6 | 169.9 | 62.8 | 169 | 0 | 0 | 0 | 110 | V178 T179 T180 | V178-I233 PolarHBondContact O-N 3.33Å; T179-I233 WeakPolarHBondContact CA-O 3.36Å; T179-I233 HydrophobicContact CG2-CD1 4.06Å; T179-I233 HydrophobicContact CG2-CG1 3.94Å; T179-I233 WeakPolarHBondContact OG1-CG1 3.35Å; T180-I233 PolarHBondContact N-O 2.97Å |
| 234 | A | 96.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 142.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T180 V211 T213 | T180-A234 CarbonylContact O-C 3.59Å; T180-A234 WeakPolarHBondContact O-CA 3.43Å; V211-A234 HydrophobicContact CG2-CB 3.93Å; V211-A234 PolarHBondContact N-O 3.29Å; T213-A234 HydrophobicContact CG2-CB 4.08Å |
| 235 | V | 97 | Very high | 95.9 | Very high | 31 Ų | 31 | 51.5 Ų | 51.5 | 19% | 0.188 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.8 | 169.2 | -62.9 | 0 | 0 | 0 | 0 | 109 | T180 I181 H182 I208 I209 P210 V237 | T180-V235 PolarHBondContact O-N 2.99Å; I181-V235 HydrophobicContact CB-CG2 4.34Å; I181-V235 HydrophobicContact CG1-CG2 4.17Å; I181-V235 HydrophobicContact CG2-CG2 4.27Å; H182-V235 PolarHBondContact N-O 3.25Å; I208-V235 HydrophobicContact CG2-CB 4.04Å; I208-V235 HydrophobicContact CG2-CG1 4.5Å; I208-V235 HydrophobicContact CG2-CG2 4.36Å; I209-V235 CarbonylContact O-C 3.6Å; I209-V235 WeakPolarHBondContact O-CA 3.44Å; P210-V235 HydrophobicContact CG-CG1 4.5Å; V235-V237 HydrophobicContact CG2-CG1 4.44Å |
| 236 | R | 95.6 | Very high | 96.1 | Very high | 33 Ų | 33 | 48 Ų | 48 | 13% | 0.125 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 133.1 | 170.7 | -64.5 | -73.9 | -177 | -83.9 | 4.6 | 109 | H182 S183 M185 Q188 I208 I209 V211 | H182-R236 VanDerWaalsContact CB-NH1 3.32Å; H182-R236 CarbonylContact O-C 3.51Å; H182-R236 WeakPolarHBondContact O-CA 3.48Å; S183-R236 VanDerWaalsContact O-CD 3.27Å; S183-R236 WeakPolarHBondContact O-CD 3.1Å; M185-R236 VanDerWaalsContact CE-NH2 3.34Å; M185-R236 PolarHBondContact SD-NH2 2.86Å; Q188-R236 VanDerWaalsContact NE2-CB 3.3Å; I208-R236 CarbonylContact C-O 3.56Å; I208-R236 VanDerWaalsContact CA-O 3.23Å; I208-R236 WeakPolarHBondContact CA-O 3.43Å; I209-R236 HydrophobicContact CB-CB 4.25Å; I209-R236 PolarHBondContact N-O 3.43Å; I209-R236 PolarHBondContact O-N 3.49Å; V211-R236 HydrophobicContact CG1-CG 4.01Å; V211-R236 HydrophobicContact CG2-CG 3.98Å |
| 237 | V | 96.6 | Very high | 96.3 | Very high | 22 Ų | 22 | 47.9 Ų | 47.9 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 155.8 | -178.5 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | I181 H182 A184 I208 V235 T239 | I181-V237 HydrophobicContact CG2-CB 4.42Å; I181-V237 HydrophobicContact CG2-CG1 3.53Å; I181-V237 HydrophobicContact CG2-CG2 4Å; H182-V237 WeakPolarHBondContact O-CG2 3.45Å; H182-V237 PolarHBondContact O-N 3.18Å; A184-V237 PolarHBondContact N-O 2.89Å; I208-V237 HydrophobicContact CG1-CG1 4.36Å; I208-V237 HydrophobicContact CG2-CG1 4.28Å; V235-V237 HydrophobicContact CG2-CG1 4.44Å; V237-T239 HydrophobicContact CG2-CG2 4.36Å; V237-T239 PolarHBondContact O-N 2.86Å |
| 238 | P | 95.7 | Very high | 96.5 | Very high | 70 Ų | 70 | 44.4 Ų | 44.4 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -78.2 | 52.3 | -175.8 | 33.5 | -37.1 | 0 | 0 | 0 | 112.3 | A204 S205 | A204-P238 WeakPolarHBondContact O-CB 3.31Å; S205-P238 WeakPolarHBondContact O-CB 3.45Å |
| 239 | T | 95.2 | Very high | 96.7 | Very high | 46 Ų | 46 | 37.5 Ų | 37.5 | 28% | 0.282 | 19% | 0.193 | S | C | . | . | trans | -115.4 | 154.2 | 169.2 | 62.1 | 0 | 0 | 0 | 0 | 109.4 | S183 A184 V237 | S183-T239 WeakPolarHBondContact CB-O 3.44Å; S183-T239 WeakPolarHBondContact CB-OG1 3.24Å; S183-T239 PolarHBondContact OG-OG1 3.3Å; A184-T239 PolarHBondContact N-O 3.27Å; V237-T239 HydrophobicContact CG2-CG2 4.36Å; V237-T239 PolarHBondContact O-N 2.86Å | ||
| 240 | I | 92.5 | Very high | 96.9 | Very high | 101 Ų | 101 | 32.9 Ų | 32.9 | 52% | 0.518 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -79.2 | -40.6 | -176.3 | -66.8 | 175.1 | 0 | 0 | 0 | 111.4 | T52 S53 | T52-I240 HydrophobicContact CG2-CD1 4.24Å; S53-I240 WeakPolarHBondContact OG-CG2 3.25Å |
| 241 | N | 95.3 | Very high | 96.9 | Very high | 9 Ų | 9 | 32.5 Ų | 32.5 | 5% | 0.048 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -151.4 | 173.8 | -178.9 | -163 | 20.1 | 0 | 0 | 0 | 110.5 | H54 S183 N289 D317 N318 | H54-N241 PolarHBondContact CE1-ND2 3.48Å; S183-N241 VanDerWaalsContact OG-CA 3.31Å; S183-N241 WeakPolarHBondContact OG-CA 3.44Å; S183-N241 PolarHBondContact OG-O 3.19Å; N241-N289 WeakPolarHBondContact CB-OD1 3.48Å; N241-N289 PolarHBondContact ND2-OD1 3.49Å; N241-D317 PolarHBondContact ND2-OD1 2.83Å; N241-D317 PolarHBondContact ND2-OD2 3.05Å; N241-N318 WeakPolarHBondContact OD1-CB 3.42Å; N241-N318 PolarHBondContact OD1-N 3.05Å; N241-N318 PolarHBondContact OD1-ND2 3.13Å; N241-N318 VanDerWaalsContact OD1-ND2 3.1Å |
| 242 | V | 97.1 | Very high | 97 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | trans | 69.8 | 119.7 | -173.9 | -176.8 | 0 | 0 | 0 | 0 | 113.8 | S183 S285 F288 N289 W315 C316 N318 | S183-V242 PolarHBondContact OG-N 2.94Å; S183-V242 PolarHBondContact OG-O 2.5Å; V242-S285 VanDerWaalsContact CB-O 3.26Å; V242-S285 WeakPolarHBondContact CB-O 3.31Å; V242-S285 VanDerWaalsContact CG1-O 3.31Å; V242-S285 WeakPolarHBondContact CG1-O 3.21Å; V242-S285 VanDerWaalsContact CG2-O 3.24Å; V242-S285 WeakPolarHBondContact CG2-O 3.25Å; V242-F288 HydrophobicContact CG1-CB 4.02Å; V242-F288 HydrophobicContact CG2-CB 4.28Å; V242-N289 HydrophobicContact CG2-CB 3.9Å; V242-W315 HydrophobicContact CG1-CE3 3.96Å; V242-C316 WeakPolarHBondContact CA-O 3.39Å; V242-N318 PolarHBondContact N-ND2 2.78Å | ||
| 243 | T | 97 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 144.5 | 173.9 | -74.3 | 0 | 0 | 0 | 0 | 110.2 | T156 T180 I181 H182 I245 W315 C316 N318 | T156-T243 HydrophobicContact CG2-CG2 4.35Å; T180-T243 HydrophobicContact CG2-CG2 3.65Å; I181-T243 WeakPolarHBondContact O-CA 3.42Å; H182-T243 VanDerWaalsContact CA-OG1 3.32Å; H182-T243 WeakPolarHBondContact CA-OG1 3.43Å; H182-T243 HydrophobicContact CB-CG2 4.41Å; H182-T243 PolarHBondContact CD2-OG1 2.94Å; H182-T243 VanDerWaalsContact CG-OG1 3.29Å; T243-I245 HydrophobicContact CG2-CD1 4.49Å; T243-I245 HydrophobicContact CG2-CG1 3.82Å; T243-W315 WeakPolarHBondContact O-CA 3.34Å; T243-C316 PolarHBondContact N-O 2.85Å; T243-C316 PolarHBondContact O-N 2.69Å; T243-N318 WeakPolarHBondContact CB-OD1 2.98Å; T243-N318 PolarHBondContact OG1-OD1 3.39Å |
| 244 | A | 97.9 | Very high | 97.2 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 135.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | I181 L313 V314 W315 | I181-A244 WeakPolarHBondContact CA-O 3.28Å; I181-A244 HydrophobicContact CB-CB 4.3Å; I181-A244 WeakPolarHBondContact CB-O 3.28Å; I181-A244 HydrophobicContact CD1-CB 4.38Å; I181-A244 PolarHBondContact N-O 2.99Å; I181-A244 PolarHBondContact O-N 3.3Å; A244-L313 HydrophobicContact CB-CD1 4.16Å; A244-V314 CarbonylContact C-O 3.46Å; A244-W315 HydrophobicContact CB-CD2 4.37Å; A244-W315 HydrophobicContact CB-CE3 3.7Å; A244-W315 HydrophobicContact CB-CH2 4.09Å; A244-W315 HydrophobicContact CB-CZ3 3.55Å |
| 245 | I | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 118.2 | 175.7 | -56.9 | -171.9 | 0 | 0 | 0 | 108.5 | T156 C159 I160 V178 T180 T243 V314 | T156-I245 HydrophobicContact CG2-CD1 4.29Å; C159-I245 HydrophobicContact CB-CD1 4.09Å; I160-I245 HydrophobicContact CB-CD1 4.31Å; I160-I245 HydrophobicContact CD1-CB 4.42Å; I160-I245 HydrophobicContact CD1-CG2 3.78Å; I160-I245 HydrophobicContact CG1-CG2 4.14Å; V178-I245 HydrophobicContact CG1-CG2 3.32Å; T180-I245 HydrophobicContact CG2-CG1 4.36Å; T243-I245 HydrophobicContact CG2-CD1 4.49Å; T243-I245 HydrophobicContact CG2-CG1 3.82Å; I245-V314 PolarHBondContact N-O 3.41Å; I245-V314 PolarHBondContact O-N 3.2Å |
| 246 | D | 98.1 | Very high | 97.3 | Very high | 33 Ų | 33 | 41.5 Ų | 41.5 | 18% | 0.176 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 112.2 | 169.6 | -173.2 | -79.4 | 0 | 0 | 0 | 108.3 | V178 T179 K311 | V178-D246 WeakPolarHBondContact CA-O 3.37Å; T179-D246 PolarHBondContact N-O 3.33Å; T179-D246 PolarHBondContact O-N 2.65Å; D246-K311 WeakPolarHBondContact OD1-CE 2.85Å; D246-K311 IonicContact OD1-NZ 3.59Å; D246-K311 PolarHBondContact OD1-NZ 3.5Å; D246-K311 WeakPolarHBondContact OD2-CE 3.41Å; D246-K311 IonicContact OD2-NZ 3.92Å; D246-K311 PolarHBondContact OD2-NZ 2.73Å |
| 247 | L | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.7 | 177.8 | 172.5 | 68.3 | 0 | 0 | 0 | 109 | I160 V163 I164 L167 V178 F230 V249 K311 T312 | I160-L247 HydrophobicContact CD1-CB 4Å; I160-L247 HydrophobicContact CD1-CD2 3.86Å; I160-L247 HydrophobicContact CD1-CG 4.37Å; I160-L247 HydrophobicContact CG1-CD1 4.46Å; I160-L247 HydrophobicContact CG1-CD2 4.32Å; V163-L247 HydrophobicContact CG1-CD2 4.02Å; I164-L247 HydrophobicContact CD1-CD1 4.37Å; I164-L247 HydrophobicContact CG1-CD1 4.2Å; I164-L247 HydrophobicContact CG1-CD2 4Å; L167-L247 HydrophobicContact CD1-CD2 4.05Å; V178-L247 HydrophobicContact CG2-CD1 3.73Å; F230-L247 HydrophobicContact CE1-CD1 3.98Å; L247-V249 HydrophobicContact CD1-CG1 3.67Å; L247-V249 HydrophobicContact CD2-CG1 4.47Å; L247-V249 HydrophobicContact CG-CG1 4.03Å; L247-K311 CarbonylContact O-C 3.48Å; L247-K311 VanDerWaalsContact O-CA 3.28Å; L247-K311 WeakPolarHBondContact O-CA 3.46Å; L247-T312 PolarHBondContact N-O 3.49Å; L247-T312 PolarHBondContact O-N 2.77Å |
| 248 | S | 98.6 | Very high | 97.5 | Very high | 17 Ų | 17 | 45.6 Ų | 45.6 | 12% | 0.119 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 126.6 | 171.7 | -60 | 0 | 0 | 0 | 0 | 109.6 | G176 T177 I310 | G176-S248 CarbonylContact C-O 3.5Å; G176-S248 WeakPolarHBondContact CA-O 3.2Å; T177-S248 PolarHBondContact N-O 3.42Å; T177-S248 PolarHBondContact O-N 3.08Å; S248-I310 CarbonylContact C-O 3.55Å; S248-I310 VanDerWaalsContact CA-O 3.29Å; S248-I310 WeakPolarHBondContact CA-O 3.28Å |
| 249 | V | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 139.3 | -177.7 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | L167 I173 S175 F230 L247 V251 I310 | L167-V249 HydrophobicContact CD1-CG2 4.03Å; I173-V249 HydrophobicContact CD1-CB 4.28Å; I173-V249 HydrophobicContact CD1-CG1 4.08Å; I173-V249 HydrophobicContact CD1-CG2 4.33Å; I173-V249 HydrophobicContact CG1-CB 4.23Å; I173-V249 HydrophobicContact CG1-CG2 4.29Å; I173-V249 HydrophobicContact CG2-CB 4.2Å; I173-V249 HydrophobicContact CG2-CG1 4.37Å; S175-V249 WeakPolarHBondContact O-CA 3.46Å; F230-V249 HydrophobicContact CE1-CG1 4.11Å; F230-V249 HydrophobicContact CZ-CG1 3.77Å; L247-V249 HydrophobicContact CD1-CG1 3.67Å; L247-V249 HydrophobicContact CD2-CG1 4.47Å; L247-V249 HydrophobicContact CG-CG1 4.03Å; V249-V251 HydrophobicContact CG2-CG1 4.16Å; V249-I310 HydrophobicContact CG2-CB 3.95Å; V249-I310 HydrophobicContact CG2-CD1 4.48Å; V249-I310 PolarHBondContact N-O 2.91Å; V249-I310 PolarHBondContact O-N 2.95Å |
| 250 | T | 98.7 | Very high | 97.8 | Very high | 44 Ų | 44 | 44.2 Ų | 44.2 | 27% | 0.27 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 131 | 169.7 | -49.5 | 0 | 0 | 0 | 0 | 108.4 | E174 S175 H308 | E174-T250 PolarHBondContact N-O 2.95Å; S175-T250 PolarHBondContact O-N 2.83Å; T250-H308 CarbonylContact C-O 3.39Å; T250-H308 VanDerWaalsContact CA-O 3.31Å; T250-H308 WeakPolarHBondContact CA-O 3.22Å |
| 251 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 150.5 | -176.2 | -62.7 | 0 | 0 | 0 | 0 | 112.5 | G172 I173 V249 K253 V255 H308 I310 | G172-V251 CarbonylContact O-C 3.49Å; G172-V251 VanDerWaalsContact O-CA 3.31Å; G172-V251 WeakPolarHBondContact O-CA 3.34Å; I173-V251 HydrophobicContact CG1-CG1 4.02Å; V249-V251 HydrophobicContact CG2-CG1 4.16Å; V251-K253 WeakPolarHBondContact CG2-O 3.37Å; V251-V255 HydrophobicContact CG2-CG1 4.13Å; V251-H308 WeakPolarHBondContact CG2-O 3.49Å; V251-H308 PolarHBondContact N-O 3.12Å; V251-H308 PolarHBondContact O-ND1 3.45Å; V251-I310 HydrophobicContact CG1-CD1 3.78Å; V251-I310 HydrophobicContact CG1-CG1 4.45Å; V251-I310 HydrophobicContact CG2-CD1 3.93Å; V251-I310 HydrophobicContact CG2-CG1 4.17Å |
| 252 | K | 98.2 | Very high | 98.2 | Very high | 132 Ų | 132 | 43.9 Ų | 43.9 | 57% | 0.574 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -72.6 | -45.1 | -178.1 | -65 | 174.6 | -175.1 | 170.1 | 0 | 112.2 | Y171 G172 E174 H308 | Y171-K252 PolarHBondContact O-N 3.33Å; G172-K252 WeakPolarHBondContact O-CG 3.4Å; G172-K252 PolarHBondContact O-N 3.3Å; E174-K252 HydrophobicContact CG-CD 4.32Å; E174-K252 HydrophobicContact CG-CG 3.46Å; E174-K252 VanDerWaalsContact CG-CG 3.46Å; K252-H308 PolarHBondContact O-CE1 3.44Å |
| 253 | K | 98.2 | Very high | 98.2 | Very high | 116 Ų | 116 | 45.7 Ų | 45.7 | 50% | 0.504 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -82.9 | 132.8 | -178.9 | -62.5 | -175.9 | -162.7 | 159.5 | 0 | 110.1 | A170 Y171 V251 | A170-K253 WeakPolarHBondContact O-CD 3.24Å; A170-K253 PolarHBondContact O-NZ 2.99Å; Y171-K253 HydrophobicContact CD1-CB 4.3Å; Y171-K253 PolarHBondContact O-N 3.41Å; V251-K253 WeakPolarHBondContact CG2-O 3.37Å |
| 254 | P | 98.2 | Very high | 98.2 | Very high | 92 Ų | 92 | 45.7 Ų | 45.7 | 60% | 0.597 | 24% | 0.236 | S | C | * | . | trans | -64.8 | 141 | 175.5 | 28.2 | -34.1 | 0 | 0 | 0 | 110.3 | A307 | P254-A307 CarbonylContact C-O 3.51Å; P254-A307 WeakPolarHBondContact CA-O 3.24Å; P254-A307 HydrophobicContact CB-CB 4.06Å | ||
| 255 | V | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.024 | 25% | 0.25 | C | S | . | . | trans | -148.8 | 159.1 | -174.2 | 68.3 | 0 | 0 | 0 | 0 | 111.6 | Y171 V251 E259 V260 V304 A307 I310 | Y171-V255 HydrophobicContact CD1-CB 4.05Å; Y171-V255 HydrophobicContact CD1-CG2 3.99Å; Y171-V255 HydrophobicContact CD2-CG2 4.44Å; Y171-V255 HydrophobicContact CE1-CB 3.97Å; Y171-V255 HydrophobicContact CE1-CG2 3.43Å; Y171-V255 VanDerWaalsContact CE1-CG2 3.43Å; Y171-V255 HydrophobicContact CE2-CG2 3.93Å; Y171-V255 HydrophobicContact CG-CG2 4.47Å; V251-V255 HydrophobicContact CG2-CG1 4.13Å; V255-E259 HydrophobicContact CG2-CB 3.86Å; V255-V260 HydrophobicContact CG1-CG2 4.24Å; V255-V260 HydrophobicContact CG2-CG2 3.69Å; V255-V304 HydrophobicContact CG1-CG1 4.14Å; V255-V304 HydrophobicContact CG1-CG2 4.43Å; V255-V304 VanDerWaalsContact O-CG1 3.31Å; V255-V304 WeakPolarHBondContact O-CG1 3.29Å; V255-A307 PolarHBondContact N-O 3.1Å; V255-A307 WeakPolarHBondContact O-CA 3.39Å; V255-I310 HydrophobicContact CG1-CD1 3.83Å; V255-I310 HydrophobicContact CG1-CG1 3.82Å | ||
| 256 | K | 98.4 | Very high | 98 | Very high | 141 Ų | 141 | 55.3 Ų | 55.3 | 61% | 0.613 | 28% | 0.278 | S | S | * | . | trans | -114.4 | 157.6 | 171.1 | -62.6 | 177.7 | -176.3 | 175.2 | 0 | 111.7 | N258 E259 V260 | K256-N258 VanDerWaalsContact C-N 3.29Å; K256-N258 WeakPolarHBondContact CB-OD1 3.28Å; K256-N258 PolarHBondContact O-N 3.36Å; K256-E259 HydrophobicContact CB-CG 4.37Å; K256-E259 WeakPolarHBondContact CB-OE2 3.07Å; K256-E259 PolarHBondContact N-OE2 3.37Å; K256-E259 WeakPolarHBondContact O-CB 3.33Å; K256-E259 PolarHBondContact O-N 2.98Å; K256-V260 PolarHBondContact O-N 2.88Å | ||
| 257 | A | 98.1 | Very high | 97.7 | Very high | 33 Ų | 33 | 54.2 Ų | 54.2 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.5 | -37.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E259 V260 N261 T302 V304 | A257-E259 VanDerWaalsContact C-N 3.32Å; A257-E259 PolarHBondContact O-N 3.35Å; A257-V260 PolarHBondContact O-N 2.89Å; A257-N261 WeakPolarHBondContact O-CB 3.38Å; A257-N261 PolarHBondContact O-N 3.01Å; A257-T302 HydrophobicContact CB-CG2 4.08Å; A257-V304 HydrophobicContact CB-CG2 4.09Å |
| 258 | N | 97.8 | Very high | 97.5 | Very high | 107 Ų | 107 | 54.5 Ų | 54.5 | 57% | 0.572 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -67.4 | -31 | 177.1 | 64.4 | -33.8 | 0 | 0 | 0 | 113 | K256 L262 | K256-N258 VanDerWaalsContact C-N 3.29Å; K256-N258 WeakPolarHBondContact CB-OD1 3.28Å; K256-N258 PolarHBondContact O-N 3.36Å; N258-L262 WeakPolarHBondContact O-CB 3.4Å; N258-L262 PolarHBondContact O-N 2.96Å |
| 259 | E | 98.2 | Very high | 97 | Very high | 87 Ų | 87 | 60.3 Ų | 60.3 | 41% | 0.407 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -71.4 | -41.3 | 176 | -63 | 173.4 | 121.7 | 0 | 0 | 110.9 | Y171 V255 K256 A257 L262 L263 | Y171-E259 PolarHBondContact OH-O 3.15Å; V255-E259 HydrophobicContact CG2-CB 3.86Å; K256-E259 HydrophobicContact CB-CG 4.37Å; K256-E259 WeakPolarHBondContact CB-OE2 3.07Å; K256-E259 PolarHBondContact N-OE2 3.37Å; K256-E259 WeakPolarHBondContact O-CB 3.33Å; K256-E259 PolarHBondContact O-N 2.98Å; A257-E259 VanDerWaalsContact C-N 3.32Å; A257-E259 PolarHBondContact O-N 3.35Å; E259-L262 PolarHBondContact O-N 3.01Å; E259-L263 PolarHBondContact O-N 3.3Å |
| 260 | V | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 172.7 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | L167 Y171 V255 K256 A257 L262 L263 L264 T302 V304 I310 T312 | L167-V260 HydrophobicContact CD2-CG1 3.93Å; Y171-V260 HydrophobicContact CE2-CG2 4.31Å; V255-V260 HydrophobicContact CG1-CG2 4.24Å; V255-V260 HydrophobicContact CG2-CG2 3.69Å; K256-V260 PolarHBondContact O-N 2.88Å; A257-V260 PolarHBondContact O-N 2.89Å; V260-L262 PolarHBondContact O-N 3.47Å; V260-L263 WeakPolarHBondContact O-CB 3.37Å; V260-L263 PolarHBondContact O-N 2.92Å; V260-L264 HydrophobicContact CG1-CD1 3.85Å; V260-L264 WeakPolarHBondContact O-CG 3.31Å; V260-L264 PolarHBondContact O-N 3.48Å; V260-T302 HydrophobicContact CB-CG2 4.03Å; V260-T302 HydrophobicContact CG1-CG2 3.91Å; V260-V304 HydrophobicContact CG2-CG2 4.16Å; V260-I310 HydrophobicContact CG1-CG2 4.09Å; V260-I310 HydrophobicContact CG2-CD1 3.88Å; V260-I310 HydrophobicContact CG2-CG1 4.21Å; V260-I310 HydrophobicContact CG2-CG2 4.17Å; V260-T312 HydrophobicContact CG1-CG2 4.36Å |
| 261 | N | 98.4 | Very high | 95.7 | Very high | 19 Ų | 19 | 63.8 Ų | 63.8 | 10% | 0.102 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 177.6 | -80.8 | 4.3 | 0 | 0 | 0 | 111.8 | A257 L263 L264 Q265 Y278 G299 T302 | A257-N261 WeakPolarHBondContact O-CB 3.38Å; A257-N261 PolarHBondContact O-N 3.01Å; N261-L263 VanDerWaalsContact C-N 3.32Å; N261-L263 PolarHBondContact O-N 3.46Å; N261-L264 PolarHBondContact O-N 3.2Å; N261-Q265 VanDerWaalsContact O-CB 3.28Å; N261-Q265 WeakPolarHBondContact O-CB 3.43Å; N261-Q265 PolarHBondContact O-N 3.25Å; N261-Y278 HydrophobicContact CB-CE2 4.12Å; N261-Y278 VanDerWaalsContact CB-OH 3.28Å; N261-Y278 WeakPolarHBondContact CB-OH 3.29Å; N261-Y278 PolarHBondContact ND2-OH 2.93Å; N261-G299 PolarHBondContact ND2-O 3.18Å; N261-T302 WeakPolarHBondContact OD1-CB 3.35Å; N261-T302 WeakPolarHBondContact OD1-CG2 3.36Å; N261-T302 PolarHBondContact OD1-OG1 3.12Å |
| 262 | L | 98 | Very high | 95.3 | Very high | 84 Ų | 84 | 64.2 Ų | 64.2 | 44% | 0.44 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.8 | -38 | 178.4 | -174.5 | 66.2 | 0 | 0 | 0 | 112.4 | N258 E259 V260 K266 | N258-L262 WeakPolarHBondContact O-CB 3.4Å; N258-L262 PolarHBondContact O-N 2.96Å; E259-L262 PolarHBondContact O-N 3.01Å; V260-L262 PolarHBondContact O-N 3.47Å; L262-K266 HydrophobicContact CG-CD 4.36Å; L262-K266 WeakPolarHBondContact O-CB 3.44Å; L262-K266 VanDerWaalsContact O-CG 3.28Å; L262-K266 WeakPolarHBondContact O-CG 3.4Å; L262-K266 PolarHBondContact O-N 2.87Å |
| 263 | L | 97.7 | Very high | 94.9 | Very high | 42 Ų | 42 | 64.3 Ų | 64.3 | 22% | 0.22 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.1 | -51 | 174.7 | 171.6 | 68 | 0 | 0 | 0 | 111.1 | L167 A170 Y171 E259 V260 N261 K266 A267 | L167-L263 HydrophobicContact CD2-CD2 4.38Å; A170-L263 HydrophobicContact CB-CD1 4.32Å; A170-L263 HydrophobicContact CB-CD2 3.52Å; Y171-L263 HydrophobicContact CD2-CD2 4.4Å; Y171-L263 HydrophobicContact CE2-CD2 3.63Å; E259-L263 PolarHBondContact O-N 3.3Å; V260-L263 WeakPolarHBondContact O-CB 3.37Å; V260-L263 PolarHBondContact O-N 2.92Å; N261-L263 VanDerWaalsContact C-N 3.32Å; N261-L263 PolarHBondContact O-N 3.46Å; L263-K266 PolarHBondContact O-N 2.96Å; L263-A267 WeakPolarHBondContact O-CB 3.39Å; L263-A267 PolarHBondContact O-N 2.81Å |
| 264 | L | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.7 | -40.2 | -176.4 | -64.1 | 171.2 | 0 | 0 | 0 | 111.3 | V163 L166 V260 N261 A267 A268 Y278 V297 T312 | V163-L264 HydrophobicContact CG1-CD2 4.22Å; L166-L264 HydrophobicContact CB-CD2 4.25Å; L166-L264 HydrophobicContact CD1-CD2 3.94Å; V260-L264 HydrophobicContact CG1-CD1 3.85Å; V260-L264 WeakPolarHBondContact O-CG 3.31Å; V260-L264 PolarHBondContact O-N 3.48Å; N261-L264 PolarHBondContact O-N 3.2Å; L264-A267 PolarHBondContact O-N 3.04Å; L264-A268 PolarHBondContact O-N 2.96Å; L264-Y278 HydrophobicContact CB-CD2 4.16Å; L264-V297 HydrophobicContact CD1-CB 4.46Å; L264-V297 HydrophobicContact CD1-CG1 3.69Å; L264-V297 HydrophobicContact CD1-CG2 4.19Å; L264-T312 HydrophobicContact CD1-CG2 4.4Å |
| 265 | Q | 96.9 | Very high | 94.4 | Very high | 76 Ų | 76 | 56.2 Ų | 56.2 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 173.8 | -172.8 | 179.3 | 44 | 0 | 0 | 112.1 | N261 A267 A268 Q269 Y278 | N261-Q265 VanDerWaalsContact O-CB 3.28Å; N261-Q265 WeakPolarHBondContact O-CB 3.43Å; N261-Q265 PolarHBondContact O-N 3.25Å; Q265-A267 VanDerWaalsContact C-N 3.34Å; Q265-A267 PolarHBondContact O-N 3.19Å; Q265-A268 PolarHBondContact O-N 3.42Å; Q265-Q269 WeakPolarHBondContact O-CG 3.36Å; Q265-Q269 PolarHBondContact O-N 3.03Å; Q265-Y278 HydrophobicContact CB-CD1 3.88Å; Q265-Y278 HydrophobicContact CB-CD2 4.44Å; Q265-Y278 HydrophobicContact CB-CE1 4.2Å; Q265-Y278 HydrophobicContact CB-CG 4.01Å; Q265-Y278 HydrophobicContact CG-CD1 3.92Å; Q265-Y278 HydrophobicContact CG-CE1 4.35Å; Q265-Y278 HydrophobicContact CG-CG 4.42Å |
| 266 | K | 95.3 | Very high | 94.3 | Very high | 133 Ų | 133 | 56 Ų | 56 | 58% | 0.578 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65 | -38.3 | 176.1 | -78.9 | 180 | 177.8 | -177 | 0 | 112.4 | L262 L263 Q269 G270 | L262-K266 HydrophobicContact CG-CD 4.36Å; L262-K266 WeakPolarHBondContact O-CB 3.44Å; L262-K266 VanDerWaalsContact O-CG 3.28Å; L262-K266 WeakPolarHBondContact O-CG 3.4Å; L262-K266 PolarHBondContact O-N 2.87Å; L263-K266 PolarHBondContact O-N 2.96Å; K266-Q269 PolarHBondContact O-N 3.27Å; K266-G270 PolarHBondContact O-N 2.86Å; K266-G270 VanDerWaalsContact O-N 3.08Å |
| 267 | A | 91.5 | Very high | 94.2 | Very high | 9 Ų | 9 | 52 Ų | 52 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L166 L263 L264 Q265 Q269 G270 F272 | L166-A267 HydrophobicContact CD1-CB 3.44Å; L166-A267 VanDerWaalsContact CD1-CB 3.44Å; L166-A267 HydrophobicContact CD2-CB 3.51Å; L166-A267 HydrophobicContact CG-CB 4.13Å; L263-A267 WeakPolarHBondContact O-CB 3.39Å; L263-A267 PolarHBondContact O-N 2.81Å; L264-A267 PolarHBondContact O-N 3.04Å; Q265-A267 VanDerWaalsContact C-N 3.34Å; Q265-A267 PolarHBondContact O-N 3.19Å; A267-Q269 PolarHBondContact O-N 3.19Å; A267-G270 CarbonylContact O-C 3.56Å; A267-G270 PolarHBondContact O-N 2.81Å; A267-G270 VanDerWaalsContact O-N 3.12Å; A267-F272 HydrophobicContact CB-CD2 4.31Å; A267-F272 PolarHBondContact O-N 2.86Å |
| 268 | A | 93.3 | Very high | 94.2 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.5 | -31.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L264 Q265 H273 V276 | L264-A268 PolarHBondContact O-N 2.96Å; Q265-A268 PolarHBondContact O-N 3.42Å; A268-H273 VanDerWaalsContact O-CA 3.28Å; A268-H273 WeakPolarHBondContact O-CA 3.43Å; A268-V276 VanDerWaalsContact CA-O 3.28Å; A268-V276 WeakPolarHBondContact CA-O 3.33Å; A268-V276 VanDerWaalsContact CB-O 3.22Å; A268-V276 WeakPolarHBondContact CB-O 3.26Å |
| 269 | Q | 89.2 | Confident | 94.2 | Very high | 140 Ų | 140 | 47.4 Ų | 47.4 | 65% | 0.654 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -4.2 | 177.6 | -66 | 174.6 | 2.7 | 0 | 0 | 114 | Q265 K266 A267 | Q265-Q269 WeakPolarHBondContact O-CG 3.36Å; Q265-Q269 PolarHBondContact O-N 3.03Å; K266-Q269 PolarHBondContact O-N 3.27Å; A267-Q269 PolarHBondContact O-N 3.19Å |
| 270 | G | 88.3 | Confident | 94.2 | Very high | 28 Ų | 28 | 49 Ų | 49 | 29% | 0.289 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | -111.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K266 A267 F272 H273 | K266-G270 PolarHBondContact O-N 2.86Å; K266-G270 VanDerWaalsContact O-N 3.08Å; A267-G270 CarbonylContact O-C 3.56Å; A267-G270 PolarHBondContact O-N 2.81Å; A267-G270 VanDerWaalsContact O-N 3.12Å; G270-F272 PolarHBondContact O-N 3.02Å; G270-H273 WeakPolarHBondContact O-CB 3.47Å; G270-H273 PolarHBondContact O-N 2.85Å |
| 271 | A | 81.1 | Confident | 94.1 | Very high | 90 Ų | 90 | 54 Ų | 54 | 74% | 0.744 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -21.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 272 | F | 90.4 | Very high | 94 | Very high | 9 Ų | 9 | 59 Ų | 59 | 4% | 0.039 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 21.5 | 178.8 | -73 | -84.1 | 0 | 0 | 0 | 113.1 | G137 V138 P162 K165 L166 A267 G270 G274 I275 V276 | G137-F272 VanDerWaalsContact O-CE1 3.22Å; G137-F272 WeakPolarHBondContact O-CE1 3.4Å; V138-F272 HydrophobicContact CG2-CE1 3.99Å; V138-F272 HydrophobicContact CG2-CZ 4.37Å; P162-F272 HydrophobicContact CB-CD1 3.94Å; P162-F272 HydrophobicContact CB-CE1 3.67Å; P162-F272 HydrophobicContact CB-CZ 4.27Å; P162-F272 HydrophobicContact CG-CE1 4.26Å; K165-F272 HydrophobicContact CD-CZ 4.4Å; L166-F272 HydrophobicContact CD1-CD2 3.98Å; L166-F272 HydrophobicContact CD1-CE2 4.14Å; L166-F272 HydrophobicContact CD2-CD2 3.91Å; L166-F272 HydrophobicContact CD2-CE2 3.69Å; L166-F272 HydrophobicContact CG-CD2 4.12Å; L166-F272 HydrophobicContact CG-CE2 3.81Å; A267-F272 HydrophobicContact CB-CD2 4.31Å; A267-F272 PolarHBondContact O-N 2.86Å; G270-F272 PolarHBondContact O-N 3.02Å; F272-G274 PolarHBondContact O-N 3.34Å; F272-I275 HydrophobicContact CD1-CB 4.42Å; F272-I275 HydrophobicContact CD1-CG2 4.32Å; F272-I275 WeakPolarHBondContact O-CA 3.43Å; F272-I275 WeakPolarHBondContact O-CB 3.5Å; F272-I275 PolarHBondContact O-N 3.43Å; F272-V276 HydrophobicContact CB-CB 3.85Å; F272-V276 HydrophobicContact CB-CG2 3.76Å; F272-V276 HydrophobicContact CD1-CG2 4.03Å; F272-V276 HydrophobicContact CG-CG2 4.02Å; F272-V276 PolarHBondContact O-N 3.36Å |
| 273 | H | 89.7 | Confident | 94 | Very high | 134 Ų | 134 | 57.7 Ų | 57.7 | 62% | 0.62 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 132.6 | 176.1 | -176.4 | 65.2 | 0 | 0 | 0 | 112 | A268 G270 I275 | A268-H273 VanDerWaalsContact O-CA 3.28Å; A268-H273 WeakPolarHBondContact O-CA 3.43Å; G270-H273 WeakPolarHBondContact O-CB 3.47Å; G270-H273 PolarHBondContact O-N 2.85Å; H273-I275 PolarHBondContact O-N 3.16Å |
| 274 | G | 90.1 | Very high | 93.9 | Very high | 26 Ų | 26 | 59.8 Ų | 59.8 | 27% | 0.268 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 0.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | F272 R325 | F272-G274 PolarHBondContact O-N 3.34Å; G274-R325 PolarHBondContact O-NH1 2.92Å; G274-R325 VanDerWaalsContact O-NH1 3.08Å; G274-R325 PolarHBondContact O-NH2 3.43Å |
| 275 | I | 95.4 | Very high | 93.8 | Very high | 11 Ų | 11 | 61.3 Ų | 61.3 | 6% | 0.056 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | -51.1 | 177.9 | -55 | 172.7 | 0 | 0 | 0 | 111.2 | Y136 G137 F272 H273 S294 A295 | Y136-I275 HydrophobicContact CD1-CD1 3.64Å; Y136-I275 HydrophobicContact CD1-CG1 4.36Å; Y136-I275 HydrophobicContact CE1-CD1 4.06Å; G137-I275 VanDerWaalsContact CA-CD1 3.5Å; F272-I275 HydrophobicContact CD1-CB 4.42Å; F272-I275 HydrophobicContact CD1-CG2 4.32Å; F272-I275 WeakPolarHBondContact O-CA 3.43Å; F272-I275 WeakPolarHBondContact O-CB 3.5Å; F272-I275 PolarHBondContact O-N 3.43Å; H273-I275 PolarHBondContact O-N 3.16Å; I275-S294 PolarHBondContact O-N 2.76Å; I275-A295 PolarHBondContact O-N 3.46Å |
| 276 | V | 96.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135.8 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | P162 A268 F272 A295 V297 | P162-V276 HydrophobicContact CB-CG2 3.62Å; P162-V276 HydrophobicContact CG-CG2 4.41Å; A268-V276 VanDerWaalsContact CA-O 3.28Å; A268-V276 WeakPolarHBondContact CA-O 3.33Å; A268-V276 VanDerWaalsContact CB-O 3.22Å; A268-V276 WeakPolarHBondContact CB-O 3.26Å; F272-V276 HydrophobicContact CB-CB 3.85Å; F272-V276 HydrophobicContact CB-CG2 3.76Å; F272-V276 HydrophobicContact CD1-CG2 4.03Å; F272-V276 HydrophobicContact CG-CG2 4.02Å; F272-V276 PolarHBondContact O-N 3.36Å; V276-A295 CarbonylContact C-O 3.59Å; V276-A295 VanDerWaalsContact CA-O 3.29Å; V276-A295 WeakPolarHBondContact CA-O 3.26Å; V276-A295 HydrophobicContact CG1-CB 4.45Å; V276-A295 HydrophobicContact CG2-CB 4.29Å; V276-V297 HydrophobicContact CG1-CG2 4.41Å |
| 277 | D | 97.3 | Very high | 93.9 | Very high | 57 Ų | 57 | 60.2 Ų | 60.2 | 31% | 0.305 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 167.8 | 169.2 | -162.9 | 17.8 | 0 | 0 | 0 | 111 | H293 A295 I296 V297 | D277-H293 HydrophobicContact CB-CB 4.24Å; D277-A295 PolarHBondContact N-O 3.39Å; D277-I296 HydrophobicContact CB-CG1 4.11Å; D277-I296 HydrophobicContact CB-CG2 4.25Å; D277-I296 WeakPolarHBondContact O-CA 3.49Å; D277-V297 PolarHBondContact O-N 3.08Å |
| 278 | Y | 98 | Very high | 94.1 | Very high | 25 Ų | 25 | 60 Ų | 60 | 10% | 0.098 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 130.6 | -177.4 | 176.7 | -88.6 | 0 | 0 | 0 | 110.3 | N261 L264 Q265 E280 V297 G299 | N261-Y278 HydrophobicContact CB-CE2 4.12Å; N261-Y278 VanDerWaalsContact CB-OH 3.28Å; N261-Y278 WeakPolarHBondContact CB-OH 3.29Å; N261-Y278 PolarHBondContact ND2-OH 2.93Å; L264-Y278 HydrophobicContact CB-CD2 4.16Å; Q265-Y278 HydrophobicContact CB-CD1 3.88Å; Q265-Y278 HydrophobicContact CB-CD2 4.44Å; Q265-Y278 HydrophobicContact CB-CE1 4.2Å; Q265-Y278 HydrophobicContact CB-CG 4.01Å; Q265-Y278 HydrophobicContact CG-CD1 3.92Å; Q265-Y278 HydrophobicContact CG-CE1 4.35Å; Q265-Y278 HydrophobicContact CG-CG 4.42Å; Y278-E280 HydrophobicContact CE1-CG 3.82Å; Y278-E280 WeakPolarHBondContact OH-CG 3.24Å; Y278-E280 PolarHBondContact OH-OE1 2.93Å; Y278-V297 HydrophobicContact CD2-CB 4.08Å; Y278-V297 HydrophobicContact CD2-CG1 4.15Å; Y278-V297 HydrophobicContact CE2-CG1 4.4Å; Y278-G299 WeakPolarHBondContact OH-CA 3.33Å |
| 279 | T | 97.8 | Very high | 94.3 | Very high | 18 Ų | 18 | 61.8 Ų | 61.8 | 11% | 0.11 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 149.3 | 178.4 | -169.6 | 0 | 0 | 0 | 0 | 112.2 | L281 F288 I296 V297 G299 | T279-L281 WeakPolarHBondContact OG1-CB 3.25Å; T279-L281 PolarHBondContact OG1-N 3.06Å; T279-L281 VanDerWaalsContact OG1-N 3.13Å; T279-F288 HydrophobicContact CG2-CE1 4.08Å; T279-F288 HydrophobicContact CG2-CZ 4.27Å; T279-I296 HydrophobicContact CG2-CG2 3.93Å; T279-V297 PolarHBondContact N-O 3.49Å; T279-G299 PolarHBondContact O-N 2.79Å |
| 280 | E | 97.3 | Very high | 94.6 | Very high | 119 Ų | 119 | 57.7 Ų | 57.7 | 56% | 0.556 | 34% | 0.336 | S | S | * | . | trans | -118.6 | 7.9 | 165.8 | -65.5 | -172.1 | 151.9 | 0 | 0 | 111.8 | Y278 T300 | Y278-E280 HydrophobicContact CE1-CG 3.82Å; Y278-E280 WeakPolarHBondContact OH-CG 3.24Å; Y278-E280 PolarHBondContact OH-OE1 2.93Å; E280-T300 HydrophobicContact CB-CG2 3.94Å; E280-T300 HydrophobicContact CG-CG2 4.43Å; E280-T300 VanDerWaalsContact O-CG2 3.25Å; E280-T300 WeakPolarHBondContact O-CG2 3.26Å | ||
| 281 | L | 97.4 | Very high | 95 | Very high | 107 Ų | 107 | 58 Ų | 58 | 56% | 0.56 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -69 | 142.4 | 174.8 | -64.9 | 176.7 | 0 | 0 | 0 | 109.7 | T279 L283 | T279-L281 WeakPolarHBondContact OG1-CB 3.25Å; T279-L281 PolarHBondContact OG1-N 3.06Å; T279-L281 VanDerWaalsContact OG1-N 3.13Å; L281-L283 HydrophobicContact CB-CD1 4.05Å; L281-L283 HydrophobicContact CB-CD2 4.2Å; L281-L283 HydrophobicContact CB-CG 3.75Å; L281-L283 HydrophobicContact CD1-CD1 4.48Å; L281-L283 PolarHBondContact O-N 2.92Å |
| 282 | P | 95.7 | Very high | 95.8 | Very high | 124 Ų | 124 | 56.3 Ų | 56.3 | 81% | 0.805 | 31% | 0.313 | S | S | * | . | trans | -77.3 | 67.6 | -179.5 | 33.4 | -36.6 | 0 | 0 | 0 | 111.2 | ||||
| 283 | L | 96.8 | Very high | 96.1 | Very high | 56 Ų | 56 | 57.5 Ų | 57.5 | 29% | 0.293 | 32% | 0.318 | S | S | . | . | trans | -93.7 | 161.9 | -176.7 | -60 | 178.8 | 0 | 0 | 0 | 111.8 | L281 D287 F288 | L281-L283 HydrophobicContact CB-CD1 4.05Å; L281-L283 HydrophobicContact CB-CD2 4.2Å; L281-L283 HydrophobicContact CB-CG 3.75Å; L281-L283 HydrophobicContact CD1-CD1 4.48Å; L281-L283 PolarHBondContact O-N 2.92Å; L283-D287 HydrophobicContact CB-CB 4.05Å; L283-D287 HydrophobicContact CD1-CB 4.44Å; L283-D287 HydrophobicContact CD2-CB 4.06Å; L283-D287 HydrophobicContact CG-CB 4.39Å; L283-F288 HydrophobicContact CB-CE1 4.42Å; L283-F288 HydrophobicContact CB-CE2 3.92Å; L283-F288 HydrophobicContact CB-CZ 3.66Å; L283-F288 HydrophobicContact CD1-CE1 3.96Å; L283-F288 HydrophobicContact CD1-CZ 4.03Å; L283-F288 HydrophobicContact CG-CZ 4.48Å | ||
| 284 | V | 96 | Very high | 96.5 | Very high | 85 Ų | 85 | 51.3 Ų | 51.3 | 52% | 0.515 | 29% | 0.29 | S | S | . | . | trans | -125 | 174.2 | 175.5 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | V286 D287 F288 | V284-V286 VanDerWaalsContact C-N 3.26Å; V284-V286 HydrophobicContact CG2-CG1 4.16Å; V284-V286 PolarHBondContact O-N 2.75Å; V284-D287 WeakPolarHBondContact CG2-OD2 3.24Å; V284-D287 PolarHBondContact N-OD2 2.61Å; V284-D287 WeakPolarHBondContact O-CB 3.49Å; V284-D287 PolarHBondContact O-N 3.19Å; V284-F288 VanDerWaalsContact O-CD2 3.3Å; V284-F288 WeakPolarHBondContact O-CD2 3.31Å; V284-F288 WeakPolarHBondContact O-CE2 3.43Å | ||
| 285 | S | 95.7 | Very high | 96.9 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 22% | 0.224 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -50.4 | -40.6 | -169.6 | 64.7 | 0 | 0 | 0 | 0 | 114.6 | V242 D287 F288 | V242-S285 VanDerWaalsContact CB-O 3.26Å; V242-S285 WeakPolarHBondContact CB-O 3.31Å; V242-S285 VanDerWaalsContact CG1-O 3.31Å; V242-S285 WeakPolarHBondContact CG1-O 3.21Å; V242-S285 VanDerWaalsContact CG2-O 3.24Å; V242-S285 WeakPolarHBondContact CG2-O 3.25Å; S285-D287 PolarHBondContact O-N 3.38Å; S285-F288 PolarHBondContact O-N 2.85Å |
| 286 | V | 95.9 | Very high | 97 | Very high | 98 Ų | 98 | 49.7 Ų | 49.7 | 59% | 0.594 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -68.8 | -23.9 | -176.9 | 72.1 | 0 | 0 | 0 | 0 | 113 | V284 F288 N289 | V284-V286 VanDerWaalsContact C-N 3.26Å; V284-V286 HydrophobicContact CG2-CG1 4.16Å; V284-V286 PolarHBondContact O-N 2.75Å; V286-F288 VanDerWaalsContact C-N 3.25Å; V286-F288 PolarHBondContact O-N 3.39Å; V286-N289 VanDerWaalsContact O-CB 3.26Å; V286-N289 WeakPolarHBondContact O-CB 3.09Å; V286-N289 PolarHBondContact O-N 3.23Å |
| 287 | D | 97.4 | Very high | 97.1 | Very high | 88 Ų | 88 | 49.6 Ų | 49.6 | 47% | 0.471 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -73.1 | -20.9 | -178 | -57.6 | -46.2 | 0 | 0 | 0 | 112.4 | L283 V284 S285 | L283-D287 HydrophobicContact CB-CB 4.05Å; L283-D287 HydrophobicContact CD1-CB 4.44Å; L283-D287 HydrophobicContact CD2-CB 4.06Å; L283-D287 HydrophobicContact CG-CB 4.39Å; V284-D287 WeakPolarHBondContact CG2-OD2 3.24Å; V284-D287 PolarHBondContact N-OD2 2.61Å; V284-D287 WeakPolarHBondContact O-CB 3.49Å; V284-D287 PolarHBondContact O-N 3.19Å; S285-D287 PolarHBondContact O-N 3.38Å |
| 288 | F | 97.2 | Very high | 97.1 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 2% | 0.022 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -92.3 | 0.6 | 176 | -53.9 | -77.3 | 0 | 0 | 0 | 113 | V242 T279 L283 V284 S285 V286 H290 D291 I296 W315 | V242-F288 HydrophobicContact CG1-CB 4.02Å; V242-F288 HydrophobicContact CG2-CB 4.28Å; T279-F288 HydrophobicContact CG2-CE1 4.08Å; T279-F288 HydrophobicContact CG2-CZ 4.27Å; L283-F288 HydrophobicContact CB-CE1 4.42Å; L283-F288 HydrophobicContact CB-CE2 3.92Å; L283-F288 HydrophobicContact CB-CZ 3.66Å; L283-F288 HydrophobicContact CD1-CE1 3.96Å; L283-F288 HydrophobicContact CD1-CZ 4.03Å; L283-F288 HydrophobicContact CG-CZ 4.48Å; V284-F288 VanDerWaalsContact O-CD2 3.3Å; V284-F288 WeakPolarHBondContact O-CD2 3.31Å; V284-F288 WeakPolarHBondContact O-CE2 3.43Å; S285-F288 PolarHBondContact O-N 2.85Å; V286-F288 VanDerWaalsContact C-N 3.25Å; V286-F288 PolarHBondContact O-N 3.39Å; F288-H290 PolarHBondContact O-N 3.4Å; F288-D291 VanDerWaalsContact O-CB 3.25Å; F288-D291 WeakPolarHBondContact O-CB 3.33Å; F288-D291 PolarHBondContact O-N 2.79Å; F288-I296 HydrophobicContact CD1-CB 4.16Å; F288-I296 HydrophobicContact CD1-CD1 4.38Å; F288-I296 HydrophobicContact CD1-CG1 4.29Å; F288-I296 HydrophobicContact CD1-CG2 4.09Å; F288-I296 HydrophobicContact CE1-CB 4.21Å; F288-I296 HydrophobicContact CE1-CG2 3.73Å; F288-W315 HydrophobicContact CB-CB 4.48Å; F288-W315 HydrophobicContact CD1-CB 4.2Å; F288-W315 HydrophobicContact CD1-CG 4.46Å; F288-W315 HydrophobicContact CD2-CB 3.88Å; F288-W315 AromaticContact CD2-CD2 3.74Å; F288-W315 HydrophobicContact CD2-CD2 3.74Å; F288-W315 HydrophobicContact CD2-CE3 4.07Å; F288-W315 AromaticContact CD2-CG 3.65Å; F288-W315 HydrophobicContact CD2-CG 3.65Å; F288-W315 HydrophobicContact CE1-CB 4.41Å; F288-W315 HydrophobicContact CE1-CG 4.28Å; F288-W315 HydrophobicContact CE2-CB 4.11Å; F288-W315 AromaticContact CE2-CD1 3.47Å; F288-W315 VanDerWaalsContact CE2-CD1 3.47Å; F288-W315 AromaticContact CE2-CD2 3.5Å; F288-W315 HydrophobicContact CE2-CD2 3.5Å; F288-W315 AromaticContact CE2-CE2 3.59Å; F288-W315 HydrophobicContact CE2-CE3 4.19Å; F288-W315 AromaticContact CE2-CG 3.44Å; F288-W315 HydrophobicContact CE2-CG 3.44Å; F288-W315 VanDerWaalsContact CE2-CG 3.44Å; F288-W315 HydrophobicContact CE2-CZ2 4.32Å; F288-W315 AromaticContact CE2-NE1 3.55Å; F288-W315 HydrophobicContact CG-CB 3.92Å; F288-W315 HydrophobicContact CG-CG 4.16Å; F288-W315 HydrophobicContact CZ-CB 4.36Å; F288-W315 AromaticContact CZ-CD1 3.4Å; F288-W315 HydrophobicContact CZ-CD2 4.25Å; F288-W315 AromaticContact CZ-CG 3.77Å; F288-W315 HydrophobicContact CZ-CG 3.77Å; F288-W315 AromaticContact CZ-NE1 3.67Å |
| 289 | N | 96.6 | Very high | 97.1 | Very high | 44 Ų | 44 | 46.3 Ų | 46.3 | 24% | 0.235 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 135.1 | 179.5 | -176.9 | 78.7 | 0 | 0 | 0 | 109.3 | S53 N241 V242 V286 D291 D317 | S53-N289 PolarHBondContact O-ND2 3.18Å; N241-N289 WeakPolarHBondContact CB-OD1 3.48Å; N241-N289 PolarHBondContact ND2-OD1 3.49Å; V242-N289 HydrophobicContact CG2-CB 3.9Å; V286-N289 VanDerWaalsContact O-CB 3.26Å; V286-N289 WeakPolarHBondContact O-CB 3.09Å; V286-N289 PolarHBondContact O-N 3.23Å; N289-D291 VanDerWaalsContact C-N 3.26Å; N289-D317 WeakPolarHBondContact CA-OD2 3.26Å |
| 290 | H | 96.3 | Very high | 97 | Very high | 54 Ų | 54 | 48 Ų | 48 | 25% | 0.25 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 18 | -174 | -140.5 | 72.8 | 0 | 0 | 0 | 114.9 | E23 H54 F288 D317 W320 | E23-H290 IonicContact OE2-CE1 3.74Å; E23-H290 IonicContact OE2-NE2 2.66Å; E23-H290 PolarHBondContact OE2-NE2 3.47Å; H54-H290 AromaticContact CE1-ND1 3.98Å; H54-H290 AromaticContact CG-ND1 3.51Å; H54-H290 AromaticContact ND1-CE1 3.85Å; H54-H290 AromaticContact ND1-CG 3.9Å; H54-H290 AromaticContact ND1-ND1 2.92Å; H54-H290 PolarHBondContact ND1-ND1 3.49Å; F288-H290 PolarHBondContact O-N 3.4Å; H290-D317 PolarHBondContact N-OD2 3.25Å; H290-W320 AromaticContact CD2-CE2 3.81Å; H290-W320 AromaticContact CD2-CZ2 3.93Å; H290-W320 AromaticContact CD2-NE1 3.94Å; H290-W320 AromaticContact CE1-CD2 3.5Å; H290-W320 VanDerWaalsContact CE1-CD2 3.5Å; H290-W320 AromaticContact CE1-CE2 3.51Å; H290-W320 AromaticContact CE1-CE3 3.36Å; H290-W320 AromaticContact CE1-CH2 3.29Å; H290-W320 WeakPolarHBondContact CE1-CH2 3.43Å; H290-W320 AromaticContact CE1-CZ2 3.43Å; H290-W320 VanDerWaalsContact CE1-CZ2 3.43Å; H290-W320 WeakPolarHBondContact CE1-CZ2 3.45Å; H290-W320 AromaticContact CE1-CZ3 3.26Å; H290-W320 WeakPolarHBondContact CE1-CZ3 3.24Å; H290-W320 AromaticContact CG-CE2 3.98Å; H290-W320 AromaticContact ND1-CD2 3.5Å; H290-W320 AromaticContact ND1-CE2 3.79Å; H290-W320 AromaticContact ND1-CE3 3.61Å; H290-W320 AromaticContact ND1-CG 3.93Å; H290-W320 AromaticContact ND1-CZ3 3.99Å; H290-W320 AromaticContact NE2-CE2 3.54Å; H290-W320 AromaticContact NE2-CH2 3.47Å; H290-W320 WeakPolarHBondContact NE2-CH2 3.33Å; H290-W320 AromaticContact NE2-CZ2 3.26Å; H290-W320 VanDerWaalsContact NE2-CZ2 3.26Å; H290-W320 WeakPolarHBondContact NE2-CZ2 3.43Å; H290-W320 AromaticContact NE2-CZ3 3.94Å; H290-W320 PolarHBondContact O-NE1 2.98Å |
| 291 | D | 97 | Very high | 97 | Very high | 35 Ų | 35 | 46.1 Ų | 46.1 | 19% | 0.187 | 26% | 0.262 | C | S | . | . | trans | -79.9 | 128.1 | 171.5 | -167.3 | -62.4 | 0 | 0 | 0 | 111 | F288 N289 H293 I296 G321 | F288-D291 VanDerWaalsContact O-CB 3.25Å; F288-D291 WeakPolarHBondContact O-CB 3.33Å; F288-D291 PolarHBondContact O-N 2.79Å; N289-D291 VanDerWaalsContact C-N 3.26Å; D291-H293 VanDerWaalsContact C-N 3.28Å; D291-H293 PolarHBondContact O-N 3.39Å; D291-H293 VanDerWaalsContact OD1-CB 3.27Å; D291-H293 WeakPolarHBondContact OD1-CB 3.16Å; D291-H293 IonicContact OD1-CE1 3.1Å; D291-H293 IonicContact OD1-CG 3.64Å; D291-H293 PolarHBondContact OD1-N 3.15Å; D291-H293 IonicContact OD1-ND1 3.88Å; D291-H293 PolarHBondContact OD1-ND1 2.8Å; D291-H293 IonicContact OD2-ND1 3.52Å; D291-I296 HydrophobicContact CB-CD1 4.3Å; D291-G321 PolarHBondContact O-N 2.98Å | ||
| 292 | P | 97 | Very high | 97.1 | Very high | 54 Ų | 54 | 41.2 Ų | 41.2 | 35% | 0.351 | 24% | 0.236 | S | C | . | . | trans | -75.3 | -11.7 | -175.5 | 31.4 | -36.7 | 0 | 0 | 0 | 114.1 | R325 | P292-R325 PolarHBondContact O-NH1 2.72Š| ||
| 293 | H | 97.6 | Very high | 97.2 | Very high | 34 Ų | 34 | 41.5 Ų | 41.5 | 16% | 0.157 | 22% | 0.221 | C | C | . | . | trans | -72 | 147.1 | 177.4 | -57.5 | 95.3 | 0 | 0 | 0 | 110.8 | D277 D291 I296 | D277-H293 HydrophobicContact CB-CB 4.24Å; D291-H293 VanDerWaalsContact C-N 3.28Å; D291-H293 PolarHBondContact O-N 3.39Å; D291-H293 VanDerWaalsContact OD1-CB 3.27Å; D291-H293 WeakPolarHBondContact OD1-CB 3.16Å; D291-H293 IonicContact OD1-CE1 3.1Å; D291-H293 IonicContact OD1-CG 3.64Å; D291-H293 PolarHBondContact OD1-N 3.15Å; D291-H293 IonicContact OD1-ND1 3.88Å; D291-H293 PolarHBondContact OD1-ND1 2.8Å; D291-H293 IonicContact OD2-ND1 3.52Å; H293-I296 HydrophobicContact CB-CD1 4.14Å; H293-I296 HydrophobicContact CB-CG1 4.11Å | ||
| 294 | S | 97.2 | Very high | 97.3 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 4% | 0.035 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -80 | -25.3 | 175.9 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | C159 I275 C316 R325 | C159-S294 WeakPolarHBondContact CA-O 3.2Å; C159-S294 WeakPolarHBondContact CB-O 3.49Å; I275-S294 PolarHBondContact O-N 2.76Å; S294-C316 WeakPolarHBondContact O-CB 3.38Å; S294-R325 WeakPolarHBondContact OG-CD 3.45Å; S294-R325 WeakPolarHBondContact OG-CG 3.39Å; S294-R325 PolarHBondContact OG-NH1 3.16Å |
| 295 | A | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 129.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | C159 V163 I275 V276 D277 V314 W315 | C159-A295 WeakPolarHBondContact O-CB 3.42Å; V163-A295 HydrophobicContact CG2-CB 4.28Å; I275-A295 PolarHBondContact O-N 3.46Å; V276-A295 CarbonylContact C-O 3.59Å; V276-A295 VanDerWaalsContact CA-O 3.29Å; V276-A295 WeakPolarHBondContact CA-O 3.26Å; V276-A295 HydrophobicContact CG1-CB 4.45Å; V276-A295 HydrophobicContact CG2-CB 4.29Å; D277-A295 PolarHBondContact N-O 3.39Å; A295-V314 HydrophobicContact CB-CG1 3.72Å; A295-W315 CarbonylContact C-O 3.6Å; A295-W315 WeakPolarHBondContact CA-O 3.41Å |
| 296 | I | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 109.7 | 170.8 | -53.3 | 90.6 | 0 | 0 | 0 | 107.5 | D277 T279 F288 D291 H293 V314 W315 | D277-I296 HydrophobicContact CB-CG1 4.11Å; D277-I296 HydrophobicContact CB-CG2 4.25Å; D277-I296 WeakPolarHBondContact O-CA 3.49Å; T279-I296 HydrophobicContact CG2-CG2 3.93Å; F288-I296 HydrophobicContact CD1-CB 4.16Å; F288-I296 HydrophobicContact CD1-CD1 4.38Å; F288-I296 HydrophobicContact CD1-CG1 4.29Å; F288-I296 HydrophobicContact CD1-CG2 4.09Å; F288-I296 HydrophobicContact CE1-CB 4.21Å; F288-I296 HydrophobicContact CE1-CG2 3.73Å; D291-I296 HydrophobicContact CB-CD1 4.3Å; H293-I296 HydrophobicContact CB-CD1 4.14Å; H293-I296 HydrophobicContact CB-CG1 4.11Å; I296-V314 WeakPolarHBondContact O-CA 3.47Å; I296-W315 HydrophobicContact CB-CB 4.35Å; I296-W315 PolarHBondContact N-O 2.97Å; I296-W315 PolarHBondContact O-N 2.9Å |
