| 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 | 88.4 | Confident