| 297 | V | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 125.6 | 179.9 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | V163 L264 V276 D277 Y278 T279 G299 V314 | V163-V297 HydrophobicContact CG2-CG2 4.15Å; L264-V297 HydrophobicContact CD1-CB 4.46Å; L264-V297 HydrophobicContact CD1-CG1 3.69Å; L264-V297 HydrophobicContact CD1-CG2 4.19Å; V276-V297 HydrophobicContact CG1-CG2 4.41Å; D277-V297 PolarHBondContact O-N 3.08Å; Y278-V297 HydrophobicContact CD2-CB 4.08Å; Y278-V297 HydrophobicContact CD2-CG1 4.15Å; Y278-V297 HydrophobicContact CE2-CG1 4.4Å; T279-V297 PolarHBondContact N-O 3.49Å; V297-G299 PolarHBondContact O-N 3.36Å; V297-V314 HydrophobicContact CG2-CG1 4.38Å; V297-V314 HydrophobicContact CG2-CG2 4.37Å |
| 298 | D | 98.1 | Very high | 97.6 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 98.7 | 170.5 | -175.4 | -18.4 | 0 | 0 | 0 | 110.1 | T300 Q301 L313 | D298-T300 PolarHBondContact O-N 2.84Å; D298-T300 WeakPolarHBondContact OD1-CB 3.42Å; D298-T300 PolarHBondContact OD1-N 2.94Å; D298-T300 PolarHBondContact OD1-OG1 3.12Å; D298-Q301 HydrophobicContact CB-CB 4.47Å; D298-Q301 HydrophobicContact CB-CG 4.19Å; D298-Q301 PolarHBondContact O-N 3.12Å; D298-Q301 VanDerWaalsContact O-N 3.08Å; D298-Q301 WeakPolarHBondContact OD2-CG 3.42Å; D298-L313 HydrophobicContact CB-CB 4.47Å; D298-L313 PolarHBondContact N-O 3.49Å |
| 299 | G | 97.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | -23.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N261 Y278 T279 V297 Q301 T302 | N261-G299 PolarHBondContact ND2-O 3.18Å; Y278-G299 WeakPolarHBondContact OH-CA 3.33Å; T279-G299 PolarHBondContact O-N 2.79Å; V297-G299 PolarHBondContact O-N 3.36Å; G299-Q301 PolarHBondContact O-N 2.96Å; G299-T302 PolarHBondContact O-N 3.31Å |
| 300 | T | 96.8 | Very high | 97.7 | Very high | 53 Ų | 53 | 39.8 Ų | 39.8 | 33% | 0.325 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -19.4 | 178 | 76.8 | 0 | 0 | 0 | 0 | 112.1 | E280 D298 R303 | E280-T300 HydrophobicContact CB-CG2 3.94Å; E280-T300 HydrophobicContact CG-CG2 4.43Å; E280-T300 VanDerWaalsContact O-CG2 3.25Å; E280-T300 WeakPolarHBondContact O-CG2 3.26Å; D298-T300 PolarHBondContact O-N 2.84Å; D298-T300 WeakPolarHBondContact OD1-CB 3.42Å; D298-T300 PolarHBondContact OD1-N 2.94Å; D298-T300 PolarHBondContact OD1-OG1 3.12Å; T300-R303 PolarHBondContact O-NH1 2.92Å; T300-R303 PolarHBondContact O-NH2 3.44Å |
| 301 | Q | 97.3 | Very high | 97.8 | Very high | 80 Ų | 80 | 41 Ų | 41 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -4.3 | -179.6 | -56.1 | -52 | -47.7 | 0 | 0 | 113.5 | D298 G299 R303 L313 | D298-Q301 HydrophobicContact CB-CB 4.47Å; D298-Q301 HydrophobicContact CB-CG 4.19Å; D298-Q301 PolarHBondContact O-N 3.12Å; D298-Q301 VanDerWaalsContact O-N 3.08Å; D298-Q301 WeakPolarHBondContact OD2-CG 3.42Å; G299-Q301 PolarHBondContact O-N 2.96Å; Q301-R303 PolarHBondContact O-N 2.76Å; Q301-L313 HydrophobicContact CB-CB 3.64Å; Q301-L313 HydrophobicContact CB-CD2 4.43Å; Q301-L313 HydrophobicContact CG-CB 4.05Å; Q301-L313 HydrophobicContact CG-CD2 3.91Å |
| 302 | T | 98.2 | Very high | 97.9 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 125.7 | 174.3 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | A257 V260 N261 G299 K311 T312 | A257-T302 HydrophobicContact CB-CG2 4.08Å; V260-T302 HydrophobicContact CB-CG2 4.03Å; V260-T302 HydrophobicContact CG1-CG2 3.91Å; N261-T302 WeakPolarHBondContact OD1-CB 3.35Å; N261-T302 WeakPolarHBondContact OD1-CG2 3.36Å; N261-T302 PolarHBondContact OD1-OG1 3.12Å; G299-T302 PolarHBondContact O-N 3.31Å; T302-K311 CarbonylContact C-O 3.51Å; T302-K311 WeakPolarHBondContact CA-O 2.72Å; T302-T312 HydrophobicContact CG2-CG2 4.35Å |
| 303 | R | 98.4 | Very high | 98 | Very high | 130 Ų | 130 | 38.2 Ų | 38.2 | 49% | 0.491 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 144.5 | 173.3 | -58.6 | -67 | 176 | -88.3 | -4.9 | 108.8 | T300 Q301 K311 | T300-R303 PolarHBondContact O-NH1 2.92Å; T300-R303 PolarHBondContact O-NH2 3.44Å; Q301-R303 PolarHBondContact O-N 2.76Å; R303-K311 HydrophobicContact CB-CB 4.35Å; R303-K311 PolarHBondContact N-O 3.04Å; R303-K311 PolarHBondContact O-N 3.43Å |
| 304 | V | 98.5 | Very high | 98 | Very high | 37 Ų | 37 | 36.6 Ų | 36.6 | 22% | 0.224 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 121.9 | 167.8 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | V255 A257 V260 L309 I310 | V255-V304 HydrophobicContact CG1-CG1 4.14Å; V255-V304 HydrophobicContact CG1-CG2 4.43Å; V255-V304 VanDerWaalsContact O-CG1 3.31Å; V255-V304 WeakPolarHBondContact O-CG1 3.29Å; A257-V304 HydrophobicContact CB-CG2 4.09Å; V260-V304 HydrophobicContact CG2-CG2 4.16Å; V304-L309 CarbonylContact C-O 3.59Å; V304-L309 VanDerWaalsContact CA-O 3.29Å; V304-L309 WeakPolarHBondContact CA-O 3.44Å; V304-I310 HydrophobicContact CG2-CG1 4.26Å |
| 305 | S | 97.9 | Very high | 98.1 | Very high | 77 Ų | 77 | 37.8 Ų | 37.8 | 54% | 0.538 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 134.5 | 177.2 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | A307 H308 L309 | S305-A307 PolarHBondContact O-N 3Å; S305-H308 PolarHBondContact O-N 2.87Å; S305-L309 PolarHBondContact N-O 2.87Å; S305-L309 PolarHBondContact O-N 3.36Å |
| 306 | G | 96.9 | Very high | 98 | Very high | 67 Ų | 67 | 37.9 Ų | 37.9 | 69% | 0.691 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 22.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H308 | G306-H308 PolarHBondContact O-CD2 2.91Å; G306-H308 PolarHBondContact O-N 3.18Å |
| 307 | A | 97.5 | Very high | 97.9 | Very high | 40 Ų | 40 | 37.9 Ų | 37.9 | 33% | 0.331 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | -1.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | P254 V255 S305 | P254-A307 CarbonylContact C-O 3.51Å; P254-A307 WeakPolarHBondContact CA-O 3.24Å; P254-A307 HydrophobicContact CB-CB 4.06Å; V255-A307 PolarHBondContact N-O 3.1Å; V255-A307 WeakPolarHBondContact O-CA 3.39Å; S305-A307 PolarHBondContact O-N 3Å |
| 308 | H | 98.3 | Very high | 97.6 | Very high | 76 Ų | 76 | 38.4 Ų | 38.4 | 35% | 0.352 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | -18.3 | -172.1 | -70 | -76.6 | 0 | 0 | 0 | 114.1 | T250 V251 K252 S305 G306 | T250-H308 CarbonylContact C-O 3.39Å; T250-H308 VanDerWaalsContact CA-O 3.31Å; T250-H308 WeakPolarHBondContact CA-O 3.22Å; V251-H308 WeakPolarHBondContact CG2-O 3.49Å; V251-H308 PolarHBondContact N-O 3.12Å; V251-H308 PolarHBondContact O-ND1 3.45Å; K252-H308 PolarHBondContact O-CE1 3.44Å; S305-H308 PolarHBondContact O-N 2.87Å; G306-H308 PolarHBondContact O-CD2 2.91Å; G306-H308 PolarHBondContact O-N 3.18Å |
| 309 | L | 98.7 | Very high | 97.4 | Very high | 73 Ų | 73 | 38.9 Ų | 38.9 | 38% | 0.382 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 103.5 | 177 | 178.7 | 63.2 | 0 | 0 | 0 | 109.5 | V304 S305 | V304-L309 CarbonylContact C-O 3.59Å; V304-L309 VanDerWaalsContact CA-O 3.29Å; V304-L309 WeakPolarHBondContact CA-O 3.44Å; S305-L309 PolarHBondContact N-O 2.87Å; S305-L309 PolarHBondContact O-N 3.36Å |
| 310 | I | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 137.2 | 175.5 | -55.1 | 172.7 | 0 | 0 | 0 | 108.4 | L167 Y171 S248 V249 V251 V255 V260 V304 T312 | L167-I310 HydrophobicContact CD2-CD1 4.16Å; Y171-I310 HydrophobicContact CD2-CD1 4.16Å; S248-I310 CarbonylContact C-O 3.55Å; S248-I310 VanDerWaalsContact CA-O 3.29Å; S248-I310 WeakPolarHBondContact CA-O 3.28Å; V249-I310 HydrophobicContact CG2-CB 3.95Å; V249-I310 HydrophobicContact CG2-CD1 4.48Å; V249-I310 PolarHBondContact N-O 2.91Å; V249-I310 PolarHBondContact O-N 2.95Å; V251-I310 HydrophobicContact CG1-CD1 3.78Å; V251-I310 HydrophobicContact CG1-CG1 4.45Å; V251-I310 HydrophobicContact CG2-CD1 3.93Å; V251-I310 HydrophobicContact CG2-CG1 4.17Å; V255-I310 HydrophobicContact CG1-CD1 3.83Å; V255-I310 HydrophobicContact CG1-CG1 3.82Å; V260-I310 HydrophobicContact CG1-CG2 4.09Å; V260-I310 HydrophobicContact CG2-CD1 3.88Å; V260-I310 HydrophobicContact CG2-CG1 4.21Å; V260-I310 HydrophobicContact CG2-CG2 4.17Å; V304-I310 HydrophobicContact CG2-CG1 4.26Å; I310-T312 HydrophobicContact CG2-CG2 4.07Å |
| 311 | K | 98.6 | Very high | 97.3 | Very high | 81 Ų | 81 | 36.7 Ų | 36.7 | 35% | 0.352 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 132.4 | 169.8 | 178 | 168.5 | 175.5 | 129.5 | 0 | 109.9 | D246 L247 T302 R303 | D246-K311 WeakPolarHBondContact OD1-CE 2.85Å; D246-K311 IonicContact OD1-NZ 3.59Å; D246-K311 PolarHBondContact OD1-NZ 3.5Å; D246-K311 WeakPolarHBondContact OD2-CE 3.41Å; D246-K311 IonicContact OD2-NZ 3.92Å; D246-K311 PolarHBondContact OD2-NZ 2.73Å; L247-K311 CarbonylContact O-C 3.48Å; L247-K311 VanDerWaalsContact O-CA 3.28Å; L247-K311 WeakPolarHBondContact O-CA 3.46Å; T302-K311 CarbonylContact C-O 3.51Å; T302-K311 WeakPolarHBondContact CA-O 2.72Å; R303-K311 HydrophobicContact CB-CB 4.35Å; R303-K311 PolarHBondContact N-O 3.04Å; R303-K311 PolarHBondContact O-N 3.43Å |
| 312 | T | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 148.2 | -179.6 | 55.7 | 0 | 0 | 0 | 0 | 110.8 | L247 V260 L264 T302 I310 | L247-T312 PolarHBondContact N-O 3.49Å; L247-T312 PolarHBondContact O-N 2.77Å; V260-T312 HydrophobicContact CG1-CG2 4.36Å; L264-T312 HydrophobicContact CD1-CG2 4.4Å; T302-T312 HydrophobicContact CG2-CG2 4.35Å; I310-T312 HydrophobicContact CG2-CG2 4.07Å |
| 313 | L | 98.4 | Very high | 97.3 | Very high | 28 Ų | 28 | 33 Ų | 33 | 15% | 0.147 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 129.2 | 168.4 | -169.2 | 71.3 | 0 | 0 | 0 | 108.9 | A244 D298 Q301 W315 | A244-L313 HydrophobicContact CB-CD1 4.16Å; D298-L313 HydrophobicContact CB-CB 4.47Å; D298-L313 PolarHBondContact N-O 3.49Å; Q301-L313 HydrophobicContact CB-CB 3.64Å; Q301-L313 HydrophobicContact CB-CD2 4.43Å; Q301-L313 HydrophobicContact CG-CB 4.05Å; Q301-L313 HydrophobicContact CG-CD2 3.91Å; L313-W315 HydrophobicContact CD2-CZ2 3.71Å |
| 314 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126.3 | -177.7 | -167.2 | 0 | 0 | 0 | 0 | 109.2 | C159 I160 V163 A244 I245 A295 I296 V297 | C159-V314 VanDerWaalsContact SG-CG1 3.55Å; I160-V314 HydrophobicContact CD1-CG2 4.17Å; V163-V314 HydrophobicContact CG1-CG2 4.42Å; V163-V314 HydrophobicContact CG2-CG1 4.26Å; V163-V314 HydrophobicContact CG2-CG2 4.29Å; A244-V314 CarbonylContact C-O 3.46Å; I245-V314 PolarHBondContact N-O 3.41Å; I245-V314 PolarHBondContact O-N 3.2Å; A295-V314 HydrophobicContact CB-CG1 3.72Å; I296-V314 WeakPolarHBondContact O-CA 3.47Å; V297-V314 HydrophobicContact CG2-CG1 4.38Å; V297-V314 HydrophobicContact CG2-CG2 4.37Å |
| 315 | W | 98.1 | Very high | 97.2 | Very high | 31 Ų | 31 | 26.3 Ų | 26.3 | 12% | 0.117 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 146.7 | 176.7 | -57.9 | 97.8 | 0 | 0 | 0 | 110.5 | V242 T243 A244 F288 A295 I296 L313 | V242-W315 HydrophobicContact CG1-CE3 3.96Å; T243-W315 WeakPolarHBondContact O-CA 3.34Å; A244-W315 HydrophobicContact CB-CD2 4.37Å; A244-W315 HydrophobicContact CB-CE3 3.7Å; A244-W315 HydrophobicContact CB-CH2 4.09Å; A244-W315 HydrophobicContact CB-CZ3 3.55Å; F288-W315 HydrophobicContact CB-CB 4.48Å; F288-W315 HydrophobicContact CD1-CB 4.2Å; F288-W315 HydrophobicContact CD1-CG 4.46Å; F288-W315 HydrophobicContact CD2-CB 3.88Å; F288-W315 AromaticContact CD2-CD2 3.74Å; F288-W315 HydrophobicContact CD2-CD2 3.74Å; F288-W315 HydrophobicContact CD2-CE3 4.07Å; F288-W315 AromaticContact CD2-CG 3.65Å; F288-W315 HydrophobicContact CD2-CG 3.65Å; F288-W315 HydrophobicContact CE1-CB 4.41Å; F288-W315 HydrophobicContact CE1-CG 4.28Å; F288-W315 HydrophobicContact CE2-CB 4.11Å; F288-W315 AromaticContact CE2-CD1 3.47Å; F288-W315 VanDerWaalsContact CE2-CD1 3.47Å; F288-W315 AromaticContact CE2-CD2 3.5Å; F288-W315 HydrophobicContact CE2-CD2 3.5Å; F288-W315 AromaticContact CE2-CE2 3.59Å; F288-W315 HydrophobicContact CE2-CE3 4.19Å; F288-W315 AromaticContact CE2-CG 3.44Å; F288-W315 HydrophobicContact CE2-CG 3.44Å; F288-W315 VanDerWaalsContact CE2-CG 3.44Å; F288-W315 HydrophobicContact CE2-CZ2 4.32Å; F288-W315 AromaticContact CE2-NE1 3.55Å; F288-W315 HydrophobicContact CG-CB 3.92Å; F288-W315 HydrophobicContact CG-CG 4.16Å; F288-W315 HydrophobicContact CZ-CB 4.36Å; F288-W315 AromaticContact CZ-CD1 3.4Å; F288-W315 HydrophobicContact CZ-CD2 4.25Å; F288-W315 AromaticContact CZ-CG 3.77Å; F288-W315 HydrophobicContact CZ-CG 3.77Å; F288-W315 AromaticContact CZ-NE1 3.67Å; A295-W315 CarbonylContact C-O 3.6Å; A295-W315 WeakPolarHBondContact CA-O 3.41Å; I296-W315 HydrophobicContact CB-CB 4.35Å; I296-W315 PolarHBondContact N-O 2.97Å; I296-W315 PolarHBondContact O-N 2.9Å; L313-W315 HydrophobicContact CD2-CZ2 3.71Å |
| 316 | C | 96.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 139.2 | 166.3 | 66 | 0 | 0 | 0 | 0 | 112 | C159 V242 T243 S294 N318 | C159-C316 HydrophobicContact CB-CB 3.7Å; V242-C316 WeakPolarHBondContact CA-O 3.39Å; T243-C316 PolarHBondContact N-O 2.85Å; T243-C316 PolarHBondContact O-N 2.69Å; S294-C316 WeakPolarHBondContact O-CB 3.38Å; C316-N318 PolarHBondContact O-N 3.39Å |
| 317 | D | 96.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.011 | 10% | 0.098 | C | C | . | . | trans | -69.8 | 126.6 | 164.2 | -168.2 | -57 | 0 | 0 | 0 | 109.5 | H54 N241 N289 H290 E319 W320 | H54-D317 IonicContact CE1-OD1 2.65Å; H54-D317 IonicContact CE1-OD2 3.91Å; N241-D317 PolarHBondContact ND2-OD1 2.83Å; N241-D317 PolarHBondContact ND2-OD2 3.05Å; N289-D317 WeakPolarHBondContact CA-OD2 3.26Å; H290-D317 PolarHBondContact N-OD2 3.25Å; D317-E319 PolarHBondContact O-N 3.45Å; D317-E319 PolarHBondContact OD1-N 3.32Å; D317-W320 HydrophobicContact CB-CB 4.14Å; D317-W320 VanDerWaalsContact CG-CB 3.5Å; D317-W320 PolarHBondContact OD1-N 2.93Å | ||
| 318 | N | 93.2 | Very high | 97.2 | Very high | 12 Ų | 12 | 18.4 Ų | 18.4 | 6% | 0.064 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -19.3 | -173.4 | -58.9 | -46.5 | 0 | 0 | 0 | 113.1 | C155 S183 N241 V242 T243 C316 | C155-N318 VanDerWaalsContact CB-O 3.32Å; C155-N318 WeakPolarHBondContact CB-O 3.45Å; S183-N318 PolarHBondContact OG-ND2 3.44Å; N241-N318 WeakPolarHBondContact OD1-CB 3.42Å; N241-N318 PolarHBondContact OD1-N 3.05Å; N241-N318 PolarHBondContact OD1-ND2 3.13Å; N241-N318 VanDerWaalsContact OD1-ND2 3.1Å; V242-N318 PolarHBondContact N-ND2 2.78Å; T243-N318 WeakPolarHBondContact CB-OD1 2.98Å; T243-N318 PolarHBondContact OG1-OD1 3.39Å; C316-N318 PolarHBondContact O-N 3.39Å |
| 319 | E | 93.7 | Very high | 97.2 | Very high | 17 Ų | 17 | 14.8 Ų | 14.8 | 8% | 0.079 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | -47.6 | -168.3 | -62.2 | 169.6 | -162.3 | 0 | 0 | 111.7 | R12 I13 N16 H54 D317 A323 | R12-E319 IonicContact CZ-OE1 3.96Å; R12-E319 IonicContact NE-OE1 3.38Å; R12-E319 PolarHBondContact NE-OE1 3.49Å; R12-E319 IonicContact NE-OE2 2.7Å; R12-E319 IonicContact NH2-OE1 2.98Å; R12-E319 PolarHBondContact NH2-OE1 3.38Å; R12-E319 IonicContact NH2-OE2 3.72Å; I13-E319 HydrophobicContact CD1-CB 4.18Å; I13-E319 HydrophobicContact CD1-CG 4.12Å; N16-E319 WeakPolarHBondContact ND2-CB 3.48Å; N16-E319 PolarHBondContact ND2-OE2 2.82Å; H54-E319 IonicContact CD2-OE2 2.73Å; H54-E319 IonicContact NE2-OE2 3.35Å; H54-E319 PolarHBondContact NE2-OE2 3.12Å; H54-E319 VanDerWaalsContact NE2-OE2 3.11Å; D317-E319 PolarHBondContact O-N 3.45Å; D317-E319 PolarHBondContact OD1-N 3.32Å; E319-A323 WeakPolarHBondContact O-CB 3.43Å; E319-A323 PolarHBondContact O-N 3.46Å |
| 320 | W | 96.5 | Very high | 97.1 | Very high | 11 Ų | 11 | 11.3 Ų | 11.3 | 4% | 0.042 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -74.2 | -54.7 | -171.4 | -167.5 | -108.4 | 0 | 0 | 0 | 112.4 | N16 R19 A20 E23 H290 D317 F322 A323 N324 | N16-W320 HydrophobicContact CB-CE3 4.24Å; R19-W320 HydrophobicContact CB-CH2 3.75Å; R19-W320 HydrophobicContact CB-CZ3 3.54Å; A20-W320 HydrophobicContact CB-CH2 4.22Å; A20-W320 HydrophobicContact CB-CZ2 4.41Å; A20-W320 HydrophobicContact CB-CZ3 4.44Å; E23-W320 HydrophobicContact CB-CH2 4.43Å; E23-W320 HydrophobicContact CB-CZ2 4.35Å; E23-W320 HydrophobicContact CG-CH2 4.43Å; E23-W320 WeakPolarHBondContact OE2-CH2 3.45Å; E23-W320 WeakPolarHBondContact OE2-CZ2 3.38Å; H290-W320 AromaticContact CD2-CE2 3.81Å; H290-W320 AromaticContact CD2-CZ2 3.93Å; H290-W320 AromaticContact CD2-NE1 3.94Å; H290-W320 AromaticContact CE1-CD2 3.5Å; H290-W320 VanDerWaalsContact CE1-CD2 3.5Å; H290-W320 AromaticContact CE1-CE2 3.51Å; H290-W320 AromaticContact CE1-CE3 3.36Å; H290-W320 AromaticContact CE1-CH2 3.29Å; H290-W320 WeakPolarHBondContact CE1-CH2 3.43Å; H290-W320 AromaticContact CE1-CZ2 3.43Å; H290-W320 VanDerWaalsContact CE1-CZ2 3.43Å; H290-W320 WeakPolarHBondContact CE1-CZ2 3.45Å; H290-W320 AromaticContact CE1-CZ3 3.26Å; H290-W320 WeakPolarHBondContact CE1-CZ3 3.24Å; H290-W320 AromaticContact CG-CE2 3.98Å; H290-W320 AromaticContact ND1-CD2 3.5Å; H290-W320 AromaticContact ND1-CE2 3.79Å; H290-W320 AromaticContact ND1-CE3 3.61Å; H290-W320 AromaticContact ND1-CG 3.93Å; H290-W320 AromaticContact ND1-CZ3 3.99Å; H290-W320 AromaticContact NE2-CE2 3.54Å; H290-W320 AromaticContact NE2-CH2 3.47Å; H290-W320 WeakPolarHBondContact NE2-CH2 3.33Å; H290-W320 AromaticContact NE2-CZ2 3.26Å; H290-W320 VanDerWaalsContact NE2-CZ2 3.26Å; H290-W320 WeakPolarHBondContact NE2-CZ2 3.43Å; H290-W320 AromaticContact NE2-CZ3 3.94Å; H290-W320 PolarHBondContact O-NE1 2.98Å; D317-W320 HydrophobicContact CB-CB 4.14Å; D317-W320 VanDerWaalsContact CG-CB 3.5Å; D317-W320 PolarHBondContact OD1-N 2.93Å; W320-F322 PolarHBondContact O-N 2.9Å; W320-A323 PolarHBondContact O-N 3.39Å; W320-A323 VanDerWaalsContact O-N 3.15Å; W320-N324 PolarHBondContact O-N 2.86Å; W320-N324 PolarHBondContact O-ND2 3.29Å |
| 321 | G | 95.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -57.3 | -38.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D291 N324 R325 | D291-G321 PolarHBondContact O-N 2.98Å; G321-N324 PolarHBondContact O-N 3.02Å; G321-R325 WeakPolarHBondContact O-CG 3.29Å; G321-R325 PolarHBondContact O-N 2.94Å; G321-R325 VanDerWaalsContact O-N 3.15Å |
| 322 | F | 96.7 | Very high | 96.7 | Very high | 7 Ų | 7 | 8.7 Ų | 8.7 | 3% | 0.031 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -68.1 | -40.4 | 176.1 | -174.2 | -103.4 | 0 | 0 | 0 | 113.5 | I13 S123 N152 C155 W320 N324 R325 M326 | I13-F322 HydrophobicContact CD1-CD1 3.98Å; I13-F322 HydrophobicContact CG1-CD1 4.48Å; I13-F322 HydrophobicContact CG2-CD1 4.14Å; I13-F322 HydrophobicContact CG2-CE1 4.13Å; S123-F322 VanDerWaalsContact O-CE1 3.29Å; S123-F322 WeakPolarHBondContact O-CE1 3.32Å; S123-F322 VanDerWaalsContact O-CZ 3.24Å; S123-F322 WeakPolarHBondContact O-CZ 3.26Å; N152-F322 HydrophobicContact CB-CE2 4.46Å; N152-F322 HydrophobicContact CB-CZ 4.23Å; N152-F322 WeakPolarHBondContact O-CE2 3.42Å; C155-F322 HydrophobicContact CB-CB 4Å; C155-F322 HydrophobicContact CB-CD2 4.1Å; C155-F322 HydrophobicContact CB-CG 4.16Å; W320-F322 PolarHBondContact O-N 2.9Å; F322-N324 VanDerWaalsContact C-N 3.32Å; F322-N324 PolarHBondContact O-N 2.93Å; F322-R325 WeakPolarHBondContact O-CB 2.98Å; F322-R325 PolarHBondContact O-N 3.03Å; F322-R325 VanDerWaalsContact O-N 3.17Å; F322-M326 HydrophobicContact CD1-CG 4.21Å; F322-M326 HydrophobicContact CE1-CG 3.91Å; F322-M326 HydrophobicContact CE1-SD 4.14Å; F322-M326 HydrophobicContact CZ-CG 4.37Å; F322-M326 HydrophobicContact CZ-SD 4.21Å; F322-M326 PolarHBondContact O-N 2.79Å |
| 323 | A | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -62.9 | -38.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N16 V17 A20 E319 W320 R325 M326 L327 | N16-A323 HydrophobicContact CB-CB 3.81Å; V17-A323 HydrophobicContact CG2-CB 3.99Å; A20-A323 HydrophobicContact CB-CB 4.36Å; E319-A323 WeakPolarHBondContact O-CB 3.43Å; E319-A323 PolarHBondContact O-N 3.46Å; W320-A323 PolarHBondContact O-N 3.39Å; W320-A323 VanDerWaalsContact O-N 3.15Å; A323-R325 VanDerWaalsContact C-N 3.34Å; A323-R325 PolarHBondContact O-N 3.21Å; A323-M326 WeakPolarHBondContact O-CB 3.3Å; A323-M326 PolarHBondContact O-N 3.01Å; A323-L327 PolarHBondContact O-N 3.38Å |
| 324 | N | 98 | Very high | 96.1 | Very high | 15 Ų | 15 | 7.8 Ų | 7.8 | 8% | 0.08 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -62 | -42.1 | 172.6 | -77.1 | -82.4 | 0 | 0 | 0 | 111.5 | W320 G321 F322 M326 L327 D328 | W320-N324 PolarHBondContact O-N 2.86Å; W320-N324 PolarHBondContact O-ND2 3.29Å; G321-N324 PolarHBondContact O-N 3.02Å; F322-N324 VanDerWaalsContact C-N 3.32Å; F322-N324 PolarHBondContact O-N 2.93Å; N324-M326 VanDerWaalsContact C-N 3.32Å; N324-M326 PolarHBondContact O-N 3.31Å; N324-L327 WeakPolarHBondContact O-CB 3.48Å; N324-L327 PolarHBondContact O-N 3.47Å; N324-L327 VanDerWaalsContact O-N 3.16Å; N324-D328 PolarHBondContact O-N 3.29Å |
| 325 | R | 97.3 | Very high | 95.1 | Very high | 13 Ų | 13 | 10.1 Ų | 10.1 | 5% | 0.049 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -65.2 | -31.9 | 173.5 | -63.4 | -58.3 | 86.5 | 93.1 | -10.1 | 113.7 | N152 G274 P292 S294 G321 F322 A323 L327 D328 T329 | N152-R325 PolarHBondContact ND2-O 2.75Å; G274-R325 PolarHBondContact O-NH1 2.92Å; G274-R325 VanDerWaalsContact O-NH1 3.08Å; G274-R325 PolarHBondContact O-NH2 3.43Å; P292-R325 PolarHBondContact O-NH1 2.72Å; S294-R325 WeakPolarHBondContact OG-CD 3.45Å; S294-R325 WeakPolarHBondContact OG-CG 3.39Å; S294-R325 PolarHBondContact OG-NH1 3.16Å; G321-R325 WeakPolarHBondContact O-CG 3.29Å; G321-R325 PolarHBondContact O-N 2.94Å; G321-R325 VanDerWaalsContact O-N 3.15Å; F322-R325 WeakPolarHBondContact O-CB 2.98Å; F322-R325 PolarHBondContact O-N 3.03Å; F322-R325 VanDerWaalsContact O-N 3.17Å; A323-R325 VanDerWaalsContact C-N 3.34Å; A323-R325 PolarHBondContact O-N 3.21Å; R325-L327 VanDerWaalsContact C-N 3.31Å; R325-D328 IonicContact CZ-OD2 2.69Å; R325-D328 IonicContact NE-OD2 2.65Å; R325-D328 PolarHBondContact NE-OD2 3.15Å; R325-D328 IonicContact NH2-OD2 3.06Å; R325-D328 PolarHBondContact NH2-OD2 2.8Å; R325-D328 PolarHBondContact O-N 3.34Å; R325-T329 WeakPolarHBondContact O-CB 3.46Å; R325-T329 PolarHBondContact O-N 2.86Å; R325-T329 PolarHBondContact O-OG1 2.84Å |
| 326 | M | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.7 | -41.2 | 172.7 | -75 | -71.7 | -66.7 | 0 | 0 | 111 | V17 L97 L121 N152 F322 A323 N324 T330 | V17-M326 HydrophobicContact CG2-CB 3.95Å; V17-M326 HydrophobicContact CG2-CG 4.31Å; L97-M326 HydrophobicContact CB-CE 4.16Å; L97-M326 HydrophobicContact CD2-CE 3.67Å; L97-M326 HydrophobicContact CG-CE 4.33Å; L121-M326 HydrophobicContact CD2-CE 3.96Å; L121-M326 HydrophobicContact CD2-SD 4.04Å; L121-M326 HydrophobicContact CG-CE 3.96Å; L121-M326 HydrophobicContact CG-SD 4.2Å; N152-M326 HydrophobicContact CB-SD 3.46Å; N152-M326 WeakPolarHBondContact CB-SD 3.49Å; N152-M326 PolarHBondContact ND2-N 3.36Å; N152-M326 PolarHBondContact ND2-SD 2.97Å; N152-M326 VanDerWaalsContact ND2-SD 3.39Å; F322-M326 HydrophobicContact CD1-CG 4.21Å; F322-M326 HydrophobicContact CE1-CG 3.91Å; F322-M326 HydrophobicContact CE1-SD 4.14Å; F322-M326 HydrophobicContact CZ-CG 4.37Å; F322-M326 HydrophobicContact CZ-SD 4.21Å; F322-M326 PolarHBondContact O-N 2.79Å; A323-M326 WeakPolarHBondContact O-CB 3.3Å; A323-M326 PolarHBondContact O-N 3.01Å; N324-M326 VanDerWaalsContact C-N 3.32Å; N324-M326 PolarHBondContact O-N 3.31Å; M326-T330 WeakPolarHBondContact O-CB 3.31Å; M326-T330 PolarHBondContact O-N 3.25Å; M326-T330 PolarHBondContact O-OG1 2.91Å |
| 327 | L | 98 | Very high | 91.4 | Very high | 2 Ų | 2 | 12 Ų | 12 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.4 | -44.3 | 175.2 | -61.3 | 175.2 | 0 | 0 | 0 | 111.6 | V17 A20 L21 I30 A323 N324 R325 T330 L331 | V17-L327 HydrophobicContact CG1-CD2 3.91Å; A20-L327 HydrophobicContact CB-CD1 3.86Å; L21-L327 HydrophobicContact CB-CD1 4.22Å; L21-L327 HydrophobicContact CB-CD2 4.26Å; I30-L327 HydrophobicContact CD1-CB 4.22Å; I30-L327 HydrophobicContact CD1-CD2 3.85Å; A323-L327 PolarHBondContact O-N 3.38Å; N324-L327 WeakPolarHBondContact O-CB 3.48Å; N324-L327 PolarHBondContact O-N 3.47Å; N324-L327 VanDerWaalsContact O-N 3.16Å; R325-L327 VanDerWaalsContact C-N 3.31Å; L327-T330 WeakPolarHBondContact O-CB 3.23Å; L327-T330 PolarHBondContact O-N 3.3Å; L327-L331 PolarHBondContact O-N 2.97Å |
| 328 | D | 96.9 | Very high | 88.7 | Confident | 16 Ų | 16 | 15.6 Ų | 15.6 | 9% | 0.086 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.6 | -47.8 | 178.5 | -66.7 | -29.1 | 0 | 0 | 0 | 112.4 | R26 Y136 N324 R325 T330 L331 A332 | R26-D328 IonicContact CZ-OD1 3.79Å; R26-D328 IonicContact NH1-OD1 3.53Å; R26-D328 PolarHBondContact NH1-OD1 2.92Å; R26-D328 IonicContact NH2-OD1 3.57Å; R26-D328 PolarHBondContact NH2-OD1 3.34Å; R26-D328 VanDerWaalsContact NH2-OD1 3.15Å; Y136-D328 HydrophobicContact CD1-CB 3.77Å; Y136-D328 HydrophobicContact CD2-CB 3.66Å; Y136-D328 HydrophobicContact CE1-CB 3.83Å; Y136-D328 HydrophobicContact CE2-CB 3.69Å; Y136-D328 WeakPolarHBondContact CE2-O 3.31Å; Y136-D328 HydrophobicContact CG-CB 3.71Å; N324-D328 PolarHBondContact O-N 3.29Å; R325-D328 IonicContact CZ-OD2 2.69Å; R325-D328 IonicContact NE-OD2 2.65Å; R325-D328 PolarHBondContact NE-OD2 3.15Å; R325-D328 IonicContact NH2-OD2 3.06Å; R325-D328 PolarHBondContact NH2-OD2 2.8Å; R325-D328 PolarHBondContact O-N 3.34Å; D328-T330 VanDerWaalsContact C-N 3.31Å; D328-T330 PolarHBondContact O-N 2.71Å; D328-L331 PolarHBondContact O-N 2.75Å; D328-A332 PolarHBondContact O-N 3.27Å |
| 329 | T | 97 | Very high | 86 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.1 | -34.5 | 176.5 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | L121 V134 N152 R325 A332 M333 | L121-T329 HydrophobicContact CD1-CG2 3.79Å; L121-T329 HydrophobicContact CD2-CG2 3.79Å; L121-T329 HydrophobicContact CG-CG2 4.47Å; V134-T329 HydrophobicContact CB-CG2 4.02Å; V134-T329 HydrophobicContact CG1-CG2 4Å; V134-T329 HydrophobicContact CG2-CG2 4.46Å; N152-T329 VanDerWaalsContact OD1-CB 3.28Å; N152-T329 WeakPolarHBondContact OD1-CB 3.48Å; N152-T329 PolarHBondContact OD1-OG1 3.32Å; R325-T329 WeakPolarHBondContact O-CB 3.46Å; R325-T329 PolarHBondContact O-N 2.86Å; R325-T329 PolarHBondContact O-OG1 2.84Å; T329-A332 PolarHBondContact O-N 2.9Å; T329-M333 HydrophobicContact CG2-CG 4.29Å; T329-M333 HydrophobicContact CG2-SD 4.18Å; T329-M333 WeakPolarHBondContact O-CB 3.49Å; T329-M333 VanDerWaalsContact O-CG 3.27Å; T329-M333 WeakPolarHBondContact O-CG 3.4Å; T329-M333 PolarHBondContact O-N 3.47Å |
| 330 | T | 97.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.6 | -48.8 | 173.3 | -62.1 | 0 | 0 | 0 | 0 | 111 | V3 V5 I30 V95 L97 M326 L327 D328 M333 A334 | V3-T330 HydrophobicContact CG1-CG2 4.41Å; V5-T330 HydrophobicContact CG2-CG2 3.78Å; I30-T330 HydrophobicContact CD1-CG2 4.25Å; V95-T330 HydrophobicContact CB-CG2 4.13Å; V95-T330 HydrophobicContact CG1-CG2 4.23Å; V95-T330 HydrophobicContact CG2-CG2 4.2Å; L97-T330 WeakPolarHBondContact CD2-OG1 3.37Å; M326-T330 WeakPolarHBondContact O-CB 3.31Å; M326-T330 PolarHBondContact O-N 3.25Å; M326-T330 PolarHBondContact O-OG1 2.91Å; L327-T330 WeakPolarHBondContact O-CB 3.23Å; L327-T330 PolarHBondContact O-N 3.3Å; D328-T330 VanDerWaalsContact C-N 3.31Å; D328-T330 PolarHBondContact O-N 2.71Å; T330-M333 PolarHBondContact O-N 2.73Å; T330-A334 WeakPolarHBondContact O-CB 3.44Å; T330-A334 PolarHBondContact O-N 2.75Å |
| 331 | L | 95 | Very high | 80.6 | Confident | 24 Ų | 24 | 23.3 Ų | 23.3 | 13% | 0.126 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.6 | -40.8 | 176.6 | -72.5 | -166.8 | 0 | 0 | 0 | 112.1 | V3 E29 I30 L327 D328 M333 A334 T335 | V3-L331 HydrophobicContact CG2-CD2 3.93Å; E29-L331 HydrophobicContact CB-CD1 4.08Å; E29-L331 HydrophobicContact CB-CD2 4.14Å; E29-L331 HydrophobicContact CG-CD1 4.47Å; E29-L331 WeakPolarHBondContact OE2-CD1 3.44Å; I30-L331 HydrophobicContact CD1-CD2 3.84Å; I30-L331 HydrophobicContact CD1-CG 3.94Å; I30-L331 HydrophobicContact CG1-CD2 3.56Å; I30-L331 HydrophobicContact CG1-CG 4.22Å; L327-L331 PolarHBondContact O-N 2.97Å; D328-L331 PolarHBondContact O-N 2.75Å; L331-M333 PolarHBondContact O-N 2.92Å; L331-A334 PolarHBondContact O-N 2.79Å; L331-T335 WeakPolarHBondContact O-CB 3.36Å; L331-T335 PolarHBondContact O-N 3.25Å; L331-T335 PolarHBondContact O-OG1 3.08Å |
| 332 | A | 93.2 | Very high | 78 | Confident | 2 Ų | 2 | 27 Ų | 27 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.4 | -46 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y136 Q140 L143 D328 T329 A334 T335 V336 | Y136-A332 HydrophobicContact CD2-CB 4.46Å; Y136-A332 HydrophobicContact CE2-CB 4.02Å; Q140-A332 HydrophobicContact CB-CB 4.42Å; L143-A332 HydrophobicContact CD1-CB 3.87Å; D328-A332 PolarHBondContact O-N 3.27Å; T329-A332 PolarHBondContact O-N 2.9Å; A332-A334 PolarHBondContact O-N 2.9Å; A332-T335 WeakPolarHBondContact CA-OG1 3.17Å; A332-T335 CarbonylContact O-C 3.55Å; A332-T335 PolarHBondContact O-N 3.2Å; A332-T335 PolarHBondContact O-OG1 3.07Å; A332-V336 WeakPolarHBondContact O-CB 3.47Å; A332-V336 WeakPolarHBondContact O-CG2 3.5Å; A332-V336 PolarHBondContact O-N 2.85Å |
| 333 | M | 94.4 | Very high | 76.1 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 178 | -73.9 | 178.8 | 65.1 | 0 | 0 | 112.7 | K119 V120 L121 L143 V150 T329 T330 L331 | K119-M333 HydrophobicContact CB-CE 3.93Å; K119-M333 HydrophobicContact CD-CB 4.29Å; K119-M333 HydrophobicContact CD-CE 4.18Å; K119-M333 WeakPolarHBondContact CE-O 3.42Å; K119-M333 PolarHBondContact NZ-O 3.39Å; V120-M333 WeakPolarHBondContact O-CE 3.27Å; L121-M333 HydrophobicContact CB-CE 4.46Å; L121-M333 HydrophobicContact CB-SD 3.87Å; L121-M333 HydrophobicContact CD1-SD 3.81Å; L121-M333 HydrophobicContact CD2-SD 4.28Å; L121-M333 HydrophobicContact CG-SD 4.2Å; L143-M333 HydrophobicContact CD1-CG 3.93Å; L143-M333 HydrophobicContact CD2-CG 4.35Å; V150-M333 HydrophobicContact CB-CE 3.66Å; V150-M333 HydrophobicContact CB-SD 3.62Å; V150-M333 HydrophobicContact CG1-SD 3.96Å; V150-M333 HydrophobicContact CG2-CE 3.58Å; V150-M333 HydrophobicContact CG2-CG 4.38Å; V150-M333 HydrophobicContact CG2-SD 3.93Å; T329-M333 HydrophobicContact CG2-CG 4.29Å; T329-M333 HydrophobicContact CG2-SD 4.18Å; T329-M333 WeakPolarHBondContact O-CB 3.49Å; T329-M333 VanDerWaalsContact O-CG 3.27Å; T329-M333 WeakPolarHBondContact O-CG 3.4Å; T329-M333 PolarHBondContact O-N 3.47Å; T330-M333 PolarHBondContact O-N 2.73Å; L331-M333 PolarHBondContact O-N 2.92Å |
| 334 | A | 90.5 | Very high | 74.9 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.6 | -52.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110 | V3 T330 L331 A332 V336 A337 F338 | V3-A334 HydrophobicContact CB-CB 4.41Å; V3-A334 HydrophobicContact CG1-CB 3.91Å; V3-A334 HydrophobicContact CG2-CB 3.54Å; T330-A334 WeakPolarHBondContact O-CB 3.44Å; T330-A334 PolarHBondContact O-N 2.75Å; L331-A334 PolarHBondContact O-N 2.79Å; A332-A334 PolarHBondContact O-N 2.9Å; A334-V336 VanDerWaalsContact C-N 3.27Å; A334-V336 PolarHBondContact O-N 3.39Å; A334-A337 WeakPolarHBondContact O-CB 3.06Å; A334-A337 PolarHBondContact O-N 2.83Å; A334-A337 VanDerWaalsContact O-N 3.15Å; A334-F338 WeakPolarHBondContact O-CD2 3.43Å |
| 335 | T | 77.3 | Confident | 74.5 | Confident | 49 Ų | 49 | 32.6 Ų | 32.6 | 30% | 0.301 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.4 | -23.9 | 177.9 | 45.3 | 0 | 0 | 0 | 0 | 113.2 | L331 A332 A337 F338 R339 | L331-T335 WeakPolarHBondContact O-CB 3.36Å; L331-T335 PolarHBondContact O-N 3.25Å; L331-T335 PolarHBondContact O-OG1 3.08Å; A332-T335 WeakPolarHBondContact CA-OG1 3.17Å; A332-T335 CarbonylContact O-C 3.55Å; A332-T335 PolarHBondContact O-N 3.2Å; A332-T335 PolarHBondContact O-OG1 3.07Å; T335-A337 PolarHBondContact O-N 2.84Å; T335-F338 CarbonylContact O-C 3.59Å; T335-F338 WeakPolarHBondContact O-CA 3.49Å; T335-F338 WeakPolarHBondContact O-CB 3.49Å; T335-F338 PolarHBondContact O-N 3.23Å; T335-R339 WeakPolarHBondContact O-CA 3.46Å; T335-R339 WeakPolarHBondContact O-CB 3.44Å; T335-R339 WeakPolarHBondContact O-CG 3.19Å; T335-R339 PolarHBondContact O-N 2.91Å |
| 336 | V | 68 | Low | 74.3 | Confident | 11 Ų | 11 | 34.1 Ų | 34.1 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.9 | -23.6 | 176.6 | 169.1 | 0 | 0 | 0 | 0 | 112.2 | L143 R144 A332 A334 F338 | L143-V336 HydrophobicContact CB-CB 4.31Å; L143-V336 HydrophobicContact CB-CG1 4.2Å; L143-V336 HydrophobicContact CB-CG2 3.6Å; L143-V336 HydrophobicContact CD1-CG2 4.43Å; L143-V336 VanDerWaalsContact O-CG1 3.25Å; L143-V336 WeakPolarHBondContact O-CG1 3.49Å; R144-V336 VanDerWaalsContact O-CG1 3.27Å; R144-V336 WeakPolarHBondContact O-CG1 3.4Å; A332-V336 WeakPolarHBondContact O-CB 3.47Å; A332-V336 WeakPolarHBondContact O-CG2 3.5Å; A332-V336 PolarHBondContact O-N 2.85Å; A334-V336 VanDerWaalsContact C-N 3.27Å; A334-V336 PolarHBondContact O-N 3.39Å; V336-F338 PolarHBondContact O-N 2.96Å |
| 337 | A | 49.1 | Very low | 74.2 | Confident | 61 Ų | 61 | 37.1 Ų | 37.1 | 50% | 0.504 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -17.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A334 T335 | A334-A337 WeakPolarHBondContact O-CB 3.06Å; A334-A337 PolarHBondContact O-N 2.83Å; A334-A337 VanDerWaalsContact O-N 3.15Å; T335-A337 PolarHBondContact O-N 2.84Å |
| 338 | F | 39.4 | Very low | 74.1 | Confident | 77 Ų | 77 | 37.1 Ų | 37.1 | 34% | 0.338 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116 | -6.3 | -177.2 | -58.4 | -72.9 | 0 | 0 | 0 | 115 | A334 T335 V336 G340 F341 T342 E522 | A334-F338 WeakPolarHBondContact O-CD2 3.43Å; T335-F338 CarbonylContact O-C 3.59Å; T335-F338 WeakPolarHBondContact O-CA 3.49Å; T335-F338 WeakPolarHBondContact O-CB 3.49Å; T335-F338 PolarHBondContact O-N 3.23Å; V336-F338 PolarHBondContact O-N 2.96Å; F338-G340 PolarHBondContact O-N 2.87Å; F338-F341 PolarHBondContact O-N 2.75Å; F338-F341 VanDerWaalsContact O-N 3.14Å; F338-T342 PolarHBondContact O-N 3.37Å; F338-T342 PolarHBondContact O-OG1 3.12Å; F338-E522 HydrophobicContact CE1-CG 4.12Å; F338-E522 WeakPolarHBondContact CE1-OE1 3.2Å |
| 339 | R | 36 | Very low | 74 | Confident | 117 Ų | 117 | 40 Ų | 40 | 44% | 0.442 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -4.1 | -173.7 | -92.2 | -169.6 | 178.1 | 176.6 | -1.4 | 111.5 | T335 F341 | T335-R339 WeakPolarHBondContact O-CA 3.46Å; T335-R339 WeakPolarHBondContact O-CB 3.44Å; T335-R339 WeakPolarHBondContact O-CG 3.19Å; T335-R339 PolarHBondContact O-N 2.91Å; R339-F341 PolarHBondContact O-N 3.33Å; R339-F341 VanDerWaalsContact O-N 3.12Å |
| 340 | G | 37 | Very low | 73.8 | Confident | 59 Ų | 59 | 45.8 Ų | 45.8 | 61% | 0.608 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -24 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F338 | F338-G340 PolarHBondContact O-N 2.87Š|
| 341 | F | 41.1 | Very low | 73.6 | Confident | 26 Ų | 26 | 47.8 Ų | 47.8 | 11% | 0.114 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -152.4 | -5.6 | -169 | -77.9 | -67.5 | 0 | 0 | 0 | 119.3 | F338 R339 M343 L520 K521 F711 | F338-F341 PolarHBondContact O-N 2.75Å; F338-F341 VanDerWaalsContact O-N 3.14Å; R339-F341 PolarHBondContact O-N 3.33Å; R339-F341 VanDerWaalsContact O-N 3.12Å; F341-M343 VanDerWaalsContact C-N 3.26Å; F341-M343 PolarHBondContact O-N 3.46Å; F341-L520 HydrophobicContact CD2-CB 4.5Å; F341-L520 HydrophobicContact CE1-CD1 4.42Å; F341-L520 HydrophobicContact CE2-CB 4.23Å; F341-L520 HydrophobicContact CZ-CB 4.48Å; F341-L520 HydrophobicContact CZ-CD1 4Å; F341-K521 HydrophobicContact CB-CD 3.97Å; F341-K521 HydrophobicContact CB-CG 3.41Å; F341-K521 VanDerWaalsContact CB-CG 3.41Å; F341-K521 HydrophobicContact CG-CG 4.24Å; F341-K521 WeakPolarHBondContact O-CE 3.49Å; F341-K521 PolarHBondContact O-NZ 3.16Å; F341-F711 HydrophobicContact CD1-CD1 4.32Å; F341-F711 AromaticContact CD1-CE1 3.39Å; F341-F711 HydrophobicContact CD1-CE1 3.39Å; F341-F711 AromaticContact CD1-CE2 3.96Å; F341-F711 HydrophobicContact CD1-CE2 3.96Å; F341-F711 AromaticContact CD1-CZ 3.2Å; F341-F711 HydrophobicContact CD1-CZ 3.2Å; F341-F711 AromaticContact CE1-CD1 3.44Å; F341-F711 HydrophobicContact CE1-CD1 3.44Å; F341-F711 VanDerWaalsContact CE1-CD1 3.44Å; F341-F711 HydrophobicContact CE1-CD2 4.13Å; F341-F711 AromaticContact CE1-CE1 2.92Å; F341-F711 HydrophobicContact CE1-CE1 2.92Å; F341-F711 AromaticContact CE1-CE2 3.72Å; F341-F711 HydrophobicContact CE1-CE2 3.72Å; F341-F711 HydrophobicContact CE1-CG 4.04Å; F341-F711 AromaticContact CE1-CZ 3.13Å; F341-F711 HydrophobicContact CE1-CZ 3.13Å; F341-F711 HydrophobicContact CZ-CD1 4.07Å; F341-F711 AromaticContact CZ-CE1 3.84Å; F341-F711 HydrophobicContact CZ-CE1 3.84Å; F341-F711 HydrophobicContact CZ-CZ 4.37Å; F341-F711 WeakPolarHBondContact CZ-O 3.17Å |
| 342 | T | 40.4 | Very low | 73.7 | Confident | 77 Ų | 77 | 51.7 Ų | 51.7 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | trans | -73.5 | 76.6 | -178.4 | 32.6 | 0 | 0 | 0 | 0 | 112.8 | F338 S344 | F338-T342 PolarHBondContact O-N 3.37Å; F338-T342 PolarHBondContact O-OG1 3.12Å; T342-S344 PolarHBondContact O-N 3.22Å | ||
| 343 | M | 57.1 | Low | 73.9 | Confident | 34 Ų | 34 | 51.6 Ų | 51.6 | 17% | 0.167 | 30% | 0.297 | C | S | . | . | trans | -75.7 | 97.4 | -179 | -62.8 | 172.4 | -72.1 | 0 | 0 | 111.8 | F341 V345 L513 F711 V720 E724 | F341-M343 VanDerWaalsContact C-N 3.26Å; F341-M343 PolarHBondContact O-N 3.46Å; M343-V345 PolarHBondContact O-N 3.26Å; M343-L513 HydrophobicContact CE-CB 3.57Å; M343-L513 HydrophobicContact CE-CD1 4.28Å; M343-L513 HydrophobicContact CE-CD2 3.74Å; M343-L513 HydrophobicContact CE-CG 4.01Å; M343-L513 HydrophobicContact SD-CB 4.26Å; M343-L513 HydrophobicContact SD-CD1 3.85Å; M343-L513 HydrophobicContact SD-CD2 3.64Å; M343-L513 HydrophobicContact SD-CG 4.08Å; M343-F711 HydrophobicContact CE-CE2 3.63Å; M343-F711 HydrophobicContact CE-CZ 3.43Å; M343-F711 VanDerWaalsContact CE-CZ 3.43Å; M343-F711 HydrophobicContact SD-CE2 3.74Å; M343-F711 HydrophobicContact SD-CZ 4.17Å; M343-V720 HydrophobicContact CG-CG1 4.03Å; M343-V720 HydrophobicContact SD-CG1 3.46Å; M343-V720 WeakPolarHBondContact SD-CG1 3.05Å; M343-E724 VanDerWaalsContact CA-OE1 3.24Å; M343-E724 WeakPolarHBondContact CA-OE1 3.36Å; M343-E724 WeakPolarHBondContact CG-OE1 3.39Å | ||
| 344 | S | 73 | Confident | 74 | Confident | 88 Ų | 88 | 54.1 Ų | 54.1 | 62% | 0.615 | 32% | 0.318 | S | S | * | . | trans | -87.7 | 94.8 | 165.4 | 175.6 | 0 | 0 | 0 | 0 | 108.4 | T342 A727 | T342-S344 PolarHBondContact O-N 3.22Å; S344-A727 VanDerWaalsContact O-CB 3.28Å; S344-A727 WeakPolarHBondContact O-CB 3.36Å | ||
| 345 | V | 88.6 | Confident | 74.2 | Confident | 18 Ų | 18 | 55 Ų | 55 | 11% | 0.109 | 33% | 0.329 | C | S | . | . | trans | -109.7 | 146.1 | 170.8 | -62.9 | 0 | 0 | 0 | 0 | 109.1 | M343 K347 A505 L723 E724 | M343-V345 PolarHBondContact O-N 3.26Å; V345-K347 PolarHBondContact O-N 2.8Å; V345-A505 HydrophobicContact CB-CB 4.39Å; V345-A505 HydrophobicContact CG2-CB 3.67Å; V345-L723 HydrophobicContact CB-CB 4.13Å; V345-L723 HydrophobicContact CG1-CB 3.61Å; V345-L723 HydrophobicContact CG1-CD1 4.47Å; V345-E724 HydrophobicContact CG1-CG 3.86Å | ||
| 346 | I | 94.1 | Very high | 75.2 | Confident | 46 Ų | 46 | 56.2 Ų | 56.2 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | trans | -61.5 | 130.5 | 168.6 | -61.8 | 167.2 | 0 | 0 | 0 | 107.4 | L351 C504 A505 A727 | I346-L351 HydrophobicContact CG2-CD1 4.1Å; I346-L351 HydrophobicContact CG2-CD2 3.87Å; I346-L351 HydrophobicContact CG2-CG 4.1Å; I346-C504 HydrophobicContact CB-CB 3.96Å; I346-C504 HydrophobicContact CG2-CB 3.74Å; I346-C504 CarbonylContact O-C 3.58Å; I346-C504 VanDerWaalsContact O-CA 3.24Å; I346-C504 WeakPolarHBondContact O-CA 3.31Å; I346-C504 WeakPolarHBondContact O-CB 3.47Å; I346-A505 PolarHBondContact O-N 3.45Å; I346-A727 HydrophobicContact CD1-CB 4.46Å; I346-A727 HydrophobicContact CG1-CB 3.95Å | ||
| 347 | K | 94.2 | Very high | 76.6 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 27% | 0.274 | 34% | 0.337 | S | S | . | . | B | Isolated β-bridge | trans | -96.3 | 138.3 | 176.5 | -55.5 | -172.1 | 176.4 | -165.4 | 0 | 109.9 | V345 T349 D350 A510 D514 | V345-K347 PolarHBondContact O-N 2.8Å; K347-T349 PolarHBondContact O-N 2.94Å; K347-D350 WeakPolarHBondContact CB-OD2 3.44Å; K347-D350 PolarHBondContact O-N 3.37Å; K347-A510 HydrophobicContact CD-CB 4.46Å; K347-D514 IonicContact NZ-OD1 3.38Å; K347-D514 IonicContact NZ-OD2 2.72Å; K347-D514 PolarHBondContact NZ-OD2 3.3Å; K347-D514 VanDerWaalsContact NZ-OD2 3.1Å |
| 348 | M | 97.3 | Very high | 78.9 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -55.4 | -33.6 | 175.3 | 177.9 | -170.1 | 165.5 | 0 | 0 | 112.2 | D350 L351 L353 T385 L388 A389 V479 A505 | M348-D350 PolarHBondContact O-N 3.21Å; M348-L351 PolarHBondContact O-N 2.86Å; M348-L353 HydrophobicContact CE-CD1 3.44Å; M348-L353 VanDerWaalsContact CE-CD1 3.44Å; M348-L353 HydrophobicContact CG-CD1 4Å; M348-T385 HydrophobicContact CE-CG2 4.44Å; M348-T385 HydrophobicContact SD-CG2 3.78Å; M348-L388 HydrophobicContact CE-CB 4.39Å; M348-L388 HydrophobicContact CE-CD2 4.17Å; M348-L388 HydrophobicContact CE-CG 4.22Å; M348-A389 HydrophobicContact CE-CB 3.58Å; M348-V479 HydrophobicContact CB-CG1 4.17Å; M348-V479 HydrophobicContact CB-CG2 4.44Å; M348-V479 HydrophobicContact CG-CG1 4.3Å; M348-V479 HydrophobicContact CG-CG2 4.04Å; M348-V479 HydrophobicContact SD-CB 4.46Å; M348-V479 HydrophobicContact SD-CG1 3.72Å; M348-V479 HydrophobicContact SD-CG2 3.96Å; M348-A505 WeakPolarHBondContact CB-O 3.38Å; M348-A505 PolarHBondContact N-O 3.13Å |
| 349 | T | 93.6 | Very high | 81.8 | Confident | 77 Ų | 77 | 52 Ų | 52 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -64.6 | -19.1 | 179.1 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | K347 L388 P507 | K347-T349 PolarHBondContact O-N 2.94Å; T349-L388 HydrophobicContact CG2-CD2 3.97Å; T349-P507 HydrophobicContact CG2-CG 4.35Å |
| 350 | D | 92.7 | Very high | 84.8 | Confident | 122 Ų | 122 | 46.4 Ų | 46.4 | 65% | 0.652 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -97.8 | 0.6 | -176.3 | -53 | -19.3 | 0 | 0 | 0 | 111.6 | K347 M348 | K347-D350 WeakPolarHBondContact CB-OD2 3.44Å; K347-D350 PolarHBondContact O-N 3.37Å; M348-D350 PolarHBondContact O-N 3.21Å |
| 351 | L | 94.8 | Very high | 87.7 | Confident | 41 Ų | 41 | 43.6 Ų | 43.6 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -104.6 | 142.1 | -177 | -61.8 | 178.9 | 0 | 0 | 0 | 111.5 | I346 M348 L353 Q392 V477 V502 C504 | I346-L351 HydrophobicContact CG2-CD1 4.1Å; I346-L351 HydrophobicContact CG2-CD2 3.87Å; I346-L351 HydrophobicContact CG2-CG 4.1Å; M348-L351 PolarHBondContact O-N 2.86Å; L351-L353 HydrophobicContact CB-CD2 3.89Å; L351-Q392 PolarHBondContact O-OE1 2.88Å; L351-V477 HydrophobicContact CD1-CG1 3.87Å; L351-V502 HydrophobicContact CD1-CG1 3.79Å; L351-V502 HydrophobicContact CD2-CG1 4.41Å; L351-C504 HydrophobicContact CD1-CB 3.95Å |
| 352 | D | 96.6 | Very high | 90.4 | Very high | 106 Ų | 106 | 42.4 Ų | 42.4 | 57% | 0.567 | 24% | 0.242 | S | C | * | . | trans | -79.7 | 117.6 | 163.4 | 178.1 | 18.1 | 0 | 0 | 0 | 110.3 | A354 K356 | D352-A354 WeakPolarHBondContact OD1-CB 3.38Å; D352-A354 PolarHBondContact OD1-N 3.11Å; D352-A354 VanDerWaalsContact OD1-N 3.09Å; D352-K356 WeakPolarHBondContact O-CE 3.5Å; D352-K356 PolarHBondContact O-NZ 3.03Å | ||
| 353 | L | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -105.4 | -0 | -175.8 | -53.7 | -178.1 | 0 | 0 | 0 | 113.8 | M348 L351 G355 K356 V358 A389 Q392 A394 V477 | M348-L353 HydrophobicContact CE-CD1 3.44Å; M348-L353 VanDerWaalsContact CE-CD1 3.44Å; M348-L353 HydrophobicContact CG-CD1 4Å; L351-L353 HydrophobicContact CB-CD2 3.89Å; L353-G355 PolarHBondContact O-N 3.4Å; L353-K356 PolarHBondContact O-N 2.9Å; L353-V358 HydrophobicContact CB-CG2 4.34Å; L353-V358 HydrophobicContact CD2-CG2 4.15Å; L353-A389 HydrophobicContact CD1-CB 4.39Å; L353-Q392 HydrophobicContact CB-CB 4.19Å; L353-A394 HydrophobicContact CB-CB 4.12Å; L353-V477 HydrophobicContact CD2-CG1 4.36Å; L353-V477 HydrophobicContact CD2-CG2 4.29Å | ||
| 354 | A | 96.3 | Very high | 94.9 | Very high | 55 Ų | 55 | 38 Ų | 38 | 46% | 0.455 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 125.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D352 K356 Q392 | D352-A354 WeakPolarHBondContact OD1-CB 3.38Å; D352-A354 PolarHBondContact OD1-N 3.11Å; D352-A354 VanDerWaalsContact OD1-N 3.09Å; A354-K356 PolarHBondContact O-N 2.76Å; A354-Q392 WeakPolarHBondContact CA-O 3.45Å |
| 355 | G | 95.1 | Very high | 96 | Very high | 28 Ų | 28 | 35.8 Ų | 35.8 | 29% | 0.289 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | -5.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | L353 G393 | L353-G355 PolarHBondContact O-N 3.4Å; G355-G393 PolarHBondContact N-O 2.95Å |
| 356 | K | 97.4 | Very high | 96.2 | Very high | 74 Ų | 74 | 35.3 Ų | 35.3 | 32% | 0.322 | 19% | 0.194 | S | C | . | . | trans | -83 | 148.6 | -177 | -64.2 | -171.5 | -176 | 165 | 0 | 112.4 | D352 L353 A354 V358 K395 D476 V477 | D352-K356 WeakPolarHBondContact O-CE 3.5Å; D352-K356 PolarHBondContact O-NZ 3.03Å; L353-K356 PolarHBondContact O-N 2.9Å; A354-K356 PolarHBondContact O-N 2.76Å; K356-V358 HydrophobicContact CB-CG2 4.49Å; K356-V358 PolarHBondContact O-N 2.99Å; K356-K395 PolarHBondContact O-N 3.08Å; K356-D476 WeakPolarHBondContact CA-OD2 3.35Å; K356-D476 HydrophobicContact CB-CB 4.26Å; K356-D476 HydrophobicContact CD-CB 4.42Å; K356-D476 HydrophobicContact CG-CB 4.5Å; K356-V477 HydrophobicContact CD-CG2 4Å | ||
| 357 | R | 98.1 | Very high | 96 | Very high | 59 Ų | 59 | 36.5 Ų | 36.5 | 22% | 0.223 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 112.3 | 169.3 | -67 | 174.4 | 58.8 | 97.9 | 9.4 | 109.2 | K395 M397 V441 L474 C475 D476 V477 | R357-K395 HydrophobicContact CG-CB 4.31Å; R357-K395 HydrophobicContact CG-CD 4.18Å; R357-M397 HydrophobicContact CB-CE 3.89Å; R357-V441 PolarHBondContact NH1-O 2.8Å; R357-V441 VanDerWaalsContact NH2-CG1 3.32Å; R357-V441 PolarHBondContact NH2-O 2.82Å; R357-L474 PolarHBondContact NE-O 3.03Å; R357-L474 PolarHBondContact NH2-O 2.88Å; R357-C475 WeakPolarHBondContact O-CB 3.41Å; R357-D476 WeakPolarHBondContact CB-OD2 3.43Å; R357-D476 PolarHBondContact N-OD2 3.21Å; R357-D476 PolarHBondContact O-N 3.15Å; R357-V477 PolarHBondContact O-N 3.28Å |
| 358 | V | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 119.3 | -176.5 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | L353 K356 I360 A394 K395 M397 V477 V479 | L353-V358 HydrophobicContact CB-CG2 4.34Å; L353-V358 HydrophobicContact CD2-CG2 4.15Å; K356-V358 HydrophobicContact CB-CG2 4.49Å; K356-V358 PolarHBondContact O-N 2.99Å; V358-I360 HydrophobicContact CG1-CD1 4.38Å; V358-I360 HydrophobicContact CG1-CG1 3.87Å; V358-A394 HydrophobicContact CB-CB 4.37Å; V358-A394 HydrophobicContact CG2-CB 3.7Å; V358-K395 PolarHBondContact N-O 3.43Å; V358-M397 PolarHBondContact O-N 2.93Å; V358-V477 WeakPolarHBondContact CA-O 3.11Å; V358-V477 HydrophobicContact CG2-CB 4.4Å; V358-V479 HydrophobicContact CG1-CG2 3.61Å |
| 359 | F | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 112.6 | 175.1 | -170.8 | -68.8 | 0 | 0 | 0 | 109.6 | M397 T399 L451 Y471 C475 V477 F478 V479 I496 | F359-M397 CarbonylContact C-O 3.51Å; F359-M397 WeakPolarHBondContact CA-O 3.39Å; F359-T399 HydrophobicContact CE1-CG2 3.51Å; F359-T399 HydrophobicContact CZ-CG2 3.47Å; F359-T399 VanDerWaalsContact CZ-CG2 3.47Å; F359-L451 HydrophobicContact CD2-CD1 3.89Å; F359-L451 HydrophobicContact CE2-CD1 3.36Å; F359-L451 HydrophobicContact CZ-CD1 4.06Å; F359-Y471 HydrophobicContact CE2-CD1 4.34Å; F359-Y471 HydrophobicContact CZ-CD1 4.39Å; F359-C475 HydrophobicContact CB-CB 3.65Å; F359-V477 PolarHBondContact N-O 2.72Å; F359-F478 AromaticContact CD1-CD2 3.9Å; F359-F478 HydrophobicContact CD1-CD2 3.9Å; F359-F478 HydrophobicContact CD1-CE2 4.14Å; F359-F478 HydrophobicContact CE1-CE2 4.49Å; F359-V479 PolarHBondContact O-N 3.27Å; F359-I496 HydrophobicContact CD1-CD1 3.71Å; F359-I496 HydrophobicContact CD2-CD1 4.15Å; F359-I496 HydrophobicContact CE1-CD1 3.82Å; F359-I496 HydrophobicContact CE2-CD1 4.23Å; F359-I496 HydrophobicContact CG-CD1 3.89Å; F359-I496 HydrophobicContact CZ-CD1 4.07Å |
| 360 | I | 98.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 115.3 | -179.4 | -52.2 | 176 | 0 | 0 | 0 | 109.3 | V358 A362 T385 A389 V396 M397 V398 T399 V479 D481 | V358-I360 HydrophobicContact CG1-CD1 4.38Å; V358-I360 HydrophobicContact CG1-CG1 3.87Å; I360-A362 PolarHBondContact O-N 3.22Å; I360-T385 HydrophobicContact CD1-CG2 4.32Å; I360-T385 HydrophobicContact CG2-CG2 4.11Å; I360-A389 HydrophobicContact CD1-CB 4.12Å; I360-V396 HydrophobicContact CD1-CG1 3.66Å; I360-V396 HydrophobicContact CG1-CG1 4.39Å; I360-M397 PolarHBondContact N-O 2.79Å; I360-V398 HydrophobicContact CB-CG2 4.35Å; I360-V398 HydrophobicContact CG2-CG2 4.48Å; I360-V398 WeakPolarHBondContact O-CA 3.37Å; I360-T399 PolarHBondContact O-N 2.91Å; I360-V479 WeakPolarHBondContact CA-O 3.32Å; I360-V479 HydrophobicContact CG1-CB 4.17Å; I360-V479 HydrophobicContact CG1-CG2 4.36Å; I360-D481 HydrophobicContact CG2-CB 4.24Å |
| 361 | R | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 99.2 | 168.8 | -178.2 | 61.1 | 172.9 | 67.9 | 15.7 | 109.5 | H401 F478 V479 M480 D481 A482 S492 T493 | R361-H401 PolarHBondContact NH2-ND1 3.1Å; R361-F478 HydrophobicContact CB-CE2 3.84Å; R361-F478 HydrophobicContact CB-CZ 4.31Å; R361-V479 PolarHBondContact N-O 2.91Å; R361-M480 HydrophobicContact CB-SD 3.97Å; R361-M480 HydrophobicContact CG-SD 3.78Å; R361-D481 CarbonylContact O-C 3.6Å; R361-D481 WeakPolarHBondContact O-CA 3.21Å; R361-D481 PolarHBondContact O-N 2.91Å; R361-A482 HydrophobicContact CG-CB 4.39Å; R361-A482 WeakPolarHBondContact O-CB 3.37Å; R361-A482 PolarHBondContact O-N 3.35Å; R361-S492 WeakPolarHBondContact CG-O 3.18Å; R361-S492 PolarHBondContact NE-OG 3.34Å; R361-T493 HydrophobicContact CG-CG2 4.36Å |
| 362 | A | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 160.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | I360 L364 V398 T399 S400 | I360-A362 PolarHBondContact O-N 3.22Å; A362-L364 HydrophobicContact CB-CD1 4.33Å; A362-L364 HydrophobicContact CB-CD2 4.19Å; A362-L364 HydrophobicContact CB-CG 3.93Å; A362-V398 HydrophobicContact CB-CG2 3.86Å; A362-T399 PolarHBondContact N-O 2.75Å; A362-T399 VanDerWaalsContact N-O 3.08Å; A362-S400 WeakPolarHBondContact O-CB 3.14Å; A362-S400 PolarHBondContact O-OG 3.4Å |
| 363 | D | 95.8 | Very high | 95.2 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 10% | 0.096 | 25% | 0.246 | C | C | . | . | trans | -93.9 | 92.8 | 166.2 | -172.3 | -9.7 | 0 | 0 | 0 | 109.2 | N365 R378 H401 A482 | D363-N365 WeakPolarHBondContact OD1-CB 3.43Å; D363-N365 PolarHBondContact OD1-N 3.16Å; D363-R378 VanDerWaalsContact O-CB 3.28Å; D363-R378 WeakPolarHBondContact O-CB 3.46Å; D363-R378 IonicContact OD1-CZ 3.6Å; D363-R378 IonicContact OD1-NH1 3.11Å; D363-R378 PolarHBondContact OD1-NH1 3.2Å; D363-R378 IonicContact OD2-CZ 2.81Å; D363-R378 IonicContact OD2-NH1 2.94Å; D363-R378 PolarHBondContact OD2-NH1 3.47Å; D363-H401 IonicContact OD1-CE1 2.67Å; D363-H401 PolarHBondContact OD1-CE1 3.02Å; D363-A482 HydrophobicContact CB-CB 4.09Å | ||
| 364 | L | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -106.5 | 24 | 174.7 | -50.7 | 173.2 | 0 | 0 | 0 | 111.3 | A362 V366 I379 V398 S400 V419 | A362-L364 HydrophobicContact CB-CD1 4.33Å; A362-L364 HydrophobicContact CB-CD2 4.19Å; A362-L364 HydrophobicContact CB-CG 3.93Å; L364-V366 VanDerWaalsContact C-N 3.25Å; L364-V366 PolarHBondContact O-N 3.34Å; L364-I379 HydrophobicContact CD2-CB 4.5Å; L364-I379 HydrophobicContact CD2-CG1 4.23Å; L364-V398 HydrophobicContact CD1-CG2 4.1Å; L364-S400 WeakPolarHBondContact CA-OG 3.43Å; L364-S400 PolarHBondContact N-OG 3.06Å; L364-V419 HydrophobicContact CB-CG1 4.13Å; L364-V419 HydrophobicContact CD1-CG1 3.96Å; L364-V419 HydrophobicContact CG-CG1 4.48Å | ||
| 365 | N | 95.1 | Very high | 94.5 | Very high | 43 Ų | 43 | 48.6 Ų | 48.6 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | trans | -76.4 | 79.1 | 177.3 | 175 | 55.5 | 0 | 0 | 0 | 110.4 | D363 R378 H401 G403 | D363-N365 WeakPolarHBondContact OD1-CB 3.43Å; D363-N365 PolarHBondContact OD1-N 3.16Å; N365-R378 PolarHBondContact ND2-NH1 3.46Å; N365-R378 VanDerWaalsContact O-CD 3.27Å; N365-R378 WeakPolarHBondContact O-CD 3.41Å; N365-R378 PolarHBondContact O-NE 2.99Å; N365-R378 PolarHBondContact O-NH1 3.49Å; N365-H401 WeakPolarHBondContact CB-NE2 3.47Å; N365-H401 WeakPolarHBondContact CB-O 3.46Å; N365-G403 PolarHBondContact OD1-N 2.8Å | ||
| 366 | V | 92.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | trans | -96.9 | 153.3 | -177.9 | -68.5 | 0 | 0 | 0 | 0 | 112.4 | L364 V368 V373 S375 R378 I379 L402 V419 | L364-V366 VanDerWaalsContact C-N 3.25Å; L364-V366 PolarHBondContact O-N 3.34Å; V366-V368 HydrophobicContact CG2-CG2 4.18Å; V366-V368 PolarHBondContact O-N 3.04Å; V366-V373 HydrophobicContact CB-CG1 4.15Å; V366-V373 HydrophobicContact CG2-CB 4.48Å; V366-V373 HydrophobicContact CG2-CG1 3.92Å; V366-V373 HydrophobicContact CG2-CG2 3.94Å; V366-S375 WeakPolarHBondContact CB-O 3.45Å; V366-S375 WeakPolarHBondContact CG1-O 3.36Å; V366-R378 HydrophobicContact CG1-CB 4.03Å; V366-R378 HydrophobicContact CG1-CG 4.48Å; V366-I379 HydrophobicContact CG1-CD1 4.02Å; V366-I379 HydrophobicContact CG1-CG1 3.81Å; V366-I379 HydrophobicContact CG2-CD1 4.25Å; V366-L402 HydrophobicContact CG2-CD1 4.37Å; V366-L402 WeakPolarHBondContact O-CD1 3.38Å; V366-V419 HydrophobicContact CG2-CG2 3.84Å | ||
| 367 | P | 90.7 | Very high | 93.6 | Very high | 72 Ų | 72 | 48 Ų | 48 | 47% | 0.468 | 27% | 0.27 | S | S | . | . | trans | -60.4 | 125.3 | 166.9 | -21.6 | 34.6 | 0 | 0 | 0 | 110.6 | T374 | P367-T374 WeakPolarHBondContact CB-OG1 3.32Å; P367-T374 PolarHBondContact O-N 3.42Å; P367-T374 PolarHBondContact O-OG1 3.37Å | ||
| 368 | V | 92.8 | Very high | 93.1 | Very high | 48 Ų | 48 | 48.9 Ų | 48.9 | 29% | 0.291 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 133 | 176 | 175.9 | 0 | 0 | 0 | 0 | 108.3 | V366 K372 L402 P418 | V366-V368 HydrophobicContact CG2-CG2 4.18Å; V366-V368 PolarHBondContact O-N 3.04Å; V368-K372 WeakPolarHBondContact CA-O 3.36Å; V368-L402 HydrophobicContact CG2-CD1 4.43Å; V368-L402 HydrophobicContact CG2-CD2 4.33Å; V368-P418 HydrophobicContact CG1-CB 4.14Å; V368-P418 HydrophobicContact CG1-CG 3.86Å; V368-P418 HydrophobicContact CG2-CB 4.2Å; V368-P418 HydrophobicContact CG2-CG 4.41Å |
| 369 | K | 91.8 | Very high | 92.9 | Very high | 140 Ų | 140 | 48.9 Ų | 48.9 | 61% | 0.609 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 130.8 | 171.8 | -169.6 | -178.7 | 175.5 | 179.6 | 0 | 108.5 | G371 K372 T374 | K369-G371 PolarHBondContact O-N 3.25Å; K369-K372 PolarHBondContact N-O 3.2Å; K369-K372 PolarHBondContact O-N 2.98Å; K369-T374 HydrophobicContact CB-CG2 3.67Å |
| 370 | D | 91.3 | Very high | 92.5 | Very high | 147 Ų | 147 | 55.3 Ų | 55.3 | 79% | 0.786 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 42.1 | 178.7 | -53.3 | -46.4 | 0 | 0 | 0 | 113.2 | K372 | D370-K372 PolarHBondContact O-N 3.16Š|
| 371 | G | 89.8 | Confident | 92 | Very high | 46 Ų | 46 | 57.1 Ų | 57.1 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 12 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K369 P418 | K369-G371 PolarHBondContact O-N 3.25Å; G371-P418 WeakPolarHBondContact O-CB 3.46Å |
| 372 | K | 93 | Very high | 91.8 | Very high | 158 Ų | 158 | 57.2 Ų | 57.2 | 69% | 0.687 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142.5 | 178.5 | -66.9 | -176.6 | 177.9 | -177.5 | 0 | 111.7 | V368 K369 D370 T374 | V368-K372 WeakPolarHBondContact CA-O 3.36Å; K369-K372 PolarHBondContact N-O 3.2Å; K369-K372 PolarHBondContact O-N 2.98Å; D370-K372 PolarHBondContact O-N 3.16Å; K372-T374 PolarHBondContact O-N 3.2Å |
| 373 | V | 93.8 | Very high | 91.7 | Very high | 30 Ų | 30 | 58 Ų | 58 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 124.9 | 172.1 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | V366 S375 D376 I379 P418 Y422 | V366-V373 HydrophobicContact CB-CG1 4.15Å; V366-V373 HydrophobicContact CG2-CB 4.48Å; V366-V373 HydrophobicContact CG2-CG1 3.92Å; V366-V373 HydrophobicContact CG2-CG2 3.94Å; V373-S375 WeakPolarHBondContact CG1-O 3.5Å; V373-D376 HydrophobicContact CG1-CB 4.23Å; V373-I379 HydrophobicContact CG1-CD1 3.98Å; V373-I379 HydrophobicContact CG2-CD1 4.07Å; V373-P418 HydrophobicContact CG2-CB 4.27Å; V373-Y422 HydrophobicContact CB-CD2 4.47Å |
| 374 | T | 89.7 | Confident | 91.7 | Very high | 91 Ų | 91 | 61 Ų | 61 | 56% | 0.558 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -101.4 | -18.1 | 178.7 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | P367 K369 K372 | P367-T374 WeakPolarHBondContact CB-OG1 3.32Å; P367-T374 PolarHBondContact O-N 3.42Å; P367-T374 PolarHBondContact O-OG1 3.37Å; K369-T374 HydrophobicContact CB-CG2 3.67Å; K372-T374 PolarHBondContact O-N 3.2Å |
| 375 | S | 87.9 | Confident | 91.7 | Very high | 58 Ų | 58 | 61 Ų | 61 | 41% | 0.406 | 34% | 0.338 | S | S | . | . | trans | -141.2 | 123.1 | 168.7 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | V366 V373 | V366-S375 WeakPolarHBondContact CB-O 3.45Å; V366-S375 WeakPolarHBondContact CG1-O 3.36Å; V373-S375 WeakPolarHBondContact CG1-O 3.5Å | ||
| 376 | D | 89.8 | Confident | 91.8 | Very high | 43 Ų | 43 | 59 Ų | 59 | 23% | 0.23 | 33% | 0.327 | C | S | . | . | trans | -105 | 5.7 | -169.1 | 69.8 | -7.1 | 0 | 0 | 0 | 114.3 | V373 R378 I379 R380 Y422 | V373-D376 HydrophobicContact CG1-CB 4.23Å; D376-R378 VanDerWaalsContact C-N 3.25Å; D376-R378 PolarHBondContact O-N 2.9Å; D376-R378 VanDerWaalsContact O-N 3.16Å; D376-I379 PolarHBondContact O-N 3.36Å; D376-R380 VanDerWaalsContact CG-NE 3.3Å; D376-R380 PolarHBondContact O-N 3.49Å; D376-R380 IonicContact OD1-CZ 3.28Å; D376-R380 IonicContact OD1-NE 3.02Å; D376-R380 PolarHBondContact OD1-NE 3.02Å; D376-R380 IonicContact OD1-NH2 2.83Å; D376-R380 PolarHBondContact OD1-NH2 3.5Å; D376-R380 IonicContact OD2-NE 3.72Å; D376-R380 PolarHBondContact OD2-NE 2.55Å; D376-Y422 HydrophobicContact CB-CD2 4.38Å; D376-Y422 HydrophobicContact CB-CE1 4.42Å; D376-Y422 HydrophobicContact CB-CE2 3.51Å; D376-Y422 PolarHBondContact OD2-OH 3.17Å | ||
| 377 | A | 84.6 | Confident | 92 | Very high | 47 Ų | 47 | 61.6 Ų | 61.6 | 39% | 0.388 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -53.4 | -42.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R380 A381 | A377-R380 PolarHBondContact O-N 2.87Å; A377-A381 WeakPolarHBondContact O-CB 3.4Å; A377-A381 PolarHBondContact O-N 3.2Å |
| 378 | R | 88.5 | Confident | 92.3 | Very high | 77 Ų | 77 | 60.6 Ų | 60.6 | 29% | 0.291 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.2 | -34.7 | 179.2 | -56.3 | -171.8 | -178.8 | -154.2 | -7.4 | 113.3 | D363 N365 V366 D376 A381 S382 | D363-R378 VanDerWaalsContact O-CB 3.28Å; D363-R378 WeakPolarHBondContact O-CB 3.46Å; D363-R378 IonicContact OD1-CZ 3.6Å; D363-R378 IonicContact OD1-NH1 3.11Å; D363-R378 PolarHBondContact OD1-NH1 3.2Å; D363-R378 IonicContact OD2-CZ 2.81Å; D363-R378 IonicContact OD2-NH1 2.94Å; D363-R378 PolarHBondContact OD2-NH1 3.47Å; N365-R378 PolarHBondContact ND2-NH1 3.46Å; N365-R378 VanDerWaalsContact O-CD 3.27Å; N365-R378 WeakPolarHBondContact O-CD 3.41Å; N365-R378 PolarHBondContact O-NE 2.99Å; N365-R378 PolarHBondContact O-NH1 3.49Å; V366-R378 HydrophobicContact CG1-CB 4.03Å; V366-R378 HydrophobicContact CG1-CG 4.48Å; D376-R378 VanDerWaalsContact C-N 3.25Å; D376-R378 PolarHBondContact O-N 2.9Å; D376-R378 VanDerWaalsContact O-N 3.16Å; R378-A381 PolarHBondContact O-N 2.88Å; R378-S382 PolarHBondContact O-N 2.88Å; R378-S382 VanDerWaalsContact O-N 3.13Å; R378-S382 PolarHBondContact O-OG 3.15Å |
| 379 | I | 93.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.7 | -46 | 177 | -54.4 | 166.8 | 0 | 0 | 0 | 109.3 | L364 V366 V373 D376 A381 S382 L383 V419 Y422 L423 | L364-I379 HydrophobicContact CD2-CB 4.5Å; L364-I379 HydrophobicContact CD2-CG1 4.23Å; V366-I379 HydrophobicContact CG1-CD1 4.02Å; V366-I379 HydrophobicContact CG1-CG1 3.81Å; V366-I379 HydrophobicContact CG2-CD1 4.25Å; V373-I379 HydrophobicContact CG1-CD1 3.98Å; V373-I379 HydrophobicContact CG2-CD1 4.07Å; D376-I379 PolarHBondContact O-N 3.36Å; I379-A381 VanDerWaalsContact C-N 3.28Å; I379-A381 PolarHBondContact O-N 3.49Å; I379-S382 PolarHBondContact O-N 3.23Å; I379-S382 VanDerWaalsContact O-N 3.11Å; I379-L383 WeakPolarHBondContact O-CG 3.41Å; I379-L383 PolarHBondContact O-N 3.33Å; I379-V419 HydrophobicContact CD1-CG1 4.12Å; I379-V419 HydrophobicContact CG1-CG1 4.28Å; I379-Y422 HydrophobicContact CB-CD1 4.27Å; I379-Y422 HydrophobicContact CB-CE1 4.11Å; I379-Y422 HydrophobicContact CD1-CD1 3.83Å; I379-Y422 HydrophobicContact CD1-CE1 4.3Å; I379-Y422 HydrophobicContact CD1-CG 3.97Å; I379-Y422 HydrophobicContact CG2-CD1 3.64Å; I379-Y422 HydrophobicContact CG2-CE1 3.66Å; I379-L423 HydrophobicContact CG2-CD2 3.74Å; I379-L423 HydrophobicContact CG2-CG 4.32Å |
| 380 | R | 89.8 | Confident | 92.7 | Very high | 135 Ų | 135 | 52.2 Ų | 52.2 | 51% | 0.509 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.8 | -39.1 | 175.4 | -76 | -171.9 | -72 | 110.1 | -2.3 | 112.7 | D376 A377 P384 | D376-R380 VanDerWaalsContact CG-NE 3.3Å; D376-R380 PolarHBondContact O-N 3.49Å; D376-R380 IonicContact OD1-CZ 3.28Å; D376-R380 IonicContact OD1-NE 3.02Å; D376-R380 PolarHBondContact OD1-NE 3.02Å; D376-R380 IonicContact OD1-NH2 2.83Å; D376-R380 PolarHBondContact OD1-NH2 3.5Å; D376-R380 IonicContact OD2-NE 3.72Å; D376-R380 PolarHBondContact OD2-NE 2.55Å; A377-R380 PolarHBondContact O-N 2.87Å; R380-P384 VanDerWaalsContact O-CD 3.3Å; R380-P384 WeakPolarHBondContact O-CD 3.44Å |
| 381 | A | 88.7 | Confident | 92.9 | Very high | 39 Ų | 39 | 52.8 Ų | 52.8 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A377 R378 I379 P384 L508 | A377-A381 WeakPolarHBondContact O-CB 3.4Å; A377-A381 PolarHBondContact O-N 3.2Å; R378-A381 PolarHBondContact O-N 2.88Å; I379-A381 VanDerWaalsContact C-N 3.28Å; I379-A381 PolarHBondContact O-N 3.49Å; A381-P384 WeakPolarHBondContact O-CD 3.22Å; A381-L508 HydrophobicContact CB-CD1 3.95Å; A381-L508 HydrophobicContact CB-CD2 4.09Å; A381-L508 WeakPolarHBondContact O-CD1 3.35Å; A381-L508 WeakPolarHBondContact O-CD2 3.47Å; A381-L508 WeakPolarHBondContact O-CG 3.12Å |
| 382 | S | 94.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -80 | -20.6 | -177.5 | -62.8 | 0 | 0 | 0 | 0 | 113.9 | R378 I379 T385 I386 | R378-S382 PolarHBondContact O-N 2.88Å; R378-S382 VanDerWaalsContact O-N 3.13Å; R378-S382 PolarHBondContact O-OG 3.15Å; I379-S382 PolarHBondContact O-N 3.23Å; I379-S382 VanDerWaalsContact O-N 3.11Å; S382-T385 WeakPolarHBondContact O-CB 2.96Å; S382-T385 PolarHBondContact O-N 2.98Å; S382-I386 WeakPolarHBondContact O-CG1 3.38Å; S382-I386 PolarHBondContact O-N 2.79Å |
| 383 | L | 95.8 | Very high | 93.3 | Very high | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.6 | -46.7 | -176.9 | -92.4 | 172.4 | 0 | 0 | 0 | 113.7 | I379 T385 I386 E387 L423 K426 L427 | I379-L383 WeakPolarHBondContact O-CG 3.41Å; I379-L383 PolarHBondContact O-N 3.33Å; L383-T385 VanDerWaalsContact C-N 3.28Å; L383-T385 PolarHBondContact O-N 3.39Å; L383-I386 PolarHBondContact O-N 3.23Å; L383-I386 VanDerWaalsContact O-N 3.13Å; L383-E387 WeakPolarHBondContact O-CB 3.3Å; L383-E387 WeakPolarHBondContact O-CG 3.28Å; L383-E387 PolarHBondContact O-N 3.02Å; L383-L423 HydrophobicContact CD2-CD2 3.77Å; L383-L423 HydrophobicContact CG-CD2 4.38Å; L383-K426 HydrophobicContact CD1-CB 4.28Å; L383-L427 HydrophobicContact CD2-CD1 4.14Å; L383-L427 HydrophobicContact CD2-CD2 3.96Å; L383-L427 HydrophobicContact CD2-CG 3.99Å |
| 384 | P | 95.8 | Very high | 93.4 | Very high | 80 Ų | 80 | 45.6 Ų | 45.6 | 52% | 0.519 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -54.6 | -39.6 | 176.5 | -29.2 | 35.8 | 0 | 0 | 0 | 114.1 | R380 A381 L388 | R380-P384 VanDerWaalsContact O-CD 3.3Å; R380-P384 WeakPolarHBondContact O-CD 3.44Å; A381-P384 WeakPolarHBondContact O-CD 3.22Å; P384-L388 VanDerWaalsContact O-CB 3.28Å; P384-L388 WeakPolarHBondContact O-CB 3.3Å; P384-L388 PolarHBondContact O-N 3.43Å |
| 385 | T | 97.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.3 | -45.5 | 177 | -56 | 0 | 0 | 0 | 0 | 111.5 | M348 I360 S382 L383 L388 A389 D481 P507 | M348-T385 HydrophobicContact CE-CG2 4.44Å; M348-T385 HydrophobicContact SD-CG2 3.78Å; I360-T385 HydrophobicContact CD1-CG2 4.32Å; I360-T385 HydrophobicContact CG2-CG2 4.11Å; S382-T385 WeakPolarHBondContact O-CB 2.96Å; S382-T385 PolarHBondContact O-N 2.98Å; L383-T385 VanDerWaalsContact C-N 3.28Å; L383-T385 PolarHBondContact O-N 3.39Å; T385-L388 PolarHBondContact O-N 2.74Å; T385-A389 PolarHBondContact O-N 3.29Å; T385-D481 WeakPolarHBondContact CB-OD2 3.43Å; T385-D481 HydrophobicContact CG2-CB 4.33Å; T385-D481 VanDerWaalsContact CG2-OD2 3.28Å; T385-D481 WeakPolarHBondContact CG2-OD2 3.18Å; T385-D481 PolarHBondContact OG1-OD2 2.84Å; T385-P507 HydrophobicContact CG2-CG 4.38Å; T385-P507 WeakPolarHBondContact OG1-CD 3.41Å |
| 386 | I | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.2 | -47.7 | 178.8 | -62.5 | 167.2 | 0 | 0 | 0 | 110.3 | S382 L383 L388 A389 L390 V398 L423 L427 L448 | S382-I386 WeakPolarHBondContact O-CG1 3.38Å; S382-I386 PolarHBondContact O-N 2.79Å; L383-I386 PolarHBondContact O-N 3.23Å; L383-I386 VanDerWaalsContact O-N 3.13Å; I386-L388 VanDerWaalsContact C-N 3.35Å; I386-L388 PolarHBondContact O-N 2.6Å; I386-A389 PolarHBondContact O-N 3.31Å; I386-L390 HydrophobicContact CG2-CD1 3.87Å; I386-L390 HydrophobicContact CG2-CG 4.49Å; I386-L390 WeakPolarHBondContact O-CG 3.12Å; I386-L390 PolarHBondContact O-N 2.91Å; I386-V398 HydrophobicContact CD1-CG2 4.14Å; I386-V398 HydrophobicContact CG1-CG2 4.35Å; I386-L423 HydrophobicContact CD1-CD2 4.5Å; I386-L427 HydrophobicContact CG2-CD1 4.27Å; I386-L448 HydrophobicContact CG2-CD1 3.7Å; I386-L448 HydrophobicContact CG2-CD2 3.7Å; I386-L448 HydrophobicContact CG2-CG 4.31Å |
| 387 | E | 96.8 | Very high | 94.7 | Very high | 62 Ų | 62 | 39.2 Ų | 39.2 | 29% | 0.29 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63 | -39.2 | 178.5 | -76.1 | -172.1 | -155.2 | 0 | 0 | 112.7 | L383 A389 L390 K391 L427 | L383-E387 WeakPolarHBondContact O-CB 3.3Å; L383-E387 WeakPolarHBondContact O-CG 3.28Å; L383-E387 PolarHBondContact O-N 3.02Å; E387-A389 VanDerWaalsContact C-N 3.32Å; E387-A389 PolarHBondContact O-N 3.24Å; E387-L390 PolarHBondContact O-N 3.37Å; E387-K391 HydrophobicContact CB-CD 4.48Å; E387-K391 VanDerWaalsContact O-CB 3.26Å; E387-K391 WeakPolarHBondContact O-CB 3.44Å; E387-K391 WeakPolarHBondContact O-CD 3.41Å; E387-K391 VanDerWaalsContact O-CG 3.23Å; E387-K391 WeakPolarHBondContact O-CG 3.42Å; E387-K391 PolarHBondContact O-N 3.37Å; E387-K391 IonicContact OE2-NZ 3.66Å; E387-K391 PolarHBondContact OE2-NZ 2.9Å; E387-L427 HydrophobicContact CG-CD2 3.72Å |
| 388 | L | 96.5 | Very high | 95.4 | Very high | 52 Ų | 52 | 37 Ų | 37 | 27% | 0.272 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.4 | -45.7 | 177.2 | 176.3 | 63.9 | 0 | 0 | 0 | 111 | M348 T349 P384 T385 I386 Q392 P507 | M348-L388 HydrophobicContact CE-CB 4.39Å; M348-L388 HydrophobicContact CE-CD2 4.17Å; M348-L388 HydrophobicContact CE-CG 4.22Å; T349-L388 HydrophobicContact CG2-CD2 3.97Å; P384-L388 VanDerWaalsContact O-CB 3.28Å; P384-L388 WeakPolarHBondContact O-CB 3.3Å; P384-L388 PolarHBondContact O-N 3.43Å; T385-L388 PolarHBondContact O-N 2.74Å; I386-L388 VanDerWaalsContact C-N 3.35Å; I386-L388 PolarHBondContact O-N 2.6Å; L388-Q392 WeakPolarHBondContact O-CG 3.31Å; L388-Q392 PolarHBondContact O-N 3.45Å; L388-P507 HydrophobicContact CD2-CG 4.15Å |
| 389 | A | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.6 | -47.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | M348 L353 I360 T385 I386 E387 K391 Q392 G393 A394 V396 | M348-A389 HydrophobicContact CE-CB 3.58Å; L353-A389 HydrophobicContact CD1-CB 4.39Å; I360-A389 HydrophobicContact CD1-CB 4.12Å; T385-A389 PolarHBondContact O-N 3.29Å; I386-A389 PolarHBondContact O-N 3.31Å; E387-A389 VanDerWaalsContact C-N 3.32Å; E387-A389 PolarHBondContact O-N 3.24Å; A389-K391 VanDerWaalsContact C-N 3.35Å; A389-K391 PolarHBondContact O-N 3.5Å; A389-Q392 PolarHBondContact O-N 3.48Å; A389-G393 PolarHBondContact O-N 3.26Å; A389-A394 HydrophobicContact CB-CB 4.18Å; A389-A394 VanDerWaalsContact O-CB 3.23Å; A389-A394 WeakPolarHBondContact O-CB 3.36Å; A389-A394 PolarHBondContact O-N 3.3Å; A389-A394 VanDerWaalsContact O-N 3.15Å; A389-V396 HydrophobicContact CB-CG1 4.31Å; A389-V396 HydrophobicContact CB-CG2 3.55Å |
| 390 | L | 96.5 | Very high | 96.2 | Very high | 12 Ų | 12 | 33.3 Ų | 33.3 | 6% | 0.063 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60 | -43.5 | 179.8 | -72 | 168.6 | 0 | 0 | 0 | 111.8 | I386 E387 Q392 G393 V396 L427 N429 E447 | I386-L390 HydrophobicContact CG2-CD1 3.87Å; I386-L390 HydrophobicContact CG2-CG 4.49Å; I386-L390 WeakPolarHBondContact O-CG 3.12Å; I386-L390 PolarHBondContact O-N 2.91Å; E387-L390 PolarHBondContact O-N 3.37Å; L390-Q392 VanDerWaalsContact C-N 3.28Å; L390-Q392 PolarHBondContact O-N 3.15Å; L390-G393 PolarHBondContact O-N 3.47Å; L390-V396 HydrophobicContact CD2-CB 4.07Å; L390-V396 HydrophobicContact CD2-CG2 3.69Å; L390-V396 HydrophobicContact CG-CB 4.44Å; L390-V396 HydrophobicContact CG-CG2 3.9Å; L390-L427 HydrophobicContact CD1-CD1 4.38Å; L390-N429 HydrophobicContact CD1-CB 4.25Å; L390-E447 WeakPolarHBondContact CD2-O 3.4Å |
| 391 | K | 95.4 | Very high | 96.5 | Very high | 158 Ų | 158 | 27.3 Ų | 27.3 | 69% | 0.687 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -65.4 | -28.5 | 179.6 | -76.6 | 165.8 | 175.6 | 159.8 | 0 | 113 | E387 A389 G393 | E387-K391 HydrophobicContact CB-CD 4.48Å; E387-K391 VanDerWaalsContact O-CB 3.26Å; E387-K391 WeakPolarHBondContact O-CB 3.44Å; E387-K391 WeakPolarHBondContact O-CD 3.41Å; E387-K391 VanDerWaalsContact O-CG 3.23Å; E387-K391 WeakPolarHBondContact O-CG 3.42Å; E387-K391 PolarHBondContact O-N 3.37Å; E387-K391 IonicContact OE2-NZ 3.66Å; E387-K391 PolarHBondContact OE2-NZ 2.9Å; A389-K391 VanDerWaalsContact C-N 3.35Å; A389-K391 PolarHBondContact O-N 3.5Å; K391-G393 VanDerWaalsContact C-N 3.25Å; K391-G393 PolarHBondContact O-N 3.29Å |
| 392 | Q | 95 | Very high | 97 | Very high | 60 Ų | 60 | 25.7 Ų | 25.7 | 28% | 0.28 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -1.3 | 174.1 | -71.3 | -174.6 | 58.7 | 0 | 0 | 113.6 | L351 L353 A354 L388 A389 L390 | L351-Q392 PolarHBondContact O-OE1 2.88Å; L353-Q392 HydrophobicContact CB-CB 4.19Å; A354-Q392 WeakPolarHBondContact CA-O 3.45Å; L388-Q392 WeakPolarHBondContact O-CG 3.31Å; L388-Q392 PolarHBondContact O-N 3.45Å; A389-Q392 PolarHBondContact O-N 3.48Å; L390-Q392 VanDerWaalsContact C-N 3.28Å; L390-Q392 PolarHBondContact O-N 3.15Å |
| 393 | G | 94.8 | Very high | 97 | Very high | 24 Ų | 24 | 26.7 Ų | 26.7 | 25% | 0.247 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 26.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G355 A389 L390 K391 | G355-G393 PolarHBondContact N-O 2.95Å; A389-G393 PolarHBondContact O-N 3.26Å; L390-G393 PolarHBondContact O-N 3.47Å; K391-G393 VanDerWaalsContact C-N 3.25Å; K391-G393 PolarHBondContact O-N 3.29Å |
| 394 | A | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -75.1 | 158 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L353 V358 A389 V396 | L353-A394 HydrophobicContact CB-CB 4.12Å; V358-A394 HydrophobicContact CB-CB 4.37Å; V358-A394 HydrophobicContact CG2-CB 3.7Å; A389-A394 HydrophobicContact CB-CB 4.18Å; A389-A394 VanDerWaalsContact O-CB 3.23Å; A389-A394 WeakPolarHBondContact O-CB 3.36Å; A389-A394 PolarHBondContact O-N 3.3Å; A389-A394 VanDerWaalsContact O-N 3.15Å; A394-V396 HydrophobicContact CB-CG2 3.88Å | ||
| 395 | K | 98.1 | Very high | 96.9 | Very high | 57 Ų | 57 | 32.7 Ų | 32.7 | 25% | 0.248 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 92 | 168.5 | -67 | 168.4 | -179.4 | 164.6 | 0 | 108.2 | K356 R357 V358 V443 E445 | K356-K395 PolarHBondContact O-N 3.08Å; R357-K395 HydrophobicContact CG-CB 4.31Å; R357-K395 HydrophobicContact CG-CD 4.18Å; V358-K395 PolarHBondContact N-O 3.43Å; K395-V443 HydrophobicContact CB-CB 4.02Å; K395-V443 HydrophobicContact CB-CG1 3.78Å; K395-V443 VanDerWaalsContact CD-O 3.3Å; K395-V443 WeakPolarHBondContact CD-O 3.43Å; K395-V443 WeakPolarHBondContact CG-O 3.14Å; K395-E445 HydrophobicContact CD-CG 4.46Å; K395-E445 HydrophobicContact CG-CG 3.92Å |
| 396 | V | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.1 | -162.7 | -171 | 0 | 0 | 0 | 0 | 111.9 | I360 A389 L390 A394 L448 V449 | I360-V396 HydrophobicContact CD1-CG1 3.66Å; I360-V396 HydrophobicContact CG1-CG1 4.39Å; A389-V396 HydrophobicContact CB-CG1 4.31Å; A389-V396 HydrophobicContact CB-CG2 3.55Å; L390-V396 HydrophobicContact CD2-CB 4.07Å; L390-V396 HydrophobicContact CD2-CG2 3.69Å; L390-V396 HydrophobicContact CG-CB 4.44Å; L390-V396 HydrophobicContact CG-CG2 3.9Å; A394-V396 HydrophobicContact CB-CG2 3.88Å; V396-L448 HydrophobicContact CB-CD1 3.99Å; V396-L448 HydrophobicContact CG1-CD1 3.6Å; V396-V449 PolarHBondContact O-N 3.35Å |
| 397 | M | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 119.7 | 166.2 | -63.6 | 153.8 | -71.2 | 0 | 0 | 108.7 | R357 V358 F359 I360 V441 V443 V449 L451 L474 C475 | R357-M397 HydrophobicContact CB-CE 3.89Å; V358-M397 PolarHBondContact O-N 2.93Å; F359-M397 CarbonylContact C-O 3.51Å; F359-M397 WeakPolarHBondContact CA-O 3.39Å; I360-M397 PolarHBondContact N-O 2.79Å; M397-V441 HydrophobicContact CG-CG1 4.34Å; M397-V441 HydrophobicContact SD-CG1 3.5Å; M397-V441 VanDerWaalsContact SD-CG1 3.5Å; M397-V443 HydrophobicContact CG-CG2 3.75Å; M397-V443 HydrophobicContact SD-CG2 3.96Å; M397-V449 CarbonylContact C-O 3.58Å; M397-V449 VanDerWaalsContact CA-O 3.27Å; M397-V449 WeakPolarHBondContact CA-O 3.4Å; M397-V449 HydrophobicContact CG-CB 4.29Å; M397-L451 HydrophobicContact CB-CD1 4.07Å; M397-L451 HydrophobicContact CB-CD2 4.43Å; M397-L451 HydrophobicContact CB-CG 4.16Å; M397-L451 HydrophobicContact CG-CD2 4.34Å; M397-L474 VanDerWaalsContact CE-O 3.3Å; M397-L474 WeakPolarHBondContact CE-O 3.46Å; M397-L474 HydrophobicContact SD-CB 4.45Å; M397-C475 HydrophobicContact CE-CB 4.33Å |
| 398 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 142 | 171.2 | 68.7 | 0 | 0 | 0 | 0 | 109.6 | I360 A362 L364 I386 L448 V449 V450 L451 | I360-V398 HydrophobicContact CB-CG2 4.35Å; I360-V398 HydrophobicContact CG2-CG2 4.48Å; I360-V398 WeakPolarHBondContact O-CA 3.37Å; A362-V398 HydrophobicContact CB-CG2 3.86Å; L364-V398 HydrophobicContact CD1-CG2 4.1Å; I386-V398 HydrophobicContact CD1-CG2 4.14Å; I386-V398 HydrophobicContact CG1-CG2 4.35Å; V398-L448 HydrophobicContact CB-CD1 4.16Å; V398-L448 HydrophobicContact CG1-CD1 3.73Å; V398-L448 HydrophobicContact CG1-CD2 4.37Å; V398-L448 HydrophobicContact CG1-CG 4.21Å; V398-V449 PolarHBondContact N-O 3.24Å; V398-V450 HydrophobicContact CG1-CB 4.32Å; V398-V450 HydrophobicContact CG1-CG1 4.39Å; V398-V450 HydrophobicContact CG1-CG2 3.77Å; V398-V450 CarbonylContact O-C 3.59Å; V398-V450 VanDerWaalsContact O-CA 3.29Å; V398-V450 WeakPolarHBondContact O-CA 3.46Å; V398-L451 PolarHBondContact O-N 3.1Å |
| 399 | T | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 166.1 | 171.6 | -162.4 | 0 | 0 | 0 | 0 | 111.2 | F359 I360 A362 L451 E452 V454 | F359-T399 HydrophobicContact CE1-CG2 3.51Å; F359-T399 HydrophobicContact CZ-CG2 3.47Å; F359-T399 VanDerWaalsContact CZ-CG2 3.47Å; I360-T399 PolarHBondContact O-N 2.91Å; A362-T399 PolarHBondContact N-O 2.75Å; A362-T399 VanDerWaalsContact N-O 3.08Å; T399-L451 PolarHBondContact OG1-O 2.92Å; T399-E452 PolarHBondContact OG1-O 3.23Å; T399-V454 HydrophobicContact CG2-CG1 3.48Å; T399-V454 VanDerWaalsContact CG2-CG1 3.48Å; T399-V454 WeakPolarHBondContact OG1-CG1 3.31Å |
| 400 | S | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -154.9 | 170.3 | 176.8 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | A362 L364 N453 V454 | A362-S400 WeakPolarHBondContact O-CB 3.14Å; A362-S400 PolarHBondContact O-OG 3.4Å; L364-S400 WeakPolarHBondContact CA-OG 3.43Å; L364-S400 PolarHBondContact N-OG 3.06Å; S400-N453 WeakPolarHBondContact O-CA 3.34Å; S400-V454 PolarHBondContact O-N 3.11Å; S400-V454 VanDerWaalsContact O-N 3.14Å | ||
| 401 | H | 97.9 | Very high | 96.8 | Very high | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.046 | 24% | 0.241 | C | C | . | . | trans | -84.9 | 152.6 | 155.7 | 69.4 | -60.7 | 0 | 0 | 0 | 110.4 | R361 D363 N365 N453 V454 R455 T485 | R361-H401 PolarHBondContact NH2-ND1 3.1Å; D363-H401 IonicContact OD1-CE1 2.67Å; D363-H401 PolarHBondContact OD1-CE1 3.02Å; N365-H401 WeakPolarHBondContact CB-NE2 3.47Å; N365-H401 WeakPolarHBondContact CB-O 3.46Å; H401-N453 WeakPolarHBondContact CA-OD1 3.49Å; H401-V454 HydrophobicContact CB-CG2 4.23Å; H401-R455 HydrophobicContact CB-CG 3.92Å; H401-R455 PolarHBondContact CD2-NH1 3.35Å; H401-T485 WeakPolarHBondContact CE1-CG2 3.36Å | ||
| 402 | L | 97.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | trans | -137.3 | 127.9 | 165.9 | -170 | 78.2 | 0 | 0 | 0 | 108.4 | V366 V368 P405 S415 L416 N453 | V366-L402 HydrophobicContact CG2-CD1 4.37Å; V366-L402 WeakPolarHBondContact O-CD1 3.38Å; V368-L402 HydrophobicContact CG2-CD1 4.43Å; V368-L402 HydrophobicContact CG2-CD2 4.33Å; L402-P405 VanDerWaalsContact O-CD 3.28Å; L402-P405 WeakPolarHBondContact O-CD 3.27Å; L402-S415 WeakPolarHBondContact CD2-O 3.25Å; L402-L416 HydrophobicContact CB-CD2 4.02Å; L402-N453 PolarHBondContact N-ND2 2.87Å; L402-N453 PolarHBondContact N-OD1 3.45Å; L402-N453 PolarHBondContact O-ND2 2.66Å | ||
| 403 | G | 94.8 | Very high | 96.8 | Very high | 22 Ų | 22 | 48.8 Ų | 48.8 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 58.3 | -145.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N365 R455 | N365-G403 PolarHBondContact OD1-N 2.8Å; G403-R455 PolarHBondContact O-NH1 3.1Å |
| 404 | R | 94 | Very high | 96.9 | Very high | 220 Ų | 220 | 49.8 Ų | 49.8 | 83% | 0.83 | 25% | 0.245 | S | C | * | . | trans | -132.8 | 60.5 | -176.1 | -61.8 | -177 | -178.6 | -174.8 | 1 | 111.8 | ||||
| 405 | P | 96.7 | Very high | 97 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.019 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 164.7 | 177.1 | 30.3 | -36.9 | 0 | 0 | 0 | 112.6 | L402 F414 R455 F456 K461 | L402-P405 VanDerWaalsContact O-CD 3.28Å; L402-P405 WeakPolarHBondContact O-CD 3.27Å; P405-F414 HydrophobicContact CB-CB 4.11Å; P405-F414 HydrophobicContact CB-CD2 3.73Å; P405-F414 HydrophobicContact CB-CG 4.12Å; P405-F414 HydrophobicContact CG-CB 4.31Å; P405-R455 HydrophobicContact CG-CB 3.61Å; P405-F456 HydrophobicContact CB-CD1 3.73Å; P405-F456 HydrophobicContact CB-CE1 3.45Å; P405-F456 VanDerWaalsContact CB-CE1 3.45Å; P405-F456 HydrophobicContact CB-CZ 4.39Å; P405-F456 HydrophobicContact CG-CD1 4.14Å; P405-F456 HydrophobicContact CG-CE1 4.03Å; P405-K461 PolarHBondContact O-NZ 2.95Å |
| 406 | T | 97.3 | Very high | 97 | Very high | 87 Ų | 87 | 47.1 Ų | 47.1 | 53% | 0.534 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -84.8 | 131.3 | 169.5 | -56.3 | 0 | 0 | 0 | 0 | 109.6 | G408 E409 | T406-G408 PolarHBondContact O-N 3.14Å; T406-E409 HydrophobicContact CG2-CB 4.45Å; T406-E409 PolarHBondContact O-N 3.12Å |
| 407 | E | 97.7 | Very high | 97 | Very high | 49 Ų | 49 | 50.1 Ų | 50.1 | 23% | 0.229 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 132 | 179 | -69.2 | -178.1 | -168.7 | 0 | 0 | 111 | E409 G459 K461 | E407-E409 VanDerWaalsContact C-N 3.31Å; E407-G459 PolarHBondContact OE2-N 3.49Å; E407-K461 WeakPolarHBondContact OE1-CB 3.33Å; E407-K461 WeakPolarHBondContact OE1-CD 3.23Å; E407-K461 WeakPolarHBondContact OE1-CG 3.18Å; E407-K461 PolarHBondContact OE1-N 3.09Å |
| 408 | G | 95.2 | Very high | 96.9 | Very high | 45 Ų | 45 | 50.8 Ų | 50.8 | 46% | 0.464 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -2.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | T406 F456 | T406-G408 PolarHBondContact O-N 3.14Å; G408-F456 WeakPolarHBondContact CA-O 3.43Å; G408-F456 PolarHBondContact N-O 3.11Å |
| 409 | E | 95.7 | Very high | 96.9 | Very high | 117 Ų | 117 | 50.8 Ų | 50.8 | 55% | 0.547 | 25% | 0.253 | S | S | . | . | trans | -119.6 | 102.5 | -179.8 | -171.4 | -175.8 | 164.4 | 0 | 0 | 109.4 | T406 E407 N411 F456 | T406-E409 HydrophobicContact CG2-CB 4.45Å; T406-E409 PolarHBondContact O-N 3.12Å; E407-E409 VanDerWaalsContact C-N 3.31Å; E409-N411 PolarHBondContact O-N 2.55Å; E409-F456 VanDerWaalsContact O-CD1 3.29Å; E409-F456 WeakPolarHBondContact O-CD1 3.44Å | ||
| 410 | Y | 97 | Very high | 96.9 | Very high | 95 Ų | 95 | 50.8 Ų | 50.8 | 37% | 0.373 | 25% | 0.253 | S | S | . | . | trans | -66.4 | 132.4 | 176.5 | 178.5 | -90 | 0 | 0 | 0 | 110.5 | E412 K435 E452 F456 | Y410-E412 HydrophobicContact CE1-CB 4.41Å; Y410-E412 WeakPolarHBondContact CE1-OE2 3.41Å; Y410-E412 VanDerWaalsContact CZ-OE2 3.29Å; Y410-E412 VanDerWaalsContact OH-CD 3.27Å; Y410-E412 PolarHBondContact OH-OE2 3.25Å; Y410-K435 HydrophobicContact CE2-CD 4.14Å; Y410-K435 WeakPolarHBondContact OH-CE 3.41Å; Y410-K435 PolarHBondContact OH-NZ 3.09Å; Y410-E452 HydrophobicContact CE2-CG 4.2Å; Y410-F456 HydrophobicContact CD2-CD2 4.05Å; Y410-F456 AromaticContact CD2-CE2 3.86Å; Y410-F456 HydrophobicContact CD2-CE2 3.86Å; Y410-F456 HydrophobicContact CD2-CZ 4.27Å; Y410-F456 HydrophobicContact CE2-CD2 4.48Å; Y410-F456 AromaticContact CE2-CE2 3.97Å; Y410-F456 HydrophobicContact CE2-CE2 3.97Å; Y410-F456 HydrophobicContact CE2-CZ 4.49Å | ||
| 411 | N | 95.4 | Very high | 96.8 | Very high | 57 Ų | 57 | 54.1 Ų | 54.1 | 31% | 0.305 | 27% | 0.271 | S | S | . | . | trans | -137 | 121.9 | 175.6 | -179.6 | -19 | 0 | 0 | 0 | 109.8 | E409 E413 F414 S415 F456 | E409-N411 PolarHBondContact O-N 2.55Å; N411-E413 PolarHBondContact O-N 3.29Å; N411-E413 WeakPolarHBondContact OD1-CB 3.49Å; N411-E413 PolarHBondContact OD1-N 3.44Å; N411-F414 HydrophobicContact CB-CD2 4Å; N411-F414 PolarHBondContact O-N 3.04Å; N411-S415 PolarHBondContact O-N 3.23Å; N411-F456 HydrophobicContact CB-CE1 4.3Å; N411-F456 VanDerWaalsContact O-CZ 3.25Å; N411-F456 WeakPolarHBondContact O-CZ 3.43Å | ||
| 412 | E | 95.6 | Very high | 96.7 | Very high | 98 Ų | 98 | 55.2 Ų | 55.2 | 46% | 0.458 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -58.9 | -30.1 | -177.6 | -162.2 | 68 | -153.2 | 0 | 0 | 112.8 | Y410 F414 S415 K435 | Y410-E412 HydrophobicContact CE1-CB 4.41Å; Y410-E412 WeakPolarHBondContact CE1-OE2 3.41Å; Y410-E412 VanDerWaalsContact CZ-OE2 3.29Å; Y410-E412 VanDerWaalsContact OH-CD 3.27Å; Y410-E412 PolarHBondContact OH-OE2 3.25Å; E412-F414 PolarHBondContact O-N 2.69Å; E412-S415 WeakPolarHBondContact O-CB 3.38Å; E412-S415 PolarHBondContact O-N 3.25Å; E412-S415 VanDerWaalsContact O-N 3.14Å; E412-K435 IonicContact OE2-NZ 2.7Å |
| 413 | E | 95.3 | Very high | 96.7 | Very high | 136 Ų | 136 | 55 Ų | 55 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -59.3 | -32.9 | 175.9 | -171.6 | -174.3 | 161.1 | 0 | 0 | 112.4 | N411 | N411-E413 PolarHBondContact O-N 3.29Å; N411-E413 WeakPolarHBondContact OD1-CB 3.49Å; N411-E413 PolarHBondContact OD1-N 3.44Å |
| 414 | F | 97.2 | Very high | 96.8 | Very high | 45 Ų | 45 | 59.1 Ų | 59.1 | 20% | 0.197 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -103.6 | 12.8 | 179.8 | -53.3 | -58.6 | 0 | 0 | 0 | 113 | P405 N411 E412 N453 F456 | P405-F414 HydrophobicContact CB-CB 4.11Å; P405-F414 HydrophobicContact CB-CD2 3.73Å; P405-F414 HydrophobicContact CB-CG 4.12Å; P405-F414 HydrophobicContact CG-CB 4.31Å; N411-F414 HydrophobicContact CB-CD2 4Å; N411-F414 PolarHBondContact O-N 3.04Å; E412-F414 PolarHBondContact O-N 2.69Å; F414-N453 PolarHBondContact O-ND2 3.11Å; F414-F456 HydrophobicContact CB-CE1 4.22Å; F414-F456 HydrophobicContact CB-CZ 3.85Å |
| 415 | S | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.007 | 28% | 0.278 | C | S | . | . | trans | -69.6 | 147.3 | 174.4 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | L402 N411 E412 L417 P418 E452 | L402-S415 WeakPolarHBondContact CD2-O 3.25Å; N411-S415 PolarHBondContact O-N 3.23Å; E412-S415 WeakPolarHBondContact O-CB 3.38Å; E412-S415 PolarHBondContact O-N 3.25Å; E412-S415 VanDerWaalsContact O-N 3.14Å; S415-L417 PolarHBondContact O-N 3.38Å; S415-L417 WeakPolarHBondContact OG-CB 3.22Å; S415-L417 PolarHBondContact OG-N 2.89Å; S415-L417 VanDerWaalsContact OG-N 3.1Å; S415-P418 VanDerWaalsContact O-CD 3.25Å; S415-P418 WeakPolarHBondContact O-CD 3.32Å; S415-E452 WeakPolarHBondContact CB-OE2 3.46Å; S415-E452 PolarHBondContact OG-OE1 2.67Å; S415-E452 PolarHBondContact OG-OE2 3.1Å | ||
| 416 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -77.2 | 1.5 | 170.8 | -72.2 | 174.4 | 0 | 0 | 0 | 113.4 | L402 P418 V419 V420 L433 V450 L451 E452 N453 | L402-L416 HydrophobicContact CB-CD2 4.02Å; L416-P418 VanDerWaalsContact C-CD 3.45Å; L416-V419 HydrophobicContact CD2-CB 4.42Å; L416-V419 HydrophobicContact CD2-CG2 4.04Å; L416-V419 WeakPolarHBondContact O-CA 3.34Å; L416-V419 WeakPolarHBondContact O-CB 3.26Å; L416-V419 PolarHBondContact O-N 2.77Å; L416-V420 WeakPolarHBondContact O-CG2 3.07Å; L416-V420 PolarHBondContact O-N 3.42Å; L416-L433 HydrophobicContact CB-CD1 4.26Å; L416-V450 HydrophobicContact CB-CG1 4.22Å; L416-V450 HydrophobicContact CD1-CG1 4.13Å; L416-L451 WeakPolarHBondContact CD1-O 3.47Å; L416-E452 PolarHBondContact N-OE1 2.93Å; L416-N453 HydrophobicContact CG-CB 4.28Å |
| 417 | L | 98.2 | Very high | 96.6 | Very high | 62 Ų | 62 | 56.1 Ų | 56.1 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -50.6 | -43.4 | 177.9 | -179.1 | 62.6 | 0 | 0 | 0 | 114.3 | S415 V419 V420 N421 L433 | S415-L417 PolarHBondContact O-N 3.38Å; S415-L417 WeakPolarHBondContact OG-CB 3.22Å; S415-L417 PolarHBondContact OG-N 2.89Å; S415-L417 VanDerWaalsContact OG-N 3.1Å; L417-V419 VanDerWaalsContact C-N 3.27Å; L417-V419 PolarHBondContact O-N 2.88Å; L417-V420 WeakPolarHBondContact O-CB 3.45Å; L417-V420 PolarHBondContact O-N 3.05Å; L417-N421 VanDerWaalsContact O-CG 3.32Å; L417-N421 PolarHBondContact O-N 3.48Å; L417-N421 PolarHBondContact O-ND2 3.02Å; L417-L433 HydrophobicContact CB-CD2 4.02Å; L417-L433 HydrophobicContact CD1-CD2 4.28Å |
| 418 | P | 97.7 | Very high | 96.4 | Very high | 14 Ų | 14 | 59.8 Ų | 59.8 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.1 | -36.5 | 175.1 | -25.4 | 37.2 | 0 | 0 | 0 | 113.2 | V368 G371 V373 S415 L416 N421 Y422 | V368-P418 HydrophobicContact CG1-CB 4.14Å; V368-P418 HydrophobicContact CG1-CG 3.86Å; V368-P418 HydrophobicContact CG2-CB 4.2Å; V368-P418 HydrophobicContact CG2-CG 4.41Å; G371-P418 WeakPolarHBondContact O-CB 3.46Å; V373-P418 HydrophobicContact CG2-CB 4.27Å; S415-P418 VanDerWaalsContact O-CD 3.25Å; S415-P418 WeakPolarHBondContact O-CD 3.32Å; L416-P418 VanDerWaalsContact C-CD 3.45Å; P418-N421 PolarHBondContact O-N 2.87Å; P418-Y422 PolarHBondContact O-N 3.5Å; P418-Y422 VanDerWaalsContact O-N 3.07Å |
| 419 | V | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70 | -40.1 | 176.6 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | L364 V366 I379 L416 L417 N421 Y422 L423 | L364-V419 HydrophobicContact CB-CG1 4.13Å; L364-V419 HydrophobicContact CD1-CG1 3.96Å; L364-V419 HydrophobicContact CG-CG1 4.48Å; V366-V419 HydrophobicContact CG2-CG2 3.84Å; I379-V419 HydrophobicContact CD1-CG1 4.12Å; I379-V419 HydrophobicContact CG1-CG1 4.28Å; L416-V419 HydrophobicContact CD2-CB 4.42Å; L416-V419 HydrophobicContact CD2-CG2 4.04Å; L416-V419 WeakPolarHBondContact O-CA 3.34Å; L416-V419 WeakPolarHBondContact O-CB 3.26Å; L416-V419 PolarHBondContact O-N 2.77Å; L417-V419 VanDerWaalsContact C-N 3.27Å; L417-V419 PolarHBondContact O-N 2.88Å; V419-N421 VanDerWaalsContact C-N 3.33Å; V419-N421 PolarHBondContact O-N 3.34Å; V419-Y422 PolarHBondContact O-N 2.79Å; V419-L423 HydrophobicContact CG1-CD1 4.1Å; V419-L423 HydrophobicContact CG1-CG 4.44Å; V419-L423 WeakPolarHBondContact O-CG 3.32Å; V419-L423 PolarHBondContact O-N 3.02Å |
| 420 | V | 98 | Very high | 96.4 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59 | -45.7 | 173.6 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | L416 L417 Y422 L423 K424 V431 L433 V450 | L416-V420 WeakPolarHBondContact O-CG2 3.07Å; L416-V420 PolarHBondContact O-N 3.42Å; L417-V420 WeakPolarHBondContact O-CB 3.45Å; L417-V420 PolarHBondContact O-N 3.05Å; V420-Y422 VanDerWaalsContact C-N 3.33Å; V420-Y422 PolarHBondContact O-N 3.45Å; V420-L423 PolarHBondContact O-N 3.24Å; V420-K424 WeakPolarHBondContact O-CG 3.42Å; V420-K424 PolarHBondContact O-N 2.96Å; V420-V431 HydrophobicContact CG1-CG1 4.14Å; V420-L433 HydrophobicContact CG1-CB 4.46Å; V420-L433 HydrophobicContact CG2-CB 3.85Å; V420-L433 HydrophobicContact CG2-CD1 3.9Å; V420-L433 HydrophobicContact CG2-CG 4.39Å; V420-V450 HydrophobicContact CG2-CB 3.62Å; V420-V450 HydrophobicContact CG2-CG1 3.8Å; V420-V450 HydrophobicContact CG2-CG2 3.78Å |
| 421 | N | 96.7 | Very high | 96.5 | Very high | 69 Ų | 69 | 54.1 Ų | 54.1 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 177.8 | -66.6 | -22.3 | 0 | 0 | 0 | 111 | L417 P418 V419 L423 K424 D425 | L417-N421 VanDerWaalsContact O-CG 3.32Å; L417-N421 PolarHBondContact O-N 3.48Å; L417-N421 PolarHBondContact O-ND2 3.02Å; P418-N421 PolarHBondContact O-N 2.87Å; V419-N421 VanDerWaalsContact C-N 3.33Å; V419-N421 PolarHBondContact O-N 3.34Å; N421-L423 PolarHBondContact O-N 2.81Å; N421-K424 PolarHBondContact O-N 3.33Å; N421-D425 PolarHBondContact O-N 3.42Å |
| 422 | Y | 96.9 | Very high | 96.6 | Very high | 33 Ų | 33 | 55.4 Ų | 55.4 | 13% | 0.129 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 175.2 | -177.1 | -79.5 | 0 | 0 | 0 | 112.4 | V373 D376 I379 P418 V419 V420 D425 K426 | V373-Y422 HydrophobicContact CB-CD2 4.47Å; D376-Y422 HydrophobicContact CB-CD2 4.38Å; D376-Y422 HydrophobicContact CB-CE1 4.42Å; D376-Y422 HydrophobicContact CB-CE2 3.51Å; D376-Y422 PolarHBondContact OD2-OH 3.17Å; I379-Y422 HydrophobicContact CB-CD1 4.27Å; I379-Y422 HydrophobicContact CB-CE1 4.11Å; I379-Y422 HydrophobicContact CD1-CD1 3.83Å; I379-Y422 HydrophobicContact CD1-CE1 4.3Å; I379-Y422 HydrophobicContact CD1-CG 3.97Å; I379-Y422 HydrophobicContact CG2-CD1 3.64Å; I379-Y422 HydrophobicContact CG2-CE1 3.66Å; P418-Y422 PolarHBondContact O-N 3.5Å; P418-Y422 VanDerWaalsContact O-N 3.07Å; V419-Y422 PolarHBondContact O-N 2.79Å; V420-Y422 VanDerWaalsContact C-N 3.33Å; V420-Y422 PolarHBondContact O-N 3.45Å; Y422-D425 PolarHBondContact O-N 3.31Å; Y422-K426 HydrophobicContact CD1-CG 4.06Å; Y422-K426 HydrophobicContact CE1-CD 4.41Å; Y422-K426 HydrophobicContact CE1-CG 3.56Å; Y422-K426 WeakPolarHBondContact O-CG 3.47Å; Y422-K426 PolarHBondContact O-N 3.5Å |
| 423 | L | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66 | -37.6 | 179.7 | -73.6 | 170.2 | 0 | 0 | 0 | 112.3 | I379 L383 I386 V419 V420 N421 D425 K426 L427 V431 L448 V450 | I379-L423 HydrophobicContact CG2-CD2 3.74Å; I379-L423 HydrophobicContact CG2-CG 4.32Å; L383-L423 HydrophobicContact CD2-CD2 3.77Å; L383-L423 HydrophobicContact CG-CD2 4.38Å; I386-L423 HydrophobicContact CD1-CD2 4.5Å; V419-L423 HydrophobicContact CG1-CD1 4.1Å; V419-L423 HydrophobicContact CG1-CG 4.44Å; V419-L423 WeakPolarHBondContact O-CG 3.32Å; V419-L423 PolarHBondContact O-N 3.02Å; V420-L423 PolarHBondContact O-N 3.24Å; N421-L423 PolarHBondContact O-N 2.81Å; L423-D425 PolarHBondContact O-N 2.96Å; L423-K426 PolarHBondContact O-N 3.37Å; L423-K426 VanDerWaalsContact O-N 3.08Å; L423-L427 HydrophobicContact CD2-CD1 4.32Å; L423-L427 PolarHBondContact O-N 3.32Å; L423-V431 HydrophobicContact CB-CG1 4.14Å; L423-V431 HydrophobicContact CB-CG2 4.43Å; L423-L448 HydrophobicContact CD1-CD2 4.19Å; L423-V450 HydrophobicContact CD1-CG2 3.99Å |
| 424 | K | 96.6 | Very high | 96.9 | Very high | 109 Ų | 109 | 47.1 Ų | 47.1 | 47% | 0.474 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.9 | -36.7 | 172.5 | -75.9 | 178.7 | 174.6 | 177.9 | 0 | 112.4 | V420 N421 K426 V431 | V420-K424 WeakPolarHBondContact O-CG 3.42Å; V420-K424 PolarHBondContact O-N 2.96Å; N421-K424 PolarHBondContact O-N 3.33Å; K424-K426 VanDerWaalsContact C-N 3.26Å; K424-K426 PolarHBondContact O-N 3.26Å; K424-V431 WeakPolarHBondContact CE-O 3.27Å; K424-V431 HydrophobicContact CG-CB 3.81Å; K424-V431 HydrophobicContact CG-CG2 4.38Å |
| 425 | D | 94.6 | Very high | 96.9 | Very high | 128 Ų | 128 | 50.3 Ų | 50.3 | 68% | 0.684 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -11.4 | 179.5 | -64.4 | -20.1 | 0 | 0 | 0 | 113.1 | N421 Y422 L423 | N421-D425 PolarHBondContact O-N 3.42Å; Y422-D425 PolarHBondContact O-N 3.31Å; L423-D425 PolarHBondContact O-N 2.96Å |
| 426 | K | 93.8 | Very high | 96.8 | Very high | 105 Ų | 105 | 56.5 Ų | 56.5 | 46% | 0.457 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -27.2 | -176.2 | -65.5 | -66.5 | 168.4 | -67.6 | 0 | 114.1 | L383 Y422 L423 K424 | L383-K426 HydrophobicContact CD1-CB 4.28Å; Y422-K426 HydrophobicContact CD1-CG 4.06Å; Y422-K426 HydrophobicContact CE1-CD 4.41Å; Y422-K426 HydrophobicContact CE1-CG 3.56Å; Y422-K426 WeakPolarHBondContact O-CG 3.47Å; Y422-K426 PolarHBondContact O-N 3.5Å; L423-K426 PolarHBondContact O-N 3.37Å; L423-K426 VanDerWaalsContact O-N 3.08Å; K424-K426 VanDerWaalsContact C-N 3.26Å; K424-K426 PolarHBondContact O-N 3.26Å |
| 427 | L | 94.7 | Very high | 96.8 | Very high | 15 Ų | 15 | 56.7 Ų | 56.7 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | trans | -106.6 | 136.7 | 179.9 | -67.5 | 169.8 | 0 | 0 | 0 | 110.3 | L383 I386 E387 L390 L423 N429 V431 L448 | L383-L427 HydrophobicContact CD2-CD1 4.14Å; L383-L427 HydrophobicContact CD2-CD2 3.96Å; L383-L427 HydrophobicContact CD2-CG 3.99Å; I386-L427 HydrophobicContact CG2-CD1 4.27Å; E387-L427 HydrophobicContact CG-CD2 3.72Å; L390-L427 HydrophobicContact CD1-CD1 4.38Å; L423-L427 HydrophobicContact CD2-CD1 4.32Å; L423-L427 PolarHBondContact O-N 3.32Å; L427-N429 PolarHBondContact O-N 2.82Å; L427-V431 HydrophobicContact CB-CG2 4.31Å; L427-V431 HydrophobicContact CD1-CG2 4.28Å; L427-L448 HydrophobicContact CD1-CD2 3.53Å | ||
| 428 | S | 94 | Very high | 96.7 | Very high | 126 Ų | 126 | 55.8 Ų | 55.8 | 88% | 0.881 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -72 | -19.4 | 169.1 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 429 | N | 95.6 | Very high | 96.5 | Very high | 46 Ų | 46 | 59.1 Ų | 59.1 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -70.4 | 147 | 178.8 | -59 | 81.4 | 0 | 0 | 0 | 111 | L390 L427 V431 G446 | L390-N429 HydrophobicContact CD1-CB 4.25Å; L427-N429 PolarHBondContact O-N 2.82Å; N429-V431 WeakPolarHBondContact O-CG2 3.37Å; N429-V431 PolarHBondContact O-N 2.84Å; N429-G446 WeakPolarHBondContact CB-O 3.31Å; N429-G446 PolarHBondContact ND2-O 3.47Å |
| 430 | P | 96.3 | Very high | 96.3 | Very high | 82 Ų | 82 | 61 Ų | 61 | 53% | 0.532 | 35% | 0.347 | S | S | . | . | trans | -63.3 | 124.7 | 173.9 | 23.5 | -29.4 | 0 | 0 | 0 | 110.4 | E447 L448 | P430-E447 HydrophobicContact CG-CB 3.73Å; P430-L448 PolarHBondContact O-N 3.37Å | ||
| 431 | V | 98.1 | Very high | 96.2 | Very high | 10 Ų | 10 | 61.7 Ų | 61.7 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 130.7 | 177.5 | -167.4 | 0 | 0 | 0 | 0 | 110.2 | V420 L423 K424 L427 N429 L448 V450 | V420-V431 HydrophobicContact CG1-CG1 4.14Å; L423-V431 HydrophobicContact CB-CG1 4.14Å; L423-V431 HydrophobicContact CB-CG2 4.43Å; K424-V431 WeakPolarHBondContact CE-O 3.27Å; K424-V431 HydrophobicContact CG-CB 3.81Å; K424-V431 HydrophobicContact CG-CG2 4.38Å; L427-V431 HydrophobicContact CB-CG2 4.31Å; L427-V431 HydrophobicContact CD1-CG2 4.28Å; N429-V431 WeakPolarHBondContact O-CG2 3.37Å; N429-V431 PolarHBondContact O-N 2.84Å; V431-L448 VanDerWaalsContact CA-O 3.3Å; V431-L448 WeakPolarHBondContact CA-O 3.5Å; V431-L448 HydrophobicContact CG1-CB 4.28Å; V431-L448 HydrophobicContact CG1-CD2 3.95Å; V431-L448 HydrophobicContact CG1-CG 4.14Å; V431-L448 HydrophobicContact CG2-CB 4.2Å; V431-L448 HydrophobicContact CG2-CD2 4.17Å; V431-V450 HydrophobicContact CG1-CG2 3.87Å |
| 432 | R | 97.7 | Very high | 96 | Very high | 84 Ų | 84 | 65.4 Ų | 65.4 | 32% | 0.317 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 152.5 | 172.3 | 70.9 | 174.1 | 175 | -74.8 | 0 | 112.9 | V434 D442 E447 L448 V449 V450 | R432-V434 HydrophobicContact CG-CG2 4.38Å; R432-D442 PolarHBondContact NH2-O 2.83Å; R432-E447 IonicContact CZ-OE1 3.63Å; R432-E447 VanDerWaalsContact CZ-OE1 3.28Å; R432-E447 IonicContact CZ-OE2 2.69Å; R432-E447 IonicContact NH1-OE1 2.71Å; R432-E447 PolarHBondContact NH1-OE1 3.4Å; R432-E447 IonicContact NH1-OE2 2.92Å; R432-E447 PolarHBondContact NH1-OE2 2.91Å; R432-E447 IonicContact NH2-OE1 3.71Å; R432-E447 PolarHBondContact NH2-OE1 2.66Å; R432-E447 IonicContact NH2-OE2 2.85Å; R432-L448 PolarHBondContact N-O 3.13Å; R432-L448 VanDerWaalsContact N-O 3.11Å; R432-V449 HydrophobicContact CG-CG2 4.23Å; R432-V449 VanDerWaalsContact CZ-CG2 3.45Å; R432-V450 PolarHBondContact O-N 2.98Å |
| 433 | L | 98.4 | Very high | 95.9 | Very high | 36 Ų | 36 | 64.5 Ų | 64.5 | 19% | 0.188 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 137.4 | 169.9 | -176 | 65.9 | 0 | 0 | 0 | 109.8 | L416 L417 V420 K435 V450 E452 | L416-L433 HydrophobicContact CB-CD1 4.26Å; L417-L433 HydrophobicContact CB-CD2 4.02Å; L417-L433 HydrophobicContact CD1-CD2 4.28Å; V420-L433 HydrophobicContact CG1-CB 4.46Å; V420-L433 HydrophobicContact CG2-CB 3.85Å; V420-L433 HydrophobicContact CG2-CD1 3.9Å; V420-L433 HydrophobicContact CG2-CG 4.39Å; L433-K435 HydrophobicContact CD2-CG 4.37Å; L433-K435 HydrophobicContact CG-CG 4.49Å; L433-V450 CarbonylContact C-O 3.55Å; L433-V450 WeakPolarHBondContact CA-O 3.46Å; L433-V450 HydrophobicContact CD1-CB 4.48Å; L433-V450 HydrophobicContact CD1-CG1 4.33Å; L433-E452 HydrophobicContact CD1-CB 4.18Å |
| 434 | V | 98.4 | Very high | 95.6 | Very high | 24 Ų | 24 | 67 Ų | 67 | 15% | 0.145 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 117 | 170.7 | 178.3 | 0 | 0 | 0 | 0 | 109 | R432 D436 Y437 V441 V449 V450 L451 E452 | R432-V434 HydrophobicContact CG-CG2 4.38Å; V434-D436 VanDerWaalsContact CG1-O 3.31Å; V434-D436 WeakPolarHBondContact CG1-O 3.18Å; V434-Y437 WeakPolarHBondContact O-CD1 3.35Å; V434-V441 HydrophobicContact CB-CG2 4.48Å; V434-V441 HydrophobicContact CG1-CG2 4.09Å; V434-V441 HydrophobicContact CG2-CG2 4.18Å; V434-V449 HydrophobicContact CB-CG1 3.98Å; V434-V449 HydrophobicContact CG2-CG1 3.51Å; V434-V450 PolarHBondContact N-O 3.35Å; V434-L451 HydrophobicContact CB-CD2 4.49Å; V434-E452 WeakPolarHBondContact O-CB 3.36Å; V434-E452 PolarHBondContact O-N 2.7Å |
| 435 | K | 97.6 | Very high | 95.2 | Very high | 111 Ų | 111 | 67.7 Ų | 67.7 | 48% | 0.483 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -84.7 | -40.5 | -177.7 | -65.3 | -171.9 | 179.5 | -173.3 | 0 | 113.1 | Y410 E412 L433 E452 | Y410-K435 HydrophobicContact CE2-CD 4.14Å; Y410-K435 WeakPolarHBondContact OH-CE 3.41Å; Y410-K435 PolarHBondContact OH-NZ 3.09Å; E412-K435 IonicContact OE2-NZ 2.7Å; L433-K435 HydrophobicContact CD2-CG 4.37Å; L433-K435 HydrophobicContact CG-CG 4.49Å; K435-E452 HydrophobicContact CG-CB 4.36Å; K435-E452 HydrophobicContact CG-CG 4.3Å |
| 436 | D | 96 | Very high | 94.7 | Very high | 132 Ų | 132 | 62.7 Ų | 62.7 | 71% | 0.706 | 37% | 0.372 | S | S | * | . | trans | -109.3 | 107.6 | 175.8 | -170.8 | 2.5 | 0 | 0 | 0 | 109.4 | V434 | V434-D436 VanDerWaalsContact CG1-O 3.31Å; V434-D436 WeakPolarHBondContact CG1-O 3.18Å | ||
| 437 | Y | 98 | Very high | 94.8 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | trans | -134.3 | -11.2 | -174.2 | 55.8 | -90.4 | 0 | 0 | 0 | 113.3 | V434 G439 G440 L451 E452 N457 Y471 L474 | V434-Y437 WeakPolarHBondContact O-CD1 3.35Å; Y437-G439 PolarHBondContact O-N 2.86Å; Y437-G440 CarbonylContact O-C 3.58Å; Y437-G440 PolarHBondContact O-N 3.16Å; Y437-G440 VanDerWaalsContact O-N 3.09Å; Y437-L451 HydrophobicContact CD1-CB 4.01Å; Y437-L451 HydrophobicContact CD1-CD2 4.34Å; Y437-L451 HydrophobicContact CD2-CB 4.17Å; Y437-L451 HydrophobicContact CD2-CD1 3.91Å; Y437-L451 HydrophobicContact CD2-CD2 4.15Å; Y437-L451 HydrophobicContact CD2-CG 4.31Å; Y437-L451 HydrophobicContact CE1-CB 3.94Å; Y437-L451 HydrophobicContact CE2-CB 4.05Å; Y437-L451 HydrophobicContact CE2-CD1 4.05Å; Y437-L451 HydrophobicContact CG-CB 4.12Å; Y437-L451 HydrophobicContact CG-CD1 4.43Å; Y437-L451 HydrophobicContact CG-CD2 3.85Å; Y437-L451 HydrophobicContact CG-CG 4.37Å; Y437-E452 HydrophobicContact CE1-CB 4.3Å; Y437-E452 PolarHBondContact OH-O 2.94Å; Y437-E452 VanDerWaalsContact OH-O 3.12Å; Y437-N457 PolarHBondContact OH-ND2 2.96Å; Y437-Y471 HydrophobicContact CE2-CD1 4.17Å; Y437-Y471 AromaticContact CE2-CE1 3.74Å; Y437-Y471 HydrophobicContact CE2-CE1 3.74Å; Y437-L474 HydrophobicContact CD2-CD1 3.86Å; Y437-L474 WeakPolarHBondContact O-CD1 3.42Å; Y437-L474 WeakPolarHBondContact O-CD2 3.28Å | ||
| 438 | L | 96.2 | Very high | 94.9 | Very high | 44 Ų | 44 | 58 Ų | 58 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -17.3 | -177.1 | -69 | 178.9 | 0 | 0 | 0 | 113.1 | L467 K470 Y471 | L438-L467 HydrophobicContact CD1-CD1 3.9Å; L438-L467 HydrophobicContact CD2-CD1 3.71Å; L438-L467 HydrophobicContact CG-CD1 4.5Å; L438-K470 HydrophobicContact CB-CD 4.43Å; L438-K470 HydrophobicContact CD2-CB 4.3Å; L438-Y471 HydrophobicContact CD2-CD1 3.69Å; L438-Y471 HydrophobicContact CD2-CE1 3.52Å |
| 439 | G | 94.1 | Very high | 95.2 | Very high | 83 Ų | 83 | 52 Ų | 52 | 86% | 0.856 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -0.3 | 173 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y437 | Y437-G439 PolarHBondContact O-N 2.86Š|
| 440 | G | 94.4 | Very high | 95.3 | Very high | 41 Ų | 41 | 49.8 Ų | 49.8 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | trans | 122.1 | 152.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y437 | Y437-G440 CarbonylContact O-C 3.58Å; Y437-G440 PolarHBondContact O-N 3.16Å; Y437-G440 VanDerWaalsContact O-N 3.09Å | ||
| 441 | V | 94.8 | Very high | 95.4 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 9% | 0.085 | 27% | 0.273 | C | S | . | . | trans | -144.1 | 128 | 177.7 | 61.3 | 0 | 0 | 0 | 0 | 109.6 | R357 M397 V434 V443 V449 L451 L474 | R357-V441 PolarHBondContact NH1-O 2.8Å; R357-V441 VanDerWaalsContact NH2-CG1 3.32Å; R357-V441 PolarHBondContact NH2-O 2.82Å; M397-V441 HydrophobicContact CG-CG1 4.34Å; M397-V441 HydrophobicContact SD-CG1 3.5Å; M397-V441 VanDerWaalsContact SD-CG1 3.5Å; V434-V441 HydrophobicContact CB-CG2 4.48Å; V434-V441 HydrophobicContact CG1-CG2 4.09Å; V434-V441 HydrophobicContact CG2-CG2 4.18Å; V441-V443 HydrophobicContact CG1-CG2 4.02Å; V441-V443 HydrophobicContact CG2-CG2 4.11Å; V441-V449 HydrophobicContact CG2-CG1 4.16Å; V441-L451 HydrophobicContact CG1-CD2 4.46Å; V441-L451 HydrophobicContact CG2-CD2 4.46Å; V441-L474 HydrophobicContact CG1-CD2 4.46Å | ||
| 442 | D | 93.7 | Very high | 95.5 | Very high | 147 Ų | 147 | 45.6 Ų | 45.6 | 79% | 0.786 | 27% | 0.271 | S | S | * | . | trans | -77.2 | 128.7 | 171.8 | -72.7 | -42.1 | 0 | 0 | 0 | 109.6 | R432 | R432-D442 PolarHBondContact NH2-O 2.83Š| ||
| 443 | V | 94.7 | Very high | 95.5 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | trans | -136.8 | 116.3 | 179.1 | -166.7 | 0 | 0 | 0 | 0 | 109.7 | K395 M397 V441 E447 V449 | K395-V443 HydrophobicContact CB-CB 4.02Å; K395-V443 HydrophobicContact CB-CG1 3.78Å; K395-V443 VanDerWaalsContact CD-O 3.3Å; K395-V443 WeakPolarHBondContact CD-O 3.43Å; K395-V443 WeakPolarHBondContact CG-O 3.14Å; M397-V443 HydrophobicContact CG-CG2 3.75Å; M397-V443 HydrophobicContact SD-CG2 3.96Å; V441-V443 HydrophobicContact CG1-CG2 4.02Å; V441-V443 HydrophobicContact CG2-CG2 4.11Å; V443-E447 WeakPolarHBondContact CA-OE1 3.33Å; V443-E447 HydrophobicContact CG1-CG 3.9Å; V443-V449 HydrophobicContact CG1-CG2 4.1Å; V443-V449 HydrophobicContact CG2-CB 4.43Å; V443-V449 HydrophobicContact CG2-CG2 4.06Å | ||
| 444 | A | 90.3 | Very high | 95.5 | Very high | 52 Ų | 52 | 40 Ų | 40 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | trans | -76.6 | 162.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E447 | A444-E447 HydrophobicContact CB-CG 4.14Å; A444-E447 PolarHBondContact N-OE1 3Å; A444-E447 WeakPolarHBondContact O-CG 3.26Å | ||
| 445 | E | 88.2 | Confident | 95.5 | Very high | 123 Ų | 123 | 39.7 Ų | 39.7 | 58% | 0.575 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | 137.2 | 173.4 | -69.5 | 173.6 | -166.1 | 0 | 0 | 110.3 | K395 E447 | K395-E445 HydrophobicContact CD-CG 4.46Å; K395-E445 HydrophobicContact CG-CG 3.92Å; E445-E447 VanDerWaalsContact C-N 3.28Å; E445-E447 PolarHBondContact O-N 3.37Å |
| 446 | G | 84.8 | Confident | 95.5 | Very high | 23 Ų | 23 | 35.2 Ų | 35.2 | 24% | 0.237 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 7.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N429 | N429-G446 WeakPolarHBondContact CB-O 3.31Å; N429-G446 PolarHBondContact ND2-O 3.47Å |
| 447 | E | 94.6 | Very high | 95.7 | Very high | 22 Ų | 22 | 30 Ų | 30 | 10% | 0.103 | 20% | 0.196 | C | C | . | . | trans | -104 | 156.7 | 169.5 | 83.6 | -176.3 | -176 | 0 | 0 | 112.5 | L390 P430 R432 V443 A444 E445 | L390-E447 WeakPolarHBondContact CD2-O 3.4Å; P430-E447 HydrophobicContact CG-CB 3.73Å; R432-E447 IonicContact CZ-OE1 3.63Å; R432-E447 VanDerWaalsContact CZ-OE1 3.28Å; R432-E447 IonicContact CZ-OE2 2.69Å; R432-E447 IonicContact NH1-OE1 2.71Å; R432-E447 PolarHBondContact NH1-OE1 3.4Å; R432-E447 IonicContact NH1-OE2 2.92Å; R432-E447 PolarHBondContact NH1-OE2 2.91Å; R432-E447 IonicContact NH2-OE1 3.71Å; R432-E447 PolarHBondContact NH2-OE1 2.66Å; R432-E447 IonicContact NH2-OE2 2.85Å; V443-E447 WeakPolarHBondContact CA-OE1 3.33Å; V443-E447 HydrophobicContact CG1-CG 3.9Å; A444-E447 HydrophobicContact CB-CG 4.14Å; A444-E447 PolarHBondContact N-OE1 3Å; A444-E447 WeakPolarHBondContact O-CG 3.26Å; E445-E447 VanDerWaalsContact C-N 3.28Å; E445-E447 PolarHBondContact O-N 3.37Å | ||
| 448 | L | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 117.1 | 173.7 | -178.9 | 62.5 | 0 | 0 | 0 | 110.5 | I386 V396 V398 L423 L427 P430 V431 R432 | I386-L448 HydrophobicContact CG2-CD1 3.7Å; I386-L448 HydrophobicContact CG2-CD2 3.7Å; I386-L448 HydrophobicContact CG2-CG 4.31Å; V396-L448 HydrophobicContact CB-CD1 3.99Å; V396-L448 HydrophobicContact CG1-CD1 3.6Å; V398-L448 HydrophobicContact CB-CD1 4.16Å; V398-L448 HydrophobicContact CG1-CD1 3.73Å; V398-L448 HydrophobicContact CG1-CD2 4.37Å; V398-L448 HydrophobicContact CG1-CG 4.21Å; L423-L448 HydrophobicContact CD1-CD2 4.19Å; L427-L448 HydrophobicContact CD1-CD2 3.53Å; P430-L448 PolarHBondContact O-N 3.37Å; V431-L448 VanDerWaalsContact CA-O 3.3Å; V431-L448 WeakPolarHBondContact CA-O 3.5Å; V431-L448 HydrophobicContact CG1-CB 4.28Å; V431-L448 HydrophobicContact CG1-CD2 3.95Å; V431-L448 HydrophobicContact CG1-CG 4.14Å; V431-L448 HydrophobicContact CG2-CB 4.2Å; V431-L448 HydrophobicContact CG2-CD2 4.17Å; R432-L448 PolarHBondContact N-O 3.13Å; R432-L448 VanDerWaalsContact N-O 3.11Å |
| 449 | V | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 123.9 | 168.8 | 171.7 | 0 | 0 | 0 | 0 | 109.5 | V396 M397 V398 R432 V434 V441 V443 L451 | V396-V449 PolarHBondContact O-N 3.35Å; M397-V449 CarbonylContact C-O 3.58Å; M397-V449 VanDerWaalsContact CA-O 3.27Å; M397-V449 WeakPolarHBondContact CA-O 3.4Å; M397-V449 HydrophobicContact CG-CB 4.29Å; V398-V449 PolarHBondContact N-O 3.24Å; R432-V449 HydrophobicContact CG-CG2 4.23Å; R432-V449 VanDerWaalsContact CZ-CG2 3.45Å; V434-V449 HydrophobicContact CB-CG1 3.98Å; V434-V449 HydrophobicContact CG2-CG1 3.51Å; V441-V449 HydrophobicContact CG2-CG1 4.16Å; V443-V449 HydrophobicContact CG1-CG2 4.1Å; V443-V449 HydrophobicContact CG2-CB 4.43Å; V443-V449 HydrophobicContact CG2-CG2 4.06Å; V449-L451 HydrophobicContact CG1-CD2 3.67Å |
| 450 | V | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 111.7 | 168.5 | -174.3 | 0 | 0 | 0 | 0 | 107.7 | V398 L416 V420 L423 V431 R432 L433 V434 | V398-V450 HydrophobicContact CG1-CB 4.32Å; V398-V450 HydrophobicContact CG1-CG1 4.39Å; V398-V450 HydrophobicContact CG1-CG2 3.77Å; V398-V450 CarbonylContact O-C 3.59Å; V398-V450 VanDerWaalsContact O-CA 3.29Å; V398-V450 WeakPolarHBondContact O-CA 3.46Å; L416-V450 HydrophobicContact CB-CG1 4.22Å; L416-V450 HydrophobicContact CD1-CG1 4.13Å; V420-V450 HydrophobicContact CG2-CB 3.62Å; V420-V450 HydrophobicContact CG2-CG1 3.8Å; V420-V450 HydrophobicContact CG2-CG2 3.78Å; L423-V450 HydrophobicContact CD1-CG2 3.99Å; V431-V450 HydrophobicContact CG1-CG2 3.87Å; R432-V450 PolarHBondContact O-N 2.98Å; L433-V450 CarbonylContact C-O 3.55Å; L433-V450 WeakPolarHBondContact CA-O 3.46Å; L433-V450 HydrophobicContact CD1-CB 4.48Å; L433-V450 HydrophobicContact CD1-CG1 4.33Å; V434-V450 PolarHBondContact N-O 3.35Å |
| 451 | L | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 132.2 | 172.9 | -47.2 | 175.5 | 0 | 0 | 0 | 108.1 | F359 M397 V398 T399 L416 V434 Y437 V441 V449 | F359-L451 HydrophobicContact CD2-CD1 3.89Å; F359-L451 HydrophobicContact CE2-CD1 3.36Å; F359-L451 HydrophobicContact CZ-CD1 4.06Å; M397-L451 HydrophobicContact CB-CD1 4.07Å; M397-L451 HydrophobicContact CB-CD2 4.43Å; M397-L451 HydrophobicContact CB-CG 4.16Å; M397-L451 HydrophobicContact CG-CD2 4.34Å; V398-L451 PolarHBondContact O-N 3.1Å; T399-L451 PolarHBondContact OG1-O 2.92Å; L416-L451 WeakPolarHBondContact CD1-O 3.47Å; V434-L451 HydrophobicContact CB-CD2 4.49Å; Y437-L451 HydrophobicContact CD1-CB 4.01Å; Y437-L451 HydrophobicContact CD1-CD2 4.34Å; Y437-L451 HydrophobicContact CD2-CB 4.17Å; Y437-L451 HydrophobicContact CD2-CD1 3.91Å; Y437-L451 HydrophobicContact CD2-CD2 4.15Å; Y437-L451 HydrophobicContact CD2-CG 4.31Å; Y437-L451 HydrophobicContact CE1-CB 3.94Å; Y437-L451 HydrophobicContact CE2-CB 4.05Å; Y437-L451 HydrophobicContact CE2-CD1 4.05Å; Y437-L451 HydrophobicContact CG-CB 4.12Å; Y437-L451 HydrophobicContact CG-CD1 4.43Å; Y437-L451 HydrophobicContact CG-CD2 3.85Å; Y437-L451 HydrophobicContact CG-CG 4.37Å; V441-L451 HydrophobicContact CG1-CD2 4.46Å; V441-L451 HydrophobicContact CG2-CD2 4.46Å; V449-L451 HydrophobicContact CG1-CD2 3.67Å |
| 452 | E | 98.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | trans | -54.7 | 159.7 | -177.5 | -175.4 | 59.7 | -73 | 0 | 0 | 112.7 | T399 Y410 S415 L416 L433 V434 K435 Y437 V454 F456 | T399-E452 PolarHBondContact OG1-O 3.23Å; Y410-E452 HydrophobicContact CE2-CG 4.2Å; S415-E452 WeakPolarHBondContact CB-OE2 3.46Å; S415-E452 PolarHBondContact OG-OE1 2.67Å; S415-E452 PolarHBondContact OG-OE2 3.1Å; L416-E452 PolarHBondContact N-OE1 2.93Å; L433-E452 HydrophobicContact CD1-CB 4.18Å; V434-E452 WeakPolarHBondContact O-CB 3.36Å; V434-E452 PolarHBondContact O-N 2.7Å; K435-E452 HydrophobicContact CG-CB 4.36Å; K435-E452 HydrophobicContact CG-CG 4.3Å; Y437-E452 HydrophobicContact CE1-CB 4.3Å; Y437-E452 PolarHBondContact OH-O 2.94Å; Y437-E452 VanDerWaalsContact OH-O 3.12Å; E452-V454 PolarHBondContact O-N 3.02Å; E452-V454 VanDerWaalsContact O-N 3.09Å; E452-F456 HydrophobicContact CG-CD2 3.92Å; E452-F456 HydrophobicContact CG-CE2 4.05Å | ||
| 453 | N | 98.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | trans | -45.5 | 114.6 | -172.2 | -176.9 | -11.3 | 0 | 0 | 0 | 113.3 | S400 H401 L402 F414 L416 R455 F456 | S400-N453 WeakPolarHBondContact O-CA 3.34Å; H401-N453 WeakPolarHBondContact CA-OD1 3.49Å; L402-N453 PolarHBondContact N-ND2 2.87Å; L402-N453 PolarHBondContact N-OD1 3.45Å; L402-N453 PolarHBondContact O-ND2 2.66Å; F414-N453 PolarHBondContact O-ND2 3.11Å; L416-N453 HydrophobicContact CG-CB 4.28Å; N453-R455 PolarHBondContact O-N 3.22Å; N453-R455 PolarHBondContact OD1-N 3.26Å; N453-R455 VanDerWaalsContact OD1-N 3.08Å; N453-F456 HydrophobicContact CB-CD2 3.68Å; N453-F456 HydrophobicContact CB-CE2 3.6Å; N453-F456 HydrophobicContact CB-CZ 4.38Å; N453-F456 WeakPolarHBondContact O-CB 3.36Å; N453-F456 WeakPolarHBondContact O-CD2 3.17Å; N453-F456 PolarHBondContact O-N 2.67Å | ||
| 454 | V | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -56.6 | -25.7 | -176.1 | -61.1 | 0 | 0 | 0 | 0 | 113.4 | T399 S400 H401 E452 F456 N457 E460 | T399-V454 HydrophobicContact CG2-CG1 3.48Å; T399-V454 VanDerWaalsContact CG2-CG1 3.48Å; T399-V454 WeakPolarHBondContact OG1-CG1 3.31Å; S400-V454 PolarHBondContact O-N 3.11Å; S400-V454 VanDerWaalsContact O-N 3.14Å; H401-V454 HydrophobicContact CB-CG2 4.23Å; E452-V454 PolarHBondContact O-N 3.02Å; E452-V454 VanDerWaalsContact O-N 3.09Å; V454-F456 PolarHBondContact O-N 3.05Å; V454-N457 WeakPolarHBondContact O-CB 3.4Å; V454-N457 PolarHBondContact O-N 3.02Å; V454-N457 PolarHBondContact O-ND2 2.83Å; V454-E460 HydrophobicContact CB-CG 4.37Å; V454-E460 HydrophobicContact CG2-CG 4.25Å; V454-E460 WeakPolarHBondContact O-CB 3.27Å; V454-E460 WeakPolarHBondContact O-CG 3.24Å |
| 455 | R | 98.2 | Very high | 97 | Very high | 18 Ų | 18 | 42 Ų | 42 | 7% | 0.068 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -77.3 | -4 | -179.9 | -68.1 | -165.6 | 175.6 | 154.8 | 5 | 114.2 | H401 G403 P405 N453 N457 E460 | H401-R455 HydrophobicContact CB-CG 3.92Å; H401-R455 PolarHBondContact CD2-NH1 3.35Å; G403-R455 PolarHBondContact O-NH1 3.1Å; P405-R455 HydrophobicContact CG-CB 3.61Å; N453-R455 PolarHBondContact O-N 3.22Å; N453-R455 PolarHBondContact OD1-N 3.26Å; N453-R455 VanDerWaalsContact OD1-N 3.08Å; R455-N457 VanDerWaalsContact C-N 3.29Å; R455-E460 HydrophobicContact CG-CG 4.29Å |
| 456 | F | 98.5 | Very high | 97.5 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -75.4 | -19.6 | 163.1 | -65.2 | -48 | 0 | 0 | 0 | 112.3 | P405 G408 E409 Y410 N411 F414 E452 N453 V454 | P405-F456 HydrophobicContact CB-CD1 3.73Å; P405-F456 HydrophobicContact CB-CE1 3.45Å; P405-F456 VanDerWaalsContact CB-CE1 3.45Å; P405-F456 HydrophobicContact CB-CZ 4.39Å; P405-F456 HydrophobicContact CG-CD1 4.14Å; P405-F456 HydrophobicContact CG-CE1 4.03Å; G408-F456 WeakPolarHBondContact CA-O 3.43Å; G408-F456 PolarHBondContact N-O 3.11Å; E409-F456 VanDerWaalsContact O-CD1 3.29Å; E409-F456 WeakPolarHBondContact O-CD1 3.44Å; Y410-F456 HydrophobicContact CD2-CD2 4.05Å; Y410-F456 AromaticContact CD2-CE2 3.86Å; Y410-F456 HydrophobicContact CD2-CE2 3.86Å; Y410-F456 HydrophobicContact CD2-CZ 4.27Å; Y410-F456 HydrophobicContact CE2-CD2 4.48Å; Y410-F456 AromaticContact CE2-CE2 3.97Å; Y410-F456 HydrophobicContact CE2-CE2 3.97Å; Y410-F456 HydrophobicContact CE2-CZ 4.49Å; N411-F456 HydrophobicContact CB-CE1 4.3Å; N411-F456 VanDerWaalsContact O-CZ 3.25Å; N411-F456 WeakPolarHBondContact O-CZ 3.43Å; F414-F456 HydrophobicContact CB-CE1 4.22Å; F414-F456 HydrophobicContact CB-CZ 3.85Å; E452-F456 HydrophobicContact CG-CD2 3.92Å; E452-F456 HydrophobicContact CG-CE2 4.05Å; N453-F456 HydrophobicContact CB-CD2 3.68Å; N453-F456 HydrophobicContact CB-CE2 3.6Å; N453-F456 HydrophobicContact CB-CZ 4.38Å; N453-F456 WeakPolarHBondContact O-CB 3.36Å; N453-F456 WeakPolarHBondContact O-CD2 3.17Å; N453-F456 PolarHBondContact O-N 2.67Å; V454-F456 PolarHBondContact O-N 3.05Å |
| 457 | N | 98.2 | Very high | 98.2 | Very high | 24 Ų | 24 | 39.7 Ų | 39.7 | 13% | 0.128 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -79.6 | 129.7 | -175.7 | -59.2 | -38.1 | 0 | 0 | 0 | 111.4 | Y437 V454 R455 G459 E460 L467 Y471 | Y437-N457 PolarHBondContact OH-ND2 2.96Å; V454-N457 WeakPolarHBondContact O-CB 3.4Å; V454-N457 PolarHBondContact O-N 3.02Å; V454-N457 PolarHBondContact O-ND2 2.83Å; R455-N457 VanDerWaalsContact C-N 3.29Å; N457-G459 PolarHBondContact O-N 3.23Å; N457-E460 WeakPolarHBondContact O-CB 3.17Å; N457-E460 PolarHBondContact O-N 3.38Å; N457-L467 HydrophobicContact CB-CD1 4.03Å; N457-L467 HydrophobicContact CB-CD2 3.87Å; N457-Y471 PolarHBondContact ND2-OH 2.87Å |
| 458 | K | 98.3 | Very high | 98.3 | Very high | 158 Ų | 158 | 38.7 Ų | 38.7 | 69% | 0.687 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | 124.1 | 175.8 | -67.8 | -177.5 | -178.8 | 175.7 | 0 | 110.2 | ||
| 459 | G | 97.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 43.5 Ų | 43.5 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.2 | -6.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E407 N457 K461 K462 D463 D464 | E407-G459 PolarHBondContact OE2-N 3.49Å; N457-G459 PolarHBondContact O-N 3.23Å; G459-K461 PolarHBondContact O-N 3.09Å; G459-K462 PolarHBondContact O-N 2.95Å; G459-D463 PolarHBondContact O-N 3.23Å; G459-D464 WeakPolarHBondContact O-CB 3.32Å; G459-D464 PolarHBondContact O-N 3.46Å; G459-D464 VanDerWaalsContact O-N 3.07Å |
| 460 | E | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -57.2 | -53.3 | -177.8 | 178.2 | 61.3 | -147.1 | 0 | 0 | 111.8 | V454 R455 N457 K462 D463 L467 Y471 Q490 A491 S492 | V454-E460 HydrophobicContact CB-CG 4.37Å; V454-E460 HydrophobicContact CG2-CG 4.25Å; V454-E460 WeakPolarHBondContact O-CB 3.27Å; V454-E460 WeakPolarHBondContact O-CG 3.24Å; R455-E460 HydrophobicContact CG-CG 4.29Å; N457-E460 WeakPolarHBondContact O-CB 3.17Å; N457-E460 PolarHBondContact O-N 3.38Å; E460-K462 PolarHBondContact O-N 3.24Å; E460-D463 PolarHBondContact O-N 3.3Å; E460-L467 HydrophobicContact CB-CD2 4.18Å; E460-Y471 VanDerWaalsContact OE2-CE2 3.28Å; E460-Y471 WeakPolarHBondContact OE2-CE2 3.07Å; E460-Y471 PolarHBondContact OE2-OH 2.77Å; E460-Q490 CarbonylContact O-C 3.53Å; E460-Q490 VanDerWaalsContact O-CA 3.25Å; E460-Q490 WeakPolarHBondContact O-CA 3.32Å; E460-Q490 VanDerWaalsContact O-CB 3.3Å; E460-Q490 WeakPolarHBondContact O-CB 3.46Å; E460-Q490 WeakPolarHBondContact OE1-CB 3.29Å; E460-A491 PolarHBondContact O-N 3.31Å; E460-S492 WeakPolarHBondContact OE1-CB 3.25Å; E460-S492 PolarHBondContact OE1-N 3.4Å; E460-S492 PolarHBondContact OE1-OG 2.68Å; E460-S492 PolarHBondContact OE2-N 2.85Å |
| 461 | K | 97.3 | Very high | 98.4 | Very high | 97 Ų | 97 | 48.2 Ų | 48.2 | 42% | 0.422 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -69.4 | -19.3 | -177.4 | -66.7 | 168.1 | -172.1 | 165.6 | 0 | 113.4 | P405 E407 G459 | P405-K461 PolarHBondContact O-NZ 2.95Å; E407-K461 WeakPolarHBondContact OE1-CB 3.33Å; E407-K461 WeakPolarHBondContact OE1-CD 3.23Å; E407-K461 WeakPolarHBondContact OE1-CG 3.18Å; E407-K461 PolarHBondContact OE1-N 3.09Å; G459-K461 PolarHBondContact O-N 3.09Å |
| 462 | K | 97.8 | Very high | 98.3 | Very high | 186 Ų | 186 | 48.6 Ų | 48.6 | 81% | 0.809 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -97.3 | 4 | -177.5 | -70.6 | -174.1 | 176.8 | -179.2 | 0 | 113.4 | G459 E460 D464 | G459-K462 PolarHBondContact O-N 2.95Å; E460-K462 PolarHBondContact O-N 3.24Å; K462-D464 VanDerWaalsContact C-N 3.25Å; K462-D464 PolarHBondContact O-N 3.47Å |
| 463 | D | 98.1 | Very high | 98.3 | Very high | 28 Ų | 28 | 52.6 Ų | 52.6 | 15% | 0.15 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 41.2 | -175.9 | -162.9 | 50.3 | 0 | 0 | 0 | 112.3 | G459 E460 E465 A489 Q490 A491 H494 G495 K498 | G459-D463 PolarHBondContact O-N 3.23Å; E460-D463 PolarHBondContact O-N 3.3Å; D463-E465 PolarHBondContact O-N 3.01Å; D463-A489 HydrophobicContact CB-CB 4.43Å; D463-Q490 VanDerWaalsContact OD1-O 3.08Å; D463-A491 PolarHBondContact OD1-N 3.49Å; D463-H494 VanDerWaalsContact CG-ND1 3.29Å; D463-H494 IonicContact OD1-ND1 3.8Å; D463-H494 PolarHBondContact OD1-ND1 3.03Å; D463-H494 IonicContact OD2-CE1 3.33Å; D463-H494 PolarHBondContact OD2-CE1 3.02Å; D463-H494 VanDerWaalsContact OD2-CE1 3.23Å; D463-H494 IonicContact OD2-CG 2.77Å; D463-H494 IonicContact OD2-ND1 3.45Å; D463-H494 PolarHBondContact OD2-ND1 2.75Å; D463-G495 WeakPolarHBondContact OD1-CA 3.25Å; D463-G495 PolarHBondContact OD1-N 3.42Å; D463-K498 IonicContact OD2-NZ 2.62Å |
| 464 | D | 98.7 | Very high | 98.3 | Very high | 65 Ų | 65 | 52.8 Ų | 52.8 | 35% | 0.348 | 27% | 0.266 | S | S | . | . | trans | -58.2 | 130.8 | -175.4 | 177.4 | -99.2 | 0 | 0 | 0 | 111.8 | G459 K462 T466 L467 S468 | G459-D464 WeakPolarHBondContact O-CB 3.32Å; G459-D464 PolarHBondContact O-N 3.46Å; G459-D464 VanDerWaalsContact O-N 3.07Å; K462-D464 VanDerWaalsContact C-N 3.25Å; K462-D464 PolarHBondContact O-N 3.47Å; D464-T466 PolarHBondContact O-N 2.93Å; D464-T466 WeakPolarHBondContact OD1-CA 3.2Å; D464-T466 VanDerWaalsContact OD1-CB 3.27Å; D464-T466 WeakPolarHBondContact OD1-CB 3.23Å; D464-T466 PolarHBondContact OD1-N 2.82Å; D464-L467 HydrophobicContact CB-CB 4.17Å; D464-L467 PolarHBondContact O-N 2.69Å; D464-L467 PolarHBondContact OD1-N 2.65Å; D464-S468 VanDerWaalsContact O-CB 3.3Å; D464-S468 WeakPolarHBondContact O-CB 3.34Å; D464-S468 PolarHBondContact O-N 2.82Å; D464-S468 PolarHBondContact O-OG 2.81Å | ||
| 465 | E | 98.3 | Very high | 98.3 | Very high | 105 Ų | 105 | 53.1 Ų | 53.1 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66 | -38.7 | -175.3 | -167.8 | -175.4 | 152.1 | 0 | 0 | 112.1 | D463 S468 K469 F499 | D463-E465 PolarHBondContact O-N 3.01Å; E465-S468 PolarHBondContact O-N 2.86Å; E465-K469 HydrophobicContact CG-CD 4.47Å; E465-K469 WeakPolarHBondContact O-CG 3.4Å; E465-K469 PolarHBondContact O-N 3.19Å; E465-K469 WeakPolarHBondContact OE1-CE 3.42Å; E465-K469 IonicContact OE1-NZ 3.68Å; E465-K469 PolarHBondContact OE1-NZ 2.66Å; E465-F499 HydrophobicContact CG-CE2 3.9Å; E465-F499 HydrophobicContact CG-CZ 3.56Å |
| 466 | T | 98.4 | Very high | 98.3 | Very high | 89 Ų | 89 | 55.3 Ų | 55.3 | 55% | 0.546 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.9 | -45 | -178.9 | -57.5 | 0 | 0 | 0 | 0 | 110.3 | D464 K470 | D464-T466 PolarHBondContact O-N 2.93Å; D464-T466 WeakPolarHBondContact OD1-CA 3.2Å; D464-T466 VanDerWaalsContact OD1-CB 3.27Å; D464-T466 WeakPolarHBondContact OD1-CB 3.23Å; D464-T466 PolarHBondContact OD1-N 2.82Å; T466-K470 WeakPolarHBondContact O-CG 2.88Å; T466-K470 PolarHBondContact O-N 2.94Å; T466-K470 VanDerWaalsContact O-N 3.09Å |
| 467 | L | 98.5 | Very high | 98.3 | Very high | 9 Ų | 9 | 54.5 Ų | 54.5 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 174.5 | -179.9 | 60.3 | 0 | 0 | 0 | 111.5 | L438 N457 E460 D464 K469 K470 Y471 A491 | L438-L467 HydrophobicContact CD1-CD1 3.9Å; L438-L467 HydrophobicContact CD2-CD1 3.71Å; L438-L467 HydrophobicContact CG-CD1 4.5Å; N457-L467 HydrophobicContact CB-CD1 4.03Å; N457-L467 HydrophobicContact CB-CD2 3.87Å; E460-L467 HydrophobicContact CB-CD2 4.18Å; D464-L467 HydrophobicContact CB-CB 4.17Å; D464-L467 PolarHBondContact O-N 2.69Å; D464-L467 PolarHBondContact OD1-N 2.65Å; L467-K469 PolarHBondContact O-N 2.85Å; L467-K470 WeakPolarHBondContact O-CB 3.31Å; L467-K470 PolarHBondContact O-N 2.89Å; L467-K470 VanDerWaalsContact O-N 3.14Å; L467-Y471 HydrophobicContact CD1-CE1 4Å; L467-Y471 HydrophobicContact CD1-CE2 4.03Å; L467-Y471 HydrophobicContact CD2-CE2 4.03Å; L467-Y471 HydrophobicContact CG-CD2 4.21Å; L467-Y471 HydrophobicContact CG-CE2 3.67Å; L467-Y471 PolarHBondContact O-N 3.39Å; L467-A491 HydrophobicContact CB-CB 4.3Å; L467-A491 HydrophobicContact CD2-CB 3.72Å; L467-A491 HydrophobicContact CG-CB 3.93Å |
| 468 | S | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 178.9 | -63.2 | 0 | 0 | 0 | 0 | 112.7 | D464 E465 K470 Y471 A472 G495 | D464-S468 VanDerWaalsContact O-CB 3.3Å; D464-S468 WeakPolarHBondContact O-CB 3.34Å; D464-S468 PolarHBondContact O-N 2.82Å; D464-S468 PolarHBondContact O-OG 2.81Å; E465-S468 PolarHBondContact O-N 2.86Å; S468-K470 VanDerWaalsContact C-N 3.34Å; S468-Y471 PolarHBondContact O-N 3Å; S468-A472 WeakPolarHBondContact O-CB 3.39Å; S468-A472 PolarHBondContact O-N 2.87Å; S468-G495 VanDerWaalsContact CB-C 3.41Å; S468-G495 WeakPolarHBondContact OG-CA 3.38Å |
| 469 | K | 98.4 | Very high | 98.3 | Very high | 100 Ų | 100 | 45.9 Ų | 45.9 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.6 | -38.5 | 174.3 | -74.2 | 176.2 | -176.6 | 170.4 | 0 | 112.2 | E465 L467 A472 A473 F499 | E465-K469 HydrophobicContact CG-CD 4.47Å; E465-K469 WeakPolarHBondContact O-CG 3.4Å; E465-K469 PolarHBondContact O-N 3.19Å; E465-K469 WeakPolarHBondContact OE1-CE 3.42Å; E465-K469 IonicContact OE1-NZ 3.68Å; E465-K469 PolarHBondContact OE1-NZ 2.66Å; L467-K469 PolarHBondContact O-N 2.85Å; K469-A472 PolarHBondContact O-N 2.85Å; K469-A473 WeakPolarHBondContact O-CB 3.36Å; K469-A473 PolarHBondContact O-N 3.31Å; K469-F499 HydrophobicContact CG-CB 4.35Å; K469-F499 HydrophobicContact CG-CD1 3.96Å; K469-F499 HydrophobicContact CG-CD2 3.81Å; K469-F499 HydrophobicContact CG-CE1 4.22Å; K469-F499 HydrophobicContact CG-CE2 4.09Å; K469-F499 HydrophobicContact CG-CG 3.76Å; K469-F499 HydrophobicContact CG-CZ 4.3Å |
| 470 | K | 98.5 | Very high | 98.4 | Very high | 100 Ų | 100 | 45.3 Ų | 45.3 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 174.8 | -76 | -179.3 | 177 | -173.4 | 0 | 111.5 | L438 T466 L467 S468 A473 L474 | L438-K470 HydrophobicContact CB-CD 4.43Å; L438-K470 HydrophobicContact CD2-CB 4.3Å; T466-K470 WeakPolarHBondContact O-CG 2.88Å; T466-K470 PolarHBondContact O-N 2.94Å; T466-K470 VanDerWaalsContact O-N 3.09Å; L467-K470 WeakPolarHBondContact O-CB 3.31Å; L467-K470 PolarHBondContact O-N 2.89Å; L467-K470 VanDerWaalsContact O-N 3.14Å; S468-K470 VanDerWaalsContact C-N 3.34Å; K470-A473 PolarHBondContact O-N 3.26Å; K470-L474 WeakPolarHBondContact O-CG 3.44Å |
| 471 | Y | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -44.8 | 174.9 | -64.3 | -43.3 | 0 | 0 | 0 | 112.2 | F359 Y437 L438 N457 E460 L467 S468 A473 L474 A491 I496 | F359-Y471 HydrophobicContact CE2-CD1 4.34Å; F359-Y471 HydrophobicContact CZ-CD1 4.39Å; Y437-Y471 HydrophobicContact CE2-CD1 4.17Å; Y437-Y471 AromaticContact CE2-CE1 3.74Å; Y437-Y471 HydrophobicContact CE2-CE1 3.74Å; L438-Y471 HydrophobicContact CD2-CD1 3.69Å; L438-Y471 HydrophobicContact CD2-CE1 3.52Å; N457-Y471 PolarHBondContact ND2-OH 2.87Å; E460-Y471 VanDerWaalsContact OE2-CE2 3.28Å; E460-Y471 WeakPolarHBondContact OE2-CE2 3.07Å; E460-Y471 PolarHBondContact OE2-OH 2.77Å; L467-Y471 HydrophobicContact CD1-CE1 4Å; L467-Y471 HydrophobicContact CD1-CE2 4.03Å; L467-Y471 HydrophobicContact CD2-CE2 4.03Å; L467-Y471 HydrophobicContact CG-CD2 4.21Å; L467-Y471 HydrophobicContact CG-CE2 3.67Å; L467-Y471 PolarHBondContact O-N 3.39Å; S468-Y471 PolarHBondContact O-N 3Å; Y471-A473 VanDerWaalsContact C-N 3.3Å; Y471-A473 PolarHBondContact O-N 2.95Å; Y471-L474 VanDerWaalsContact O-CB 3.29Å; Y471-L474 WeakPolarHBondContact O-CB 3.27Å; Y471-L474 PolarHBondContact O-N 3.48Å; Y471-A491 HydrophobicContact CD2-CB 4.25Å; Y471-A491 HydrophobicContact CE2-CB 3.8Å; Y471-I496 HydrophobicContact CD2-CB 4.48Å; Y471-I496 HydrophobicContact CG-CD1 4.5Å |
| 472 | A | 98.5 | Very high | 98.3 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 7% | 0.066 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.1 | -39.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S468 K469 L474 C475 I496 F499 A500 | S468-A472 WeakPolarHBondContact O-CB 3.39Å; S468-A472 PolarHBondContact O-N 2.87Å; K469-A472 PolarHBondContact O-N 2.85Å; A472-L474 PolarHBondContact O-N 3.43Å; A472-L474 VanDerWaalsContact O-N 3.09Å; A472-C475 PolarHBondContact O-N 3.31Å; A472-I496 HydrophobicContact CB-CG1 4.24Å; A472-F499 HydrophobicContact CB-CB 3.59Å; A472-A500 HydrophobicContact CB-CB 4.29Å |
| 473 | A | 98.2 | Very high | 98.1 | Very high | 87 Ų | 87 | 32.4 Ų | 32.4 | 72% | 0.719 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -13.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K469 K470 Y471 | K469-A473 WeakPolarHBondContact O-CB 3.36Å; K469-A473 PolarHBondContact O-N 3.31Å; K470-A473 PolarHBondContact O-N 3.26Å; Y471-A473 VanDerWaalsContact C-N 3.3Å; Y471-A473 PolarHBondContact O-N 2.95Å |
| 474 | L | 98.2 | Very high | 97.9 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -5.5 | 174.5 | -54.9 | 177.5 | 0 | 0 | 0 | 112.8 | R357 M397 Y437 V441 K470 Y471 A472 | R357-L474 PolarHBondContact NE-O 3.03Å; R357-L474 PolarHBondContact NH2-O 2.88Å; M397-L474 VanDerWaalsContact CE-O 3.3Å; M397-L474 WeakPolarHBondContact CE-O 3.46Å; M397-L474 HydrophobicContact SD-CB 4.45Å; Y437-L474 HydrophobicContact CD2-CD1 3.86Å; Y437-L474 WeakPolarHBondContact O-CD1 3.42Å; Y437-L474 WeakPolarHBondContact O-CD2 3.28Å; V441-L474 HydrophobicContact CG1-CD2 4.46Å; K470-L474 WeakPolarHBondContact O-CG 3.44Å; Y471-L474 VanDerWaalsContact O-CB 3.29Å; Y471-L474 WeakPolarHBondContact O-CB 3.27Å; Y471-L474 PolarHBondContact O-N 3.48Å; A472-L474 PolarHBondContact O-N 3.43Å; A472-L474 VanDerWaalsContact O-N 3.09Å |
| 475 | C | 98.3 | Very high | 97.7 | Very high | 7 Ų | 7 | 29 Ų | 29 | 5% | 0.047 | 16% | 0.163 | C | C | . | . | trans | -147.7 | 152.5 | -174.1 | 61.8 | 0 | 0 | 0 | 0 | 114.2 | R357 F359 M397 A472 | R357-C475 WeakPolarHBondContact O-CB 3.41Å; F359-C475 HydrophobicContact CB-CB 3.65Å; M397-C475 HydrophobicContact CE-CB 4.33Å; A472-C475 PolarHBondContact O-N 3.31Å | ||
| 476 | D | 97.9 | Very high | 97.5 | Very high | 63 Ų | 63 | 24 Ų | 24 | 34% | 0.337 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -83.6 | -33.8 | 167.7 | -47 | -59.9 | 0 | 0 | 0 | 110.1 | K356 R357 V502 | K356-D476 WeakPolarHBondContact CA-OD2 3.35Å; K356-D476 HydrophobicContact CB-CB 4.26Å; K356-D476 HydrophobicContact CD-CB 4.42Å; K356-D476 HydrophobicContact CG-CB 4.5Å; R357-D476 WeakPolarHBondContact CB-OD2 3.43Å; R357-D476 PolarHBondContact N-OD2 3.21Å; R357-D476 PolarHBondContact O-N 3.15Å; D476-V502 PolarHBondContact O-N 2.8Å |
| 477 | V | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 121.9 | -179.1 | -173.7 | 0 | 0 | 0 | 0 | 110.3 | L351 L353 K356 R357 V358 F359 V479 V502 | L351-V477 HydrophobicContact CD1-CG1 3.87Å; L353-V477 HydrophobicContact CD2-CG1 4.36Å; L353-V477 HydrophobicContact CD2-CG2 4.29Å; K356-V477 HydrophobicContact CD-CG2 4Å; R357-V477 PolarHBondContact O-N 3.28Å; V358-V477 WeakPolarHBondContact CA-O 3.11Å; V358-V477 HydrophobicContact CG2-CB 4.4Å; F359-V477 PolarHBondContact N-O 2.72Å; V477-V479 HydrophobicContact CG1-CG2 4.21Å; V477-V502 HydrophobicContact CG1-CB 4.37Å; V477-V502 HydrophobicContact CG1-CG1 4.33Å; V477-V502 HydrophobicContact CG2-CB 4.28Å |
| 478 | F | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 129.1 | 166.9 | 169.6 | -120.3 | 0 | 0 | 0 | 110.5 | F359 R361 M480 I496 A500 V502 A503 C504 M722 | F359-F478 AromaticContact CD1-CD2 3.9Å; F359-F478 HydrophobicContact CD1-CD2 3.9Å; F359-F478 HydrophobicContact CD1-CE2 4.14Å; F359-F478 HydrophobicContact CE1-CE2 4.49Å; R361-F478 HydrophobicContact CB-CE2 3.84Å; R361-F478 HydrophobicContact CB-CZ 4.31Å; F478-M480 HydrophobicContact CE1-CB 3.93Å; F478-M480 HydrophobicContact CZ-CB 3.74Å; F478-M480 HydrophobicContact CZ-CG 4.47Å; F478-M480 HydrophobicContact CZ-SD 4.29Å; F478-I496 HydrophobicContact CB-CD1 4.48Å; F478-I496 HydrophobicContact CD1-CG2 4.09Å; F478-I496 HydrophobicContact CD2-CD1 3.65Å; F478-I496 HydrophobicContact CD2-CG1 4.24Å; F478-I496 HydrophobicContact CD2-CG2 3.92Å; F478-I496 HydrophobicContact CE1-CG2 3.76Å; F478-I496 HydrophobicContact CE2-CD1 4.11Å; F478-I496 HydrophobicContact CE2-CG2 3.57Å; F478-I496 HydrophobicContact CG-CD1 4.15Å; F478-I496 HydrophobicContact CG-CG1 4.29Å; F478-I496 HydrophobicContact CG-CG2 4.16Å; F478-I496 HydrophobicContact CZ-CG2 3.48Å; F478-I496 VanDerWaalsContact CZ-CG2 3.48Å; F478-A500 HydrophobicContact CB-CB 3.63Å; F478-V502 PolarHBondContact N-O 2.88Å; F478-A503 HydrophobicContact CD1-CB 4.11Å; F478-A503 WeakPolarHBondContact O-CA 3.33Å; F478-C504 PolarHBondContact O-N 3.22Å; F478-C504 PolarHBondContact O-SG 3.15Å; F478-C504 VanDerWaalsContact O-SG 3.34Å; F478-M722 HydrophobicContact CD1-CE 4.48Å; F478-M722 HydrophobicContact CE1-CE 3.82Å |
| 479 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 113.1 | 176.5 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | M348 V358 F359 I360 R361 V477 D481 C504 G506 | M348-V479 HydrophobicContact CB-CG1 4.17Å; M348-V479 HydrophobicContact CB-CG2 4.44Å; M348-V479 HydrophobicContact CG-CG1 4.3Å; M348-V479 HydrophobicContact CG-CG2 4.04Å; M348-V479 HydrophobicContact SD-CB 4.46Å; M348-V479 HydrophobicContact SD-CG1 3.72Å; M348-V479 HydrophobicContact SD-CG2 3.96Å; V358-V479 HydrophobicContact CG1-CG2 3.61Å; F359-V479 PolarHBondContact O-N 3.27Å; I360-V479 WeakPolarHBondContact CA-O 3.32Å; I360-V479 HydrophobicContact CG1-CB 4.17Å; I360-V479 HydrophobicContact CG1-CG2 4.36Å; R361-V479 PolarHBondContact N-O 2.91Å; V477-V479 HydrophobicContact CG1-CG2 4.21Å; V479-D481 HydrophobicContact CG1-CB 4.46Å; V479-C504 WeakPolarHBondContact CA-O 3.38Å; V479-G506 VanDerWaalsContact CG1-CA 3.43Å |
| 480 | M | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 114.6 | 169.5 | -178.9 | 59.1 | 179.7 | 0 | 0 | 109.2 | R361 F478 A482 A486 T493 C504 G506 L509 A719 L723 | R361-M480 HydrophobicContact CB-SD 3.97Å; R361-M480 HydrophobicContact CG-SD 3.78Å; F478-M480 HydrophobicContact CE1-CB 3.93Å; F478-M480 HydrophobicContact CZ-CB 3.74Å; F478-M480 HydrophobicContact CZ-CG 4.47Å; F478-M480 HydrophobicContact CZ-SD 4.29Å; M480-A482 HydrophobicContact CE-CB 3.98Å; M480-A482 VanDerWaalsContact CE-O 3.23Å; M480-A482 WeakPolarHBondContact CE-O 3.46Å; M480-A482 HydrophobicContact SD-CB 4.33Å; M480-A486 HydrophobicContact CE-CB 4.25Å; M480-T493 HydrophobicContact CE-CG2 4.04Å; M480-C504 PolarHBondContact N-O 2.87Å; M480-G506 PolarHBondContact O-N 3.19Å; M480-L509 HydrophobicContact CB-CD2 4.14Å; M480-L509 HydrophobicContact CG-CD2 3.86Å; M480-L509 WeakPolarHBondContact O-CB 3.47Å; M480-L509 VanDerWaalsContact O-CD2 3.23Å; M480-L509 WeakPolarHBondContact O-CD2 3.4Å; M480-A719 HydrophobicContact CE-CB 3.98Å; M480-A719 HydrophobicContact CG-CB 4.39Å; M480-L723 HydrophobicContact CB-CD1 4.16Å |
| 481 | D | 97.9 | Very high | 96.9 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 23.3 | -176.7 | -153.5 | 41.7 | 0 | 0 | 0 | 112.6 | I360 R361 T385 V479 G506 L508 L509 | I360-D481 HydrophobicContact CG2-CB 4.24Å; R361-D481 CarbonylContact O-C 3.6Å; R361-D481 WeakPolarHBondContact O-CA 3.21Å; R361-D481 PolarHBondContact O-N 2.91Å; T385-D481 WeakPolarHBondContact CB-OD2 3.43Å; T385-D481 HydrophobicContact CG2-CB 4.33Å; T385-D481 VanDerWaalsContact CG2-OD2 3.28Å; T385-D481 WeakPolarHBondContact CG2-OD2 3.18Å; T385-D481 PolarHBondContact OG1-OD2 2.84Å; V479-D481 HydrophobicContact CG1-CB 4.46Å; D481-G506 WeakPolarHBondContact OD1-CA 3.41Å; D481-L508 WeakPolarHBondContact OD1-CA 3.48Å; D481-L508 WeakPolarHBondContact OD1-CB 3.41Å; D481-L508 PolarHBondContact OD1-N 3.37Å; D481-L509 PolarHBondContact OD1-N 3.46Å; D481-L509 VanDerWaalsContact OD1-N 3.1Å |
| 482 | A | 96.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | trans | -123.1 | 69.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R361 D363 M480 G484 T485 A486 | R361-A482 HydrophobicContact CG-CB 4.39Å; R361-A482 WeakPolarHBondContact O-CB 3.37Å; R361-A482 PolarHBondContact O-N 3.35Å; D363-A482 HydrophobicContact CB-CB 4.09Å; M480-A482 HydrophobicContact CE-CB 3.98Å; M480-A482 VanDerWaalsContact CE-O 3.23Å; M480-A482 WeakPolarHBondContact CE-O 3.46Å; M480-A482 HydrophobicContact SD-CB 4.33Å; A482-G484 VanDerWaalsContact C-N 3.25Å; A482-G484 PolarHBondContact O-N 3.46Å; A482-T485 WeakPolarHBondContact CB-OG1 3.4Å; A482-T485 PolarHBondContact O-N 2.84Å; A482-T485 PolarHBondContact O-OG1 2.69Å; A482-A486 PolarHBondContact O-N 2.85Å | ||
| 483 | F | 94.5 | Very high | 96.9 | Very high | 8 Ų | 8 | 18.1 Ų | 18.1 | 4% | 0.035 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -51.9 | -41 | -178 | 179 | -105.3 | 0 | 0 | 0 | 113.3 | T485 A486 L509 E512 L513 L516 A707 F708 F711 L717 | F483-T485 PolarHBondContact O-N 2.85Å; F483-A486 HydrophobicContact CD2-CB 4.41Å; F483-A486 VanDerWaalsContact O-CB 3.28Å; F483-A486 WeakPolarHBondContact O-CB 2.96Å; F483-A486 PolarHBondContact O-N 3.28Å; F483-L509 HydrophobicContact CB-CD1 3.82Å; F483-L509 HydrophobicContact CD2-CD1 3.69Å; F483-L509 HydrophobicContact CG-CD1 4.25Å; F483-E512 HydrophobicContact CB-CB 4.32Å; F483-E512 HydrophobicContact CB-CG 4.14Å; F483-E512 HydrophobicContact CD1-CB 4.47Å; F483-E512 HydrophobicContact CD1-CG 3.43Å; F483-E512 VanDerWaalsContact CD1-CG 3.43Å; F483-E512 HydrophobicContact CD2-CB 4.38Å; F483-E512 HydrophobicContact CD2-CG 3.85Å; F483-E512 HydrophobicContact CE1-CG 3.67Å; F483-E512 HydrophobicContact CE2-CG 4.06Å; F483-E512 HydrophobicContact CG-CB 4.15Å; F483-E512 HydrophobicContact CG-CG 3.53Å; F483-E512 HydrophobicContact CZ-CG 3.99Å; F483-L513 HydrophobicContact CD2-CD2 4.15Å; F483-L513 HydrophobicContact CE2-CD2 3.92Å; F483-L516 HydrophobicContact CE1-CD1 4.04Å; F483-L516 HydrophobicContact CE2-CD1 3.97Å; F483-L516 HydrophobicContact CZ-CD1 3.42Å; F483-L516 VanDerWaalsContact CZ-CD1 3.42Å; F483-A707 HydrophobicContact CD1-CB 4.04Å; F483-A707 HydrophobicContact CE1-CB 3.8Å; F483-A707 HydrophobicContact CZ-CB 4.1Å; F483-A707 WeakPolarHBondContact O-CB 3.49Å; F483-F708 HydrophobicContact CE1-CB 4.2Å; F483-F711 HydrophobicContact CE2-CD2 4.4Å; F483-F711 HydrophobicContact CZ-CB 4.21Å; F483-L717 HydrophobicContact CD2-CD1 4.35Å; F483-L717 HydrophobicContact CE2-CD1 3.56Å; F483-L717 HydrophobicContact CZ-CD1 4.11Å |
| 484 | G | 92.7 | Very high | 97 | Very high | 17 Ų | 17 | 15.2 Ų | 15.2 | 18% | 0.175 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -58.1 | -11.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | A482 H487 | A482-G484 VanDerWaalsContact C-N 3.25Å; A482-G484 PolarHBondContact O-N 3.46Å; G484-H487 PolarHBondContact O-CE1 3.1Å; G484-H487 PolarHBondContact O-ND1 3.1Å |
| 485 | T | 95.4 | Very high | 97 | Very high | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.018 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -116.5 | 0.5 | 173.9 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | H401 A482 F483 H487 R488 | H401-T485 WeakPolarHBondContact CE1-CG2 3.36Å; A482-T485 WeakPolarHBondContact CB-OG1 3.4Å; A482-T485 PolarHBondContact O-N 2.84Å; A482-T485 PolarHBondContact O-OG1 2.69Å; F483-T485 PolarHBondContact O-N 2.85Å; T485-H487 VanDerWaalsContact C-N 3.26Å; T485-H487 PolarHBondContact O-N 2.99Å; T485-R488 PolarHBondContact O-N 2.88Å; T485-R488 VanDerWaalsContact O-N 3.14Å |
| 486 | A | 94.6 | Very high | 97 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -24.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | M480 A482 F483 R488 L717 P718 A719 V720 | M480-A486 HydrophobicContact CE-CB 4.25Å; A482-A486 PolarHBondContact O-N 2.85Å; F483-A486 HydrophobicContact CD2-CB 4.41Å; F483-A486 VanDerWaalsContact O-CB 3.28Å; F483-A486 WeakPolarHBondContact O-CB 2.96Å; F483-A486 PolarHBondContact O-N 3.28Å; A486-R488 PolarHBondContact O-N 3.36Å; A486-L717 HydrophobicContact CB-CD1 4.22Å; A486-P718 WeakPolarHBondContact O-CD 3.45Å; A486-A719 HydrophobicContact CB-CB 3.96Å; A486-A719 WeakPolarHBondContact O-CB 3.42Å; A486-A719 PolarHBondContact O-N 3.33Å; A486-A719 VanDerWaalsContact O-N 3.12Å; A486-V720 HydrophobicContact CB-CG2 4.32Å |
| 487 | H | 92.8 | Very high | 97 | Very high | 22 Ų | 22 | 11.7 Ų | 11.7 | 10% | 0.102 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -5.3 | 174.7 | 67.5 | -75.4 | 0 | 0 | 0 | 114.2 | G484 T485 A707 E710 L717 | G484-H487 PolarHBondContact O-CE1 3.1Å; G484-H487 PolarHBondContact O-ND1 3.1Å; T485-H487 VanDerWaalsContact C-N 3.26Å; T485-H487 PolarHBondContact O-N 2.99Å; H487-A707 HydrophobicContact CB-CB 4.3Å; H487-A707 WeakPolarHBondContact ND1-CB 3.36Å; H487-E710 HydrophobicContact CB-CB 4.46Å; H487-E710 IonicContact CD2-OE1 2.82Å; H487-E710 PolarHBondContact CD2-OE1 2.89Å; H487-E710 IonicContact CG-OE1 3.23Å; H487-L717 HydrophobicContact CB-CD2 3.83Å |
| 488 | R | 93.2 | Very high | 96.9 | Very high | 112 Ų | 112 | 16.4 Ų | 16.4 | 42% | 0.423 | 8% | 0.082 | S | C | . | . | S | Bend | trans | -118 | 124.3 | -178.1 | -56.3 | -176.9 | -170.6 | 179.7 | 2.1 | 110.6 | T485 A486 Q490 T493 | T485-R488 PolarHBondContact O-N 2.88Å; T485-R488 VanDerWaalsContact O-N 3.14Å; A486-R488 PolarHBondContact O-N 3.36Å; R488-Q490 HydrophobicContact CB-CG 3.85Å; R488-Q490 PolarHBondContact O-N 2.97Å; R488-Q490 VanDerWaalsContact O-N 3.15Å; R488-T493 PolarHBondContact O-OG1 2.78Å |
| 489 | A | 96.8 | Very high | 96.9 | Very high | 40 Ų | 40 | 19.9 Ų | 19.9 | 33% | 0.331 | 10% | 0.098 | S | C | . | . | trans | -71.9 | 102.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109 | D463 H494 P718 | D463-A489 HydrophobicContact CB-CB 4.43Å; A489-H494 HydrophobicContact CB-CB 4.35Å; A489-P718 HydrophobicContact CB-CB 3.95Å; A489-P718 HydrophobicContact CB-CG 4.31Å | ||
| 490 | Q | 98.4 | Very high | 96.9 | Very high | 10 Ų | 10 | 20 Ų | 20 | 5% | 0.047 | 10% | 0.098 | C | C | . | . | trans | -131.5 | 155.1 | 175.2 | -49.8 | -164.6 | -59.5 | 0 | 0 | 108.4 | E460 D463 R488 S492 T493 H494 G495 | E460-Q490 CarbonylContact O-C 3.53Å; E460-Q490 VanDerWaalsContact O-CA 3.25Å; E460-Q490 WeakPolarHBondContact O-CA 3.32Å; E460-Q490 VanDerWaalsContact O-CB 3.3Å; E460-Q490 WeakPolarHBondContact O-CB 3.46Å; E460-Q490 WeakPolarHBondContact OE1-CB 3.29Å; D463-Q490 VanDerWaalsContact OD1-O 3.08Å; R488-Q490 HydrophobicContact CB-CG 3.85Å; R488-Q490 PolarHBondContact O-N 2.97Å; R488-Q490 VanDerWaalsContact O-N 3.15Å; Q490-S492 PolarHBondContact O-N 2.7Å; Q490-S492 VanDerWaalsContact O-N 3.14Å; Q490-T493 HydrophobicContact CB-CG2 4.39Å; Q490-T493 WeakPolarHBondContact CB-OG1 3.33Å; Q490-T493 PolarHBondContact N-OG1 2.86Å; Q490-T493 VanDerWaalsContact N-OG1 3.09Å; Q490-T493 PolarHBondContact O-N 3.39Å; Q490-T493 PolarHBondContact O-OG1 2.84Å; Q490-H494 PolarHBondContact O-N 2.94Å; Q490-G495 PolarHBondContact O-N 2.91Å | ||
| 491 | A | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -57.7 | -37.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E460 D463 L467 Y471 I496 | E460-A491 PolarHBondContact O-N 3.31Å; D463-A491 PolarHBondContact OD1-N 3.49Å; L467-A491 HydrophobicContact CB-CB 4.3Å; L467-A491 HydrophobicContact CD2-CB 3.72Å; L467-A491 HydrophobicContact CG-CB 3.93Å; Y471-A491 HydrophobicContact CD2-CB 4.25Å; Y471-A491 HydrophobicContact CE2-CB 3.8Å; A491-I496 WeakPolarHBondContact O-CB 3.27Å; A491-I496 WeakPolarHBondContact O-CG2 3.46Å; A491-I496 PolarHBondContact O-N 2.89Å |
| 492 | S | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -83.7 | -13.9 | 177.9 | 70.3 | 0 | 0 | 0 | 0 | 115.4 | R361 E460 Q490 | R361-S492 WeakPolarHBondContact CG-O 3.18Å; R361-S492 PolarHBondContact NE-OG 3.34Å; E460-S492 WeakPolarHBondContact OE1-CB 3.25Å; E460-S492 PolarHBondContact OE1-N 3.4Å; E460-S492 PolarHBondContact OE1-OG 2.68Å; E460-S492 PolarHBondContact OE2-N 2.85Å; Q490-S492 PolarHBondContact O-N 2.7Å; Q490-S492 VanDerWaalsContact O-N 3.14Å |
| 493 | T | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -104.9 | -27 | -178.4 | 59.6 | 0 | 0 | 0 | 0 | 112.9 | R361 M480 R488 Q490 A719 | R361-T493 HydrophobicContact CG-CG2 4.36Å; M480-T493 HydrophobicContact CE-CG2 4.04Å; R488-T493 PolarHBondContact O-OG1 2.78Å; Q490-T493 HydrophobicContact CB-CG2 4.39Å; Q490-T493 WeakPolarHBondContact CB-OG1 3.33Å; Q490-T493 PolarHBondContact N-OG1 2.86Å; Q490-T493 VanDerWaalsContact N-OG1 3.09Å; Q490-T493 PolarHBondContact O-N 3.39Å; Q490-T493 PolarHBondContact O-OG1 2.84Å; T493-A719 VanDerWaalsContact O-CB 3.29Å; T493-A719 WeakPolarHBondContact O-CB 3.39Å |
| 494 | H | 98.6 | Very high | 97 | Very high | 27 Ų | 27 | 26.9 Ų | 26.9 | 13% | 0.125 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -134.4 | -60.6 | -169.1 | 169 | -107.8 | 0 | 0 | 0 | 111.4 | D463 A489 Q490 I496 G497 K498 P718 | D463-H494 VanDerWaalsContact CG-ND1 3.29Å; D463-H494 IonicContact OD1-ND1 3.8Å; D463-H494 PolarHBondContact OD1-ND1 3.03Å; D463-H494 IonicContact OD2-CE1 3.33Å; D463-H494 PolarHBondContact OD2-CE1 3.02Å; D463-H494 VanDerWaalsContact OD2-CE1 3.23Å; D463-H494 IonicContact OD2-CG 2.77Å; D463-H494 IonicContact OD2-ND1 3.45Å; D463-H494 PolarHBondContact OD2-ND1 2.75Å; A489-H494 HydrophobicContact CB-CB 4.35Å; Q490-H494 PolarHBondContact O-N 2.94Å; H494-I496 PolarHBondContact O-N 3.24Å; H494-G497 PolarHBondContact O-N 2.98Å; H494-K498 WeakPolarHBondContact CE1-CE 3.35Å; H494-K498 PolarHBondContact CE1-NZ 3.24Å; H494-K498 WeakPolarHBondContact NE2-CE 3.46Å; H494-P718 PolarHBondContact CD2-O 3.37Å; H494-P718 VanDerWaalsContact CD2-O 3.3Å |
| 495 | G | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -58.9 | -43 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D463 S468 Q490 G497 K498 F499 | D463-G495 WeakPolarHBondContact OD1-CA 3.25Å; D463-G495 PolarHBondContact OD1-N 3.42Å; S468-G495 VanDerWaalsContact CB-C 3.41Å; S468-G495 WeakPolarHBondContact OG-CA 3.38Å; Q490-G495 PolarHBondContact O-N 2.91Å; G495-G497 PolarHBondContact O-N 3.46Å; G495-K498 WeakPolarHBondContact O-CB 3.39Å; G495-K498 PolarHBondContact O-N 2.89Å; G495-F499 WeakPolarHBondContact O-CD2 3.39Å |
| 496 | I | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -52.2 | -42.8 | 174.3 | -175.5 | -180 | 0 | 0 | 0 | 112.1 | F359 Y471 A472 F478 A491 H494 K498 F499 A500 | F359-I496 HydrophobicContact CD1-CD1 3.71Å; F359-I496 HydrophobicContact CD2-CD1 4.15Å; F359-I496 HydrophobicContact CE1-CD1 3.82Å; F359-I496 HydrophobicContact CE2-CD1 4.23Å; F359-I496 HydrophobicContact CG-CD1 3.89Å; F359-I496 HydrophobicContact CZ-CD1 4.07Å; Y471-I496 HydrophobicContact CD2-CB 4.48Å; Y471-I496 HydrophobicContact CG-CD1 4.5Å; A472-I496 HydrophobicContact CB-CG1 4.24Å; F478-I496 HydrophobicContact CB-CD1 4.48Å; F478-I496 HydrophobicContact CD1-CG2 4.09Å; F478-I496 HydrophobicContact CD2-CD1 3.65Å; F478-I496 HydrophobicContact CD2-CG1 4.24Å; F478-I496 HydrophobicContact CD2-CG2 3.92Å; F478-I496 HydrophobicContact CE1-CG2 3.76Å; F478-I496 HydrophobicContact CE2-CD1 4.11Å; F478-I496 HydrophobicContact CE2-CG2 3.57Å; F478-I496 HydrophobicContact CG-CD1 4.15Å; F478-I496 HydrophobicContact CG-CG1 4.29Å; F478-I496 HydrophobicContact CG-CG2 4.16Å; F478-I496 HydrophobicContact CZ-CG2 3.48Å; F478-I496 VanDerWaalsContact CZ-CG2 3.48Å; A491-I496 WeakPolarHBondContact O-CB 3.27Å; A491-I496 WeakPolarHBondContact O-CG2 3.46Å; A491-I496 PolarHBondContact O-N 2.89Å; H494-I496 PolarHBondContact O-N 3.24Å; I496-K498 PolarHBondContact O-N 3.38Å; I496-F499 PolarHBondContact O-N 3.12Å; I496-A500 PolarHBondContact O-N 3.49Å |
| 497 | G | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -72.1 | -11.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | H494 G495 M722 R726 | H494-G497 PolarHBondContact O-N 2.98Å; G495-G497 PolarHBondContact O-N 3.46Å; G497-M722 WeakPolarHBondContact CA-SD 3.44Å; G497-M722 VanDerWaalsContact O-SD 3.38Å; G497-R726 WeakPolarHBondContact O-CG 3.48Å; G497-R726 PolarHBondContact O-NH1 3.49Å |
| 498 | K | 97.6 | Very high | 97.3 | Very high | 101 Ų | 101 | 29.3 Ų | 29.3 | 44% | 0.439 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -74.8 | -27.8 | 168 | -63.3 | 175.2 | 176 | 167.6 | 0 | 112.6 | D463 H494 G495 I496 M722 | D463-K498 IonicContact OD2-NZ 2.62Å; H494-K498 WeakPolarHBondContact CE1-CE 3.35Å; H494-K498 PolarHBondContact CE1-NZ 3.24Å; H494-K498 WeakPolarHBondContact NE2-CE 3.46Å; G495-K498 WeakPolarHBondContact O-CB 3.39Å; G495-K498 PolarHBondContact O-N 2.89Å; I496-K498 PolarHBondContact O-N 3.38Å; K498-M722 HydrophobicContact CG-CG 4.2Å |
| 499 | F | 98.1 | Very high | 97.4 | Very high | 73 Ų | 73 | 24 Ų | 24 | 32% | 0.32 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -114.9 | -19.6 | -168.8 | -56.7 | -67.2 | 0 | 0 | 0 | 114.4 | E465 K469 A472 G495 I496 | E465-F499 HydrophobicContact CG-CE2 3.9Å; E465-F499 HydrophobicContact CG-CZ 3.56Å; K469-F499 HydrophobicContact CG-CB 4.35Å; K469-F499 HydrophobicContact CG-CD1 3.96Å; K469-F499 HydrophobicContact CG-CD2 3.81Å; K469-F499 HydrophobicContact CG-CE1 4.22Å; K469-F499 HydrophobicContact CG-CE2 4.09Å; K469-F499 HydrophobicContact CG-CG 3.76Å; K469-F499 HydrophobicContact CG-CZ 4.3Å; A472-F499 HydrophobicContact CB-CB 3.59Å; G495-F499 WeakPolarHBondContact O-CD2 3.39Å; I496-F499 PolarHBondContact O-N 3.12Å |
| 500 | A | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -64.1 | 145.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A472 F478 I496 V502 R726 | A472-A500 HydrophobicContact CB-CB 4.29Å; F478-A500 HydrophobicContact CB-CB 3.63Å; I496-A500 PolarHBondContact O-N 3.49Å; A500-V502 VanDerWaalsContact C-N 3.33Å; A500-V502 PolarHBondContact O-N 3.25Å; A500-R726 VanDerWaalsContact O-CZ 3.24Å; A500-R726 PolarHBondContact O-NH1 3.47Å; A500-R726 PolarHBondContact O-NH2 3.35Å |
| 501 | D | 97 | Very high | 96.8 | Very high | 116 Ų | 116 | 24 Ų | 24 | 62% | 0.62 | 13% | 0.13 | S | C | * | . | S | Bend | trans | -59 | -44.6 | -177.4 | -68.3 | -14.2 | 0 | 0 | 0 | 111.9 | R726 | D501-R726 PolarHBondContact O-NH2 3.06Š|
| 502 | V | 97.9 | Very high | 96.4 | Very high | 40 Ų | 40 | 24.4 Ų | 24.4 | 24% | 0.242 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 132.2 | 169.9 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | L351 D476 V477 F478 A500 | L351-V502 HydrophobicContact CD1-CG1 3.79Å; L351-V502 HydrophobicContact CD2-CG1 4.41Å; D476-V502 PolarHBondContact O-N 2.8Å; V477-V502 HydrophobicContact CG1-CB 4.37Å; V477-V502 HydrophobicContact CG1-CG1 4.33Å; V477-V502 HydrophobicContact CG2-CB 4.28Å; F478-V502 PolarHBondContact N-O 2.88Å; A500-V502 VanDerWaalsContact C-N 3.33Å; A500-V502 PolarHBondContact O-N 3.25Å |
| 503 | A | 98.2 | Very high | 96 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 128.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | F478 M722 L723 R726 | F478-A503 HydrophobicContact CD1-CB 4.11Å; F478-A503 WeakPolarHBondContact O-CA 3.33Å; A503-M722 HydrophobicContact CB-SD 4.23Å; A503-L723 HydrophobicContact CB-CD2 3.9Å; A503-R726 HydrophobicContact CB-CB 4.23Å; A503-R726 HydrophobicContact CB-CG 4.08Å |
| 504 | C | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 164.2 | -175.3 | 66.3 | 0 | 0 | 0 | 0 | 112.4 | I346 L351 F478 V479 M480 | I346-C504 HydrophobicContact CB-CB 3.96Å; I346-C504 HydrophobicContact CG2-CB 3.74Å; I346-C504 CarbonylContact O-C 3.58Å; I346-C504 VanDerWaalsContact O-CA 3.24Å; I346-C504 WeakPolarHBondContact O-CA 3.31Å; I346-C504 WeakPolarHBondContact O-CB 3.47Å; L351-C504 HydrophobicContact CD1-CB 3.95Å; F478-C504 PolarHBondContact O-N 3.22Å; F478-C504 PolarHBondContact O-SG 3.15Å; F478-C504 VanDerWaalsContact O-SG 3.34Å; V479-C504 WeakPolarHBondContact CA-O 3.38Å; M480-C504 PolarHBondContact N-O 2.87Å |
| 505 | A | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 135.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V345 I346 M348 L509 L723 | V345-A505 HydrophobicContact CB-CB 4.39Å; V345-A505 HydrophobicContact CG2-CB 3.67Å; I346-A505 PolarHBondContact O-N 3.45Å; M348-A505 WeakPolarHBondContact CB-O 3.38Å; M348-A505 PolarHBondContact N-O 3.13Å; A505-L509 HydrophobicContact CB-CB 4.4Å; A505-L509 HydrophobicContact CB-CD2 3.88Å; A505-L509 HydrophobicContact CB-CG 4.2Å; A505-L723 HydrophobicContact CB-CD1 4.01Å |
| 506 | G | 97.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | trans | -75.2 | 169.2 | 169 | 0 | 0 | 0 | 0 | 0 | 112.5 | V479 M480 D481 L508 L509 A510 | V479-G506 VanDerWaalsContact CG1-CA 3.43Å; M480-G506 PolarHBondContact O-N 3.19Å; D481-G506 WeakPolarHBondContact OD1-CA 3.41Å; G506-L508 PolarHBondContact O-N 3.28Å; G506-L509 PolarHBondContact O-N 3.05Å; G506-A510 WeakPolarHBondContact O-CB 3.19Å; G506-A510 PolarHBondContact O-N 3.47Å | ||
| 507 | P | 94.2 | Very high | 93.9 | Very high | 39 Ų | 39 | 28.1 Ų | 28.1 | 25% | 0.253 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -54.5 | -40.4 | 179.8 | -27.2 | 34.4 | 0 | 0 | 0 | 115.2 | T349 T385 L388 A511 | T349-P507 HydrophobicContact CG2-CG 4.35Å; T385-P507 HydrophobicContact CG2-CG 4.38Å; T385-P507 WeakPolarHBondContact OG1-CD 3.41Å; L388-P507 HydrophobicContact CD2-CG 4.15Å; P507-A511 VanDerWaalsContact O-CB 3.24Å; P507-A511 WeakPolarHBondContact O-CB 3.48Å; P507-A511 PolarHBondContact O-N 3.13Å |
| 508 | L | 92.2 | Very high | 93.3 | Very high | 53 Ų | 53 | 34 Ų | 34 | 28% | 0.277 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -68.6 | -46.9 | 179.1 | -74.3 | 179.6 | 0 | 0 | 0 | 111.2 | A381 D481 G506 A510 A511 E512 | A381-L508 HydrophobicContact CB-CD1 3.95Å; A381-L508 HydrophobicContact CB-CD2 4.09Å; A381-L508 WeakPolarHBondContact O-CD1 3.35Å; A381-L508 WeakPolarHBondContact O-CD2 3.47Å; A381-L508 WeakPolarHBondContact O-CG 3.12Å; D481-L508 WeakPolarHBondContact OD1-CA 3.48Å; D481-L508 WeakPolarHBondContact OD1-CB 3.41Å; D481-L508 PolarHBondContact OD1-N 3.37Å; G506-L508 PolarHBondContact O-N 3.28Å; L508-A510 VanDerWaalsContact C-N 3.34Å; L508-A511 PolarHBondContact O-N 2.82Å; L508-E512 WeakPolarHBondContact O-CB 3.29Å; L508-E512 PolarHBondContact O-N 3.24Å |
| 509 | L | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61 | -47.6 | 177.5 | 178.4 | 63.2 | 0 | 0 | 0 | 110.2 | M480 D481 F483 A505 G506 A511 E512 L513 L723 | M480-L509 HydrophobicContact CB-CD2 4.14Å; M480-L509 HydrophobicContact CG-CD2 3.86Å; M480-L509 WeakPolarHBondContact O-CB 3.47Å; M480-L509 VanDerWaalsContact O-CD2 3.23Å; M480-L509 WeakPolarHBondContact O-CD2 3.4Å; D481-L509 PolarHBondContact OD1-N 3.46Å; D481-L509 VanDerWaalsContact OD1-N 3.1Å; F483-L509 HydrophobicContact CB-CD1 3.82Å; F483-L509 HydrophobicContact CD2-CD1 3.69Å; F483-L509 HydrophobicContact CG-CD1 4.25Å; A505-L509 HydrophobicContact CB-CB 4.4Å; A505-L509 HydrophobicContact CB-CD2 3.88Å; A505-L509 HydrophobicContact CB-CG 4.2Å; G506-L509 PolarHBondContact O-N 3.05Å; L509-A511 PolarHBondContact O-N 2.93Å; L509-E512 PolarHBondContact O-N 2.89Å; L509-L513 HydrophobicContact CD1-CD1 4.17Å; L509-L513 HydrophobicContact CD1-CD2 4.3Å; L509-L513 HydrophobicContact CD1-CG 4.06Å; L509-L513 HydrophobicContact CG-CD1 4.05Å; L509-L513 HydrophobicContact CG-CG 4.3Å; L509-L513 VanDerWaalsContact O-CG 3.26Å; L509-L513 WeakPolarHBondContact O-CG 3.37Å; L509-L513 PolarHBondContact O-N 3.24Å; L509-L723 HydrophobicContact CD2-CD1 3.81Å |
| 510 | A | 92.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 26 Ų | 26 | 7% | 0.074 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.3 | -45.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | K347 G506 L508 E512 L513 D514 | K347-A510 HydrophobicContact CD-CB 4.46Å; G506-A510 WeakPolarHBondContact O-CB 3.19Å; G506-A510 PolarHBondContact O-N 3.47Å; L508-A510 VanDerWaalsContact C-N 3.34Å; A510-E512 VanDerWaalsContact C-N 3.32Å; A510-E512 PolarHBondContact O-N 2.82Å; A510-L513 PolarHBondContact O-N 3.45Å; A510-D514 WeakPolarHBondContact O-CB 3.43Å; A510-D514 VanDerWaalsContact O-CG 3.25Å; A510-D514 PolarHBondContact O-N 3.21Å |
| 511 | A | 90.9 | Very high | 91.2 | Very high | 42 Ų | 42 | 29.5 Ų | 29.5 | 35% | 0.347 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | P507 L508 L509 D514 A515 Y700 | P507-A511 VanDerWaalsContact O-CB 3.24Å; P507-A511 WeakPolarHBondContact O-CB 3.48Å; P507-A511 PolarHBondContact O-N 3.13Å; L508-A511 PolarHBondContact O-N 2.82Å; L509-A511 PolarHBondContact O-N 2.93Å; A511-D514 PolarHBondContact O-N 3.48Å; A511-A515 VanDerWaalsContact O-CB 3.31Å; A511-A515 WeakPolarHBondContact O-CB 3.34Å; A511-A515 PolarHBondContact O-N 3.06Å; A511-Y700 HydrophobicContact CB-CE2 4.37Å |
| 512 | E | 91.4 | Very high | 90.2 | Very high | 9 Ų | 9 | 28.4 Ų | 28.4 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.9 | -47.6 | 176.3 | -170.3 | 103.4 | -150.1 | 0 | 0 | 111.7 | F483 L508 L509 A510 D514 A515 L516 Y700 S702 | F483-E512 HydrophobicContact CB-CB 4.32Å; F483-E512 HydrophobicContact CB-CG 4.14Å; F483-E512 HydrophobicContact CD1-CB 4.47Å; F483-E512 HydrophobicContact CD1-CG 3.43Å; F483-E512 VanDerWaalsContact CD1-CG 3.43Å; F483-E512 HydrophobicContact CD2-CB 4.38Å; F483-E512 HydrophobicContact CD2-CG 3.85Å; F483-E512 HydrophobicContact CE1-CG 3.67Å; F483-E512 HydrophobicContact CE2-CG 4.06Å; F483-E512 HydrophobicContact CG-CB 4.15Å; F483-E512 HydrophobicContact CG-CG 3.53Å; F483-E512 HydrophobicContact CZ-CG 3.99Å; L508-E512 WeakPolarHBondContact O-CB 3.29Å; L508-E512 PolarHBondContact O-N 3.24Å; L509-E512 PolarHBondContact O-N 2.89Å; A510-E512 VanDerWaalsContact C-N 3.32Å; A510-E512 PolarHBondContact O-N 2.82Å; E512-D514 VanDerWaalsContact C-N 3.31Å; E512-D514 PolarHBondContact O-N 3.49Å; E512-A515 PolarHBondContact O-N 2.9Å; E512-L516 HydrophobicContact CG-CD1 3.83Å; E512-L516 WeakPolarHBondContact O-CB 3.35Å; E512-L516 WeakPolarHBondContact O-CG 3.35Å; E512-L516 PolarHBondContact O-N 3.23Å; E512-Y700 WeakPolarHBondContact CA-OH 3.48Å; E512-Y700 HydrophobicContact CB-CE1 4.44Å; E512-Y700 VanDerWaalsContact CB-OH 3.26Å; E512-Y700 WeakPolarHBondContact CB-OH 3.44Å; E512-Y700 HydrophobicContact CG-CE1 4.22Å; E512-Y700 PolarHBondContact N-OH 3.35Å; E512-Y700 PolarHBondContact OE2-OH 3.33Å; E512-S702 WeakPolarHBondContact OE1-CA 3.43Å; E512-S702 WeakPolarHBondContact OE1-CB 3.4Å; E512-S702 PolarHBondContact OE1-OG 2.97Å |
| 513 | L | 89.6 | Confident | 89.7 | Confident | 5 Ų | 5 | 26.8 Ų | 26.8 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.1 | -37.7 | 177.7 | -65.8 | -175.5 | 0 | 0 | 0 | 112 | M343 F483 L509 A510 G517 F711 V720 | M343-L513 HydrophobicContact CE-CB 3.57Å; M343-L513 HydrophobicContact CE-CD1 4.28Å; M343-L513 HydrophobicContact CE-CD2 3.74Å; M343-L513 HydrophobicContact CE-CG 4.01Å; M343-L513 HydrophobicContact SD-CB 4.26Å; M343-L513 HydrophobicContact SD-CD1 3.85Å; M343-L513 HydrophobicContact SD-CD2 3.64Å; M343-L513 HydrophobicContact SD-CG 4.08Å; F483-L513 HydrophobicContact CD2-CD2 4.15Å; F483-L513 HydrophobicContact CE2-CD2 3.92Å; L509-L513 HydrophobicContact CD1-CD1 4.17Å; L509-L513 HydrophobicContact CD1-CD2 4.3Å; L509-L513 HydrophobicContact CD1-CG 4.06Å; L509-L513 HydrophobicContact CG-CD1 4.05Å; L509-L513 HydrophobicContact CG-CG 4.3Å; L509-L513 VanDerWaalsContact O-CG 3.26Å; L509-L513 WeakPolarHBondContact O-CG 3.37Å; L509-L513 PolarHBondContact O-N 3.24Å; A510-L513 PolarHBondContact O-N 3.45Å; L513-G517 WeakPolarHBondContact O-CA 3.5Å; L513-G517 PolarHBondContact O-N 3.46Å; L513-F711 HydrophobicContact CD2-CD2 4.47Å; L513-F711 HydrophobicContact CD2-CE2 3.86Å; L513-F711 HydrophobicContact CD2-CZ 4.48Å; L513-V720 HydrophobicContact CD1-CG1 4.1Å; L513-V720 HydrophobicContact CD1-CG2 4.25Å; L513-V720 HydrophobicContact CD2-CG2 4.06Å |
| 514 | D | 87.7 | Confident | 89.3 | Confident | 91 Ų | 91 | 29.3 Ų | 29.3 | 49% | 0.487 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -67.4 | -45.1 | 176 | -74.9 | -23.2 | 0 | 0 | 0 | 111 | K347 A510 A511 E512 G517 K518 | K347-D514 IonicContact NZ-OD1 3.38Å; K347-D514 IonicContact NZ-OD2 2.72Å; K347-D514 PolarHBondContact NZ-OD2 3.3Å; K347-D514 VanDerWaalsContact NZ-OD2 3.1Å; A510-D514 WeakPolarHBondContact O-CB 3.43Å; A510-D514 VanDerWaalsContact O-CG 3.25Å; A510-D514 PolarHBondContact O-N 3.21Å; A511-D514 PolarHBondContact O-N 3.48Å; E512-D514 VanDerWaalsContact C-N 3.31Å; E512-D514 PolarHBondContact O-N 3.49Å; D514-G517 PolarHBondContact O-N 2.88Å; D514-K518 WeakPolarHBondContact O-CB 3.38Å; D514-K518 PolarHBondContact O-N 3.08Å |
| 515 | A | 88.9 | Confident | 89 | Confident | 8 Ų | 8 | 34.6 Ų | 34.6 | 7% | 0.066 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.7 | -47.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A511 E512 K518 A519 F677 I679 Y700 | A511-A515 VanDerWaalsContact O-CB 3.31Å; A511-A515 WeakPolarHBondContact O-CB 3.34Å; A511-A515 PolarHBondContact O-N 3.06Å; E512-A515 PolarHBondContact O-N 2.9Å; A515-K518 PolarHBondContact O-N 3.08Å; A515-A519 PolarHBondContact O-N 3.35Å; A515-A519 VanDerWaalsContact O-N 3.12Å; A515-F677 HydrophobicContact CB-CZ 4.15Å; A515-I679 HydrophobicContact CB-CD1 4.13Å; A515-Y700 HydrophobicContact CB-CD1 3.76Å; A515-Y700 HydrophobicContact CB-CD2 3.63Å; A515-Y700 HydrophobicContact CB-CE1 4.14Å; A515-Y700 HydrophobicContact CB-CE2 4.02Å; A515-Y700 HydrophobicContact CB-CG 3.49Å; A515-Y700 VanDerWaalsContact CB-CG 3.49Å |
| 516 | L | 88.8 | Confident | 89 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.7 | -42 | 175.6 | -75.8 | 163.6 | 0 | 0 | 0 | 111.6 | F483 E512 K518 A519 L520 I679 F708 F711 V712 | F483-L516 HydrophobicContact CE1-CD1 4.04Å; F483-L516 HydrophobicContact CE2-CD1 3.97Å; F483-L516 HydrophobicContact CZ-CD1 3.42Å; F483-L516 VanDerWaalsContact CZ-CD1 3.42Å; E512-L516 HydrophobicContact CG-CD1 3.83Å; E512-L516 WeakPolarHBondContact O-CB 3.35Å; E512-L516 WeakPolarHBondContact O-CG 3.35Å; E512-L516 PolarHBondContact O-N 3.23Å; L516-K518 VanDerWaalsContact C-N 3.33Å; L516-K518 PolarHBondContact O-N 3.41Å; L516-A519 PolarHBondContact O-N 2.8Å; L516-L520 HydrophobicContact CD2-CD1 4.44Å; L516-L520 WeakPolarHBondContact O-CB 3.45Å; L516-L520 PolarHBondContact O-N 3.2Å; L516-I679 HydrophobicContact CD2-CD1 3.76Å; L516-I679 HydrophobicContact CG-CD1 3.9Å; L516-F708 HydrophobicContact CD2-CD2 3.68Å; L516-F708 HydrophobicContact CD2-CE2 3.52Å; L516-F708 HydrophobicContact CD2-CZ 4.48Å; L516-F711 HydrophobicContact CB-CD1 3.79Å; L516-F711 HydrophobicContact CB-CE1 3.31Å; L516-F711 HydrophobicContact CB-CZ 3.91Å; L516-F711 HydrophobicContact CD1-CB 4.39Å; L516-F711 HydrophobicContact CD1-CD1 3.69Å; L516-F711 HydrophobicContact CD1-CD2 4.41Å; L516-F711 HydrophobicContact CD1-CE1 3.95Å; L516-F711 HydrophobicContact CD1-CG 3.92Å; L516-F711 HydrophobicContact CD1-CZ 4.37Å; L516-F711 HydrophobicContact CD2-CD1 3.92Å; L516-F711 HydrophobicContact CD2-CE1 4.29Å; L516-F711 HydrophobicContact CG-CD1 4.04Å; L516-F711 HydrophobicContact CG-CE1 4.06Å; L516-V712 HydrophobicContact CD2-CG2 4.44Å |
| 517 | G | 84.4 | Confident | 89 | Confident | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.3 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L513 D514 A519 L520 K521 | L513-G517 WeakPolarHBondContact O-CA 3.5Å; L513-G517 PolarHBondContact O-N 3.46Å; D514-G517 PolarHBondContact O-N 2.88Å; G517-A519 VanDerWaalsContact C-N 3.31Å; G517-A519 PolarHBondContact O-N 3.16Å; G517-L520 PolarHBondContact O-N 2.81Å; G517-K521 VanDerWaalsContact O-CB 3.24Å; G517-K521 WeakPolarHBondContact O-CB 3.43Å; G517-K521 WeakPolarHBondContact O-CD 3.36Å; G517-K521 VanDerWaalsContact O-CG 3.29Å; G517-K521 WeakPolarHBondContact O-CG 3.41Å; G517-K521 PolarHBondContact O-N 3.33Å |
| 518 | K | 84.5 | Confident | 89.1 | Confident | 124 Ų | 124 | 35.1 Ų | 35.1 | 54% | 0.539 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.6 | -36.4 | 175.7 | -173.7 | 179.3 | 177.8 | -172.5 | 0 | 112.3 | D514 A515 L516 F677 | D514-K518 WeakPolarHBondContact O-CB 3.38Å; D514-K518 PolarHBondContact O-N 3.08Å; A515-K518 PolarHBondContact O-N 3.08Å; L516-K518 VanDerWaalsContact C-N 3.33Å; L516-K518 PolarHBondContact O-N 3.41Å; K518-F677 HydrophobicContact CB-CE1 4.21Å; K518-F677 HydrophobicContact CD-CD1 4.09Å; K518-F677 HydrophobicContact CD-CD2 4.15Å; K518-F677 HydrophobicContact CD-CE1 4.01Å; K518-F677 HydrophobicContact CD-CE2 4.07Å; K518-F677 HydrophobicContact CD-CG 4.16Å; K518-F677 HydrophobicContact CD-CZ 4Å; K518-F677 HydrophobicContact CG-CD1 4.26Å; K518-F677 HydrophobicContact CG-CE1 4.2Å |
| 519 | A | 87.8 | Confident | 89.4 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -81.7 | -26.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | A515 L516 G517 P523 T645 F677 I679 | A515-A519 PolarHBondContact O-N 3.35Å; A515-A519 VanDerWaalsContact O-N 3.12Å; L516-A519 PolarHBondContact O-N 2.8Å; G517-A519 VanDerWaalsContact C-N 3.31Å; G517-A519 PolarHBondContact O-N 3.16Å; A519-P523 WeakPolarHBondContact O-CB 3.24Å; A519-T645 HydrophobicContact CB-CG2 4.18Å; A519-F677 HydrophobicContact CB-CE1 4.23Å; A519-I679 HydrophobicContact CB-CG2 3.71Å |
| 520 | L | 86.1 | Confident | 89.6 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -111.7 | -24.9 | -170.2 | -65.4 | 173.5 | 0 | 0 | 0 | 115 | F341 L516 G517 L546 I549 L647 F711 V712 | F341-L520 HydrophobicContact CD2-CB 4.5Å; F341-L520 HydrophobicContact CE1-CD1 4.42Å; F341-L520 HydrophobicContact CE2-CB 4.23Å; F341-L520 HydrophobicContact CZ-CB 4.48Å; F341-L520 HydrophobicContact CZ-CD1 4Å; L516-L520 HydrophobicContact CD2-CD1 4.44Å; L516-L520 WeakPolarHBondContact O-CB 3.45Å; L516-L520 PolarHBondContact O-N 3.2Å; G517-L520 PolarHBondContact O-N 2.81Å; L520-L546 HydrophobicContact CD2-CD2 3.89Å; L520-I549 HydrophobicContact CD2-CD1 4.08Å; L520-L647 HydrophobicContact CD2-CD1 3.77Å; L520-L647 HydrophobicContact CG-CD1 4.41Å; L520-F711 HydrophobicContact CD1-CD1 3.83Å; L520-F711 HydrophobicContact CD1-CE1 3.89Å; L520-V712 HydrophobicContact CD1-CG2 4.15Å |
| 521 | K | 75.4 | Confident | 89.8 | Confident | 73 Ų | 73 | 32.1 Ų | 32.1 | 32% | 0.317 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -63.3 | -178.2 | -69.9 | 168.2 | -173.7 | 177.7 | 0 | 113 | F341 G517 | F341-K521 HydrophobicContact CB-CD 3.97Å; F341-K521 HydrophobicContact CB-CG 3.41Å; F341-K521 VanDerWaalsContact CB-CG 3.41Å; F341-K521 HydrophobicContact CG-CG 4.24Å; F341-K521 WeakPolarHBondContact O-CE 3.49Å; F341-K521 PolarHBondContact O-NZ 3.16Å; G517-K521 VanDerWaalsContact O-CB 3.24Å; G517-K521 WeakPolarHBondContact O-CB 3.43Å; G517-K521 WeakPolarHBondContact O-CD 3.36Å; G517-K521 VanDerWaalsContact O-CG 3.29Å; G517-K521 WeakPolarHBondContact O-CG 3.41Å; G517-K521 PolarHBondContact O-N 3.33Å |
| 522 | E | 76.6 | Confident | 90.1 | Very high | 93 Ų | 93 | 30.1 Ų | 30.1 | 44% | 0.435 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -140.4 | 64.7 | -175.5 | -70.3 | -177.3 | -173.2 | 0 | 0 | 107.2 | F338 | F338-E522 HydrophobicContact CE1-CG 4.12Å; F338-E522 WeakPolarHBondContact CE1-OE1 3.2Å |
| 523 | P | 88 | Confident | 90.3 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 5% | 0.045 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 144.4 | 179.5 | 25.8 | -33.6 | 0 | 0 | 0 | 110.1 | A519 R525 M527 I549 T645 | A519-P523 WeakPolarHBondContact O-CB 3.24Å; P523-R525 PolarHBondContact O-N 2.82Å; P523-M527 HydrophobicContact CB-CB 3.79Å; P523-M527 HydrophobicContact CB-CG 3.61Å; P523-M527 HydrophobicContact CG-CB 3.74Å; P523-M527 HydrophobicContact CG-CG 3.72Å; P523-I549 HydrophobicContact CG-CG2 4.38Å; P523-T645 HydrophobicContact CB-CG2 3.79Å |
| 524 | A | 89 | Confident | 90.4 | Very high | 53 Ų | 53 | 33.3 Ų | 33.3 | 44% | 0.438 | 18% | 0.178 | S | C | . | . | P | Polyproline II helix | trans | -60.3 | 125.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | P526 K644 T645 | A524-P526 CarbonylContact O-C 3.57Å; A524-K644 HydrophobicContact CB-CB 3.67Å; A524-K644 HydrophobicContact CB-CD 4.4Å; A524-K644 WeakPolarHBondContact O-CB 3.33Å; A524-T645 PolarHBondContact N-OG1 2.8Å; A524-T645 WeakPolarHBondContact O-CB 3.49Å; A524-T645 PolarHBondContact O-N 2.77Å; A524-T645 PolarHBondContact O-OG1 2.94Å |
| 525 | R | 93.2 | Very high | 90.6 | Very high | 111 Ų | 111 | 33.4 Ų | 33.4 | 42% | 0.419 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -90.8 | 139.9 | -174.3 | -62.3 | -75.2 | 178.5 | 175 | -2.3 | 111.2 | P523 I549 D551 K644 | P523-R525 PolarHBondContact O-N 2.82Å; R525-I549 PolarHBondContact NH1-O 2.86Å; R525-I549 PolarHBondContact NH2-O 3.35Å; R525-D551 WeakPolarHBondContact CD-OD2 3.44Å; R525-D551 IonicContact CZ-OD1 2.72Å; R525-D551 IonicContact CZ-OD2 2.8Å; R525-D551 IonicContact NE-OD2 3.2Å; R525-D551 IonicContact NH1-OD1 3.11Å; R525-D551 PolarHBondContact NH1-OD1 3.15Å; R525-D551 VanDerWaalsContact NH1-OD1 3.11Å; R525-D551 IonicContact NH1-OD2 2.81Å; R525-D551 PolarHBondContact NH1-OD2 3.34Å; R525-K644 WeakPolarHBondContact O-CD 3.46Å; R525-K644 WeakPolarHBondContact O-CE 3.49Å; R525-K644 WeakPolarHBondContact O-CG 3.49Å |
| 526 | P | 96.3 | Very high | 90.6 | Very high | 51 Ų | 51 | 33 Ų | 33 | 33% | 0.331 | 17% | 0.171 | S | C | . | . | S | Bend | cis | -74.5 | 139 | 4.5 | -17.5 | 32.7 | 0 | 0 | 0 | 113.8 | A524 D551 K644 T645 | A524-P526 CarbonylContact O-C 3.57Å; P526-D551 VanDerWaalsContact CA-OD2 3.31Å; P526-D551 WeakPolarHBondContact CA-OD2 3.5Å; P526-K644 PolarHBondContact O-N 2.98Å; P526-T645 PolarHBondContact O-N 2.87Å |
| 527 | M | 96.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122.7 | 171.6 | -172.3 | -86.7 | 179.4 | 0 | 0 | 109.6 | P523 A529 L546 A550 D551 Q552 T645 L647 | P523-M527 HydrophobicContact CB-CB 3.79Å; P523-M527 HydrophobicContact CB-CG 3.61Å; P523-M527 HydrophobicContact CG-CB 3.74Å; P523-M527 HydrophobicContact CG-CG 3.72Å; M527-A529 HydrophobicContact CE-CB 4.09Å; M527-A529 HydrophobicContact SD-CB 4.35Å; M527-L546 HydrophobicContact CE-CD2 4.42Å; M527-A550 WeakPolarHBondContact SD-CA 3.37Å; M527-A550 HydrophobicContact SD-CB 3.46Å; M527-A550 WeakPolarHBondContact SD-CB 3.48Å; M527-D551 PolarHBondContact N-OD2 2.82Å; M527-D551 PolarHBondContact O-N 3.12Å; M527-Q552 PolarHBondContact O-N 2.93Å; M527-T645 WeakPolarHBondContact CA-O 3.46Å; M527-T645 HydrophobicContact CG-CG2 3.98Å; M527-L647 HydrophobicContact CE-CB 3.64Å; M527-L647 HydrophobicContact CE-CD1 4.42Å |
| 528 | V | 98.3 | Very high | 91 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 131 | 179 | -178.5 | 0 | 0 | 0 | 0 | 109 | Q552 I554 I639 L640 A643 T645 I646 L647 | V528-Q552 WeakPolarHBondContact CA-O 3.39Å; V528-Q552 HydrophobicContact CG2-CB 4.44Å; V528-I554 HydrophobicContact CG1-CD1 3.65Å; V528-I554 HydrophobicContact CG1-CG1 4.12Å; V528-I639 HydrophobicContact CG1-CG2 3.98Å; V528-I639 HydrophobicContact CG2-CG2 3.79Å; V528-L640 HydrophobicContact CB-CD2 4.38Å; V528-L640 HydrophobicContact CG1-CD2 3.85Å; V528-A643 HydrophobicContact CB-CB 4.16Å; V528-A643 HydrophobicContact CG2-CB 3.65Å; V528-T645 PolarHBondContact N-O 3.27Å; V528-I646 CarbonylContact O-C 3.53Å; V528-I646 VanDerWaalsContact O-CA 3.3Å; V528-I646 WeakPolarHBondContact O-CA 3.2Å; V528-L647 PolarHBondContact O-N 3.31Å |
| 529 | A | 97.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 137.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | M527 L546 A550 Q552 L553 I554 L647 | M527-A529 HydrophobicContact CE-CB 4.09Å; M527-A529 HydrophobicContact SD-CB 4.35Å; A529-L546 HydrophobicContact CB-CB 4.37Å; A529-L546 HydrophobicContact CB-CD1 4.02Å; A529-L546 HydrophobicContact CB-CD2 4.21Å; A529-L546 HydrophobicContact CB-CG 4.44Å; A529-A550 HydrophobicContact CB-CB 4.01Å; A529-Q552 PolarHBondContact N-O 3.42Å; A529-L553 HydrophobicContact CB-CD1 3.88Å; A529-L553 CarbonylContact O-C 3.6Å; A529-L553 WeakPolarHBondContact O-CA 3.47Å; A529-I554 PolarHBondContact O-N 2.96Å; A529-L647 CarbonylContact C-O 3.55Å; A529-L647 WeakPolarHBondContact CA-O 3.46Å; A529-L647 HydrophobicContact CB-CB 4.47Å |
| 530 | I | 98.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.5 | 174.3 | -57.4 | 158 | 0 | 0 | 0 | 108.3 | I554 L640 I646 L647 W648 N649 V667 I671 | I530-I554 CarbonylContact C-O 3.58Å; I530-I554 WeakPolarHBondContact CA-O 3.37Å; I530-I554 HydrophobicContact CB-CB 4.42Å; I530-I554 HydrophobicContact CG1-CB 3.99Å; I530-I554 HydrophobicContact CG1-CD1 3.95Å; I530-I554 HydrophobicContact CG1-CG1 4.49Å; I530-I554 HydrophobicContact CG1-CG2 4.3Å; I530-I554 HydrophobicContact CG2-CB 4.49Å; I530-I554 HydrophobicContact CG2-CG2 4.22Å; I530-L640 HydrophobicContact CD1-CD1 4.11Å; I530-L640 HydrophobicContact CD1-CD2 3.76Å; I530-L640 HydrophobicContact CG1-CD2 4.27Å; I530-I646 HydrophobicContact CD1-CG2 4.44Å; I530-L647 PolarHBondContact N-O 3.29Å; I530-W648 HydrophobicContact CD1-CB 4.43Å; I530-W648 HydrophobicContact CD1-CG 4.26Å; I530-N649 CarbonylContact O-C 3.57Å; I530-N649 WeakPolarHBondContact O-CA 3.44Å; I530-N649 PolarHBondContact O-N 2.9Å; I530-V667 HydrophobicContact CD1-CG1 3.87Å; I530-I671 HydrophobicContact CD1-CD1 3.62Å; I530-I671 HydrophobicContact CD1-CG1 4.2Å |
| 531 | V | 97.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 93.2 | 178.2 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | K539 V542 L543 L546 L553 I554 V555 G556 I559 N649 | V531-K539 HydrophobicContact CG1-CB 4.23Å; V531-K539 HydrophobicContact CG1-CD 3.63Å; V531-V542 HydrophobicContact CG1-CG1 4.24Å; V531-V542 HydrophobicContact CG2-CG1 4.16Å; V531-L543 HydrophobicContact CB-CD2 3.81Å; V531-L543 HydrophobicContact CG1-CD2 3.83Å; V531-L543 HydrophobicContact CG1-CG 4.25Å; V531-L543 HydrophobicContact CG2-CD2 4.17Å; V531-L546 HydrophobicContact CG2-CD1 3.58Å; V531-L553 HydrophobicContact CB-CD1 4.44Å; V531-L553 HydrophobicContact CG2-CD1 3.72Å; V531-I554 PolarHBondContact N-O 3.29Å; V531-V555 WeakPolarHBondContact O-CA 3.31Å; V531-G556 PolarHBondContact O-N 3.12Å; V531-G556 VanDerWaalsContact O-N 3.13Å; V531-I559 HydrophobicContact CG1-CD1 4.07Å; V531-N649 CarbonylContact C-O 3.6Å; V531-N649 WeakPolarHBondContact CA-O 3.4Å |
| 532 | G | 96.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 144.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K539 G556 N649 P651 | G532-K539 PolarHBondContact O-NZ 3.13Å; G532-G556 WeakPolarHBondContact CA-O 3.38Å; G532-N649 PolarHBondContact N-O 3.15Å; G532-P651 VanDerWaalsContact CA-O 3.24Å; G532-P651 WeakPolarHBondContact CA-O 3.48Å |
| 533 | G | 95 | Very high | 93.1 | Very high | 13 Ų | 13 | 32 Ų | 32 | 13% | 0.134 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.3 | 175.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G556 G557 G558 I559 | G533-G556 PolarHBondContact N-O 2.86Å; G533-G556 VanDerWaalsContact N-O 3.08Å; G533-G557 CarbonylContact O-C 3.5Å; G533-G558 WeakPolarHBondContact O-CA 3.49Å; G533-G558 PolarHBondContact O-N 3.29Å; G533-I559 PolarHBondContact O-N 3.03Å; G533-I559 VanDerWaalsContact O-N 3.12Å |
| 534 | S | 92.6 | Very high | 93.2 | Very high | 68 Ų | 68 | 33.5 Ų | 33.5 | 48% | 0.476 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -79.4 | -25.3 | -178.5 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | L575 | S534-L575 VanDerWaalsContact O-CD2 3.31Å; S534-L575 WeakPolarHBondContact O-CD2 3.41Å |
| 535 | K | 90.7 | Very high | 93.2 | Very high | 93 Ų | 93 | 31.9 Ų | 31.9 | 40% | 0.404 | 18% | 0.179 | S | C | . | . | trans | -144.3 | 132.7 | -172.1 | -66 | -176 | -177.6 | -175.1 | 0 | 112.2 | S537 T538 E577 | K535-S537 VanDerWaalsContact C-N 3.34Å; K535-T538 HydrophobicContact CB-CG2 4.07Å; K535-T538 HydrophobicContact CD-CG2 4.35Å; K535-T538 PolarHBondContact O-OG1 2.94Å; K535-E577 VanDerWaalsContact C-OE2 3.32Å; K535-E577 WeakPolarHBondContact CA-OE2 3.49Å; K535-E577 WeakPolarHBondContact CB-OE2 3.21Å | ||
| 536 | V | 89.9 | Confident | 93.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -61.4 | -42.9 | 169.1 | -179 | 0 | 0 | 0 | 0 | 110.1 | T538 K539 L540 L543 I559 T562 E577 L580 | V536-T538 PolarHBondContact O-N 2.58Å; V536-T538 VanDerWaalsContact O-N 3.13Å; V536-K539 CarbonylContact O-C 3.1Å; V536-K539 PolarHBondContact O-N 2.79Å; V536-L540 HydrophobicContact CG1-CD1 4.19Å; V536-L540 WeakPolarHBondContact O-CA 3.49Å; V536-L540 PolarHBondContact O-N 2.94Å; V536-L543 HydrophobicContact CG1-CD1 4.03Å; V536-I559 HydrophobicContact CG2-CB 4.31Å; V536-I559 HydrophobicContact CG2-CG1 4.36Å; V536-I559 HydrophobicContact CG2-CG2 4.09Å; V536-T562 HydrophobicContact CG2-CG2 3.85Å; V536-E577 WeakPolarHBondContact CA-OE2 3.35Å; V536-E577 PolarHBondContact N-OE2 3.39Å; V536-L580 HydrophobicContact CB-CB 4.4Å; V536-L580 HydrophobicContact CB-CD1 4Å; V536-L580 HydrophobicContact CG1-CB 4.36Å; V536-L580 HydrophobicContact CG1-CD1 4.22Å |
| 537 | S | 91.6 | Very high | 92.9 | Very high | 58 Ų | 58 | 25 Ų | 25 | 41% | 0.406 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -53.1 | -40.4 | -176.7 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | K535 K539 E577 | K535-S537 VanDerWaalsContact C-N 3.34Å; S537-K539 VanDerWaalsContact C-N 3.29Å; S537-K539 PolarHBondContact O-N 2.86Å; S537-E577 WeakPolarHBondContact CB-OE1 3.48Å; S537-E577 PolarHBondContact N-OE2 3Å; S537-E577 PolarHBondContact OG-OE1 2.72Å; S537-E577 PolarHBondContact OG-OE2 2.75Å |
| 538 | T | 88.6 | Confident | 92.4 | Very high | 89 Ų | 89 | 33.2 Ų | 33.2 | 55% | 0.546 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -75.9 | -15.4 | -178.2 | 63.2 | 0 | 0 | 0 | 0 | 114.1 | K535 V536 | K535-T538 HydrophobicContact CB-CG2 4.07Å; K535-T538 HydrophobicContact CD-CG2 4.35Å; K535-T538 PolarHBondContact O-OG1 2.94Å; V536-T538 PolarHBondContact O-N 2.58Å; V536-T538 VanDerWaalsContact O-N 3.13Å |
| 539 | K | 92.1 | Very high | 91.9 | Very high | 23 Ų | 23 | 34.6 Ų | 34.6 | 10% | 0.1 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -128.3 | 13.7 | -177.9 | -64.6 | -160.3 | -178.5 | -176.8 | 0 | 113.1 | V531 G532 V536 S537 T541 V542 L543 I559 N649 | V531-K539 HydrophobicContact CG1-CB 4.23Å; V531-K539 HydrophobicContact CG1-CD 3.63Å; G532-K539 PolarHBondContact O-NZ 3.13Å; V536-K539 CarbonylContact O-C 3.1Å; V536-K539 PolarHBondContact O-N 2.79Å; S537-K539 VanDerWaalsContact C-N 3.29Å; S537-K539 PolarHBondContact O-N 2.86Å; K539-T541 VanDerWaalsContact C-N 3.32Å; K539-T541 PolarHBondContact O-N 3.5Å; K539-V542 HydrophobicContact CB-CB 4.33Å; K539-V542 WeakPolarHBondContact O-CB 3.38Å; K539-V542 PolarHBondContact O-N 3.38Å; K539-V542 VanDerWaalsContact O-N 3.08Å; K539-L543 WeakPolarHBondContact O-CG 3.31Å; K539-L543 PolarHBondContact O-N 2.98Å; K539-I559 HydrophobicContact CB-CD1 4.08Å; K539-I559 HydrophobicContact CD-CD1 3.93Å; K539-I559 HydrophobicContact CG-CD1 4.31Å; K539-N649 WeakPolarHBondContact CE-OD1 3.37Å; K539-N649 PolarHBondContact NZ-O 2.92Å; K539-N649 PolarHBondContact NZ-OD1 3.38Å |
| 540 | L | 90.8 | Very high | 91.7 | Very high | 36 Ų | 36 | 35.1 Ų | 35.1 | 19% | 0.188 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.1 | -43.7 | -176.5 | -177.3 | 61.2 | 0 | 0 | 0 | 111.1 | V536 V542 L543 D544 L580 E583 L587 | V536-L540 HydrophobicContact CG1-CD1 4.19Å; V536-L540 WeakPolarHBondContact O-CA 3.49Å; V536-L540 PolarHBondContact O-N 2.94Å; L540-V542 VanDerWaalsContact C-N 3.32Å; L540-V542 PolarHBondContact O-N 3.45Å; L540-L543 PolarHBondContact O-N 3.47Å; L540-D544 WeakPolarHBondContact O-CB 3.49Å; L540-D544 PolarHBondContact O-N 3.11Å; L540-L580 HydrophobicContact CD2-CD2 4.18Å; L540-E583 HydrophobicContact CD1-CB 4.22Å; L540-L587 HydrophobicContact CD1-CD1 4.45Å |
| 541 | T | 88.3 | Confident | 91.5 | Very high | 70 Ų | 70 | 38.4 Ų | 38.4 | 43% | 0.429 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.9 | -35.2 | 176.5 | -45.8 | 0 | 0 | 0 | 0 | 112.5 | K539 S545 E713 | K539-T541 VanDerWaalsContact C-N 3.32Å; K539-T541 PolarHBondContact O-N 3.5Å; T541-S545 WeakPolarHBondContact O-CB 3.26Å; T541-S545 PolarHBondContact O-N 2.82Å; T541-E713 HydrophobicContact CG2-CB 3.86Å; T541-E713 HydrophobicContact CG2-CG 3.86Å |
| 542 | V | 90.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.6 | -46.8 | 173.9 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | V531 K539 L540 S545 L546 L709 V712 E713 | V531-V542 HydrophobicContact CG1-CG1 4.24Å; V531-V542 HydrophobicContact CG2-CG1 4.16Å; K539-V542 HydrophobicContact CB-CB 4.33Å; K539-V542 WeakPolarHBondContact O-CB 3.38Å; K539-V542 PolarHBondContact O-N 3.38Å; K539-V542 VanDerWaalsContact O-N 3.08Å; L540-V542 VanDerWaalsContact C-N 3.32Å; L540-V542 PolarHBondContact O-N 3.45Å; V542-S545 PolarHBondContact O-N 3.04Å; V542-L546 HydrophobicContact CG1-CD1 3.7Å; V542-L546 HydrophobicContact CG1-CG 4.5Å; V542-L546 WeakPolarHBondContact O-CB 3.37Å; V542-L546 WeakPolarHBondContact O-CG 3.45Å; V542-L546 PolarHBondContact O-N 3.46Å; V542-L709 HydrophobicContact CG2-CD2 4.15Å; V542-V712 HydrophobicContact CG1-CG1 4.01Å; V542-E713 HydrophobicContact CB-CG 4.43Å; V542-E713 HydrophobicContact CG2-CG 3.52Å |
| 543 | L | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 177.4 | -68.5 | 166.7 | 0 | 0 | 0 | 111.6 | V531 V536 K539 L540 S545 L546 S547 L553 V555 I559 F563 L587 | V531-L543 HydrophobicContact CB-CD2 3.81Å; V531-L543 HydrophobicContact CG1-CD2 3.83Å; V531-L543 HydrophobicContact CG1-CG 4.25Å; V531-L543 HydrophobicContact CG2-CD2 4.17Å; V536-L543 HydrophobicContact CG1-CD1 4.03Å; K539-L543 WeakPolarHBondContact O-CG 3.31Å; K539-L543 PolarHBondContact O-N 2.98Å; L540-L543 PolarHBondContact O-N 3.47Å; L543-S545 VanDerWaalsContact C-N 3.33Å; L543-S545 PolarHBondContact O-N 3.29Å; L543-L546 PolarHBondContact O-N 3.41Å; L543-S547 WeakPolarHBondContact O-CB 3.27Å; L543-S547 PolarHBondContact O-N 3.4Å; L543-S547 PolarHBondContact O-OG 3.24Å; L543-L553 HydrophobicContact CD2-CD1 4.37Å; L543-L553 HydrophobicContact CD2-CD2 3.92Å; L543-L553 HydrophobicContact CD2-CG 4.42Å; L543-V555 HydrophobicContact CD2-CG1 4.1Å; L543-I559 HydrophobicContact CD1-CG2 4.1Å; L543-F563 HydrophobicContact CD1-CE2 4.49Å; L543-L587 HydrophobicContact CB-CD1 3.95Å; L543-L587 HydrophobicContact CD1-CD1 4.42Å |
| 544 | D | 89.1 | Confident | 91.7 | Very high | 38 Ų | 38 | 39.8 Ų | 39.8 | 20% | 0.203 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.4 | -32.2 | 177.6 | -85.1 | -36.3 | 0 | 0 | 0 | 113.4 | L540 S547 K548 R586 | L540-D544 WeakPolarHBondContact O-CB 3.49Å; L540-D544 PolarHBondContact O-N 3.11Å; D544-S547 PolarHBondContact O-OG 3.35Å; D544-S547 VanDerWaalsContact O-OG 3.12Å; D544-K548 WeakPolarHBondContact O-CD 3.47Å; D544-K548 VanDerWaalsContact O-CE 3.27Å; D544-K548 WeakPolarHBondContact O-CE 3.46Å; D544-K548 WeakPolarHBondContact O-CG 3.35Å; D544-R586 IonicContact OD1-CZ 3.33Å; D544-R586 IonicContact OD1-NH1 2.98Å; D544-R586 PolarHBondContact OD1-NH1 2.8Å; D544-R586 IonicContact OD1-NH2 2.75Å; D544-R586 PolarHBondContact OD1-NH2 2.81Å; D544-R586 IonicContact OD2-NH2 3.35Å; D544-R586 PolarHBondContact OD2-NH2 2.94Å |
| 545 | S | 89.4 | Confident | 91.9 | Very high | 18 Ų | 18 | 36.7 Ų | 36.7 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.9 | -51.9 | 174.6 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | T541 V542 L543 S547 K548 V712 | T541-S545 WeakPolarHBondContact O-CB 3.26Å; T541-S545 PolarHBondContact O-N 2.82Å; V542-S545 PolarHBondContact O-N 3.04Å; L543-S545 VanDerWaalsContact C-N 3.33Å; L543-S545 PolarHBondContact O-N 3.29Å; S545-S547 PolarHBondContact O-N 3.01Å; S545-K548 PolarHBondContact O-N 2.9Å; S545-V712 VanDerWaalsContact CB-O 3.22Å; S545-V712 WeakPolarHBondContact CB-O 3.43Å; S545-V712 PolarHBondContact OG-O 3.08Å |
| 546 | L | 92.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.9 | -29.4 | -176.6 | -70.6 | 170.5 | 0 | 0 | 0 | 113.2 | L520 M527 A529 V531 V542 L543 K548 I549 A550 L553 L647 V712 | L520-L546 HydrophobicContact CD2-CD2 3.89Å; M527-L546 HydrophobicContact CE-CD2 4.42Å; A529-L546 HydrophobicContact CB-CB 4.37Å; A529-L546 HydrophobicContact CB-CD1 4.02Å; A529-L546 HydrophobicContact CB-CD2 4.21Å; A529-L546 HydrophobicContact CB-CG 4.44Å; V531-L546 HydrophobicContact CG2-CD1 3.58Å; V542-L546 HydrophobicContact CG1-CD1 3.7Å; V542-L546 HydrophobicContact CG1-CG 4.5Å; V542-L546 WeakPolarHBondContact O-CB 3.37Å; V542-L546 WeakPolarHBondContact O-CG 3.45Å; V542-L546 PolarHBondContact O-N 3.46Å; L543-L546 PolarHBondContact O-N 3.41Å; L546-K548 PolarHBondContact O-N 3.34Å; L546-I549 PolarHBondContact O-N 3.26Å; L546-A550 WeakPolarHBondContact O-CB 3.45Å; L546-A550 PolarHBondContact O-N 2.91Å; L546-L553 HydrophobicContact CB-CD1 4.23Å; L546-L647 HydrophobicContact CD1-CD2 4.15Å; L546-L647 HydrophobicContact CD2-CD1 4.15Å; L546-V712 HydrophobicContact CD1-CG1 3.82Å; L546-V712 HydrophobicContact CD2-CG1 3.86Å; L546-V712 HydrophobicContact CG-CG1 3.77Å |
| 547 | S | 91.3 | Very high | 92.6 | Very high | 19 Ų | 19 | 33.2 Ų | 33.2 | 13% | 0.133 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22.2 | 175.9 | 65.2 | 0 | 0 | 0 | 0 | 113.4 | L543 D544 S545 | L543-S547 WeakPolarHBondContact O-CB 3.27Å; L543-S547 PolarHBondContact O-N 3.4Å; L543-S547 PolarHBondContact O-OG 3.24Å; D544-S547 PolarHBondContact O-OG 3.35Å; D544-S547 VanDerWaalsContact O-OG 3.12Å; S545-S547 PolarHBondContact O-N 3.01Å |
| 548 | K | 86.8 | Confident | 92.9 | Very high | 172 Ų | 172 | 30.8 Ų | 30.8 | 75% | 0.748 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -18 | 175.6 | -60.4 | 168.4 | -172.6 | 169 | 0 | 112.8 | D544 S545 L546 | D544-K548 WeakPolarHBondContact O-CD 3.47Å; D544-K548 VanDerWaalsContact O-CE 3.27Å; D544-K548 WeakPolarHBondContact O-CE 3.46Å; D544-K548 WeakPolarHBondContact O-CG 3.35Å; S545-K548 PolarHBondContact O-N 2.9Å; L546-K548 PolarHBondContact O-N 3.34Å |
| 549 | I | 87.2 | Confident | 93.3 | Very high | 29 Ų | 29 | 26.6 Ų | 26.6 | 15% | 0.149 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -49.4 | -173.4 | -56.9 | 172.8 | 0 | 0 | 0 | 110.3 | L520 P523 R525 L546 | L520-I549 HydrophobicContact CD2-CD1 4.08Å; P523-I549 HydrophobicContact CG-CG2 4.38Å; R525-I549 PolarHBondContact NH1-O 2.86Å; R525-I549 PolarHBondContact NH2-O 3.35Å; L546-I549 PolarHBondContact O-N 3.26Å |
| 550 | A | 93.2 | Very high | 93.6 | Very high | 10 Ų | 10 | 25.6 Ų | 25.6 | 8% | 0.083 | 14% | 0.141 | C | C | . | . | trans | -72.7 | 146 | -174 | 0 | 0 | 0 | 0 | 0 | 112.8 | M527 A529 L546 Q552 | M527-A550 WeakPolarHBondContact SD-CA 3.37Å; M527-A550 HydrophobicContact SD-CB 3.46Å; M527-A550 WeakPolarHBondContact SD-CB 3.48Å; A529-A550 HydrophobicContact CB-CB 4.01Å; L546-A550 WeakPolarHBondContact O-CB 3.45Å; L546-A550 PolarHBondContact O-N 2.91Å; A550-Q552 WeakPolarHBondContact CB-O 3.4Å | ||
| 551 | D | 94.2 | Very high | 93.9 | Very high | 69 Ų | 69 | 24.2 Ų | 24.2 | 37% | 0.369 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -74.6 | -33.9 | 167.4 | -59 | -72.4 | 0 | 0 | 0 | 110.5 | R525 P526 M527 | R525-D551 WeakPolarHBondContact CD-OD2 3.44Å; R525-D551 IonicContact CZ-OD1 2.72Å; R525-D551 IonicContact CZ-OD2 2.8Å; R525-D551 IonicContact NE-OD2 3.2Å; R525-D551 IonicContact NH1-OD1 3.11Å; R525-D551 PolarHBondContact NH1-OD1 3.15Å; R525-D551 VanDerWaalsContact NH1-OD1 3.11Å; R525-D551 IonicContact NH1-OD2 2.81Å; R525-D551 PolarHBondContact NH1-OD2 3.34Å; P526-D551 VanDerWaalsContact CA-OD2 3.31Å; P526-D551 WeakPolarHBondContact CA-OD2 3.5Å; M527-D551 PolarHBondContact N-OD2 2.82Å; M527-D551 PolarHBondContact O-N 3.12Å |
| 552 | Q | 96.5 | Very high | 94.4 | Very high | 41 Ų | 41 | 20.9 Ų | 20.9 | 19% | 0.192 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 137.5 | 173.2 | -65.1 | -175.8 | -84.4 | 0 | 0 | 111.1 | M527 V528 A529 A550 N592 | M527-Q552 PolarHBondContact O-N 2.93Å; V528-Q552 WeakPolarHBondContact CA-O 3.39Å; V528-Q552 HydrophobicContact CG2-CB 4.44Å; A529-Q552 PolarHBondContact N-O 3.42Å; A550-Q552 WeakPolarHBondContact CB-O 3.4Å; Q552-N592 VanDerWaalsContact CA-O 3.32Å; Q552-N592 WeakPolarHBondContact CA-O 3.28Å; Q552-N592 HydrophobicContact CG-CB 4.18Å |
| 553 | L | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 106.7 | -179.9 | 174.3 | 64.7 | 0 | 0 | 0 | 109.7 | A529 V531 L543 L546 N592 I593 | A529-L553 HydrophobicContact CB-CD1 3.88Å; A529-L553 CarbonylContact O-C 3.6Å; A529-L553 WeakPolarHBondContact O-CA 3.47Å; V531-L553 HydrophobicContact CB-CD1 4.44Å; V531-L553 HydrophobicContact CG2-CD1 3.72Å; L543-L553 HydrophobicContact CD2-CD1 4.37Å; L543-L553 HydrophobicContact CD2-CD2 3.92Å; L543-L553 HydrophobicContact CD2-CG 4.42Å; L546-L553 HydrophobicContact CB-CD1 4.23Å; L553-N592 PolarHBondContact N-O 2.84Å; L553-I593 HydrophobicContact CB-CG1 4.03Å; L553-I593 HydrophobicContact CD2-CD1 4.17Å; L553-I593 HydrophobicContact CD2-CG1 4.36Å; L553-I593 HydrophobicContact CG-CG1 4.38Å; L553-I593 WeakPolarHBondContact O-CA 3.41Å; L553-I593 WeakPolarHBondContact O-CG2 3.35Å |
| 554 | I | 98.5 | Very high | 95 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 128 | 177.2 | -62.2 | 171.1 | 0 | 0 | 0 | 108.7 | V528 A529 I530 V531 P594 L636 I639 L640 | V528-I554 HydrophobicContact CG1-CD1 3.65Å; V528-I554 HydrophobicContact CG1-CG1 4.12Å; A529-I554 PolarHBondContact O-N 2.96Å; I530-I554 CarbonylContact C-O 3.58Å; I530-I554 WeakPolarHBondContact CA-O 3.37Å; I530-I554 HydrophobicContact CB-CB 4.42Å; I530-I554 HydrophobicContact CG1-CB 3.99Å; I530-I554 HydrophobicContact CG1-CD1 3.95Å; I530-I554 HydrophobicContact CG1-CG1 4.49Å; I530-I554 HydrophobicContact CG1-CG2 4.3Å; I530-I554 HydrophobicContact CG2-CB 4.49Å; I530-I554 HydrophobicContact CG2-CG2 4.22Å; V531-I554 PolarHBondContact N-O 3.29Å; I554-P594 HydrophobicContact CG1-CG 4.46Å; I554-L636 HydrophobicContact CB-CD2 4.5Å; I554-L636 HydrophobicContact CD1-CB 4.44Å; I554-L636 HydrophobicContact CD1-CD2 3.89Å; I554-L636 HydrophobicContact CG1-CD2 3.9Å; I554-L636 HydrophobicContact CG2-CD1 3.72Å; I554-L636 HydrophobicContact CG2-CD2 3.86Å; I554-L636 HydrophobicContact CG2-CG 4.38Å; I554-I639 HydrophobicContact CD1-CG2 4.31Å; I554-L640 HydrophobicContact CD1-CD2 4.17Å; I554-L640 HydrophobicContact CD1-CG 4.23Å |
| 555 | V | 98.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.018 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 144.8 | 174.8 | -68.4 | 0 | 0 | 0 | 0 | 110.9 | V531 L543 I559 A560 F563 I593 | V531-V555 WeakPolarHBondContact O-CA 3.31Å; L543-V555 HydrophobicContact CD2-CG1 4.1Å; V555-I559 HydrophobicContact CB-CG2 3.87Å; V555-I559 HydrophobicContact CG1-CG2 3.83Å; V555-A560 HydrophobicContact CB-CB 4.42Å; V555-A560 HydrophobicContact CG2-CB 4.04Å; V555-F563 HydrophobicContact CG1-CD2 4.24Å; V555-F563 HydrophobicContact CG1-CE2 4.04Å; V555-F563 HydrophobicContact CG1-CZ 4.27Å; V555-F563 HydrophobicContact CG2-CB 4.21Å; V555-F563 HydrophobicContact CG2-CD2 4.27Å; V555-F563 HydrophobicContact CG2-CG 4.11Å; V555-I593 HydrophobicContact CG1-CG2 4.17Å; V555-I593 HydrophobicContact CG2-CG2 3.93Å |
| 556 | G | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 153.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V531 G532 G533 I559 | V531-G556 PolarHBondContact O-N 3.12Å; V531-G556 VanDerWaalsContact O-N 3.13Å; G532-G556 WeakPolarHBondContact CA-O 3.38Å; G533-G556 PolarHBondContact N-O 2.86Å; G533-G556 VanDerWaalsContact N-O 3.08Å; G556-I559 WeakPolarHBondContact O-CB 3.37Å |
| 557 | G | 97.2 | Very high | 96 | Very high | 21 Ų | 21 | 24.1 Ų | 24.1 | 22% | 0.216 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 66.8 | -142.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G533 I559 A560 N561 V652 | G533-G557 CarbonylContact O-C 3.5Å; G557-I559 PolarHBondContact O-N 3.42Å; G557-A560 WeakPolarHBondContact O-CA 3.48Å; G557-A560 WeakPolarHBondContact O-CB 3.25Å; G557-A560 PolarHBondContact O-N 2.82Å; G557-N561 PolarHBondContact O-N 2.94Å; G557-V652 PolarHBondContact N-O 2.77Å |
| 558 | G | 97.1 | Very high | 96.2 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 7% | 0.072 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.6 | -23.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G533 T562 L575 | G533-G558 WeakPolarHBondContact O-CA 3.49Å; G533-G558 PolarHBondContact O-N 3.29Å; G558-T562 PolarHBondContact O-N 3.17Å; G558-T562 PolarHBondContact O-OG1 2.88Å; G558-T562 VanDerWaalsContact O-OG1 3.04Å; G558-L575 VanDerWaalsContact CA-O 3.28Å; G558-L575 WeakPolarHBondContact CA-O 3.34Å |
| 559 | I | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.9 | -53.8 | 167.9 | -61 | 177.2 | 0 | 0 | 0 | 109.1 | V531 G533 V536 K539 L543 V555 G556 G557 N561 T562 F563 | V531-I559 HydrophobicContact CG1-CD1 4.07Å; G533-I559 PolarHBondContact O-N 3.03Å; G533-I559 VanDerWaalsContact O-N 3.12Å; V536-I559 HydrophobicContact CG2-CB 4.31Å; V536-I559 HydrophobicContact CG2-CG1 4.36Å; V536-I559 HydrophobicContact CG2-CG2 4.09Å; K539-I559 HydrophobicContact CB-CD1 4.08Å; K539-I559 HydrophobicContact CD-CD1 3.93Å; K539-I559 HydrophobicContact CG-CD1 4.31Å; L543-I559 HydrophobicContact CD1-CG2 4.1Å; V555-I559 HydrophobicContact CB-CG2 3.87Å; V555-I559 HydrophobicContact CG1-CG2 3.83Å; G556-I559 WeakPolarHBondContact O-CB 3.37Å; G557-I559 PolarHBondContact O-N 3.42Å; I559-N561 VanDerWaalsContact C-N 3.3Å; I559-N561 PolarHBondContact O-N 2.81Å; I559-T562 WeakPolarHBondContact O-CB 3.39Å; I559-T562 PolarHBondContact O-N 2.7Å; I559-F563 HydrophobicContact CG2-CD2 4.23Å; I559-F563 HydrophobicContact CG2-CE2 4.05Å; I559-F563 WeakPolarHBondContact O-CD2 3.43Å; I559-F563 PolarHBondContact O-N 2.92Å |
| 560 | A | 98.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.9 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V555 G557 T562 F563 I564 P596 | V555-A560 HydrophobicContact CB-CB 4.42Å; V555-A560 HydrophobicContact CG2-CB 4.04Å; G557-A560 WeakPolarHBondContact O-CA 3.48Å; G557-A560 WeakPolarHBondContact O-CB 3.25Å; G557-A560 PolarHBondContact O-N 2.82Å; A560-T562 PolarHBondContact O-N 2.91Å; A560-F563 CarbonylContact O-C 3.55Å; A560-F563 WeakPolarHBondContact O-CA 3.45Å; A560-F563 WeakPolarHBondContact O-CB 3.35Å; A560-F563 PolarHBondContact O-N 3.49Å; A560-I564 WeakPolarHBondContact O-CG1 3.47Å; A560-I564 PolarHBondContact O-N 3.11Å; A560-P596 HydrophobicContact CB-CG 4.41Å |
| 561 | N | 98.3 | Very high | 97.4 | Very high | 7 Ų | 7 | 24 Ų | 24 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.1 | -36.9 | 176.6 | -65.5 | -16.7 | 0 | 0 | 0 | 112.6 | G557 I559 F563 I564 A565 L575 I625 | G557-N561 PolarHBondContact O-N 2.94Å; I559-N561 VanDerWaalsContact C-N 3.3Å; I559-N561 PolarHBondContact O-N 2.81Å; N561-F563 VanDerWaalsContact C-N 3.34Å; N561-I564 PolarHBondContact O-N 2.88Å; N561-A565 PolarHBondContact O-N 3.46Å; N561-L575 VanDerWaalsContact CB-O 3.27Å; N561-L575 WeakPolarHBondContact CB-O 3.5Å; N561-L575 PolarHBondContact ND2-O 2.77Å; N561-I625 WeakPolarHBondContact OD1-CG2 3.48Å |
| 562 | T | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.8 | -34.5 | 175.9 | -52.4 | 0 | 0 | 0 | 0 | 111.5 | V536 G558 I559 A560 A566 E577 L580 V581 A584 | V536-T562 HydrophobicContact CG2-CG2 3.85Å; G558-T562 PolarHBondContact O-N 3.17Å; G558-T562 PolarHBondContact O-OG1 2.88Å; G558-T562 VanDerWaalsContact O-OG1 3.04Å; I559-T562 WeakPolarHBondContact O-CB 3.39Å; I559-T562 PolarHBondContact O-N 2.7Å; A560-T562 PolarHBondContact O-N 2.91Å; T562-A566 WeakPolarHBondContact O-CB 3.45Å; T562-A566 PolarHBondContact O-N 3.4Å; T562-E577 WeakPolarHBondContact CG2-O 3.34Å; T562-E577 PolarHBondContact OG1-N 3.45Å; T562-E577 VanDerWaalsContact OG1-N 3.09Å; T562-L580 HydrophobicContact CG2-CB 4.49Å; T562-V581 HydrophobicContact CG2-CG2 4.34Å; T562-A584 HydrophobicContact CG2-CB 4.32Å |
| 563 | F | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.2 | -35.4 | 173.9 | -80.9 | -103.8 | 0 | 0 | 0 | 113 | L543 V555 I559 A560 N561 A566 Q567 A584 L587 L588 I593 V595 | L543-F563 HydrophobicContact CD1-CE2 4.49Å; V555-F563 HydrophobicContact CG1-CD2 4.24Å; V555-F563 HydrophobicContact CG1-CE2 4.04Å; V555-F563 HydrophobicContact CG1-CZ 4.27Å; V555-F563 HydrophobicContact CG2-CB 4.21Å; V555-F563 HydrophobicContact CG2-CD2 4.27Å; V555-F563 HydrophobicContact CG2-CG 4.11Å; I559-F563 HydrophobicContact CG2-CD2 4.23Å; I559-F563 HydrophobicContact CG2-CE2 4.05Å; I559-F563 WeakPolarHBondContact O-CD2 3.43Å; I559-F563 PolarHBondContact O-N 2.92Å; A560-F563 CarbonylContact O-C 3.55Å; A560-F563 WeakPolarHBondContact O-CA 3.45Å; A560-F563 WeakPolarHBondContact O-CB 3.35Å; A560-F563 PolarHBondContact O-N 3.49Å; N561-F563 VanDerWaalsContact C-N 3.34Å; F563-A566 WeakPolarHBondContact O-CB 3.38Å; F563-A566 PolarHBondContact O-N 2.81Å; F563-Q567 PolarHBondContact O-N 2.81Å; F563-A584 HydrophobicContact CD1-CB 4.04Å; F563-A584 HydrophobicContact CD2-CB 3.81Å; F563-A584 HydrophobicContact CE1-CB 4.01Å; F563-A584 WeakPolarHBondContact CE1-O 3.39Å; F563-A584 HydrophobicContact CE2-CB 3.81Å; F563-A584 HydrophobicContact CG-CB 3.95Å; F563-A584 HydrophobicContact CZ-CB 3.91Å; F563-L587 HydrophobicContact CE1-CB 3.96Å; F563-L587 HydrophobicContact CZ-CB 3.98Å; F563-L587 HydrophobicContact CZ-CD1 3.91Å; F563-L588 HydrophobicContact CD1-CD1 3.93Å; F563-L588 HydrophobicContact CD1-CD2 4.06Å; F563-L588 HydrophobicContact CD1-CG 3.68Å; F563-L588 HydrophobicContact CE1-CG 4.01Å; F563-I593 HydrophobicContact CD1-CD1 4.43Å; F563-I593 HydrophobicContact CD1-CG2 4.01Å; F563-I593 HydrophobicContact CE1-CD1 3.59Å; F563-I593 HydrophobicContact CE1-CG2 4.14Å; F563-I593 HydrophobicContact CZ-CD1 4.2Å; F563-V595 HydrophobicContact CB-CG2 4.25Å |
| 564 | I | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 171.6 | -67.2 | 168.3 | 0 | 0 | 0 | 109.8 | A560 N561 A566 Q567 G568 H569 V571 V595 P596 V599 V616 I625 | A560-I564 WeakPolarHBondContact O-CG1 3.47Å; A560-I564 PolarHBondContact O-N 3.11Å; N561-I564 PolarHBondContact O-N 2.88Å; I564-A566 VanDerWaalsContact C-N 3.29Å; I564-A566 PolarHBondContact O-N 2.94Å; I564-Q567 PolarHBondContact O-N 2.85Å; I564-G568 PolarHBondContact O-N 3.2Å; I564-H569 HydrophobicContact CG2-CB 3.65Å; I564-H569 PolarHBondContact O-N 3.35Å; I564-V571 HydrophobicContact CB-CG1 4.02Å; I564-V571 HydrophobicContact CG2-CG1 3.6Å; I564-V595 HydrophobicContact CB-CG1 4.42Å; I564-V595 HydrophobicContact CG1-CG1 3.59Å; I564-P596 HydrophobicContact CD1-CB 4.21Å; I564-P596 HydrophobicContact CD1-CG 4.18Å; I564-V599 HydrophobicContact CD1-CG1 4.16Å; I564-V616 HydrophobicContact CD1-CG1 4.17Å; I564-V616 HydrophobicContact CG2-CB 4.29Å; I564-V616 HydrophobicContact CG2-CG1 4.31Å; I564-I625 HydrophobicContact CD1-CD1 4.12Å |
| 565 | A | 97.8 | Very high | 97.5 | Very high | 20 Ų | 20 | 31.6 Ų | 31.6 | 17% | 0.165 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.5 | -36.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N561 Q567 G568 V571 Y576 V581 | N561-A565 PolarHBondContact O-N 3.46Å; A565-Q567 VanDerWaalsContact C-N 3.32Å; A565-Q567 PolarHBondContact O-N 3.05Å; A565-G568 PolarHBondContact O-N 2.95Å; A565-V571 HydrophobicContact CB-CG1 4.22Å; A565-V571 HydrophobicContact CB-CG2 4.4Å; A565-Y576 HydrophobicContact CB-CD2 3.87Å; A565-Y576 HydrophobicContact CB-CE2 4.04Å; A565-V581 HydrophobicContact CB-CG2 4.31Å |
| 566 | A | 96.9 | Very high | 97.5 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.7 | -29.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T562 F563 I564 G568 V581 A584 K585 L588 | T562-A566 WeakPolarHBondContact O-CB 3.45Å; T562-A566 PolarHBondContact O-N 3.4Å; F563-A566 WeakPolarHBondContact O-CB 3.38Å; F563-A566 PolarHBondContact O-N 2.81Å; I564-A566 VanDerWaalsContact C-N 3.29Å; I564-A566 PolarHBondContact O-N 2.94Å; A566-G568 PolarHBondContact O-N 3.05Å; A566-V581 HydrophobicContact CB-CG1 4.12Å; A566-A584 HydrophobicContact CB-CB 3.79Å; A566-K585 HydrophobicContact CB-CG 3.72Å; A566-K585 WeakPolarHBondContact O-CE 3.45Å; A566-K585 WeakPolarHBondContact O-CG 3.43Å; A566-L588 HydrophobicContact CB-CD1 4.18Å |
| 567 | Q | 96.6 | Very high | 97.5 | Very high | 96 Ų | 96 | 37.7 Ų | 37.7 | 45% | 0.449 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -5.2 | 171 | -72.8 | -173.9 | -30.2 | 0 | 0 | 113.5 | F563 I564 A565 L588 V595 | F563-Q567 PolarHBondContact O-N 2.81Å; I564-Q567 PolarHBondContact O-N 2.85Å; A565-Q567 VanDerWaalsContact C-N 3.32Å; A565-Q567 PolarHBondContact O-N 3.05Å; Q567-L588 HydrophobicContact CG-CD1 3.9Å; Q567-V595 VanDerWaalsContact OE1-CG1 3.27Å |
| 568 | G | 96.1 | Very high | 97.4 | Very high | 67 Ų | 67 | 39.5 Ų | 39.5 | 69% | 0.691 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 95.4 | 10.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I564 A565 A566 | I564-G568 PolarHBondContact O-N 3.2Å; A565-G568 PolarHBondContact O-N 2.95Å; A566-G568 PolarHBondContact O-N 3.05Å |
| 569 | H | 97.6 | Very high | 97.4 | Very high | 48 Ų | 48 | 46.9 Ų | 46.9 | 22% | 0.222 | 27% | 0.266 | C | S | . | . | trans | -84 | 141.6 | 174.8 | -56.9 | -71.5 | 0 | 0 | 0 | 111.1 | I564 N617 | I564-H569 HydrophobicContact CG2-CB 3.65Å; I564-H569 PolarHBondContact O-N 3.35Å; H569-N617 PolarHBondContact CE1-OD1 2.85Å; H569-N617 PolarHBondContact ND1-OD1 3.26Å | ||
| 570 | D | 97 | Very high | 97.3 | Very high | 107 Ų | 107 | 48.1 Ų | 48.1 | 57% | 0.572 | 27% | 0.272 | S | S | * | . | trans | -73.1 | 132.8 | 173.1 | -166 | -69.7 | 0 | 0 | 0 | 109.6 | G572 | D570-G572 WeakPolarHBondContact OD1-CA 3.42Å; D570-G572 PolarHBondContact OD1-N 3Å | ||
| 571 | V | 98 | Very high | 97.2 | Very high | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | trans | -110 | 8.9 | -178.6 | -62 | 0 | 0 | 0 | 0 | 112.8 | I564 A565 K573 S574 Y576 I625 | I564-V571 HydrophobicContact CB-CG1 4.02Å; I564-V571 HydrophobicContact CG2-CG1 3.6Å; A565-V571 HydrophobicContact CB-CG1 4.22Å; A565-V571 HydrophobicContact CB-CG2 4.4Å; V571-K573 PolarHBondContact O-N 3.44Å; V571-S574 WeakPolarHBondContact O-CB 3.5Å; V571-S574 PolarHBondContact O-N 3.02Å; V571-S574 PolarHBondContact O-OG 3.09Å; V571-Y576 HydrophobicContact CG2-CD1 3.6Å; V571-Y576 HydrophobicContact CG2-CD2 4.34Å; V571-Y576 HydrophobicContact CG2-CE1 3.8Å; V571-Y576 HydrophobicContact CG2-CG 3.89Å; V571-I625 HydrophobicContact CB-CD1 4.38Å; V571-I625 HydrophobicContact CG1-CD1 4.27Å | ||
| 572 | G | 97.2 | Very high | 97 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 25% | 0.247 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | -123.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | D570 K620 | D570-G572 WeakPolarHBondContact OD1-CA 3.42Å; D570-G572 PolarHBondContact OD1-N 3Å; G572-K620 WeakPolarHBondContact CA-O 3.47Å |
| 573 | K | 97.4 | Very high | 96.8 | Very high | 140 Ų | 140 | 57.4 Ų | 57.4 | 61% | 0.609 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 13.1 | 175.5 | -76.3 | -179.1 | -179.2 | 176.1 | 0 | 113.8 | V571 E623 Q624 | V571-K573 PolarHBondContact O-N 3.44Å; K573-E623 PolarHBondContact N-O 3.01Å; K573-Q624 HydrophobicContact CB-CB 4.37Å |
| 574 | S | 98 | Very high | 96.7 | Very high | 7 Ų | 7 | 57.4 Ų | 57.4 | 5% | 0.049 | 32% | 0.32 | C | S | . | . | trans | -59.1 | 148.4 | 178.1 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | V571 Y576 I625 | V571-S574 WeakPolarHBondContact O-CB 3.5Å; V571-S574 PolarHBondContact O-N 3.02Å; V571-S574 PolarHBondContact O-OG 3.09Å; S574-Y576 WeakPolarHBondContact O-CD1 3.28Å; S574-Y576 PolarHBondContact O-N 3.24Å; S574-I625 WeakPolarHBondContact OG-CB 3.21Å; S574-I625 WeakPolarHBondContact OG-CG1 3.27Å; S574-I625 PolarHBondContact OG-N 3Å | ||
| 575 | L | 97.1 | Very high | 96.5 | Very high | 99 Ų | 99 | 61.9 Ų | 61.9 | 52% | 0.518 | 34% | 0.34 | S | S | . | . | trans | -70.2 | 113.3 | 171.4 | -178.9 | 70.5 | 0 | 0 | 0 | 109.3 | S534 G558 N561 | S534-L575 VanDerWaalsContact O-CD2 3.31Å; S534-L575 WeakPolarHBondContact O-CD2 3.41Å; G558-L575 VanDerWaalsContact CA-O 3.28Å; G558-L575 WeakPolarHBondContact CA-O 3.34Å; N561-L575 VanDerWaalsContact CB-O 3.27Å; N561-L575 WeakPolarHBondContact CB-O 3.5Å; N561-L575 PolarHBondContact ND2-O 2.77Å | ||
| 576 | Y | 98 | Very high | 96.4 | Very high | 93 Ų | 93 | 65.1 Ų | 65.1 | 37% | 0.365 | 35% | 0.348 | S | S | . | . | trans | -150.3 | 165.7 | 174.7 | 84.6 | -70.1 | 0 | 0 | 0 | 110.8 | A565 V571 S574 A578 V581 | A565-Y576 HydrophobicContact CB-CD2 3.87Å; A565-Y576 HydrophobicContact CB-CE2 4.04Å; V571-Y576 HydrophobicContact CG2-CD1 3.6Å; V571-Y576 HydrophobicContact CG2-CD2 4.34Å; V571-Y576 HydrophobicContact CG2-CE1 3.8Å; V571-Y576 HydrophobicContact CG2-CG 3.89Å; S574-Y576 WeakPolarHBondContact O-CD1 3.28Å; S574-Y576 PolarHBondContact O-N 3.24Å; Y576-A578 HydrophobicContact CE2-CB 3.91Å; Y576-V581 HydrophobicContact CE2-CG2 4.43Å | ||
| 577 | E | 97 | Very high | 96.2 | Very high | 39 Ų | 39 | 64.8 Ų | 64.8 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | trans | -113.8 | 98.8 | 180 | -70.3 | 174.8 | 122.7 | 0 | 0 | 111.1 | K535 V536 S537 T562 D579 L580 | K535-E577 VanDerWaalsContact C-OE2 3.32Å; K535-E577 WeakPolarHBondContact CA-OE2 3.49Å; K535-E577 WeakPolarHBondContact CB-OE2 3.21Å; V536-E577 WeakPolarHBondContact CA-OE2 3.35Å; V536-E577 PolarHBondContact N-OE2 3.39Å; S537-E577 WeakPolarHBondContact CB-OE1 3.48Å; S537-E577 PolarHBondContact N-OE2 3Å; S537-E577 PolarHBondContact OG-OE1 2.72Å; S537-E577 PolarHBondContact OG-OE2 2.75Å; T562-E577 WeakPolarHBondContact CG2-O 3.34Å; T562-E577 PolarHBondContact OG1-N 3.45Å; T562-E577 VanDerWaalsContact OG1-N 3.09Å; E577-D579 VanDerWaalsContact C-N 3.27Å; E577-D579 PolarHBondContact O-N 3.28Å; E577-L580 HydrophobicContact CB-CB 4.16Å; E577-L580 HydrophobicContact CB-CD1 4.1Å; E577-L580 PolarHBondContact O-N 2.71Å | ||
| 578 | A | 95.2 | Very high | 96.1 | Very high | 58 Ų | 58 | 62.3 Ų | 62.3 | 48% | 0.479 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -56.3 | -39.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y576 L580 V581 | Y576-A578 HydrophobicContact CE2-CB 3.91Å; A578-L580 PolarHBondContact O-N 3.03Å; A578-L580 VanDerWaalsContact O-N 3.14Å; A578-V581 WeakPolarHBondContact O-CB 3.08Å; A578-V581 WeakPolarHBondContact O-CG2 3.26Å; A578-V581 PolarHBondContact O-N 3.27Å |
| 579 | D | 95.8 | Very high | 95.8 | Very high | 163 Ų | 163 | 64.7 Ų | 64.7 | 87% | 0.872 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -67.5 | -10.8 | 179.6 | -60 | -25.1 | 0 | 0 | 0 | 113.5 | E577 | E577-D579 VanDerWaalsContact C-N 3.27Å; E577-D579 PolarHBondContact O-N 3.28Å |
| 580 | L | 95.6 | Very high | 95.1 | Very high | 25 Ų | 25 | 66.8 Ų | 66.8 | 13% | 0.131 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -113.3 | 7.8 | 180 | -74.6 | 166.1 | 0 | 0 | 0 | 113.3 | V536 L540 T562 E577 A578 D582 E583 A584 | V536-L580 HydrophobicContact CB-CB 4.4Å; V536-L580 HydrophobicContact CB-CD1 4Å; V536-L580 HydrophobicContact CG1-CB 4.36Å; V536-L580 HydrophobicContact CG1-CD1 4.22Å; L540-L580 HydrophobicContact CD2-CD2 4.18Å; T562-L580 HydrophobicContact CG2-CB 4.49Å; E577-L580 HydrophobicContact CB-CB 4.16Å; E577-L580 HydrophobicContact CB-CD1 4.1Å; E577-L580 PolarHBondContact O-N 2.71Å; A578-L580 PolarHBondContact O-N 3.03Å; A578-L580 VanDerWaalsContact O-N 3.14Å; L580-D582 VanDerWaalsContact C-N 3.26Å; L580-D582 PolarHBondContact O-N 2.89Å; L580-E583 HydrophobicContact CD2-CB 4.12Å; L580-E583 HydrophobicContact CD2-CG 3.83Å; L580-E583 PolarHBondContact O-N 3.15Å; L580-A584 PolarHBondContact O-N 3.2Å |
| 581 | V | 96.5 | Very high | 94.6 | Very high | 22 Ų | 22 | 62.4 Ų | 62.4 | 13% | 0.133 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.4 | -39.5 | 175.2 | 165.6 | 0 | 0 | 0 | 0 | 111.4 | T562 A565 A566 Y576 A578 A584 K585 | T562-V581 HydrophobicContact CG2-CG2 4.34Å; A565-V581 HydrophobicContact CB-CG2 4.31Å; A566-V581 HydrophobicContact CB-CG1 4.12Å; Y576-V581 HydrophobicContact CE2-CG2 4.43Å; A578-V581 WeakPolarHBondContact O-CB 3.08Å; A578-V581 WeakPolarHBondContact O-CG2 3.26Å; A578-V581 PolarHBondContact O-N 3.27Å; V581-A584 PolarHBondContact O-N 2.7Å; V581-K585 HydrophobicContact CG1-CD 4.46Å; V581-K585 WeakPolarHBondContact O-CG 3.32Å; V581-K585 PolarHBondContact O-N 3.03Å |
| 582 | D | 94.9 | Very high | 94.4 | Very high | 118 Ų | 118 | 66.7 Ų | 66.7 | 63% | 0.631 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -68.6 | -36.1 | 179.3 | -69.8 | -24.1 | 0 | 0 | 0 | 112.3 | L580 K585 R586 | L580-D582 VanDerWaalsContact C-N 3.26Å; L580-D582 PolarHBondContact O-N 2.89Å; D582-K585 PolarHBondContact O-N 3.37Å; D582-R586 PolarHBondContact O-N 3.37Å |
| 583 | E | 93.8 | Very high | 94.4 | Very high | 66 Ų | 66 | 66.1 Ų | 66.1 | 31% | 0.308 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.1 | -40 | 173.5 | -67.8 | -58.1 | 144.8 | 0 | 0 | 111.7 | L540 L580 R586 L587 | L540-E583 HydrophobicContact CD1-CB 4.22Å; L580-E583 HydrophobicContact CD2-CB 4.12Å; L580-E583 HydrophobicContact CD2-CG 3.83Å; L580-E583 PolarHBondContact O-N 3.15Å; E583-R586 WeakPolarHBondContact O-CB 3.46Å; E583-R586 PolarHBondContact O-N 2.98Å; E583-R586 IonicContact OE2-CZ 3.2Å; E583-R586 IonicContact OE2-NE 2.79Å; E583-R586 PolarHBondContact OE2-NE 3.26Å; E583-R586 IonicContact OE2-NH2 2.74Å; E583-R586 PolarHBondContact OE2-NH2 3.39Å; E583-L587 PolarHBondContact O-N 3.33Å |
| 584 | A | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T562 F563 A566 L580 V581 R586 L587 L588 | T562-A584 HydrophobicContact CG2-CB 4.32Å; F563-A584 HydrophobicContact CD1-CB 4.04Å; F563-A584 HydrophobicContact CD2-CB 3.81Å; F563-A584 HydrophobicContact CE1-CB 4.01Å; F563-A584 WeakPolarHBondContact CE1-O 3.39Å; F563-A584 HydrophobicContact CE2-CB 3.81Å; F563-A584 HydrophobicContact CG-CB 3.95Å; F563-A584 HydrophobicContact CZ-CB 3.91Å; A566-A584 HydrophobicContact CB-CB 3.79Å; L580-A584 PolarHBondContact O-N 3.2Å; V581-A584 PolarHBondContact O-N 2.7Å; A584-R586 VanDerWaalsContact C-N 3.35Å; A584-R586 PolarHBondContact O-N 3.35Å; A584-L587 PolarHBondContact O-N 3.03Å; A584-L588 WeakPolarHBondContact O-CG 3.4Å; A584-L588 PolarHBondContact O-N 3.17Å |
| 585 | K | 95.5 | Very high | 94.3 | Very high | 95 Ų | 95 | 60.7 Ų | 60.7 | 41% | 0.413 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 172.7 | -74.1 | 179.9 | -177.4 | 164.9 | 0 | 112.2 | A566 V581 D582 L587 L588 T589 | A566-K585 HydrophobicContact CB-CG 3.72Å; A566-K585 WeakPolarHBondContact O-CE 3.45Å; A566-K585 WeakPolarHBondContact O-CG 3.43Å; V581-K585 HydrophobicContact CG1-CD 4.46Å; V581-K585 WeakPolarHBondContact O-CG 3.32Å; V581-K585 PolarHBondContact O-N 3.03Å; D582-K585 PolarHBondContact O-N 3.37Å; K585-L587 VanDerWaalsContact C-N 3.34Å; K585-L587 PolarHBondContact O-N 3Å; K585-L588 PolarHBondContact O-N 2.85Å; K585-T589 PolarHBondContact O-N 3.25Å; K585-T589 PolarHBondContact O-OG1 3.46Å |
| 586 | R | 94.7 | Very high | 94.4 | Very high | 88 Ų | 88 | 56.4 Ų | 56.4 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 175.5 | -179 | -175.2 | 61.1 | 77.2 | -4.7 | 111 | D544 D582 E583 A584 T589 T590 | D544-R586 IonicContact OD1-CZ 3.33Å; D544-R586 IonicContact OD1-NH1 2.98Å; D544-R586 PolarHBondContact OD1-NH1 2.8Å; D544-R586 IonicContact OD1-NH2 2.75Å; D544-R586 PolarHBondContact OD1-NH2 2.81Å; D544-R586 IonicContact OD2-NH2 3.35Å; D544-R586 PolarHBondContact OD2-NH2 2.94Å; D582-R586 PolarHBondContact O-N 3.37Å; E583-R586 WeakPolarHBondContact O-CB 3.46Å; E583-R586 PolarHBondContact O-N 2.98Å; E583-R586 IonicContact OE2-CZ 3.2Å; E583-R586 IonicContact OE2-NE 2.79Å; E583-R586 PolarHBondContact OE2-NE 3.26Å; E583-R586 IonicContact OE2-NH2 2.74Å; E583-R586 PolarHBondContact OE2-NH2 3.39Å; A584-R586 VanDerWaalsContact C-N 3.35Å; A584-R586 PolarHBondContact O-N 3.35Å; R586-T589 PolarHBondContact O-N 3.41Å; R586-T589 PolarHBondContact O-OG1 3.07Å; R586-T590 WeakPolarHBondContact O-CG2 3.32Å; R586-T590 PolarHBondContact O-N 3.02Å; R586-T590 PolarHBondContact O-OG1 2.93Å |
| 587 | L | 93.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66 | -39.9 | 178.6 | -74 | 167.7 | 0 | 0 | 0 | 112.4 | L540 L543 F563 E583 A584 K585 T589 T590 C591 I593 | L540-L587 HydrophobicContact CD1-CD1 4.45Å; L543-L587 HydrophobicContact CB-CD1 3.95Å; L543-L587 HydrophobicContact CD1-CD1 4.42Å; F563-L587 HydrophobicContact CE1-CB 3.96Å; F563-L587 HydrophobicContact CZ-CB 3.98Å; F563-L587 HydrophobicContact CZ-CD1 3.91Å; E583-L587 PolarHBondContact O-N 3.33Å; A584-L587 PolarHBondContact O-N 3.03Å; K585-L587 VanDerWaalsContact C-N 3.34Å; K585-L587 PolarHBondContact O-N 3Å; L587-T589 PolarHBondContact O-N 2.97Å; L587-T590 WeakPolarHBondContact CA-OG1 3.41Å; L587-T590 PolarHBondContact O-N 2.99Å; L587-T590 VanDerWaalsContact O-N 3.14Å; L587-T590 PolarHBondContact O-OG1 2.85Å; L587-C591 PolarHBondContact O-N 2.85Å; L587-I593 HydrophobicContact CB-CD1 3.85Å |
| 588 | L | 93.9 | Very high | 94.5 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 23% | 0.225 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.5 | -30.4 | 175.4 | -80.4 | 164.1 | 0 | 0 | 0 | 113.9 | F563 A566 Q567 A584 K585 I593 V595 | F563-L588 HydrophobicContact CD1-CD1 3.93Å; F563-L588 HydrophobicContact CD1-CD2 4.06Å; F563-L588 HydrophobicContact CD1-CG 3.68Å; F563-L588 HydrophobicContact CE1-CG 4.01Å; A566-L588 HydrophobicContact CB-CD1 4.18Å; Q567-L588 HydrophobicContact CG-CD1 3.9Å; A584-L588 WeakPolarHBondContact O-CG 3.4Å; A584-L588 PolarHBondContact O-N 3.17Å; K585-L588 PolarHBondContact O-N 2.85Å; L588-I593 HydrophobicContact CD2-CB 4Å; L588-I593 HydrophobicContact CD2-CG2 4.21Å; L588-V595 HydrophobicContact CD2-CG2 3.65Å |
| 589 | T | 89.9 | Confident | 94.6 | Very high | 118 Ų | 118 | 50.9 Ų | 50.9 | 72% | 0.724 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -87.1 | -14 | 179.7 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | K585 R586 L587 | K585-T589 PolarHBondContact O-N 3.25Å; K585-T589 PolarHBondContact O-OG1 3.46Å; R586-T589 PolarHBondContact O-N 3.41Å; R586-T589 PolarHBondContact O-OG1 3.07Å; L587-T589 PolarHBondContact O-N 2.97Å |
| 590 | T | 82.5 | Confident | 94.8 | Very high | 91 Ų | 91 | 44.4 Ų | 44.4 | 56% | 0.558 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -112.1 | -16.6 | -173.8 | 51 | 0 | 0 | 0 | 0 | 113.7 | R586 L587 | R586-T590 WeakPolarHBondContact O-CG2 3.32Å; R586-T590 PolarHBondContact O-N 3.02Å; R586-T590 PolarHBondContact O-OG1 2.93Å; L587-T590 WeakPolarHBondContact CA-OG1 3.41Å; L587-T590 PolarHBondContact O-N 2.99Å; L587-T590 VanDerWaalsContact O-N 3.14Å; L587-T590 PolarHBondContact O-OG1 2.85Å |
| 591 | C | 86.7 | Confident | 94.9 | Very high | 16 Ų | 16 | 43.3 Ų | 43.3 | 11% | 0.108 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -141.3 | 151.9 | -179.4 | -172.1 | 0 | 0 | 0 | 0 | 110.5 | L587 I593 | L587-C591 PolarHBondContact O-N 2.85Å; C591-I593 HydrophobicContact CB-CD1 4.35Å; C591-I593 HydrophobicContact CB-CG1 4.25Å; C591-I593 PolarHBondContact O-N 3.17Å |
| 592 | N | 94.6 | Very high | 95 | Very high | 95 Ų | 95 | 42.4 Ų | 42.4 | 51% | 0.508 | 23% | 0.227 | S | C | . | . | trans | -77.5 | 103.6 | 174.4 | -173.5 | -15.3 | 0 | 0 | 0 | 109.7 | Q552 L553 | Q552-N592 VanDerWaalsContact CA-O 3.32Å; Q552-N592 WeakPolarHBondContact CA-O 3.28Å; Q552-N592 HydrophobicContact CG-CB 4.18Å; L553-N592 PolarHBondContact N-O 2.84Å | ||
| 593 | I | 97.3 | Very high | 95.1 | Very high | 13 Ų | 13 | 41 Ų | 41 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | trans | -118.6 | 105.2 | -177.4 | -63 | 172.8 | 0 | 0 | 0 | 108.7 | L553 V555 F563 L587 L588 C591 V595 | L553-I593 HydrophobicContact CB-CG1 4.03Å; L553-I593 HydrophobicContact CD2-CD1 4.17Å; L553-I593 HydrophobicContact CD2-CG1 4.36Å; L553-I593 HydrophobicContact CG-CG1 4.38Å; L553-I593 WeakPolarHBondContact O-CA 3.41Å; L553-I593 WeakPolarHBondContact O-CG2 3.35Å; V555-I593 HydrophobicContact CG1-CG2 4.17Å; V555-I593 HydrophobicContact CG2-CG2 3.93Å; F563-I593 HydrophobicContact CD1-CD1 4.43Å; F563-I593 HydrophobicContact CD1-CG2 4.01Å; F563-I593 HydrophobicContact CE1-CD1 3.59Å; F563-I593 HydrophobicContact CE1-CG2 4.14Å; F563-I593 HydrophobicContact CZ-CD1 4.2Å; L587-I593 HydrophobicContact CB-CD1 3.85Å; L588-I593 HydrophobicContact CD2-CB 4Å; L588-I593 HydrophobicContact CD2-CG2 4.21Å; C591-I593 HydrophobicContact CB-CD1 4.35Å; C591-I593 HydrophobicContact CB-CG1 4.25Å; C591-I593 PolarHBondContact O-N 3.17Å; I593-V595 HydrophobicContact CG2-CG2 4.32Å; I593-V595 PolarHBondContact O-N 3.12Å | ||
| 594 | P | 96.3 | Very high | 95.2 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | trans | -64.1 | 121.6 | 170.3 | -17.5 | 30.1 | 0 | 0 | 0 | 109.8 | I554 L636 I639 | I554-P594 HydrophobicContact CG1-CG 4.46Å; P594-L636 HydrophobicContact CB-CD2 4.05Å; P594-L636 HydrophobicContact CG-CD2 4.5Å; P594-I639 HydrophobicContact CB-CD1 4.25Å; P594-I639 HydrophobicContact CG-CD1 3.6Å | ||
| 595 | V | 97.1 | Very high | 95.2 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 11% | 0.109 | 26% | 0.256 | C | S | . | . | trans | -105.2 | 137.1 | 176 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | F563 I564 Q567 L588 I593 S597 | F563-V595 HydrophobicContact CB-CG2 4.25Å; I564-V595 HydrophobicContact CB-CG1 4.42Å; I564-V595 HydrophobicContact CG1-CG1 3.59Å; Q567-V595 VanDerWaalsContact OE1-CG1 3.27Å; L588-V595 HydrophobicContact CD2-CG2 3.65Å; I593-V595 HydrophobicContact CG2-CG2 4.32Å; I593-V595 PolarHBondContact O-N 3.12Å; V595-S597 PolarHBondContact O-N 2.85Å | ||
| 596 | P | 98.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 7% | 0.065 | 25% | 0.245 | C | C | . | . | trans | -52.9 | 133.4 | -178.1 | -28.1 | 35.7 | 0 | 0 | 0 | 113 | A560 I564 V599 V616 I628 S632 | A560-P596 HydrophobicContact CB-CG 4.41Å; I564-P596 HydrophobicContact CD1-CB 4.21Å; I564-P596 HydrophobicContact CD1-CG 4.18Å; P596-V599 HydrophobicContact CB-CG1 4.12Å; P596-V616 WeakPolarHBondContact O-CG1 3.37Å; P596-I628 HydrophobicContact CB-CG2 4.24Å; P596-I628 HydrophobicContact CG-CG2 3.75Å; P596-S632 WeakPolarHBondContact CA-OG 3.46Å | ||
| 597 | S | 97.7 | Very high | 95.2 | Very high | 55 Ų | 55 | 47.7 Ų | 47.7 | 39% | 0.385 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -92.8 | -23.9 | 174.3 | 60.6 | 0 | 0 | 0 | 0 | 112.4 | V595 S615 V616 S632 | V595-S597 PolarHBondContact O-N 2.85Å; S597-S615 PolarHBondContact O-OG 3.04Å; S597-V616 PolarHBondContact O-N 3.14Å; S597-V616 VanDerWaalsContact O-N 3.13Å; S597-S632 PolarHBondContact N-OG 2.8Å; S597-S632 PolarHBondContact OG-OG 2.77Å |
| 598 | D | 98.6 | Very high | 95.2 | Very high | 18 Ų | 18 | 52.7 Ų | 52.7 | 10% | 0.096 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 153.5 | 174.4 | 69.7 | -25.3 | 0 | 0 | 0 | 110.9 | L613 K614 G629 D630 A631 S632 | D598-L613 HydrophobicContact CB-CD1 4.46Å; D598-K614 CarbonylContact C-O 3.48Å; D598-K614 WeakPolarHBondContact CA-O 3.48Å; D598-K614 WeakPolarHBondContact CB-O 3.46Å; D598-G629 WeakPolarHBondContact O-CA 3.42Å; D598-G629 PolarHBondContact O-N 2.89Å; D598-G629 WeakPolarHBondContact OD1-CA 3.38Å; D598-G629 VanDerWaalsContact OD2-C 3.25Å; D598-G629 VanDerWaalsContact OD2-CA 3.31Å; D598-G629 WeakPolarHBondContact OD2-CA 3.39Å; D598-D630 PolarHBondContact OD2-N 3.31Å; D598-A631 PolarHBondContact OD1-N 2.81Å; D598-A631 PolarHBondContact OD2-N 2.82Å; D598-S632 PolarHBondContact N-OG 3.25Å; D598-S632 VanDerWaalsContact N-OG 3.16Å; D598-S632 PolarHBondContact O-OG 2.91Å; D598-S632 VanDerWaalsContact OD1-CB 3.25Å; D598-S632 WeakPolarHBondContact OD1-CB 3.5Å; D598-S632 PolarHBondContact OD1-N 2.73Å; D598-S632 PolarHBondContact OD1-OG 3.37Å |
| 599 | V | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 155.7 | -169.8 | -73 | 0 | 0 | 0 | 0 | 111.1 | I564 P596 V601 K614 V616 V619 I625 | I564-V599 HydrophobicContact CD1-CG1 4.16Å; P596-V599 HydrophobicContact CB-CG1 4.12Å; V599-V601 HydrophobicContact CG2-CG1 4.14Å; V599-K614 PolarHBondContact N-O 2.82Å; V599-K614 PolarHBondContact O-N 2.97Å; V599-V616 HydrophobicContact CG1-CG1 3.74Å; V599-V616 HydrophobicContact CG2-CG1 4.18Å; V599-V619 HydrophobicContact CG2-CG2 3.85Å; V599-I625 HydrophobicContact CB-CD1 4.46Å; V599-I625 HydrophobicContact CB-CG1 4.09Å; V599-I625 HydrophobicContact CB-CG2 3.86Å; V599-I625 HydrophobicContact CG1-CD1 4.16Å; V599-I625 HydrophobicContact CG1-CG1 4.26Å; V599-I625 HydrophobicContact CG1-CG2 3.74Å; V599-I625 HydrophobicContact CG2-CD1 4.27Å; V599-I625 HydrophobicContact CG2-CG1 4Å |
| 600 | R | 98.7 | Very high | 95.7 | Very high | 28 Ų | 28 | 49.1 Ų | 49.1 | 11% | 0.106 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 120.4 | 169.2 | -71.7 | 176.5 | 167.5 | 85.8 | 2.4 | 109.5 | A611 T612 L613 L626 D627 I628 D630 F660 | R600-A611 HydrophobicContact CB-CB 4.42Å; R600-T612 WeakPolarHBondContact CA-O 3.27Å; R600-L613 HydrophobicContact CG-CD1 4.29Å; R600-L626 PolarHBondContact O-N 3.46Å; R600-D627 HydrophobicContact CB-CB 4.11Å; R600-D627 PolarHBondContact N-O 3.01Å; R600-D627 PolarHBondContact O-N 2.82Å; R600-I628 PolarHBondContact NH1-O 3.02Å; R600-D630 IonicContact CZ-OD1 3.49Å; R600-D630 IonicContact NH1-OD1 3.35Å; R600-D630 PolarHBondContact NH1-OD1 2.84Å; R600-D630 IonicContact NH2-OD1 2.7Å; R600-D630 PolarHBondContact NH2-OD1 2.89Å; R600-D630 IonicContact NH2-OD2 3.02Å; R600-D630 PolarHBondContact NH2-OD2 2.97Å; R600-F660 HydrophobicContact CB-CD1 4.13Å; R600-F660 HydrophobicContact CB-CE1 4.27Å |
| 601 | V | 98.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 155.4 | -178 | -61.2 | 0 | 0 | 0 | 0 | 112.6 | V599 T612 K614 V619 E623 Q624 I625 | V599-V601 HydrophobicContact CG2-CG1 4.14Å; V601-T612 PolarHBondContact N-O 2.99Å; V601-T612 PolarHBondContact O-N 2.98Å; V601-K614 HydrophobicContact CG2-CD 3.98Å; V601-K614 HydrophobicContact CG2-CG 4.32Å; V601-V619 HydrophobicContact CG1-CG1 4.29Å; V601-V619 HydrophobicContact CG1-CG2 4.24Å; V601-E623 HydrophobicContact CB-CB 4.06Å; V601-E623 HydrophobicContact CB-CG 4.47Å; V601-E623 HydrophobicContact CG1-CB 4.47Å; V601-E623 HydrophobicContact CG2-CB 4.28Å; V601-E623 HydrophobicContact CG2-CG 4.19Å; V601-Q624 CarbonylContact C-O 3.57Å; V601-Q624 VanDerWaalsContact CA-O 3.24Å; V601-Q624 WeakPolarHBondContact CA-O 3.34Å; V601-I625 HydrophobicContact CG1-CG1 3.9Å |
| 602 | A | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 162.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | E604 A609 E623 Q624 L626 F660 | A602-E604 WeakPolarHBondContact CB-O 3.32Å; A602-A609 HydrophobicContact CB-CB 4.13Å; A602-E623 CarbonylContact O-C 3.59Å; A602-E623 WeakPolarHBondContact O-CA 3.33Å; A602-Q624 HydrophobicContact CB-CG 4.48Å; A602-Q624 PolarHBondContact N-O 3.05Å; A602-Q624 PolarHBondContact O-N 3.32Å; A602-L626 HydrophobicContact CB-CD1 3.69Å; A602-L626 HydrophobicContact CB-CG 4.47Å; A602-F660 HydrophobicContact CB-CE1 4.27Å; A602-F660 HydrophobicContact CB-CE2 4.36Å; A602-F660 HydrophobicContact CB-CZ 3.64Å |
| 603 | T | 97.4 | Very high | 97.2 | Very high | 89 Ų | 89 | 48.7 Ų | 48.7 | 55% | 0.546 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -94.8 | -10.4 | 171.7 | 54.2 | 0 | 0 | 0 | 0 | 113 | E623 | T603-E623 HydrophobicContact CG2-CG 4.4Š|
| 604 | E | 95.3 | Very high | 97.2 | Very high | 95 Ų | 95 | 49.8 Ų | 49.8 | 44% | 0.444 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -144.4 | 158.8 | 178 | 61.3 | 169.5 | -153.6 | 0 | 0 | 111.2 | A602 S606 A609 | A602-E604 WeakPolarHBondContact CB-O 3.32Å; E604-S606 PolarHBondContact OE1-OG 3Å; E604-A609 HydrophobicContact CG-CB 3.85Å |
| 605 | F | 96 | Very high | 97.3 | Very high | 129 Ų | 129 | 51.1 Ų | 51.1 | 57% | 0.566 | 29% | 0.287 | S | S | * | . | trans | -99.4 | 83.3 | 178.2 | -168.3 | -92.2 | 0 | 0 | 0 | 109.7 | L626 V654 F657 | F605-L626 HydrophobicContact CD2-CD1 4.34Å; F605-L626 HydrophobicContact CD2-CD2 3.71Å; F605-L626 HydrophobicContact CE2-CD2 3.86Å; F605-V654 HydrophobicContact CE2-CG1 4.3Å; F605-V654 HydrophobicContact CE2-CG2 4.11Å; F605-V654 HydrophobicContact CZ-CG1 4.08Å; F605-F657 HydrophobicContact CD1-CE2 4.04Å; F605-F657 HydrophobicContact CD1-CZ 4.04Å; F605-F657 HydrophobicContact CD2-CE2 4.3Å; F605-F657 AromaticContact CE1-CE2 3.81Å; F605-F657 HydrophobicContact CE1-CE2 3.81Å; F605-F657 AromaticContact CE1-CZ 3.68Å; F605-F657 HydrophobicContact CE1-CZ 3.68Å; F605-F657 HydrophobicContact CE2-CE2 4.09Å; F605-F657 HydrophobicContact CG-CE2 4.28Å; F605-F657 AromaticContact CZ-CE2 3.83Å; F605-F657 HydrophobicContact CZ-CE2 3.83Å; F605-F657 HydrophobicContact CZ-CZ 4.06Å | ||
| 606 | S | 95.3 | Very high | 97.3 | Very high | 26 Ų | 26 | 50.5 Ų | 50.5 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -144.3 | 155.3 | -178.9 | 80.3 | 0 | 0 | 0 | 0 | 111.5 | E604 T608 A609 | E604-S606 PolarHBondContact OE1-OG 3Å; S606-T608 PolarHBondContact O-N 3.26Å; S606-T608 PolarHBondContact OG-N 3.06Å; S606-T608 PolarHBondContact OG-OG1 3.35Å; S606-T608 VanDerWaalsContact OG-OG1 3.11Å; S606-A609 WeakPolarHBondContact O-CB 3.34Å; S606-A609 PolarHBondContact O-N 3.23Å; S606-A609 WeakPolarHBondContact OG-CB 3.39Å; S606-A609 PolarHBondContact OG-N 2.75Å |
| 607 | E | 93.9 | Very high | 97.3 | Very high | 139 Ų | 139 | 55.2 Ų | 55.2 | 65% | 0.65 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -20.8 | 174.8 | 66.5 | -177.4 | 161.9 | 0 | 0 | 113.1 | F657 | E607-F657 HydrophobicContact CB-CD1 3.68Å; E607-F657 HydrophobicContact CB-CE1 4.03Å; E607-F657 HydrophobicContact CB-CG 4.41Å |
| 608 | T | 94.6 | Very high | 97.3 | Very high | 105 Ų | 105 | 57.6 Ų | 57.6 | 64% | 0.644 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -8 | 178.7 | 51.9 | 0 | 0 | 0 | 0 | 113.6 | S606 | S606-T608 PolarHBondContact O-N 3.26Å; S606-T608 PolarHBondContact OG-N 3.06Å; S606-T608 PolarHBondContact OG-OG1 3.35Å; S606-T608 VanDerWaalsContact OG-OG1 3.11Å |
| 609 | A | 96.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 130.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A602 E604 S606 N659 F660 | A602-A609 HydrophobicContact CB-CB 4.13Å; E604-A609 HydrophobicContact CG-CB 3.85Å; S606-A609 WeakPolarHBondContact O-CB 3.34Å; S606-A609 PolarHBondContact O-N 3.23Å; S606-A609 WeakPolarHBondContact OG-CB 3.39Å; S606-A609 PolarHBondContact OG-N 2.75Å; A609-N659 PolarHBondContact O-ND2 2.6Å; A609-F660 HydrophobicContact CB-CE2 4.17Å |
| 610 | P | 97 | Very high | 97.2 | Very high | 87 Ų | 87 | 63.1 Ų | 63.1 | 57% | 0.565 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 137.7 | 176.3 | 29.3 | -33.7 | 0 | 0 | 0 | 110.6 | ||
| 611 | A | 98.1 | Very high | 97.2 | Very high | 40 Ų | 40 | 65.5 Ų | 65.5 | 33% | 0.331 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -88.5 | 129.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | R600 N659 F660 | R600-A611 HydrophobicContact CB-CB 4.42Å; A611-N659 HydrophobicContact CB-CB 4.11Å; A611-N659 WeakPolarHBondContact CB-O 3.42Å; A611-F660 HydrophobicContact CB-CD1 4.08Å; A611-F660 HydrophobicContact CB-CE1 3.47Å; A611-F660 VanDerWaalsContact CB-CE1 3.47Å; A611-F660 HydrophobicContact CB-CZ 3.78Å |
| 612 | T | 98.3 | Very high | 97.1 | Very high | 71 Ų | 71 | 69.3 Ų | 69.3 | 44% | 0.436 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 122.6 | 170.4 | -53.9 | 0 | 0 | 0 | 0 | 109.4 | R600 V601 K614 | R600-T612 WeakPolarHBondContact CA-O 3.27Å; V601-T612 PolarHBondContact N-O 2.99Å; V601-T612 PolarHBondContact O-N 2.98Å; T612-K614 HydrophobicContact CG2-CG 4.17Å |
| 613 | L | 98.7 | Very high | 97.1 | Very high | 82 Ų | 82 | 69.8 Ų | 69.8 | 43% | 0.429 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 130.4 | 174.8 | -179.3 | 67.3 | 0 | 0 | 0 | 110.3 | D598 R600 G629 | D598-L613 HydrophobicContact CB-CD1 4.46Å; R600-L613 HydrophobicContact CG-CD1 4.29Å; L613-G629 VanDerWaalsContact CD1-CA 3.41Å |
| 614 | K | 98.3 | Very high | 97.2 | Very high | 36 Ų | 36 | 67 Ų | 67 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 158.9 | -179.9 | -66.8 | -166.8 | 178.4 | -176.8 | 0 | 112.5 | D598 V599 V601 T612 D618 E623 | D598-K614 CarbonylContact C-O 3.48Å; D598-K614 WeakPolarHBondContact CA-O 3.48Å; D598-K614 WeakPolarHBondContact CB-O 3.46Å; V599-K614 PolarHBondContact N-O 2.82Å; V599-K614 PolarHBondContact O-N 2.97Å; V601-K614 HydrophobicContact CG2-CD 3.98Å; V601-K614 HydrophobicContact CG2-CG 4.32Å; T612-K614 HydrophobicContact CG2-CG 4.17Å; K614-D618 HydrophobicContact CD-CB 4.39Å; K614-D618 WeakPolarHBondContact CD-O 3.47Å; K614-D618 PolarHBondContact NZ-O 3.48Å; K614-D618 VanDerWaalsContact NZ-O 3.16Å; K614-E623 WeakPolarHBondContact CE-OE1 3.49Å; K614-E623 IonicContact NZ-OE1 2.64Å; K614-E623 PolarHBondContact NZ-OE1 3.2Å; K614-E623 IonicContact NZ-OE2 2.64Å; K614-E623 PolarHBondContact NZ-OE2 2.67Å |
| 615 | S | 98.4 | Very high | 97.3 | Very high | 41 Ų | 41 | 63.1 Ų | 63.1 | 29% | 0.287 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 151 | 161.6 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | S597 N617 D618 | S597-S615 PolarHBondContact O-OG 3.04Å; S615-N617 PolarHBondContact O-N 3.01Å; S615-N617 VanDerWaalsContact O-N 3.08Å; S615-N617 PolarHBondContact OG-N 3.09Å; S615-N617 PolarHBondContact OG-ND2 3.22Å; S615-D618 PolarHBondContact O-N 2.67Å |
| 616 | V | 97.5 | Very high | 97.4 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.03 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -58.6 | -18.5 | 172.3 | -67.7 | 0 | 0 | 0 | 0 | 113.7 | I564 P596 S597 V599 D618 | I564-V616 HydrophobicContact CD1-CG1 4.17Å; I564-V616 HydrophobicContact CG2-CB 4.29Å; I564-V616 HydrophobicContact CG2-CG1 4.31Å; P596-V616 WeakPolarHBondContact O-CG1 3.37Å; S597-V616 PolarHBondContact O-N 3.14Å; S597-V616 VanDerWaalsContact O-N 3.13Å; V599-V616 HydrophobicContact CG1-CG1 3.74Å; V599-V616 HydrophobicContact CG2-CG1 4.18Å; V616-D618 VanDerWaalsContact C-N 3.34Å |
| 617 | N | 97.4 | Very high | 97.6 | Very high | 109 Ų | 109 | 56.4 Ų | 56.4 | 58% | 0.583 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -77.8 | -15.4 | 176.2 | -62.2 | -53.7 | 0 | 0 | 0 | 114.2 | H569 S615 | H569-N617 PolarHBondContact CE1-OD1 2.85Å; H569-N617 PolarHBondContact ND1-OD1 3.26Å; S615-N617 PolarHBondContact O-N 3.01Å; S615-N617 VanDerWaalsContact O-N 3.08Å; S615-N617 PolarHBondContact OG-N 3.09Å; S615-N617 PolarHBondContact OG-ND2 3.22Å |
| 618 | D | 98 | Very high | 97.8 | Very high | 105 Ų | 105 | 50 Ų | 50 | 56% | 0.561 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -113.6 | 13.9 | -169.6 | -60.6 | -53 | 0 | 0 | 0 | 113.4 | K614 S615 V616 K620 | K614-D618 HydrophobicContact CD-CB 4.39Å; K614-D618 WeakPolarHBondContact CD-O 3.47Å; K614-D618 PolarHBondContact NZ-O 3.48Å; K614-D618 VanDerWaalsContact NZ-O 3.16Å; S615-D618 PolarHBondContact O-N 2.67Å; V616-D618 VanDerWaalsContact C-N 3.34Å; D618-K620 PolarHBondContact O-N 2.86Å |
| 619 | V | 98.2 | Very high | 98 | Very high | 13 Ų | 13 | 45 Ų | 45 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | trans | -69.7 | 125.3 | 176.6 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | V599 V601 E623 I625 | V599-V619 HydrophobicContact CG2-CG2 3.85Å; V601-V619 HydrophobicContact CG1-CG1 4.29Å; V601-V619 HydrophobicContact CG1-CG2 4.24Å; V619-E623 HydrophobicContact CG1-CB 4.32Å; V619-I625 HydrophobicContact CG1-CG1 4.5Å; V619-I625 HydrophobicContact CG2-CD1 4.27Å; V619-I625 HydrophobicContact CG2-CG1 4.34Å | ||
| 620 | K | 97.7 | Very high | 98.1 | Very high | 121 Ų | 121 | 48 Ų | 48 | 53% | 0.526 | 28% | 0.275 | S | S | . | . | trans | -85.8 | 158.2 | -179.7 | -61.9 | 178.1 | -176.2 | 167.8 | 0 | 111.6 | G572 D618 D622 E623 | G572-K620 WeakPolarHBondContact CA-O 3.47Å; D618-K620 PolarHBondContact O-N 2.86Å; K620-D622 WeakPolarHBondContact CB-OD1 3.31Å; K620-D622 PolarHBondContact O-N 3.21Å; K620-D622 VanDerWaalsContact O-N 3.09Å; K620-E623 HydrophobicContact CB-CB 4.41Å; K620-E623 HydrophobicContact CB-CG 3.99Å; K620-E623 WeakPolarHBondContact CD-OE1 3.25Å; K620-E623 PolarHBondContact N-OE2 3.34Å; K620-E623 WeakPolarHBondContact O-CB 3.4Å; K620-E623 PolarHBondContact O-N 3.49Å | ||
| 621 | A | 97.1 | Very high | 98.2 | Very high | 79 Ų | 79 | 46.5 Ų | 46.5 | 65% | 0.653 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -23.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 622 | D | 97.7 | Very high | 98.2 | Very high | 80 Ų | 80 | 44.8 Ų | 44.8 | 43% | 0.428 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 1.5 | 178 | 66.6 | -41.4 | 0 | 0 | 0 | 114.1 | K620 | K620-D622 WeakPolarHBondContact CB-OD1 3.31Å; K620-D622 PolarHBondContact O-N 3.21Å; K620-D622 VanDerWaalsContact O-N 3.09Å |
| 623 | E | 98.3 | Very high | 98.2 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | trans | -100.7 | 149.2 | -177.3 | -72.8 | 170.7 | 173.9 | 0 | 0 | 112 | K573 V601 A602 T603 K614 V619 K620 | K573-E623 PolarHBondContact N-O 3.01Å; V601-E623 HydrophobicContact CB-CB 4.06Å; V601-E623 HydrophobicContact CB-CG 4.47Å; V601-E623 HydrophobicContact CG1-CB 4.47Å; V601-E623 HydrophobicContact CG2-CB 4.28Å; V601-E623 HydrophobicContact CG2-CG 4.19Å; A602-E623 CarbonylContact O-C 3.59Å; A602-E623 WeakPolarHBondContact O-CA 3.33Å; T603-E623 HydrophobicContact CG2-CG 4.4Å; K614-E623 WeakPolarHBondContact CE-OE1 3.49Å; K614-E623 IonicContact NZ-OE1 2.64Å; K614-E623 PolarHBondContact NZ-OE1 3.2Å; K614-E623 IonicContact NZ-OE2 2.64Å; K614-E623 PolarHBondContact NZ-OE2 2.67Å; V619-E623 HydrophobicContact CG1-CB 4.32Å; K620-E623 HydrophobicContact CB-CB 4.41Å; K620-E623 HydrophobicContact CB-CG 3.99Å; K620-E623 WeakPolarHBondContact CD-OE1 3.25Å; K620-E623 PolarHBondContact N-OE2 3.34Å; K620-E623 WeakPolarHBondContact O-CB 3.4Å; K620-E623 PolarHBondContact O-N 3.49Å | ||
| 624 | Q | 98.3 | Very high | 98.2 | Very high | 32 Ų | 32 | 42.5 Ų | 42.5 | 15% | 0.15 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.1 | 174.7 | 63.1 | -170 | -72.3 | 0 | 0 | 110.5 | K573 V601 A602 L626 | K573-Q624 HydrophobicContact CB-CB 4.37Å; V601-Q624 CarbonylContact C-O 3.57Å; V601-Q624 VanDerWaalsContact CA-O 3.24Å; V601-Q624 WeakPolarHBondContact CA-O 3.34Å; A602-Q624 HydrophobicContact CB-CG 4.48Å; A602-Q624 PolarHBondContact N-O 3.05Å; A602-Q624 PolarHBondContact O-N 3.32Å; Q624-L626 HydrophobicContact CG-CD1 4.29Å; Q624-L626 HydrophobicContact CG-CD2 3.97Å; Q624-L626 HydrophobicContact CG-CG 4.05Å |
| 625 | I | 98.7 | Very high | 98.2 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.062 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 120.7 | 176 | -62.4 | 162.3 | 0 | 0 | 0 | 108.6 | N561 I564 V571 S574 V599 V601 V619 | N561-I625 WeakPolarHBondContact OD1-CG2 3.48Å; I564-I625 HydrophobicContact CD1-CD1 4.12Å; V571-I625 HydrophobicContact CB-CD1 4.38Å; V571-I625 HydrophobicContact CG1-CD1 4.27Å; S574-I625 WeakPolarHBondContact OG-CB 3.21Å; S574-I625 WeakPolarHBondContact OG-CG1 3.27Å; S574-I625 PolarHBondContact OG-N 3Å; V599-I625 HydrophobicContact CB-CD1 4.46Å; V599-I625 HydrophobicContact CB-CG1 4.09Å; V599-I625 HydrophobicContact CB-CG2 3.86Å; V599-I625 HydrophobicContact CG1-CD1 4.16Å; V599-I625 HydrophobicContact CG1-CG1 4.26Å; V599-I625 HydrophobicContact CG1-CG2 3.74Å; V599-I625 HydrophobicContact CG2-CD1 4.27Å; V599-I625 HydrophobicContact CG2-CG1 4Å; V601-I625 HydrophobicContact CG1-CG1 3.9Å; V619-I625 HydrophobicContact CG1-CG1 4.5Å; V619-I625 HydrophobicContact CG2-CD1 4.27Å; V619-I625 HydrophobicContact CG2-CG1 4.34Å |
| 626 | L | 98.5 | Very high | 98.2 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | -14.5 | -177.5 | -60.7 | -176.8 | 0 | 0 | 0 | 113.5 | R600 A602 F605 Q624 G653 V654 F660 | R600-L626 PolarHBondContact O-N 3.46Å; A602-L626 HydrophobicContact CB-CD1 3.69Å; A602-L626 HydrophobicContact CB-CG 4.47Å; F605-L626 HydrophobicContact CD2-CD1 4.34Å; F605-L626 HydrophobicContact CD2-CD2 3.71Å; F605-L626 HydrophobicContact CE2-CD2 3.86Å; Q624-L626 HydrophobicContact CG-CD1 4.29Å; Q624-L626 HydrophobicContact CG-CD2 3.97Å; Q624-L626 HydrophobicContact CG-CG 4.05Å; L626-G653 CarbonylContact O-C 3.58Å; L626-G653 WeakPolarHBondContact O-CA 3.23Å; L626-V654 HydrophobicContact CB-CG2 4.26Å; L626-V654 HydrophobicContact CD2-CG2 4.14Å; L626-V654 PolarHBondContact O-N 3.47Å; L626-F660 HydrophobicContact CB-CB 4.2Å; L626-F660 HydrophobicContact CB-CD1 3.47Å; L626-F660 VanDerWaalsContact CB-CD1 3.47Å; L626-F660 HydrophobicContact CB-CD2 4.24Å; L626-F660 HydrophobicContact CB-CE1 3.88Å; L626-F660 HydrophobicContact CB-CG 3.68Å; L626-F660 HydrophobicContact CB-CZ 4.46Å; L626-F660 HydrophobicContact CD1-CD1 4.36Å; L626-F660 HydrophobicContact CD1-CD2 4.01Å; L626-F660 HydrophobicContact CD1-CE1 4.15Å; L626-F660 HydrophobicContact CD1-CE2 3.81Å; L626-F660 HydrophobicContact CD1-CG 4.3Å; L626-F660 HydrophobicContact CD1-CZ 3.91Å; L626-F660 HydrophobicContact CG-CD1 4.47Å; L626-F660 HydrophobicContact CG-CE1 4.47Å |
| 627 | D | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.011 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 161.7 | 171.9 | -169.1 | 20.8 | 0 | 0 | 0 | 109.8 | R600 F660 K662 G663 | R600-D627 HydrophobicContact CB-CB 4.11Å; R600-D627 PolarHBondContact N-O 3.01Å; R600-D627 PolarHBondContact O-N 2.82Å; D627-F660 HydrophobicContact CB-CB 3.97Å; D627-F660 HydrophobicContact CB-CD1 4.24Å; D627-F660 WeakPolarHBondContact CB-O 3.37Å; D627-F660 VanDerWaalsContact CG-O 3.3Å; D627-K662 PolarHBondContact OD2-N 2.88Å; D627-G663 WeakPolarHBondContact OD1-CA 3.34Å; D627-G663 PolarHBondContact OD1-N 3.25Å; D627-G663 PolarHBondContact OD2-N 3.48Å |
| 628 | I | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 155.8 | 171 | 61.2 | 172.6 | 0 | 0 | 0 | 110.6 | P596 R600 A633 L636 V652 | P596-I628 HydrophobicContact CB-CG2 4.24Å; P596-I628 HydrophobicContact CG-CG2 3.75Å; R600-I628 PolarHBondContact NH1-O 3.02Å; I628-A633 HydrophobicContact CD1-CB 3.8Å; I628-A633 HydrophobicContact CG1-CB 4.24Å; I628-L636 HydrophobicContact CD1-CD1 3.73Å; I628-V652 HydrophobicContact CD1-CB 4.07Å; I628-V652 HydrophobicContact CD1-CG2 3.7Å; I628-V652 HydrophobicContact CG1-CB 4.34Å; I628-V652 HydrophobicContact CG1-CG2 3.93Å; I628-V652 HydrophobicContact CG2-CB 4.32Å |
| 629 | G | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -78.5 | 177.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D598 L613 A633 | D598-G629 WeakPolarHBondContact O-CA 3.42Å; D598-G629 PolarHBondContact O-N 2.89Å; D598-G629 WeakPolarHBondContact OD1-CA 3.38Å; D598-G629 VanDerWaalsContact OD2-C 3.25Å; D598-G629 VanDerWaalsContact OD2-CA 3.31Å; D598-G629 WeakPolarHBondContact OD2-CA 3.39Å; L613-G629 VanDerWaalsContact CD1-CA 3.41Å; G629-A633 VanDerWaalsContact O-CB 3.32Å; G629-A633 WeakPolarHBondContact O-CB 3.36Å; G629-A633 PolarHBondContact O-N 3.27Å | ||
| 630 | D | 98.3 | Very high | 98.3 | Very high | 63 Ų | 63 | 39 Ų | 39 | 34% | 0.337 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -70 | -39.9 | -176.2 | -70.6 | -42 | 0 | 0 | 0 | 112.3 | D598 R600 A633 Q634 | D598-D630 PolarHBondContact OD2-N 3.31Å; R600-D630 IonicContact CZ-OD1 3.49Å; R600-D630 IonicContact NH1-OD1 3.35Å; R600-D630 PolarHBondContact NH1-OD1 2.84Å; R600-D630 IonicContact NH2-OD1 2.7Å; R600-D630 PolarHBondContact NH2-OD1 2.89Å; R600-D630 IonicContact NH2-OD2 3.02Å; R600-D630 PolarHBondContact NH2-OD2 2.97Å; D630-A633 PolarHBondContact O-N 3.36Å; D630-Q634 WeakPolarHBondContact O-CG 3.24Å; D630-Q634 PolarHBondContact O-N 2.91Å |
| 631 | A | 98.4 | Very high | 98.3 | Very high | 55 Ų | 55 | 39.2 Ų | 39.2 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.1 | -45.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111 | D598 Q634 E635 | D598-A631 PolarHBondContact OD1-N 2.81Å; D598-A631 PolarHBondContact OD2-N 2.82Å; A631-Q634 PolarHBondContact O-N 3.14Å; A631-E635 PolarHBondContact O-N 3.17Å |
| 632 | S | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.028 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.6 | -45.6 | 175.8 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | P596 S597 D598 Q634 E635 L636 | P596-S632 WeakPolarHBondContact CA-OG 3.46Å; S597-S632 PolarHBondContact N-OG 2.8Å; S597-S632 PolarHBondContact OG-OG 2.77Å; D598-S632 PolarHBondContact N-OG 3.25Å; D598-S632 VanDerWaalsContact N-OG 3.16Å; D598-S632 PolarHBondContact O-OG 2.91Å; D598-S632 VanDerWaalsContact OD1-CB 3.25Å; D598-S632 WeakPolarHBondContact OD1-CB 3.5Å; D598-S632 PolarHBondContact OD1-N 2.73Å; D598-S632 PolarHBondContact OD1-OG 3.37Å; S632-Q634 VanDerWaalsContact C-N 3.32Å; S632-Q634 PolarHBondContact O-N 3.46Å; S632-E635 PolarHBondContact O-N 3.46Å; S632-L636 WeakPolarHBondContact O-CG 3.33Å; S632-L636 PolarHBondContact O-N 3.27Å |
| 633 | A | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.6 | -38.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I628 G629 D630 A637 I666 | I628-A633 HydrophobicContact CD1-CB 3.8Å; I628-A633 HydrophobicContact CG1-CB 4.24Å; G629-A633 VanDerWaalsContact O-CB 3.32Å; G629-A633 WeakPolarHBondContact O-CB 3.36Å; G629-A633 PolarHBondContact O-N 3.27Å; D630-A633 PolarHBondContact O-N 3.36Å; A633-A637 WeakPolarHBondContact O-CB 3.42Å; A633-A637 PolarHBondContact O-N 3Å; A633-I666 HydrophobicContact CB-CB 4.18Å; A633-I666 HydrophobicContact CB-CD1 3.69Å; A633-I666 HydrophobicContact CB-CG2 4.04Å |
| 634 | Q | 98.3 | Very high | 98.3 | Very high | 105 Ų | 105 | 42.2 Ų | 42.2 | 49% | 0.491 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.4 | -38.3 | 175.8 | -66.4 | -54 | -44.2 | 0 | 0 | 112.6 | D630 A631 S632 A637 E638 | D630-Q634 WeakPolarHBondContact O-CG 3.24Å; D630-Q634 PolarHBondContact O-N 2.91Å; A631-Q634 PolarHBondContact O-N 3.14Å; S632-Q634 VanDerWaalsContact C-N 3.32Å; S632-Q634 PolarHBondContact O-N 3.46Å; Q634-A637 PolarHBondContact O-N 2.75Å; Q634-E638 PolarHBondContact O-N 2.86Å |
| 635 | E | 98.4 | Very high | 98.3 | Very high | 95 Ų | 95 | 40.9 Ų | 40.9 | 44% | 0.444 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.6 | -46.6 | 173.4 | -179.5 | 176.1 | -172.6 | 0 | 0 | 111.3 | A631 S632 A637 E638 I639 | A631-E635 PolarHBondContact O-N 3.17Å; S632-E635 PolarHBondContact O-N 3.46Å; E635-A637 VanDerWaalsContact C-N 3.33Å; E635-A637 PolarHBondContact O-N 3.31Å; E635-E638 PolarHBondContact O-N 3.15Å; E635-I639 HydrophobicContact CG-CD1 4.23Å; E635-I639 WeakPolarHBondContact O-CG1 3.27Å; E635-I639 PolarHBondContact O-N 3.14Å; E635-I639 VanDerWaalsContact O-N 3.09Å |
| 636 | L | 98.5 | Very high | 98.2 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.3 | -40.1 | 176.1 | -60.6 | -171.6 | 0 | 0 | 0 | 111.8 | I554 P594 I628 S632 E638 I639 L640 V652 V667 | I554-L636 HydrophobicContact CB-CD2 4.5Å; I554-L636 HydrophobicContact CD1-CB 4.44Å; I554-L636 HydrophobicContact CD1-CD2 3.89Å; I554-L636 HydrophobicContact CG1-CD2 3.9Å; I554-L636 HydrophobicContact CG2-CD1 3.72Å; I554-L636 HydrophobicContact CG2-CD2 3.86Å; I554-L636 HydrophobicContact CG2-CG 4.38Å; P594-L636 HydrophobicContact CB-CD2 4.05Å; P594-L636 HydrophobicContact CG-CD2 4.5Å; I628-L636 HydrophobicContact CD1-CD1 3.73Å; S632-L636 WeakPolarHBondContact O-CG 3.33Å; S632-L636 PolarHBondContact O-N 3.27Å; L636-E638 PolarHBondContact O-N 3.12Å; L636-I639 HydrophobicContact CD2-CD1 4.49Å; L636-I639 PolarHBondContact O-N 3.37Å; L636-L640 WeakPolarHBondContact O-CB 3.28Å; L636-L640 WeakPolarHBondContact O-CD1 3.48Å; L636-L640 WeakPolarHBondContact O-CG 3.35Å; L636-L640 PolarHBondContact O-N 2.63Å; L636-V652 HydrophobicContact CD1-CG1 4.3Å; L636-V667 HydrophobicContact CB-CG2 4.24Å; L636-V667 HydrophobicContact CD1-CG2 4.01Å |
| 637 | A | 98.4 | Very high | 98.2 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 11% | 0.107 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.5 | -42.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A633 Q634 E635 L640 K641 I666 A670 | A633-A637 WeakPolarHBondContact O-CB 3.42Å; A633-A637 PolarHBondContact O-N 3Å; Q634-A637 PolarHBondContact O-N 2.75Å; E635-A637 VanDerWaalsContact C-N 3.33Å; E635-A637 PolarHBondContact O-N 3.31Å; A637-L640 PolarHBondContact O-N 3.49Å; A637-K641 WeakPolarHBondContact O-CB 3.22Å; A637-K641 PolarHBondContact O-N 3.03Å; A637-I666 HydrophobicContact CB-CG2 4.06Å; A637-A670 HydrophobicContact CB-CB 3.79Å |
| 638 | E | 98.2 | Very high | 98.2 | Very high | 96 Ų | 96 | 39.8 Ų | 39.8 | 45% | 0.449 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.4 | -37.3 | 176.2 | -76.4 | -62.5 | 140.9 | 0 | 0 | 112.5 | Q634 E635 L636 K641 N642 | Q634-E638 PolarHBondContact O-N 2.86Å; E635-E638 PolarHBondContact O-N 3.15Å; L636-E638 PolarHBondContact O-N 3.12Å; E638-K641 IonicContact OE1-NZ 3.15Å; E638-N642 PolarHBondContact O-N 3.06Å; E638-N642 PolarHBondContact O-ND2 2.91Å |
| 639 | I | 98.1 | Very high | 98.1 | Very high | 20 Ų | 20 | 39.7 Ų | 39.7 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 172.7 | -70.6 | 167.1 | 0 | 0 | 0 | 110.5 | V528 I554 P594 E635 L636 K641 N642 A643 | V528-I639 HydrophobicContact CG1-CG2 3.98Å; V528-I639 HydrophobicContact CG2-CG2 3.79Å; I554-I639 HydrophobicContact CD1-CG2 4.31Å; P594-I639 HydrophobicContact CB-CD1 4.25Å; P594-I639 HydrophobicContact CG-CD1 3.6Å; E635-I639 HydrophobicContact CG-CD1 4.23Å; E635-I639 WeakPolarHBondContact O-CG1 3.27Å; E635-I639 PolarHBondContact O-N 3.14Å; E635-I639 VanDerWaalsContact O-N 3.09Å; L636-I639 HydrophobicContact CD2-CD1 4.49Å; L636-I639 PolarHBondContact O-N 3.37Å; I639-K641 PolarHBondContact O-N 2.68Å; I639-N642 PolarHBondContact O-N 3.49Å; I639-A643 PolarHBondContact O-N 3.19Å |
| 640 | L | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.4 | -34.3 | -176.7 | -68.2 | 164.1 | 0 | 0 | 0 | 112.8 | V528 I530 I554 L636 A637 N642 A643 I646 V667 A670 I671 S674 | V528-L640 HydrophobicContact CB-CD2 4.38Å; V528-L640 HydrophobicContact CG1-CD2 3.85Å; I530-L640 HydrophobicContact CD1-CD1 4.11Å; I530-L640 HydrophobicContact CD1-CD2 3.76Å; I530-L640 HydrophobicContact CG1-CD2 4.27Å; I554-L640 HydrophobicContact CD1-CD2 4.17Å; I554-L640 HydrophobicContact CD1-CG 4.23Å; L636-L640 WeakPolarHBondContact O-CB 3.28Å; L636-L640 WeakPolarHBondContact O-CD1 3.48Å; L636-L640 WeakPolarHBondContact O-CG 3.35Å; L636-L640 PolarHBondContact O-N 2.63Å; A637-L640 PolarHBondContact O-N 3.49Å; L640-N642 VanDerWaalsContact C-N 3.29Å; L640-N642 PolarHBondContact O-N 3.2Å; L640-A643 WeakPolarHBondContact O-CB 3.37Å; L640-A643 PolarHBondContact O-N 3.09Å; L640-I646 HydrophobicContact CB-CD1 4.3Å; L640-I646 HydrophobicContact CD2-CD1 3.96Å; L640-I646 HydrophobicContact CD2-CG1 4.15Å; L640-I646 HydrophobicContact CD2-CG2 4.02Å; L640-V667 HydrophobicContact CD1-CG1 3.95Å; L640-A670 HydrophobicContact CB-CB 4.22Å; L640-A670 HydrophobicContact CD1-CB 4.16Å; L640-I671 HydrophobicContact CD1-CG1 4.09Å; L640-I671 HydrophobicContact CD2-CG1 4.3Å; L640-S674 WeakPolarHBondContact O-CB 3.44Å; L640-S674 PolarHBondContact O-OG 3.09Å |
| 641 | K | 97.9 | Very high | 97.9 | Very high | 125 Ų | 125 | 37.5 Ų | 37.5 | 54% | 0.543 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.7 | -34.9 | 174.3 | -177.8 | -177 | 175.8 | -172.1 | 0 | 112.9 | A637 E638 I639 | A637-K641 WeakPolarHBondContact O-CB 3.22Å; A637-K641 PolarHBondContact O-N 3.03Å; E638-K641 IonicContact OE1-NZ 3.15Å; I639-K641 PolarHBondContact O-N 2.68Å |
| 642 | N | 97.2 | Very high | 97.9 | Very high | 105 Ų | 105 | 35.1 Ų | 35.1 | 56% | 0.561 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -89.4 | -6.7 | -179.7 | -67.4 | -56.6 | 0 | 0 | 0 | 113.6 | E638 I639 L640 | E638-N642 PolarHBondContact O-N 3.06Å; E638-N642 PolarHBondContact O-ND2 2.91Å; I639-N642 PolarHBondContact O-N 3.49Å; L640-N642 VanDerWaalsContact C-N 3.29Å; L640-N642 PolarHBondContact O-N 3.2Å |
| 643 | A | 97.9 | Very high | 97.9 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 5% | 0.05 | 17% | 0.171 | C | C | . | . | trans | -68.1 | 151 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V528 I639 L640 I646 A676 | V528-A643 HydrophobicContact CB-CB 4.16Å; V528-A643 HydrophobicContact CG2-CB 3.65Å; I639-A643 PolarHBondContact O-N 3.19Å; L640-A643 WeakPolarHBondContact O-CB 3.37Å; L640-A643 PolarHBondContact O-N 3.09Å; A643-I646 HydrophobicContact CB-CD1 4.18Å; A643-I646 HydrophobicContact CB-CG1 3.71Å; A643-A676 HydrophobicContact CB-CB 4.39Å; A643-A676 WeakPolarHBondContact O-CB 3.35Å | ||
| 644 | K | 97.4 | Very high | 97.8 | Very high | 125 Ų | 125 | 36.7 Ų | 36.7 | 54% | 0.543 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -107.3 | -18.1 | 167.6 | -62.5 | -162.6 | -169.4 | 179.1 | 0 | 112.8 | A524 R525 P526 A676 F677 | A524-K644 HydrophobicContact CB-CB 3.67Å; A524-K644 HydrophobicContact CB-CD 4.4Å; A524-K644 WeakPolarHBondContact O-CB 3.33Å; R525-K644 WeakPolarHBondContact O-CD 3.46Å; R525-K644 WeakPolarHBondContact O-CE 3.49Å; R525-K644 WeakPolarHBondContact O-CG 3.49Å; P526-K644 PolarHBondContact O-N 2.98Å; K644-A676 WeakPolarHBondContact O-CA 3.22Å; K644-F677 PolarHBondContact O-N 3.29Å |
| 645 | T | 97.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 131.8 | 171.6 | -52.8 | 0 | 0 | 0 | 0 | 109.2 | A519 P523 A524 P526 M527 V528 F677 | A519-T645 HydrophobicContact CB-CG2 4.18Å; P523-T645 HydrophobicContact CB-CG2 3.79Å; A524-T645 PolarHBondContact N-OG1 2.8Å; A524-T645 WeakPolarHBondContact O-CB 3.49Å; A524-T645 PolarHBondContact O-N 2.77Å; A524-T645 PolarHBondContact O-OG1 2.94Å; P526-T645 PolarHBondContact O-N 2.87Å; M527-T645 WeakPolarHBondContact CA-O 3.46Å; M527-T645 HydrophobicContact CG-CG2 3.98Å; V528-T645 PolarHBondContact N-O 3.27Å; T645-F677 WeakPolarHBondContact CA-O 3.42Å; T645-F677 HydrophobicContact CG2-CD1 4.4Å |
| 646 | I | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126.6 | 177.8 | -61.2 | 169.8 | 0 | 0 | 0 | 109.3 | V528 I530 L640 A643 I671 A676 F677 S678 I679 | V528-I646 CarbonylContact O-C 3.53Å; V528-I646 VanDerWaalsContact O-CA 3.3Å; V528-I646 WeakPolarHBondContact O-CA 3.2Å; I530-I646 HydrophobicContact CD1-CG2 4.44Å; L640-I646 HydrophobicContact CB-CD1 4.3Å; L640-I646 HydrophobicContact CD2-CD1 3.96Å; L640-I646 HydrophobicContact CD2-CG1 4.15Å; L640-I646 HydrophobicContact CD2-CG2 4.02Å; A643-I646 HydrophobicContact CB-CD1 4.18Å; A643-I646 HydrophobicContact CB-CG1 3.71Å; I646-I671 HydrophobicContact CD1-CG1 4.47Å; I646-I671 HydrophobicContact CD1-CG2 4.27Å; I646-I671 HydrophobicContact CG2-CG1 4.21Å; I646-I671 HydrophobicContact CG2-CG2 4.21Å; I646-A676 HydrophobicContact CB-CB 4.49Å; I646-A676 HydrophobicContact CD1-CB 3.66Å; I646-A676 HydrophobicContact CG1-CB 3.68Å; I646-F677 PolarHBondContact N-O 2.79Å; I646-S678 WeakPolarHBondContact O-CA 3.42Å; I646-I679 PolarHBondContact O-N 3.14Å |
| 647 | L | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 118.2 | 167.5 | -174.3 | 153.6 | 0 | 0 | 0 | 109.5 | L520 M527 V528 A529 I530 L546 N649 I679 F708 V712 | L520-L647 HydrophobicContact CD2-CD1 3.77Å; L520-L647 HydrophobicContact CG-CD1 4.41Å; M527-L647 HydrophobicContact CE-CB 3.64Å; M527-L647 HydrophobicContact CE-CD1 4.42Å; V528-L647 PolarHBondContact O-N 3.31Å; A529-L647 CarbonylContact C-O 3.55Å; A529-L647 WeakPolarHBondContact CA-O 3.46Å; A529-L647 HydrophobicContact CB-CB 4.47Å; I530-L647 PolarHBondContact N-O 3.29Å; L546-L647 HydrophobicContact CD1-CD2 4.15Å; L546-L647 HydrophobicContact CD2-CD1 4.15Å; L647-N649 HydrophobicContact CD2-CB 4.38Å; L647-I679 CarbonylContact C-O 3.57Å; L647-I679 WeakPolarHBondContact CA-O 3.17Å; L647-I679 HydrophobicContact CB-CG2 4.03Å; L647-I679 HydrophobicContact CD1-CG2 4.28Å; L647-I679 HydrophobicContact CG-CG2 3.98Å; L647-F708 HydrophobicContact CD2-CZ 4.37Å; L647-F708 HydrophobicContact CG-CZ 4.34Å; L647-V712 HydrophobicContact CD1-CG2 4.07Å |
| 648 | W | 98 | Very high | 97.5 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 1% | 0.011 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 118.5 | -176.2 | -177.6 | 23.1 | 0 | 0 | 0 | 112.6 | I530 G650 A668 I671 I679 A680 G681 T685 A688 I689 I694 | I530-W648 HydrophobicContact CD1-CB 4.43Å; I530-W648 HydrophobicContact CD1-CG 4.26Å; W648-G650 PolarHBondContact NE1-O 3.17Å; W648-A668 HydrophobicContact CH2-CB 3.86Å; W648-A668 HydrophobicContact CZ2-CB 4.48Å; W648-A668 HydrophobicContact CZ3-CB 4.48Å; W648-I671 HydrophobicContact CB-CD1 4.1Å; W648-I671 HydrophobicContact CD2-CD1 3.48Å; W648-I671 VanDerWaalsContact CD2-CD1 3.48Å; W648-I671 HydrophobicContact CE3-CD1 3.51Å; W648-I671 HydrophobicContact CG-CD1 3.74Å; W648-I671 HydrophobicContact CZ3-CD1 4.13Å; W648-I679 PolarHBondContact N-O 3.02Å; W648-A680 HydrophobicContact CB-CB 4.4Å; W648-A680 HydrophobicContact CE3-CB 4.17Å; W648-A680 WeakPolarHBondContact O-CA 3.4Å; W648-G681 PolarHBondContact O-N 3.28Å; W648-T685 HydrophobicContact CB-CG2 4.4Å; W648-T685 HydrophobicContact CD2-CG2 3.37Å; W648-T685 HydrophobicContact CE3-CG2 3.75Å; W648-T685 HydrophobicContact CG-CG2 3.69Å; W648-T685 HydrophobicContact CH2-CG2 4.31Å; W648-T685 HydrophobicContact CZ2-CG2 3.97Å; W648-T685 HydrophobicContact CZ3-CG2 4.22Å; W648-A688 HydrophobicContact CH2-CB 4.01Å; W648-A688 HydrophobicContact CZ2-CB 4.01Å; W648-I689 HydrophobicContact CE3-CD1 4.15Å; W648-I689 HydrophobicContact CE3-CG1 4.16Å; W648-I689 HydrophobicContact CH2-CG1 3.81Å; W648-I689 HydrophobicContact CZ3-CD1 3.81Å; W648-I689 HydrophobicContact CZ3-CG1 3.32Å; W648-I694 HydrophobicContact CH2-CD1 4.45Å; W648-I694 HydrophobicContact CZ3-CD1 4.06Å |
| 649 | N | 96.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 88.4 | 177.2 | -176 | -110.6 | 0 | 0 | 0 | 112.5 | I530 V531 G532 K539 L647 G681 F708 L709 | I530-N649 CarbonylContact O-C 3.57Å; I530-N649 WeakPolarHBondContact O-CA 3.44Å; I530-N649 PolarHBondContact O-N 2.9Å; V531-N649 CarbonylContact C-O 3.6Å; V531-N649 WeakPolarHBondContact CA-O 3.4Å; G532-N649 PolarHBondContact N-O 3.15Å; K539-N649 WeakPolarHBondContact CE-OD1 3.37Å; K539-N649 PolarHBondContact NZ-O 2.92Å; K539-N649 PolarHBondContact NZ-OD1 3.38Å; L647-N649 HydrophobicContact CD2-CB 4.38Å; N649-G681 PolarHBondContact ND2-O 2.8Å; N649-F708 HydrophobicContact CB-CE1 4.39Å; N649-L709 WeakPolarHBondContact OD1-CD2 3.49Å |
| 650 | G | 95.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 106.2 | 161.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | W648 T685 | W648-G650 PolarHBondContact NE1-O 3.17Å; G650-T685 PolarHBondContact N-OG1 2.67Å |
| 651 | P | 97.6 | Very high | 97.5 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 10% | 0.104 | 19% | 0.187 | C | C | . | . | trans | -82.8 | 167.2 | -177.4 | 36.5 | -39.1 | 0 | 0 | 0 | 112.7 | G532 G653 F655 T664 | G532-P651 VanDerWaalsContact CA-O 3.24Å; G532-P651 WeakPolarHBondContact CA-O 3.48Å; P651-G653 WeakPolarHBondContact CB-O 3.37Å; P651-F655 HydrophobicContact CB-CD1 3.47Å; P651-F655 VanDerWaalsContact CB-CD1 3.47Å; P651-F655 HydrophobicContact CB-CE1 3.84Å; P651-F655 HydrophobicContact CG-CD1 3.79Å; P651-F655 HydrophobicContact CG-CE1 3.82Å; P651-T664 HydrophobicContact CB-CG2 3.77Å | ||
| 652 | V | 98.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -95.6 | -9.9 | 173.9 | -64.9 | 0 | 0 | 0 | 0 | 113.4 | G557 I628 L636 T664 V667 | G557-V652 PolarHBondContact N-O 2.77Å; I628-V652 HydrophobicContact CD1-CB 4.07Å; I628-V652 HydrophobicContact CD1-CG2 3.7Å; I628-V652 HydrophobicContact CG1-CB 4.34Å; I628-V652 HydrophobicContact CG1-CG2 3.93Å; I628-V652 HydrophobicContact CG2-CB 4.32Å; L636-V652 HydrophobicContact CD1-CG1 4.3Å; V652-T664 PolarHBondContact N-OG1 3.26Å; V652-V667 HydrophobicContact CG1-CG2 4.23Å; V652-V667 HydrophobicContact CG2-CG2 4.04Å |
| 653 | G | 98 | Very high | 97.6 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -152.8 | 178.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L626 P651 F655 T664 | L626-G653 CarbonylContact O-C 3.58Å; L626-G653 WeakPolarHBondContact O-CA 3.23Å; P651-G653 WeakPolarHBondContact CB-O 3.37Å; G653-F655 PolarHBondContact O-N 3.19Å; G653-T664 PolarHBondContact N-OG1 2.8Å |
| 654 | V | 97.9 | Very high | 97.6 | Very high | 31 Ų | 31 | 30.6 Ų | 30.6 | 19% | 0.188 | 15% | 0.151 | C | C | . | . | trans | -79.2 | 70.7 | 178.5 | -171.7 | 0 | 0 | 0 | 0 | 109.5 | F605 L626 E656 F657 F660 | F605-V654 HydrophobicContact CE2-CG1 4.3Å; F605-V654 HydrophobicContact CE2-CG2 4.11Å; F605-V654 HydrophobicContact CZ-CG1 4.08Å; L626-V654 HydrophobicContact CB-CG2 4.26Å; L626-V654 HydrophobicContact CD2-CG2 4.14Å; L626-V654 PolarHBondContact O-N 3.47Å; V654-E656 WeakPolarHBondContact CG1-OE2 3.42Å; V654-E656 PolarHBondContact O-N 3.08Å; V654-E656 VanDerWaalsContact O-N 3.1Å; V654-F657 HydrophobicContact CB-CD2 4.28Å; V654-F657 HydrophobicContact CG1-CD2 3.61Å; V654-F657 HydrophobicContact CG1-CE2 3.72Å; V654-F657 HydrophobicContact CG1-CG 4.12Å; V654-F657 HydrophobicContact CG1-CZ 4.31Å; V654-F657 PolarHBondContact O-N 3.3Å; V654-F660 CarbonylContact C-O 3.47Å; V654-F660 HydrophobicContact CB-CB 4.49Å | ||
| 655 | F | 97.6 | Very high | 97.6 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -13.6 | -170.5 | 72.9 | -86.7 | 0 | 0 | 0 | 114 | P651 G653 F657 R661 T664 D684 A687 A688 L691 | P651-F655 HydrophobicContact CB-CD1 3.47Å; P651-F655 VanDerWaalsContact CB-CD1 3.47Å; P651-F655 HydrophobicContact CB-CE1 3.84Å; P651-F655 HydrophobicContact CG-CD1 3.79Å; P651-F655 HydrophobicContact CG-CE1 3.82Å; G653-F655 PolarHBondContact O-N 3.19Å; F655-F657 PolarHBondContact O-N 2.99Å; F655-R661 HydrophobicContact CB-CG 4.21Å; F655-R661 PolarHBondContact O-NE 2.96Å; F655-R661 PolarHBondContact O-NH2 3.36Å; F655-T664 HydrophobicContact CB-CG2 4.22Å; F655-T664 HydrophobicContact CD1-CG2 4.47Å; F655-T664 HydrophobicContact CG-CG2 4.4Å; F655-D684 HydrophobicContact CE1-CB 4.37Å; F655-D684 WeakPolarHBondContact CZ-O 3.38Å; F655-A687 HydrophobicContact CE2-CB 4.3Å; F655-A687 HydrophobicContact CZ-CB 4.02Å; F655-A688 HydrophobicContact CD2-CB 4.44Å; F655-A688 HydrophobicContact CE1-CB 4.48Å; F655-A688 HydrophobicContact CE2-CB 4.14Å; F655-A688 HydrophobicContact CZ-CB 4.16Å; F655-L691 HydrophobicContact CD2-CD2 3.71Å; F655-L691 HydrophobicContact CE2-CD2 4.19Å |
| 656 | E | 95.1 | Very high | 97.7 | Very high | 103 Ų | 103 | 28.7 Ų | 28.7 | 48% | 0.481 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -36.6 | 169.5 | -62.1 | 84.7 | 171.2 | 0 | 0 | 110.9 | V654 R661 | V654-E656 WeakPolarHBondContact CG1-OE2 3.42Å; V654-E656 PolarHBondContact O-N 3.08Å; V654-E656 VanDerWaalsContact O-N 3.1Å; E656-R661 PolarHBondContact O-NH2 3.25Å |
| 657 | F | 97.5 | Very high | 97.7 | Very high | 31 Ų | 31 | 28.8 Ų | 28.8 | 14% | 0.136 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -88.4 | 124.7 | 178.7 | -57.4 | -23.6 | 0 | 0 | 0 | 111 | F605 E607 V654 F655 N659 F660 R661 | F605-F657 HydrophobicContact CD1-CE2 4.04Å; F605-F657 HydrophobicContact CD1-CZ 4.04Å; F605-F657 HydrophobicContact CD2-CE2 4.3Å; F605-F657 AromaticContact CE1-CE2 3.81Å; F605-F657 HydrophobicContact CE1-CE2 3.81Å; F605-F657 AromaticContact CE1-CZ 3.68Å; F605-F657 HydrophobicContact CE1-CZ 3.68Å; F605-F657 HydrophobicContact CE2-CE2 4.09Å; F605-F657 HydrophobicContact CG-CE2 4.28Å; F605-F657 AromaticContact CZ-CE2 3.83Å; F605-F657 HydrophobicContact CZ-CE2 3.83Å; F605-F657 HydrophobicContact CZ-CZ 4.06Å; E607-F657 HydrophobicContact CB-CD1 3.68Å; E607-F657 HydrophobicContact CB-CE1 4.03Å; E607-F657 HydrophobicContact CB-CG 4.41Å; V654-F657 HydrophobicContact CB-CD2 4.28Å; V654-F657 HydrophobicContact CG1-CD2 3.61Å; V654-F657 HydrophobicContact CG1-CE2 3.72Å; V654-F657 HydrophobicContact CG1-CG 4.12Å; V654-F657 HydrophobicContact CG1-CZ 4.31Å; V654-F657 PolarHBondContact O-N 3.3Å; F655-F657 PolarHBondContact O-N 2.99Å; F657-N659 PolarHBondContact O-N 2.81Å; F657-N659 VanDerWaalsContact O-N 3.13Å; F657-F660 HydrophobicContact CB-CB 4.41Å; F657-F660 HydrophobicContact CB-CD2 3.87Å; F657-F660 HydrophobicContact CD2-CD2 4.09Å; F657-F660 CarbonylContact O-C 3.55Å; F657-F660 PolarHBondContact O-N 2.67Å; F657-R661 PolarHBondContact O-N 3.15Å |
| 658 | P | 97.2 | Very high | 97.7 | Very high | 77 Ų | 77 | 28.8 Ų | 28.8 | 50% | 0.5 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -54.1 | -36.9 | -177.9 | -28.3 | 35.4 | 0 | 0 | 0 | 114.4 | F660 | P658-F660 VanDerWaalsContact C-N 3.26Å; P658-F660 PolarHBondContact O-N 2.73Å |
| 659 | N | 97.8 | Very high | 97.8 | Very high | 73 Ų | 73 | 31.3 Ų | 31.3 | 39% | 0.39 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -72.9 | -14.9 | -179.1 | -66.8 | -18.5 | 0 | 0 | 0 | 114 | A609 A611 F657 | A609-N659 PolarHBondContact O-ND2 2.6Å; A611-N659 HydrophobicContact CB-CB 4.11Å; A611-N659 WeakPolarHBondContact CB-O 3.42Å; F657-N659 PolarHBondContact O-N 2.81Å; F657-N659 VanDerWaalsContact O-N 3.13Å |
| 660 | F | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -122.6 | 22.3 | -177.6 | -57.2 | -71.7 | 0 | 0 | 0 | 111.9 | R600 A602 A609 A611 L626 D627 V654 F657 P658 | R600-F660 HydrophobicContact CB-CD1 4.13Å; R600-F660 HydrophobicContact CB-CE1 4.27Å; A602-F660 HydrophobicContact CB-CE1 4.27Å; A602-F660 HydrophobicContact CB-CE2 4.36Å; A602-F660 HydrophobicContact CB-CZ 3.64Å; A609-F660 HydrophobicContact CB-CE2 4.17Å; A611-F660 HydrophobicContact CB-CD1 4.08Å; A611-F660 HydrophobicContact CB-CE1 3.47Å; A611-F660 VanDerWaalsContact CB-CE1 3.47Å; A611-F660 HydrophobicContact CB-CZ 3.78Å; L626-F660 HydrophobicContact CB-CB 4.2Å; L626-F660 HydrophobicContact CB-CD1 3.47Å; L626-F660 VanDerWaalsContact CB-CD1 3.47Å; L626-F660 HydrophobicContact CB-CD2 4.24Å; L626-F660 HydrophobicContact CB-CE1 3.88Å; L626-F660 HydrophobicContact CB-CG 3.68Å; L626-F660 HydrophobicContact CB-CZ 4.46Å; L626-F660 HydrophobicContact CD1-CD1 4.36Å; L626-F660 HydrophobicContact CD1-CD2 4.01Å; L626-F660 HydrophobicContact CD1-CE1 4.15Å; L626-F660 HydrophobicContact CD1-CE2 3.81Å; L626-F660 HydrophobicContact CD1-CG 4.3Å; L626-F660 HydrophobicContact CD1-CZ 3.91Å; L626-F660 HydrophobicContact CG-CD1 4.47Å; L626-F660 HydrophobicContact CG-CE1 4.47Å; D627-F660 HydrophobicContact CB-CB 3.97Å; D627-F660 HydrophobicContact CB-CD1 4.24Å; D627-F660 WeakPolarHBondContact CB-O 3.37Å; D627-F660 VanDerWaalsContact CG-O 3.3Å; V654-F660 CarbonylContact C-O 3.47Å; V654-F660 HydrophobicContact CB-CB 4.49Å; F657-F660 HydrophobicContact CB-CB 4.41Å; F657-F660 HydrophobicContact CB-CD2 3.87Å; F657-F660 HydrophobicContact CD2-CD2 4.09Å; F657-F660 CarbonylContact O-C 3.55Å; F657-F660 PolarHBondContact O-N 2.67Å; P658-F660 VanDerWaalsContact C-N 3.26Å; P658-F660 PolarHBondContact O-N 2.73Å |
| 661 | R | 97.7 | Very high | 98 | Very high | 68 Ų | 68 | 31.9 Ų | 31.9 | 26% | 0.257 | 16% | 0.163 | S | C | . | . | trans | -92.8 | -19.4 | -177.8 | -171 | 174.2 | -63.6 | 166.4 | 0.9 | 113.4 | F655 E656 F657 G663 T664 E665 F692 | F655-R661 HydrophobicContact CB-CG 4.21Å; F655-R661 PolarHBondContact O-NE 2.96Å; F655-R661 PolarHBondContact O-NH2 3.36Å; E656-R661 PolarHBondContact O-NH2 3.25Å; F657-R661 PolarHBondContact O-N 3.15Å; R661-G663 PolarHBondContact O-N 3.16Å; R661-T664 PolarHBondContact O-N 2.92Å; R661-E665 PolarHBondContact O-N 3.37Å; R661-F692 HydrophobicContact CG-CE1 3.74Å; R661-F692 HydrophobicContact CG-CZ 3.61Å | ||
| 662 | K | 98.3 | Very high | 98 | Very high | 89 Ų | 89 | 31.6 Ų | 31.6 | 39% | 0.387 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.8 | -42.2 | -162.7 | -172.4 | 60.5 | -175.4 | 172.5 | 0 | 113 | D627 E665 I666 | D627-K662 PolarHBondContact OD2-N 2.88Å; K662-E665 VanDerWaalsContact CD-OE2 3.31Å; K662-E665 WeakPolarHBondContact CD-OE2 3.34Å; K662-E665 IonicContact NZ-OE2 3.19Å; K662-E665 PolarHBondContact NZ-OE2 3.14Å; K662-E665 PolarHBondContact O-N 2.88Å; K662-I666 HydrophobicContact CD-CD1 4.33Å; K662-I666 HydrophobicContact CD-CG1 4.5Å; K662-I666 HydrophobicContact CG-CD1 4.04Å; K662-I666 WeakPolarHBondContact O-CG1 3.38Å; K662-I666 PolarHBondContact O-N 2.84Å |
| 663 | G | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | D627 R661 E665 I666 V667 | D627-G663 WeakPolarHBondContact OD1-CA 3.34Å; D627-G663 PolarHBondContact OD1-N 3.25Å; D627-G663 PolarHBondContact OD2-N 3.48Å; R661-G663 PolarHBondContact O-N 3.16Å; G663-E665 PolarHBondContact O-N 2.94Å; G663-I666 PolarHBondContact O-N 3.41Å; G663-V667 WeakPolarHBondContact O-CG2 3.49Å; G663-V667 PolarHBondContact O-N 3.07Å |
| 664 | T | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.7 | -36.3 | 178.8 | -51.7 | 0 | 0 | 0 | 0 | 111.8 | P651 V652 G653 F655 R661 V667 A668 A688 F692 | P651-T664 HydrophobicContact CB-CG2 3.77Å; V652-T664 PolarHBondContact N-OG1 3.26Å; G653-T664 PolarHBondContact N-OG1 2.8Å; F655-T664 HydrophobicContact CB-CG2 4.22Å; F655-T664 HydrophobicContact CD1-CG2 4.47Å; F655-T664 HydrophobicContact CG-CG2 4.4Å; R661-T664 PolarHBondContact O-N 2.92Å; T664-V667 PolarHBondContact O-N 2.99Å; T664-A668 WeakPolarHBondContact O-CB 3.44Å; T664-A668 PolarHBondContact O-N 3.21Å; T664-A688 HydrophobicContact CG2-CB 4.2Å; T664-F692 HydrophobicContact CG2-CE2 3.95Å |
| 665 | E | 98.6 | Very high | 98 | Very high | 65 Ų | 65 | 45.4 Ų | 45.4 | 30% | 0.304 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.6 | -46.7 | 173.3 | -178 | -172.5 | -141.9 | 0 | 0 | 111.9 | R661 K662 G663 A668 N669 F692 | R661-E665 PolarHBondContact O-N 3.37Å; K662-E665 VanDerWaalsContact CD-OE2 3.31Å; K662-E665 WeakPolarHBondContact CD-OE2 3.34Å; K662-E665 IonicContact NZ-OE2 3.19Å; K662-E665 PolarHBondContact NZ-OE2 3.14Å; K662-E665 PolarHBondContact O-N 2.88Å; G663-E665 PolarHBondContact O-N 2.94Å; E665-A668 PolarHBondContact O-N 2.99Å; E665-N669 PolarHBondContact O-N 3.34Å; E665-N669 PolarHBondContact O-ND2 2.64Å; E665-F692 HydrophobicContact CB-CD1 4.16Å; E665-F692 HydrophobicContact CB-CE1 3.58Å; E665-F692 HydrophobicContact CB-CZ 3.83Å; E665-F692 HydrophobicContact CG-CD1 4.01Å; E665-F692 HydrophobicContact CG-CE1 3.87Å |
| 666 | I | 98.6 | Very high | 97.9 | Very high | 22 Ų | 22 | 45.2 Ų | 45.2 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.4 | -47.7 | 179.1 | -69.6 | 166.5 | 0 | 0 | 0 | 110.4 | A633 A637 K662 G663 N669 A670 | A633-I666 HydrophobicContact CB-CB 4.18Å; A633-I666 HydrophobicContact CB-CD1 3.69Å; A633-I666 HydrophobicContact CB-CG2 4.04Å; A637-I666 HydrophobicContact CB-CG2 4.06Å; K662-I666 HydrophobicContact CD-CD1 4.33Å; K662-I666 HydrophobicContact CD-CG1 4.5Å; K662-I666 HydrophobicContact CG-CD1 4.04Å; K662-I666 WeakPolarHBondContact O-CG1 3.38Å; K662-I666 PolarHBondContact O-N 2.84Å; G663-I666 PolarHBondContact O-N 3.41Å; I666-N669 PolarHBondContact O-N 2.99Å; I666-A670 WeakPolarHBondContact O-CB 3.47Å; I666-A670 PolarHBondContact O-N 2.86Å |
| 667 | V | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.2 | -46.1 | 178.5 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | I530 L636 L640 V652 G663 T664 N669 A670 I671 | I530-V667 HydrophobicContact CD1-CG1 3.87Å; L636-V667 HydrophobicContact CB-CG2 4.24Å; L636-V667 HydrophobicContact CD1-CG2 4.01Å; L640-V667 HydrophobicContact CD1-CG1 3.95Å; V652-V667 HydrophobicContact CG1-CG2 4.23Å; V652-V667 HydrophobicContact CG2-CG2 4.04Å; G663-V667 WeakPolarHBondContact O-CG2 3.49Å; G663-V667 PolarHBondContact O-N 3.07Å; T664-V667 PolarHBondContact O-N 2.99Å; V667-N669 PolarHBondContact O-N 2.74Å; V667-A670 PolarHBondContact O-N 2.64Å; V667-I671 HydrophobicContact CG1-CD1 4.03Å; V667-I671 VanDerWaalsContact O-CG1 3.28Å; V667-I671 WeakPolarHBondContact O-CG1 3.43Å; V667-I671 PolarHBondContact O-N 2.58Å |
| 668 | A | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.1 | -47 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W648 T664 E665 I671 A672 F692 I694 | W648-A668 HydrophobicContact CH2-CB 3.86Å; W648-A668 HydrophobicContact CZ2-CB 4.48Å; W648-A668 HydrophobicContact CZ3-CB 4.48Å; T664-A668 WeakPolarHBondContact O-CB 3.44Å; T664-A668 PolarHBondContact O-N 3.21Å; E665-A668 PolarHBondContact O-N 2.99Å; A668-I671 PolarHBondContact O-N 3.26Å; A668-A672 WeakPolarHBondContact O-CB 3.5Å; A668-A672 PolarHBondContact O-N 3.48Å; A668-F692 HydrophobicContact CB-CD2 3.65Å; A668-F692 HydrophobicContact CB-CE2 4.23Å; A668-F692 HydrophobicContact CB-CG 4.34Å; A668-I694 HydrophobicContact CB-CD1 3.7Å; A668-I694 VanDerWaalsContact O-CD1 3.3Å; A668-I694 WeakPolarHBondContact O-CD1 3.33Å |
| 669 | N | 98.4 | Very high | 98 | Very high | 56 Ų | 56 | 36.9 Ų | 36.9 | 30% | 0.299 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66.8 | -37.3 | 176.9 | -72.5 | -53.3 | 0 | 0 | 0 | 112.5 | E665 I666 V667 I671 A672 D673 | E665-N669 PolarHBondContact O-N 3.34Å; E665-N669 PolarHBondContact O-ND2 2.64Å; I666-N669 PolarHBondContact O-N 2.99Å; V667-N669 PolarHBondContact O-N 2.74Å; N669-I671 VanDerWaalsContact C-N 3.31Å; N669-I671 PolarHBondContact O-N 2.79Å; N669-A672 WeakPolarHBondContact O-CB 3.36Å; N669-A672 PolarHBondContact O-N 3.28Å; N669-A672 VanDerWaalsContact O-N 3.11Å; N669-D673 WeakPolarHBondContact O-CB 3.12Å; N669-D673 PolarHBondContact O-N 3.02Å |
| 670 | A | 98.5 | Very high | 97.9 | Very high | 15 Ų | 15 | 33.4 Ų | 33.4 | 12% | 0.124 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.8 | -36.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A637 L640 I666 V667 S674 | A637-A670 HydrophobicContact CB-CB 3.79Å; L640-A670 HydrophobicContact CB-CB 4.22Å; L640-A670 HydrophobicContact CD1-CB 4.16Å; I666-A670 WeakPolarHBondContact O-CB 3.47Å; I666-A670 PolarHBondContact O-N 2.86Å; V667-A670 PolarHBondContact O-N 2.64Å; A670-S674 WeakPolarHBondContact O-CB 3.37Å; A670-S674 PolarHBondContact O-N 3.35Å |
| 671 | I | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.5 | -42.8 | 172.6 | -60.2 | 164 | 0 | 0 | 0 | 110.2 | I530 L640 I646 W648 V667 A668 N669 D673 S674 I698 | I530-I671 HydrophobicContact CD1-CD1 3.62Å; I530-I671 HydrophobicContact CD1-CG1 4.2Å; L640-I671 HydrophobicContact CD1-CG1 4.09Å; L640-I671 HydrophobicContact CD2-CG1 4.3Å; I646-I671 HydrophobicContact CD1-CG1 4.47Å; I646-I671 HydrophobicContact CD1-CG2 4.27Å; I646-I671 HydrophobicContact CG2-CG1 4.21Å; I646-I671 HydrophobicContact CG2-CG2 4.21Å; W648-I671 HydrophobicContact CB-CD1 4.1Å; W648-I671 HydrophobicContact CD2-CD1 3.48Å; W648-I671 VanDerWaalsContact CD2-CD1 3.48Å; W648-I671 HydrophobicContact CE3-CD1 3.51Å; W648-I671 HydrophobicContact CG-CD1 3.74Å; W648-I671 HydrophobicContact CZ3-CD1 4.13Å; V667-I671 HydrophobicContact CG1-CD1 4.03Å; V667-I671 VanDerWaalsContact O-CG1 3.28Å; V667-I671 WeakPolarHBondContact O-CG1 3.43Å; V667-I671 PolarHBondContact O-N 2.58Å; A668-I671 PolarHBondContact O-N 3.26Å; N669-I671 VanDerWaalsContact C-N 3.31Å; N669-I671 PolarHBondContact O-N 2.79Å; I671-D673 VanDerWaalsContact C-N 3.35Å; I671-D673 PolarHBondContact O-N 3.23Å; I671-S674 PolarHBondContact O-N 3.22Å; I671-I698 HydrophobicContact CG2-CD1 3.67Å |
| 672 | A | 98.2 | Very high | 97.1 | Very high | 11 Ų | 11 | 30.7 Ų | 30.7 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.6 | -31.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A668 N669 I694 K697 | A668-A672 WeakPolarHBondContact O-CB 3.5Å; A668-A672 PolarHBondContact O-N 3.48Å; N669-A672 WeakPolarHBondContact O-CB 3.36Å; N669-A672 PolarHBondContact O-N 3.28Å; N669-A672 VanDerWaalsContact O-N 3.11Å; A672-I694 HydrophobicContact CB-CB 3.92Å; A672-I694 HydrophobicContact CB-CD1 4.17Å; A672-I694 HydrophobicContact CB-CG2 3.86Å; A672-K697 HydrophobicContact CB-CB 3.85Å; A672-K697 HydrophobicContact CB-CD 3.63Å; A672-K697 HydrophobicContact CB-CG 4.44Å |
| 673 | D | 98 | Very high | 96.5 | Very high | 112 Ų | 112 | 29 Ų | 29 | 60% | 0.599 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -2.9 | 179.8 | -63 | -23.1 | 0 | 0 | 0 | 112.8 | N669 I671 K697 | N669-D673 WeakPolarHBondContact O-CB 3.12Å; N669-D673 PolarHBondContact O-N 3.02Å; I671-D673 VanDerWaalsContact C-N 3.35Å; I671-D673 PolarHBondContact O-N 3.23Å; D673-K697 IonicContact OD1-NZ 3.35Å; D673-K697 PolarHBondContact OD1-NZ 3.21Å |
| 674 | S | 98.1 | Very high | 96.1 | Very high | 17 Ų | 17 | 33.1 Ų | 33.1 | 12% | 0.119 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -77.8 | 145.1 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | L640 A670 I671 A676 | L640-S674 WeakPolarHBondContact O-CB 3.44Å; L640-S674 PolarHBondContact O-OG 3.09Å; A670-S674 WeakPolarHBondContact O-CB 3.37Å; A670-S674 PolarHBondContact O-N 3.35Å; I671-S674 PolarHBondContact O-N 3.22Å; S674-A676 PolarHBondContact O-N 2.99Å; S674-A676 WeakPolarHBondContact OG-CB 3.47Å; S674-A676 PolarHBondContact OG-N 2.76Å |
| 675 | E | 96.7 | Very high | 95.9 | Very high | 201 Ų | 201 | 33.1 Ų | 33.1 | 94% | 0.939 | 19% | 0.188 | S | C | * | . | trans | -77 | -2 | 172.4 | -62.9 | -170.9 | 164.3 | 0 | 0 | 112.9 | ||||
| 676 | A | 97.5 | Very high | 95.5 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -62.9 | 149.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A643 K644 I646 S674 S678 | A643-A676 HydrophobicContact CB-CB 4.39Å; A643-A676 WeakPolarHBondContact O-CB 3.35Å; K644-A676 WeakPolarHBondContact O-CA 3.22Å; I646-A676 HydrophobicContact CB-CB 4.49Å; I646-A676 HydrophobicContact CD1-CB 3.66Å; I646-A676 HydrophobicContact CG1-CB 3.68Å; S674-A676 PolarHBondContact O-N 2.99Å; S674-A676 WeakPolarHBondContact OG-CB 3.47Å; S674-A676 PolarHBondContact OG-N 2.76Å; A676-S678 PolarHBondContact O-N 2.95Å; A676-S678 VanDerWaalsContact O-N 3.12Å |
| 677 | F | 97.5 | Very high | 95.1 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 111.2 | 160.6 | 177.8 | -104.9 | 0 | 0 | 0 | 109.1 | A515 K518 A519 K644 T645 I646 I679 | A515-F677 HydrophobicContact CB-CZ 4.15Å; K518-F677 HydrophobicContact CB-CE1 4.21Å; K518-F677 HydrophobicContact CD-CD1 4.09Å; K518-F677 HydrophobicContact CD-CD2 4.15Å; K518-F677 HydrophobicContact CD-CE1 4.01Å; K518-F677 HydrophobicContact CD-CE2 4.07Å; K518-F677 HydrophobicContact CD-CG 4.16Å; K518-F677 HydrophobicContact CD-CZ 4Å; K518-F677 HydrophobicContact CG-CD1 4.26Å; K518-F677 HydrophobicContact CG-CE1 4.2Å; A519-F677 HydrophobicContact CB-CE1 4.23Å; K644-F677 PolarHBondContact O-N 3.29Å; T645-F677 WeakPolarHBondContact CA-O 3.42Å; T645-F677 HydrophobicContact CG2-CD1 4.4Å; I646-F677 PolarHBondContact N-O 2.79Å; F677-I679 HydrophobicContact CE1-CB 4.48Å |
| 678 | S | 97.5 | Very high | 95 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.9 | -174.9 | 53.5 | 0 | 0 | 0 | 0 | 111.9 | I646 A676 I698 S699 Y700 | I646-S678 WeakPolarHBondContact O-CA 3.42Å; A676-S678 PolarHBondContact O-N 2.95Å; A676-S678 VanDerWaalsContact O-N 3.12Å; S678-I698 WeakPolarHBondContact O-CG2 3.08Å; S678-S699 PolarHBondContact N-OG 3.25Å; S678-S699 VanDerWaalsContact N-OG 3.12Å; S678-S699 CarbonylContact O-C 3.54Å; S678-S699 WeakPolarHBondContact O-CA 3.45Å; S678-S699 VanDerWaalsContact O-CB 3.24Å; S678-S699 WeakPolarHBondContact O-CB 3.39Å; S678-S699 PolarHBondContact O-N 3.34Å; S678-S699 VanDerWaalsContact O-N 3.1Å; S678-S699 PolarHBondContact OG-N 3.06Å; S678-S699 PolarHBondContact OG-OG 3.25Å; S678-Y700 PolarHBondContact O-N 3.41Å |
| 679 | I | 96.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.1 | 172.4 | -172.7 | 165.6 | 0 | 0 | 0 | 110.2 | A515 L516 A519 I646 L647 W648 F677 Y700 F708 | A515-I679 HydrophobicContact CB-CD1 4.13Å; L516-I679 HydrophobicContact CD2-CD1 3.76Å; L516-I679 HydrophobicContact CG-CD1 3.9Å; A519-I679 HydrophobicContact CB-CG2 3.71Å; I646-I679 PolarHBondContact O-N 3.14Å; L647-I679 CarbonylContact C-O 3.57Å; L647-I679 WeakPolarHBondContact CA-O 3.17Å; L647-I679 HydrophobicContact CB-CG2 4.03Å; L647-I679 HydrophobicContact CD1-CG2 4.28Å; L647-I679 HydrophobicContact CG-CG2 3.98Å; W648-I679 PolarHBondContact N-O 3.02Å; F677-I679 HydrophobicContact CE1-CB 4.48Å; I679-Y700 WeakPolarHBondContact CA-O 3.21Å; I679-Y700 HydrophobicContact CD1-CD1 3.93Å; I679-Y700 HydrophobicContact CG1-CD1 4.05Å; I679-F708 HydrophobicContact CD1-CE2 4.09Å; I679-F708 HydrophobicContact CG1-CE2 4.09Å |
| 680 | A | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 142.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | W648 T685 I689 I698 Y700 S702 | W648-A680 HydrophobicContact CB-CB 4.4Å; W648-A680 HydrophobicContact CE3-CB 4.17Å; W648-A680 WeakPolarHBondContact O-CA 3.4Å; A680-T685 HydrophobicContact CB-CG2 4.04Å; A680-I689 HydrophobicContact CB-CD1 3.49Å; A680-I689 VanDerWaalsContact CB-CD1 3.49Å; A680-I698 HydrophobicContact CB-CG2 3.98Å; A680-Y700 PolarHBondContact N-O 3.02Å; A680-S702 WeakPolarHBondContact O-CB 3.48Å; A680-S702 PolarHBondContact O-N 3.43Å |
| 681 | G | 91 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 155.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | W648 N649 T685 | W648-G681 PolarHBondContact O-N 3.28Å; N649-G681 PolarHBondContact ND2-O 2.8Å; G681-T685 WeakPolarHBondContact O-CB 3.4Å; G681-T685 PolarHBondContact O-OG1 3.42Å |
| 682 | G | 87.5 | Confident | 94.1 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 103.8 | 143.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D684 T685 L686 | G682-D684 PolarHBondContact O-N 2.71Å; G682-T685 WeakPolarHBondContact O-CB 3.44Å; G682-T685 PolarHBondContact O-N 3Å; G682-T685 VanDerWaalsContact O-N 3.16Å; G682-L686 WeakPolarHBondContact O-CG 3.44Å; G682-L686 PolarHBondContact O-N 3.15Å |
| 683 | G | 85.8 | Confident | 94 | Very high | 54 Ų | 54 | 44.4 Ų | 44.4 | 56% | 0.557 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -55.4 | -48.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T685 L686 A687 | G683-T685 VanDerWaalsContact C-N 3.32Å; G683-T685 PolarHBondContact O-N 3.16Å; G683-L686 PolarHBondContact O-N 2.97Å; G683-A687 PolarHBondContact O-N 3.25Å |
| 684 | D | 90.2 | Very high | 93.9 | Very high | 85 Ų | 85 | 39.2 Ų | 39.2 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.5 | -36.9 | -179.2 | -48.1 | -25.5 | 0 | 0 | 0 | 111.6 | F655 G682 A687 A688 | F655-D684 HydrophobicContact CE1-CB 4.37Å; F655-D684 WeakPolarHBondContact CZ-O 3.38Å; G682-D684 PolarHBondContact O-N 2.71Å; D684-A687 PolarHBondContact O-N 2.83Å; D684-A688 PolarHBondContact O-N 2.94Å |
| 685 | T | 94.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 174.3 | -38.9 | 0 | 0 | 0 | 0 | 111.3 | W648 G650 A680 G681 G682 G683 A687 A688 I689 | W648-T685 HydrophobicContact CB-CG2 4.4Å; W648-T685 HydrophobicContact CD2-CG2 3.37Å; W648-T685 HydrophobicContact CE3-CG2 3.75Å; W648-T685 HydrophobicContact CG-CG2 3.69Å; W648-T685 HydrophobicContact CH2-CG2 4.31Å; W648-T685 HydrophobicContact CZ2-CG2 3.97Å; W648-T685 HydrophobicContact CZ3-CG2 4.22Å; G650-T685 PolarHBondContact N-OG1 2.67Å; A680-T685 HydrophobicContact CB-CG2 4.04Å; G681-T685 WeakPolarHBondContact O-CB 3.4Å; G681-T685 PolarHBondContact O-OG1 3.42Å; G682-T685 WeakPolarHBondContact O-CB 3.44Å; G682-T685 PolarHBondContact O-N 3Å; G682-T685 VanDerWaalsContact O-N 3.16Å; G683-T685 VanDerWaalsContact C-N 3.32Å; G683-T685 PolarHBondContact O-N 3.16Å; T685-A687 VanDerWaalsContact C-N 3.35Å; T685-A688 PolarHBondContact O-N 3.17Å; T685-I689 HydrophobicContact CG2-CD1 4.35Å; T685-I689 WeakPolarHBondContact O-CG1 3.45Å; T685-I689 PolarHBondContact O-N 3.25Å |
| 686 | L | 91.2 | Very high | 93.4 | Very high | 50 Ų | 50 | 37.9 Ų | 37.9 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.4 | -38.8 | 178.7 | -63 | -179.4 | 0 | 0 | 0 | 111.6 | G682 G683 A688 I689 D690 I701 | G682-L686 WeakPolarHBondContact O-CG 3.44Å; G682-L686 PolarHBondContact O-N 3.15Å; G683-L686 PolarHBondContact O-N 2.97Å; L686-A688 VanDerWaalsContact C-N 3.34Å; L686-I689 HydrophobicContact CD2-CD1 4.44Å; L686-I689 PolarHBondContact O-N 2.82Å; L686-D690 WeakPolarHBondContact O-CB 3.47Å; L686-D690 PolarHBondContact O-N 2.92Å; L686-I701 HydrophobicContact CD2-CG2 3.1Å |
| 687 | A | 90 | Very high | 93.4 | Very high | 48 Ų | 48 | 42.3 Ų | 42.3 | 40% | 0.397 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F655 G683 D684 T685 L691 | F655-A687 HydrophobicContact CE2-CB 4.3Å; F655-A687 HydrophobicContact CZ-CB 4.02Å; G683-A687 PolarHBondContact O-N 3.25Å; D684-A687 PolarHBondContact O-N 2.83Å; T685-A687 VanDerWaalsContact C-N 3.35Å; A687-L691 VanDerWaalsContact O-CB 3.24Å; A687-L691 WeakPolarHBondContact O-CB 3.45Å; A687-L691 PolarHBondContact O-N 3.1Å |
| 688 | A | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W648 F655 T664 D684 T685 L686 D690 L691 F692 | W648-A688 HydrophobicContact CH2-CB 4.01Å; W648-A688 HydrophobicContact CZ2-CB 4.01Å; F655-A688 HydrophobicContact CD2-CB 4.44Å; F655-A688 HydrophobicContact CE1-CB 4.48Å; F655-A688 HydrophobicContact CE2-CB 4.14Å; F655-A688 HydrophobicContact CZ-CB 4.16Å; T664-A688 HydrophobicContact CG2-CB 4.2Å; D684-A688 PolarHBondContact O-N 2.94Å; T685-A688 PolarHBondContact O-N 3.17Å; L686-A688 VanDerWaalsContact C-N 3.34Å; A688-D690 VanDerWaalsContact C-N 3.33Å; A688-D690 PolarHBondContact O-N 3.05Å; A688-L691 PolarHBondContact O-N 3.48Å; A688-F692 HydrophobicContact CB-CD2 4.3Å; A688-F692 HydrophobicContact CB-CE2 4.1Å; A688-F692 WeakPolarHBondContact O-CD2 3.38Å; A688-F692 PolarHBondContact O-N 2.78Å |
| 689 | I | 94.1 | Very high | 93.2 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 177 | -74.1 | 166.4 | 0 | 0 | 0 | 111.8 | W648 A680 T685 L686 G693 I694 A695 I698 I701 | W648-I689 HydrophobicContact CE3-CD1 4.15Å; W648-I689 HydrophobicContact CE3-CG1 4.16Å; W648-I689 HydrophobicContact CH2-CG1 3.81Å; W648-I689 HydrophobicContact CZ3-CD1 3.81Å; W648-I689 HydrophobicContact CZ3-CG1 3.32Å; A680-I689 HydrophobicContact CB-CD1 3.49Å; A680-I689 VanDerWaalsContact CB-CD1 3.49Å; T685-I689 HydrophobicContact CG2-CD1 4.35Å; T685-I689 WeakPolarHBondContact O-CG1 3.45Å; T685-I689 PolarHBondContact O-N 3.25Å; L686-I689 HydrophobicContact CD2-CD1 4.44Å; L686-I689 PolarHBondContact O-N 2.82Å; I689-G693 PolarHBondContact O-N 3.28Å; I689-I694 HydrophobicContact CB-CG1 4.4Å; I689-I694 HydrophobicContact CG1-CD1 4.42Å; I689-I694 HydrophobicContact CG1-CG1 4.34Å; I689-I694 HydrophobicContact CG2-CG1 4.22Å; I689-I694 PolarHBondContact O-N 2.63Å; I689-A695 HydrophobicContact CG2-CB 3.69Å; I689-I698 HydrophobicContact CD1-CG1 4.2Å; I689-I698 HydrophobicContact CG1-CG1 4.43Å; I689-I701 HydrophobicContact CD1-CD1 4.48Å; I689-I701 HydrophobicContact CG2-CD1 4.1Å |
| 690 | D | 90.9 | Very high | 93 | Very high | 138 Ų | 138 | 46.5 Ų | 46.5 | 74% | 0.738 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65.9 | -47.7 | 178.1 | -174.3 | 72.1 | 0 | 0 | 0 | 111.3 | L686 A688 F692 G693 | L686-D690 WeakPolarHBondContact O-CB 3.47Å; L686-D690 PolarHBondContact O-N 2.92Å; A688-D690 VanDerWaalsContact C-N 3.33Å; A688-D690 PolarHBondContact O-N 3.05Å; D690-F692 VanDerWaalsContact C-N 3.3Å; D690-F692 PolarHBondContact O-N 3.38Å; D690-G693 PolarHBondContact O-N 3.31Å; D690-G693 VanDerWaalsContact O-N 3.13Å |
| 691 | L | 94.6 | Very high | 92.8 | Very high | 81 Ų | 81 | 49 Ų | 49 | 42% | 0.424 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.8 | -39.6 | -179.7 | -179.1 | 64.9 | 0 | 0 | 0 | 112.9 | F655 A687 A688 | F655-L691 HydrophobicContact CD2-CD2 3.71Å; F655-L691 HydrophobicContact CE2-CD2 4.19Å; A687-L691 VanDerWaalsContact O-CB 3.24Å; A687-L691 WeakPolarHBondContact O-CB 3.45Å; A687-L691 PolarHBondContact O-N 3.1Å; A688-L691 PolarHBondContact O-N 3.48Å |
| 692 | F | 96.8 | Very high | 92.7 | Very high | 34 Ų | 34 | 49 Ų | 49 | 15% | 0.149 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -92.2 | -3.2 | -179.5 | -57.3 | -55.6 | 0 | 0 | 0 | 113.6 | R661 T664 E665 A668 A688 D690 I694 | R661-F692 HydrophobicContact CG-CE1 3.74Å; R661-F692 HydrophobicContact CG-CZ 3.61Å; T664-F692 HydrophobicContact CG2-CE2 3.95Å; E665-F692 HydrophobicContact CB-CD1 4.16Å; E665-F692 HydrophobicContact CB-CE1 3.58Å; E665-F692 HydrophobicContact CB-CZ 3.83Å; E665-F692 HydrophobicContact CG-CD1 4.01Å; E665-F692 HydrophobicContact CG-CE1 3.87Å; A668-F692 HydrophobicContact CB-CD2 3.65Å; A668-F692 HydrophobicContact CB-CE2 4.23Å; A668-F692 HydrophobicContact CB-CG 4.34Å; A688-F692 HydrophobicContact CB-CD2 4.3Å; A688-F692 HydrophobicContact CB-CE2 4.1Å; A688-F692 WeakPolarHBondContact O-CD2 3.38Å; A688-F692 PolarHBondContact O-N 2.78Å; D690-F692 VanDerWaalsContact C-N 3.3Å; D690-F692 PolarHBondContact O-N 3.38Å; F692-I694 HydrophobicContact CB-CG2 4.45Å |
| 693 | G | 95.1 | Very high | 92.4 | Very high | 55 Ų | 55 | 52.2 Ų | 52.2 | 57% | 0.567 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 40.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I689 D690 | I689-G693 PolarHBondContact O-N 3.28Å; D690-G693 PolarHBondContact O-N 3.31Å; D690-G693 VanDerWaalsContact O-N 3.13Å |
| 694 | I | 96.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | trans | -112.9 | 12.8 | -175.9 | 61 | 167.6 | 0 | 0 | 0 | 113.9 | W648 A668 A672 I689 F692 D696 K697 I698 | W648-I694 HydrophobicContact CH2-CD1 4.45Å; W648-I694 HydrophobicContact CZ3-CD1 4.06Å; A668-I694 HydrophobicContact CB-CD1 3.7Å; A668-I694 VanDerWaalsContact O-CD1 3.3Å; A668-I694 WeakPolarHBondContact O-CD1 3.33Å; A672-I694 HydrophobicContact CB-CB 3.92Å; A672-I694 HydrophobicContact CB-CD1 4.17Å; A672-I694 HydrophobicContact CB-CG2 3.86Å; I689-I694 HydrophobicContact CB-CG1 4.4Å; I689-I694 HydrophobicContact CG1-CD1 4.42Å; I689-I694 HydrophobicContact CG1-CG1 4.34Å; I689-I694 HydrophobicContact CG2-CG1 4.22Å; I689-I694 PolarHBondContact O-N 2.63Å; F692-I694 HydrophobicContact CB-CG2 4.45Å; I694-D696 VanDerWaalsContact C-N 3.27Å; I694-D696 PolarHBondContact O-N 3.1Å; I694-K697 PolarHBondContact O-N 3.27Å; I694-I698 HydrophobicContact CD1-CD1 4.26Å; I694-I698 PolarHBondContact O-N 3.41Å | ||
| 695 | A | 91.7 | Very high | 91.8 | Very high | 50 Ų | 50 | 47.1 Ų | 47.1 | 41% | 0.413 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -59.3 | -34.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I689 K697 I701 | I689-A695 HydrophobicContact CG2-CB 3.69Å; A695-K697 VanDerWaalsContact C-N 3.26Å; A695-K697 PolarHBondContact O-N 2.91Å; A695-I701 HydrophobicContact CB-CD1 3.98Å; A695-I701 WeakPolarHBondContact O-CD1 3.36Å |
| 696 | D | 92.6 | Very high | 91.3 | Very high | 140 Ų | 140 | 48.9 Ų | 48.9 | 75% | 0.749 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -74.4 | -14.6 | 178.2 | 62.5 | -51.3 | 0 | 0 | 0 | 113.7 | I694 | I694-D696 VanDerWaalsContact C-N 3.27Å; I694-D696 PolarHBondContact O-N 3.1Å |
| 697 | K | 96.6 | Very high | 91.2 | Very high | 97 Ų | 97 | 46.5 Ų | 46.5 | 42% | 0.422 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -97.3 | -9.6 | 178.8 | -64.5 | -177.6 | 169 | -168.1 | 0 | 113.7 | A672 D673 I694 A695 | A672-K697 HydrophobicContact CB-CB 3.85Å; A672-K697 HydrophobicContact CB-CD 3.63Å; A672-K697 HydrophobicContact CB-CG 4.44Å; D673-K697 IonicContact OD1-NZ 3.35Å; D673-K697 PolarHBondContact OD1-NZ 3.21Å; I694-K697 PolarHBondContact O-N 3.27Å; A695-K697 VanDerWaalsContact C-N 3.26Å; A695-K697 PolarHBondContact O-N 2.91Å |
| 698 | I | 96.2 | Very high | 91.2 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -88.2 | 128.5 | 175.6 | -56.1 | -55.6 | 0 | 0 | 0 | 109.4 | I671 S678 A680 I689 I694 Y700 I701 | I671-I698 HydrophobicContact CG2-CD1 3.67Å; S678-I698 WeakPolarHBondContact O-CG2 3.08Å; A680-I698 HydrophobicContact CB-CG2 3.98Å; I689-I698 HydrophobicContact CD1-CG1 4.2Å; I689-I698 HydrophobicContact CG1-CG1 4.43Å; I694-I698 HydrophobicContact CD1-CD1 4.26Å; I694-I698 PolarHBondContact O-N 3.41Å; I698-Y700 VanDerWaalsContact C-N 3.31Å; I698-Y700 WeakPolarHBondContact CG2-O 3.43Å; I698-Y700 PolarHBondContact O-N 3.18Å; I698-I701 HydrophobicContact CB-CD1 4.13Å; I698-I701 HydrophobicContact CB-CG1 3.86Å; I698-I701 HydrophobicContact CG2-CG1 3.76Å |
| 699 | S | 94.8 | Very high | 90.9 | Very high | 65 Ų | 65 | 46.3 Ų | 46.3 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -63.2 | -37.5 | -174.9 | -55.2 | 0 | 0 | 0 | 0 | 112.7 | S678 | S678-S699 PolarHBondContact N-OG 3.25Å; S678-S699 VanDerWaalsContact N-OG 3.12Å; S678-S699 CarbonylContact O-C 3.54Å; S678-S699 WeakPolarHBondContact O-CA 3.45Å; S678-S699 VanDerWaalsContact O-CB 3.24Å; S678-S699 WeakPolarHBondContact O-CB 3.39Å; S678-S699 PolarHBondContact O-N 3.34Å; S678-S699 VanDerWaalsContact O-N 3.1Å; S678-S699 PolarHBondContact OG-N 3.06Å; S678-S699 PolarHBondContact OG-OG 3.25Å |
| 700 | Y | 92.9 | Very high | 90.6 | Very high | 46 Ų | 46 | 48.7 Ų | 48.7 | 18% | 0.18 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 130.7 | 175.6 | -165.5 | -89.8 | 0 | 0 | 0 | 112.2 | A511 E512 A515 S678 I679 A680 I698 | A511-Y700 HydrophobicContact CB-CE2 4.37Å; E512-Y700 WeakPolarHBondContact CA-OH 3.48Å; E512-Y700 HydrophobicContact CB-CE1 4.44Å; E512-Y700 VanDerWaalsContact CB-OH 3.26Å; E512-Y700 WeakPolarHBondContact CB-OH 3.44Å; E512-Y700 HydrophobicContact CG-CE1 4.22Å; E512-Y700 PolarHBondContact N-OH 3.35Å; E512-Y700 PolarHBondContact OE2-OH 3.33Å; A515-Y700 HydrophobicContact CB-CD1 3.76Å; A515-Y700 HydrophobicContact CB-CD2 3.63Å; A515-Y700 HydrophobicContact CB-CE1 4.14Å; A515-Y700 HydrophobicContact CB-CE2 4.02Å; A515-Y700 HydrophobicContact CB-CG 3.49Å; A515-Y700 VanDerWaalsContact CB-CG 3.49Å; S678-Y700 PolarHBondContact O-N 3.41Å; I679-Y700 WeakPolarHBondContact CA-O 3.21Å; I679-Y700 HydrophobicContact CD1-CD1 3.93Å; I679-Y700 HydrophobicContact CG1-CD1 4.05Å; A680-Y700 PolarHBondContact N-O 3.02Å; I698-Y700 VanDerWaalsContact C-N 3.31Å; I698-Y700 WeakPolarHBondContact CG2-O 3.43Å; I698-Y700 PolarHBondContact O-N 3.18Å |
| 701 | I | 91.5 | Very high | 90.5 | Very high | 53 Ų | 53 | 42.4 Ų | 42.4 | 27% | 0.272 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 106.9 | 179.8 | -61.8 | 178.8 | 0 | 0 | 0 | 109.2 | L686 I689 A695 I698 | L686-I701 HydrophobicContact CD2-CG2 3.1Å; I689-I701 HydrophobicContact CD1-CD1 4.48Å; I689-I701 HydrophobicContact CG2-CD1 4.1Å; A695-I701 HydrophobicContact CB-CD1 3.98Å; A695-I701 WeakPolarHBondContact O-CD1 3.36Å; I698-I701 HydrophobicContact CB-CD1 4.13Å; I698-I701 HydrophobicContact CB-CG1 3.86Å; I698-I701 HydrophobicContact CG2-CG1 3.76Å |
| 702 | S | 89.7 | Confident | 90.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 126.6 | 176.5 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | E512 A680 G704 F708 | E512-S702 WeakPolarHBondContact OE1-CA 3.43Å; E512-S702 WeakPolarHBondContact OE1-CB 3.4Å; E512-S702 PolarHBondContact OE1-OG 2.97Å; A680-S702 WeakPolarHBondContact O-CB 3.48Å; A680-S702 PolarHBondContact O-N 3.43Å; S702-G704 PolarHBondContact OG-N 3.25Å; S702-G704 VanDerWaalsContact OG-N 3.15Å; S702-F708 WeakPolarHBondContact OG-CD2 3.39Å |
| 703 | T | 80.9 | Confident | 89.7 | Confident | 78 Ų | 78 | 38.5 Ų | 38.5 | 48% | 0.479 | 24% | 0.239 | S | C | . | . | trans | -98.2 | 10 | 168.5 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | G705 | T703-G705 VanDerWaalsContact C-N 3.33Å; T703-G705 PolarHBondContact O-N 2.8Å | ||
| 704 | G | 80.7 | Confident | 89.1 | Confident | 4 Ų | 4 | 38 Ų | 38 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | trans | -72.9 | -17.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | S702 G706 A707 | S702-G704 PolarHBondContact OG-N 3.25Å; S702-G704 VanDerWaalsContact OG-N 3.15Å; G704-G706 PolarHBondContact O-N 3.03Å; G704-A707 WeakPolarHBondContact O-CB 3.47Å; G704-A707 PolarHBondContact O-N 3.42Å | ||
| 705 | G | 82.6 | Confident | 88.4 | Confident | 29 Ų | 29 | 42.6 Ų | 42.6 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | -110.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T703 A707 F708 L709 | T703-G705 VanDerWaalsContact C-N 3.33Å; T703-G705 PolarHBondContact O-N 2.8Å; G705-A707 VanDerWaalsContact C-N 3.31Å; G705-A707 PolarHBondContact O-N 3.03Å; G705-F708 WeakPolarHBondContact O-CB 3.49Å; G705-F708 PolarHBondContact O-N 3.41Å; G705-L709 PolarHBondContact O-N 3.22Å |
| 706 | G | 82.9 | Confident | 88.1 | Confident | 37 Ų | 37 | 45.6 Ų | 45.6 | 38% | 0.381 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.7 | -33.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G704 F708 L709 E710 | G704-G706 PolarHBondContact O-N 3.03Å; G706-F708 VanDerWaalsContact C-N 3.33Å; G706-F708 PolarHBondContact O-N 2.81Å; G706-L709 PolarHBondContact O-N 3.33Å; G706-E710 WeakPolarHBondContact O-CG 3.14Å; G706-E710 PolarHBondContact O-N 3.4Å |
| 707 | A | 89.8 | Confident | 88 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.1 | -39.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | F483 H487 G704 G705 F711 | F483-A707 HydrophobicContact CD1-CB 4.04Å; F483-A707 HydrophobicContact CE1-CB 3.8Å; F483-A707 HydrophobicContact CZ-CB 4.1Å; F483-A707 WeakPolarHBondContact O-CB 3.49Å; H487-A707 HydrophobicContact CB-CB 4.3Å; H487-A707 WeakPolarHBondContact ND1-CB 3.36Å; G704-A707 WeakPolarHBondContact O-CB 3.47Å; G704-A707 PolarHBondContact O-N 3.42Å; G705-A707 VanDerWaalsContact C-N 3.31Å; G705-A707 PolarHBondContact O-N 3.03Å; A707-F711 VanDerWaalsContact O-CB 3.3Å; A707-F711 WeakPolarHBondContact O-CB 3.48Å; A707-F711 PolarHBondContact O-N 3.24Å |
| 708 | F | 90.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.2 | -47 | 175.4 | 174.9 | -91.3 | 0 | 0 | 0 | 110.6 | F483 L516 L647 N649 I679 S702 G705 G706 F711 V712 | F483-F708 HydrophobicContact CE1-CB 4.2Å; L516-F708 HydrophobicContact CD2-CD2 3.68Å; L516-F708 HydrophobicContact CD2-CE2 3.52Å; L516-F708 HydrophobicContact CD2-CZ 4.48Å; L647-F708 HydrophobicContact CD2-CZ 4.37Å; L647-F708 HydrophobicContact CG-CZ 4.34Å; N649-F708 HydrophobicContact CB-CE1 4.39Å; I679-F708 HydrophobicContact CD1-CE2 4.09Å; I679-F708 HydrophobicContact CG1-CE2 4.09Å; S702-F708 WeakPolarHBondContact OG-CD2 3.39Å; G705-F708 WeakPolarHBondContact O-CB 3.49Å; G705-F708 PolarHBondContact O-N 3.41Å; G706-F708 VanDerWaalsContact C-N 3.33Å; G706-F708 PolarHBondContact O-N 2.81Å; F708-F711 PolarHBondContact O-N 3.03Å; F708-V712 HydrophobicContact CD1-CG2 4.31Å; F708-V712 HydrophobicContact CE1-CG2 3.98Å; F708-V712 HydrophobicContact CE2-CG2 4.46Å; F708-V712 HydrophobicContact CZ-CG2 4.06Å; F708-V712 VanDerWaalsContact O-CG2 3.26Å; F708-V712 WeakPolarHBondContact O-CG2 3.19Å; F708-V712 PolarHBondContact O-N 3.09Å |
| 709 | L | 87.4 | Confident | 87.8 | Confident | 43 Ų | 43 | 35.5 Ų | 35.5 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.7 | -50.2 | 178.2 | -69.5 | 175.9 | 0 | 0 | 0 | 112 | V542 N649 G705 G706 F711 V712 E713 | V542-L709 HydrophobicContact CG2-CD2 4.15Å; N649-L709 WeakPolarHBondContact OD1-CD2 3.49Å; G705-L709 PolarHBondContact O-N 3.22Å; G706-L709 PolarHBondContact O-N 3.33Å; L709-F711 PolarHBondContact O-N 3.49Å; L709-V712 PolarHBondContact O-N 3.25Å; L709-V712 VanDerWaalsContact O-N 3.09Å; L709-E713 VanDerWaalsContact O-CG 3.25Å; L709-E713 WeakPolarHBondContact O-CG 3.45Å; L709-E713 PolarHBondContact O-N 3.4Å |
| 710 | E | 88.1 | Confident | 87.7 | Confident | 54 Ų | 54 | 32.7 Ų | 32.7 | 25% | 0.252 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.7 | -35.7 | 178.9 | -73.1 | -169 | -140.9 | 0 | 0 | 112.2 | H487 G706 E713 G714 K715 L717 | H487-E710 HydrophobicContact CB-CB 4.46Å; H487-E710 IonicContact CD2-OE1 2.82Å; H487-E710 PolarHBondContact CD2-OE1 2.89Å; H487-E710 IonicContact CG-OE1 3.23Å; G706-E710 WeakPolarHBondContact O-CG 3.14Å; G706-E710 PolarHBondContact O-N 3.4Å; E710-E713 WeakPolarHBondContact O-CB 3.15Å; E710-E713 PolarHBondContact O-N 2.98Å; E710-G714 PolarHBondContact O-N 3.4Å; E710-K715 HydrophobicContact CB-CB 4.36Å; E710-K715 HydrophobicContact CB-CD 4.22Å; E710-K715 HydrophobicContact CG-CD 4.09Å; E710-K715 WeakPolarHBondContact O-CB 3.34Å; E710-K715 PolarHBondContact O-N 3.44Å; E710-L717 HydrophobicContact CB-CD2 3.89Å |
| 711 | F | 88.5 | Confident | 87.7 | Confident | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.9 | -46.5 | 173.5 | -168 | -85.8 | 0 | 0 | 0 | 111.9 | F341 M343 F483 L513 L516 L520 A707 F708 L709 E713 G714 L717 | F341-F711 HydrophobicContact CD1-CD1 4.32Å; F341-F711 AromaticContact CD1-CE1 3.39Å; F341-F711 HydrophobicContact CD1-CE1 3.39Å; F341-F711 AromaticContact CD1-CE2 3.96Å; F341-F711 HydrophobicContact CD1-CE2 3.96Å; F341-F711 AromaticContact CD1-CZ 3.2Å; F341-F711 HydrophobicContact CD1-CZ 3.2Å; F341-F711 AromaticContact CE1-CD1 3.44Å; F341-F711 HydrophobicContact CE1-CD1 3.44Å; F341-F711 VanDerWaalsContact CE1-CD1 3.44Å; F341-F711 HydrophobicContact CE1-CD2 4.13Å; F341-F711 AromaticContact CE1-CE1 2.92Å; F341-F711 HydrophobicContact CE1-CE1 2.92Å; F341-F711 AromaticContact CE1-CE2 3.72Å; F341-F711 HydrophobicContact CE1-CE2 3.72Å; F341-F711 HydrophobicContact CE1-CG 4.04Å; F341-F711 AromaticContact CE1-CZ 3.13Å; F341-F711 HydrophobicContact CE1-CZ 3.13Å; F341-F711 HydrophobicContact CZ-CD1 4.07Å; F341-F711 AromaticContact CZ-CE1 3.84Å; F341-F711 HydrophobicContact CZ-CE1 3.84Å; F341-F711 HydrophobicContact CZ-CZ 4.37Å; F341-F711 WeakPolarHBondContact CZ-O 3.17Å; M343-F711 HydrophobicContact CE-CE2 3.63Å; M343-F711 HydrophobicContact CE-CZ 3.43Å; M343-F711 VanDerWaalsContact CE-CZ 3.43Å; M343-F711 HydrophobicContact SD-CE2 3.74Å; M343-F711 HydrophobicContact SD-CZ 4.17Å; F483-F711 HydrophobicContact CE2-CD2 4.4Å; F483-F711 HydrophobicContact CZ-CB 4.21Å; L513-F711 HydrophobicContact CD2-CD2 4.47Å; L513-F711 HydrophobicContact CD2-CE2 3.86Å; L513-F711 HydrophobicContact CD2-CZ 4.48Å; L516-F711 HydrophobicContact CB-CD1 3.79Å; L516-F711 HydrophobicContact CB-CE1 3.31Å; L516-F711 HydrophobicContact CB-CZ 3.91Å; L516-F711 HydrophobicContact CD1-CB 4.39Å; L516-F711 HydrophobicContact CD1-CD1 3.69Å; L516-F711 HydrophobicContact CD1-CD2 4.41Å; L516-F711 HydrophobicContact CD1-CE1 3.95Å; L516-F711 HydrophobicContact CD1-CG 3.92Å; L516-F711 HydrophobicContact CD1-CZ 4.37Å; L516-F711 HydrophobicContact CD2-CD1 3.92Å; L516-F711 HydrophobicContact CD2-CE1 4.29Å; L516-F711 HydrophobicContact CG-CD1 4.04Å; L516-F711 HydrophobicContact CG-CE1 4.06Å; L520-F711 HydrophobicContact CD1-CD1 3.83Å; L520-F711 HydrophobicContact CD1-CE1 3.89Å; A707-F711 VanDerWaalsContact O-CB 3.3Å; A707-F711 WeakPolarHBondContact O-CB 3.48Å; A707-F711 PolarHBondContact O-N 3.24Å; F708-F711 PolarHBondContact O-N 3.03Å; L709-F711 PolarHBondContact O-N 3.49Å; F711-E713 VanDerWaalsContact C-N 3.25Å; F711-E713 PolarHBondContact O-N 2.5Å; F711-G714 PolarHBondContact O-N 3.41Å; F711-L717 HydrophobicContact CB-CD1 4.23Å; F711-L717 HydrophobicContact CD2-CD1 3.77Å; F711-L717 HydrophobicContact CD2-CG 4.17Å; F711-L717 HydrophobicContact CG-CD1 4.5Å |
| 712 | V | 89.4 | Confident | 87.9 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -32.7 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | L516 L520 V542 S545 L546 L647 F708 L709 G714 | L516-V712 HydrophobicContact CD2-CG2 4.44Å; L520-V712 HydrophobicContact CD1-CG2 4.15Å; V542-V712 HydrophobicContact CG1-CG1 4.01Å; S545-V712 VanDerWaalsContact CB-O 3.22Å; S545-V712 WeakPolarHBondContact CB-O 3.43Å; S545-V712 PolarHBondContact OG-O 3.08Å; L546-V712 HydrophobicContact CD1-CG1 3.82Å; L546-V712 HydrophobicContact CD2-CG1 3.86Å; L546-V712 HydrophobicContact CG-CG1 3.77Å; L647-V712 HydrophobicContact CD1-CG2 4.07Å; F708-V712 HydrophobicContact CD1-CG2 4.31Å; F708-V712 HydrophobicContact CE1-CG2 3.98Å; F708-V712 HydrophobicContact CE2-CG2 4.46Å; F708-V712 HydrophobicContact CZ-CG2 4.06Å; F708-V712 VanDerWaalsContact O-CG2 3.26Å; F708-V712 WeakPolarHBondContact O-CG2 3.19Å; F708-V712 PolarHBondContact O-N 3.09Å; L709-V712 PolarHBondContact O-N 3.25Å; L709-V712 VanDerWaalsContact O-N 3.09Å; V712-G714 PolarHBondContact O-N 3.44Å; V712-G714 VanDerWaalsContact O-N 3.16Å |
| 713 | E | 85.5 | Confident | 88.2 | Confident | 33 Ų | 33 | 29.7 Ų | 29.7 | 15% | 0.154 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -8.5 | 172.5 | -70.7 | 169.6 | 178.7 | 0 | 0 | 113.4 | T541 V542 L709 E710 F711 K715 | T541-E713 HydrophobicContact CG2-CB 3.86Å; T541-E713 HydrophobicContact CG2-CG 3.86Å; V542-E713 HydrophobicContact CB-CG 4.43Å; V542-E713 HydrophobicContact CG2-CG 3.52Å; L709-E713 VanDerWaalsContact O-CG 3.25Å; L709-E713 WeakPolarHBondContact O-CG 3.45Å; L709-E713 PolarHBondContact O-N 3.4Å; E710-E713 WeakPolarHBondContact O-CB 3.15Å; E710-E713 PolarHBondContact O-N 2.98Å; F711-E713 VanDerWaalsContact C-N 3.25Å; F711-E713 PolarHBondContact O-N 2.5Å; E713-K715 VanDerWaalsContact C-N 3.3Å; E713-K715 HydrophobicContact CB-CD 4.45Å; E713-K715 HydrophobicContact CB-CG 4.19Å; E713-K715 WeakPolarHBondContact OE2-CD 3.28Å; E713-K715 WeakPolarHBondContact OE2-CE 3.49Å; E713-K715 IonicContact OE2-NZ 3.79Å; E713-K715 PolarHBondContact OE2-NZ 3.13Å |
| 714 | G | 82.1 | Confident | 88.6 | Confident | 45 Ų | 45 | 28.4 Ų | 28.4 | 46% | 0.464 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 19.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E710 F711 V712 | E710-G714 PolarHBondContact O-N 3.4Å; F711-G714 PolarHBondContact O-N 3.41Å; V712-G714 PolarHBondContact O-N 3.44Å; V712-G714 VanDerWaalsContact O-N 3.16Å |
| 715 | K | 82.4 | Confident | 89.1 | Confident | 100 Ų | 100 | 33.6 Ų | 33.6 | 44% | 0.435 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -77.7 | 147.3 | 175.7 | -67.7 | 176.8 | 176.2 | 158.7 | 0 | 110.9 | E710 E713 L717 | E710-K715 HydrophobicContact CB-CB 4.36Å; E710-K715 HydrophobicContact CB-CD 4.22Å; E710-K715 HydrophobicContact CG-CD 4.09Å; E710-K715 WeakPolarHBondContact O-CB 3.34Å; E710-K715 PolarHBondContact O-N 3.44Å; E713-K715 VanDerWaalsContact C-N 3.3Å; E713-K715 HydrophobicContact CB-CD 4.45Å; E713-K715 HydrophobicContact CB-CG 4.19Å; E713-K715 WeakPolarHBondContact OE2-CD 3.28Å; E713-K715 WeakPolarHBondContact OE2-CE 3.49Å; E713-K715 IonicContact OE2-NZ 3.79Å; E713-K715 PolarHBondContact OE2-NZ 3.13Å; K715-L717 PolarHBondContact O-N 3.36Å |
| 716 | V | 84.4 | Confident | 89.5 | Confident | 113 Ų | 113 | 35 Ų | 35 | 69% | 0.685 | 20% | 0.198 | S | C | * | . | P | Polyproline II helix | trans | -73.8 | 116.5 | 173.8 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | P718 A721 | V716-P718 WeakPolarHBondContact O-CD 3.35Å; V716-A721 HydrophobicContact CG1-CB 3.57Å |
| 717 | L | 90.7 | Very high | 89.8 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -79.7 | 117.3 | 174.3 | -56.2 | -169.5 | 0 | 0 | 0 | 109.5 | F483 A486 H487 E710 F711 K715 A719 V720 A721 | F483-L717 HydrophobicContact CD2-CD1 4.35Å; F483-L717 HydrophobicContact CE2-CD1 3.56Å; F483-L717 HydrophobicContact CZ-CD1 4.11Å; A486-L717 HydrophobicContact CB-CD1 4.22Å; H487-L717 HydrophobicContact CB-CD2 3.83Å; E710-L717 HydrophobicContact CB-CD2 3.89Å; F711-L717 HydrophobicContact CB-CD1 4.23Å; F711-L717 HydrophobicContact CD2-CD1 3.77Å; F711-L717 HydrophobicContact CD2-CG 4.17Å; F711-L717 HydrophobicContact CG-CD1 4.5Å; K715-L717 PolarHBondContact O-N 3.36Å; L717-A719 VanDerWaalsContact C-N 3.32Å; L717-A719 PolarHBondContact O-N 3.23Å; L717-V720 HydrophobicContact CB-CB 4.11Å; L717-V720 HydrophobicContact CB-CG2 3.87Å; L717-V720 HydrophobicContact CD1-CG2 4.14Å; L717-V720 PolarHBondContact O-N 3.08Å; L717-A721 PolarHBondContact O-N 2.9Å |
| 718 | P | 93.5 | Very high | 89.3 | Confident | 33 Ų | 33 | 41.1 Ų | 41.1 | 21% | 0.214 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -54 | -42.5 | -172.4 | -29.5 | 35.6 | 0 | 0 | 0 | 114.6 | A486 A489 H494 V716 V720 A721 M722 | A486-P718 WeakPolarHBondContact O-CD 3.45Å; A489-P718 HydrophobicContact CB-CB 3.95Å; A489-P718 HydrophobicContact CB-CG 4.31Å; H494-P718 PolarHBondContact CD2-O 3.37Å; H494-P718 VanDerWaalsContact CD2-O 3.3Å; V716-P718 WeakPolarHBondContact O-CD 3.35Å; P718-V720 VanDerWaalsContact C-N 3.33Å; P718-V720 PolarHBondContact O-N 2.86Å; P718-A721 PolarHBondContact O-N 3.21Å; P718-M722 WeakPolarHBondContact O-CB 3.22Å; P718-M722 PolarHBondContact O-N 3.38Å |
| 719 | A | 95.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | M480 A486 T493 L717 L723 | M480-A719 HydrophobicContact CE-CB 3.98Å; M480-A719 HydrophobicContact CG-CB 4.39Å; A486-A719 HydrophobicContact CB-CB 3.96Å; A486-A719 WeakPolarHBondContact O-CB 3.42Å; A486-A719 PolarHBondContact O-N 3.33Å; A486-A719 VanDerWaalsContact O-N 3.12Å; T493-A719 VanDerWaalsContact O-CB 3.29Å; T493-A719 WeakPolarHBondContact O-CB 3.39Å; L717-A719 VanDerWaalsContact C-N 3.32Å; L717-A719 PolarHBondContact O-N 3.23Å; A719-L723 WeakPolarHBondContact O-CG 3.47Å; A719-L723 PolarHBondContact O-N 3.03Å |
| 720 | V | 93.7 | Very high | 88.1 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.03 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.7 | -47.3 | 178.1 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | M343 A486 L513 L717 P718 M722 L723 E724 | M343-V720 HydrophobicContact CG-CG1 4.03Å; M343-V720 HydrophobicContact SD-CG1 3.46Å; M343-V720 WeakPolarHBondContact SD-CG1 3.05Å; A486-V720 HydrophobicContact CB-CG2 4.32Å; L513-V720 HydrophobicContact CD1-CG1 4.1Å; L513-V720 HydrophobicContact CD1-CG2 4.25Å; L513-V720 HydrophobicContact CD2-CG2 4.06Å; L717-V720 HydrophobicContact CB-CB 4.11Å; L717-V720 HydrophobicContact CB-CG2 3.87Å; L717-V720 HydrophobicContact CD1-CG2 4.14Å; L717-V720 PolarHBondContact O-N 3.08Å; P718-V720 VanDerWaalsContact C-N 3.33Å; P718-V720 PolarHBondContact O-N 2.86Å; V720-M722 VanDerWaalsContact C-N 3.27Å; V720-M722 PolarHBondContact O-N 3.3Å; V720-L723 WeakPolarHBondContact O-CB 3.47Å; V720-L723 PolarHBondContact O-N 3.48Å; V720-E724 HydrophobicContact CG1-CG 4.41Å; V720-E724 WeakPolarHBondContact O-CG 3.03Å; V720-E724 PolarHBondContact O-N 2.95Å |
| 721 | A | 91.4 | Very high | 88.1 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 21% | 0.207 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.3 | -41.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | V716 L717 P718 L723 E724 E725 | V716-A721 HydrophobicContact CG1-CB 3.57Å; L717-A721 PolarHBondContact O-N 2.9Å; P718-A721 PolarHBondContact O-N 3.21Å; A721-L723 VanDerWaalsContact C-N 3.35Å; A721-L723 PolarHBondContact O-N 3.47Å; A721-E724 PolarHBondContact O-N 2.92Å; A721-E725 WeakPolarHBondContact O-CG 3.21Å; A721-E725 PolarHBondContact O-N 3.36Å |
| 722 | M | 96.4 | Very high | 88.1 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 5% | 0.054 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 174 | 171.2 | -75.7 | -64.5 | 0 | 0 | 111.8 | F478 G497 K498 A503 P718 V720 E725 R726 | F478-M722 HydrophobicContact CD1-CE 4.48Å; F478-M722 HydrophobicContact CE1-CE 3.82Å; G497-M722 WeakPolarHBondContact CA-SD 3.44Å; G497-M722 VanDerWaalsContact O-SD 3.38Å; K498-M722 HydrophobicContact CG-CG 4.2Å; A503-M722 HydrophobicContact CB-SD 4.23Å; P718-M722 WeakPolarHBondContact O-CB 3.22Å; P718-M722 PolarHBondContact O-N 3.38Å; V720-M722 VanDerWaalsContact C-N 3.27Å; V720-M722 PolarHBondContact O-N 3.3Å; M722-E725 PolarHBondContact O-N 2.92Å; M722-R726 VanDerWaalsContact O-CG 3.27Å; M722-R726 WeakPolarHBondContact O-CG 3.4Å; M722-R726 PolarHBondContact O-N 3.16Å; M722-R726 HydrophobicContact SD-CG 4.02Å |
| 723 | L | 95.8 | Very high | 88 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66 | -39.1 | 178.1 | -68.3 | 177.7 | 0 | 0 | 0 | 112.4 | V345 M480 A503 A505 L509 A719 V720 A721 R726 A727 | V345-L723 HydrophobicContact CB-CB 4.13Å; V345-L723 HydrophobicContact CG1-CB 3.61Å; V345-L723 HydrophobicContact CG1-CD1 4.47Å; M480-L723 HydrophobicContact CB-CD1 4.16Å; A503-L723 HydrophobicContact CB-CD2 3.9Å; A505-L723 HydrophobicContact CB-CD1 4.01Å; L509-L723 HydrophobicContact CD2-CD1 3.81Å; A719-L723 WeakPolarHBondContact O-CG 3.47Å; A719-L723 PolarHBondContact O-N 3.03Å; V720-L723 WeakPolarHBondContact O-CB 3.47Å; V720-L723 PolarHBondContact O-N 3.48Å; A721-L723 VanDerWaalsContact C-N 3.35Å; A721-L723 PolarHBondContact O-N 3.47Å; L723-R726 PolarHBondContact O-N 3.02Å; L723-A727 WeakPolarHBondContact O-CB 3.39Å; L723-A727 PolarHBondContact O-N 3.43Å |
| 724 | E | 89.8 | Confident | 88.1 | Confident | 50 Ų | 50 | 57.9 Ų | 57.9 | 23% | 0.234 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 175.1 | -68.1 | 177.8 | 128.1 | 0 | 0 | 110.9 | M343 V345 V720 A721 R726 A727 K728 | M343-E724 VanDerWaalsContact CA-OE1 3.24Å; M343-E724 WeakPolarHBondContact CA-OE1 3.36Å; M343-E724 WeakPolarHBondContact CG-OE1 3.39Å; V345-E724 HydrophobicContact CG1-CG 3.86Å; V720-E724 HydrophobicContact CG1-CG 4.41Å; V720-E724 WeakPolarHBondContact O-CG 3.03Å; V720-E724 PolarHBondContact O-N 2.95Å; A721-E724 PolarHBondContact O-N 2.92Å; E724-R726 VanDerWaalsContact C-N 3.3Å; E724-R726 PolarHBondContact O-N 3.36Å; E724-A727 PolarHBondContact O-N 3.13Å; E724-A727 VanDerWaalsContact O-N 3.12Å; E724-K728 WeakPolarHBondContact O-CG 3.43Å; E724-K728 PolarHBondContact O-N 3.29Å |
| 725 | E | 90.2 | Very high | 88.6 | Confident | 114 Ų | 114 | 58.8 Ų | 58.8 | 53% | 0.533 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 175.4 | -72.5 | -56 | 135 | 0 | 0 | 112.1 | A721 M722 A727 K728 | A721-E725 WeakPolarHBondContact O-CG 3.21Å; A721-E725 PolarHBondContact O-N 3.36Å; M722-E725 PolarHBondContact O-N 2.92Å; E725-A727 VanDerWaalsContact C-N 3.28Å; E725-A727 PolarHBondContact O-N 2.67Å; E725-K728 PolarHBondContact O-N 3.24Å; E725-K728 IonicContact OE1-NZ 2.77Å; E725-K728 PolarHBondContact OE1-NZ 3.46Å; E725-K728 IonicContact OE2-NZ 3.75Å |
| 726 | R | 90.7 | Very high | 89 | Confident | 57 Ų | 57 | 55.9 Ų | 55.9 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.6 | -24.5 | 176.4 | -69.5 | -58.5 | -53.7 | -87.2 | 2.7 | 113.5 | G497 A500 D501 A503 M722 L723 E724 | G497-R726 WeakPolarHBondContact O-CG 3.48Å; G497-R726 PolarHBondContact O-NH1 3.49Å; A500-R726 VanDerWaalsContact O-CZ 3.24Å; A500-R726 PolarHBondContact O-NH1 3.47Å; A500-R726 PolarHBondContact O-NH2 3.35Å; D501-R726 PolarHBondContact O-NH2 3.06Å; A503-R726 HydrophobicContact CB-CB 4.23Å; A503-R726 HydrophobicContact CB-CG 4.08Å; M722-R726 VanDerWaalsContact O-CG 3.27Å; M722-R726 WeakPolarHBondContact O-CG 3.4Å; M722-R726 PolarHBondContact O-N 3.16Å; M722-R726 HydrophobicContact SD-CG 4.02Å; L723-R726 PolarHBondContact O-N 3.02Å; E724-R726 VanDerWaalsContact C-N 3.3Å; E724-R726 PolarHBondContact O-N 3.36Å |
| 727 | A | 89.3 | Confident | 89.3 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 20% | 0.198 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -84.9 | -21.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S344 I346 L723 E724 E725 K729 | S344-A727 VanDerWaalsContact O-CB 3.28Å; S344-A727 WeakPolarHBondContact O-CB 3.36Å; I346-A727 HydrophobicContact CD1-CB 4.46Å; I346-A727 HydrophobicContact CG1-CB 3.95Å; L723-A727 WeakPolarHBondContact O-CB 3.39Å; L723-A727 PolarHBondContact O-N 3.43Å; E724-A727 PolarHBondContact O-N 3.13Å; E724-A727 VanDerWaalsContact O-N 3.12Å; E725-A727 VanDerWaalsContact C-N 3.28Å; E725-A727 PolarHBondContact O-N 2.67Å; A727-K729 PolarHBondContact O-N 3.05Å |
| 728 | K | 80.1 | Confident | 89.2 | Confident | 142 Ų | 142 | 55.3 Ų | 55.3 | 62% | 0.617 | 27% | 0.266 | S | S | * | . | trans | -67.5 | 96.6 | 170.5 | -71.7 | 173.9 | -172.3 | 174.1 | 0 | 109.1 | E724 E725 | E724-K728 WeakPolarHBondContact O-CG 3.43Å; E724-K728 PolarHBondContact O-N 3.29Å; E725-K728 PolarHBondContact O-N 3.24Å; E725-K728 IonicContact OE1-NZ 2.77Å; E725-K728 PolarHBondContact OE1-NZ 3.46Å; E725-K728 IonicContact OE2-NZ 3.75Å | ||
| 729 | K | 64.2 | Low | 88.8 | Confident | 202 Ų | 202 | 57.4 Ų | 57.4 | 88% | 0.878 | 27% | 0.27 | S | S | * | . | trans | -127.8 | 0 | 171.8 | -72.4 | -172.2 | 179.7 | 179.2 | 0 | 110.3 | A727 | A727-K729 PolarHBondContact O-N 3.05Š|
Retrieved 729 of 729 residues in 140.3 ms
(Link to these results)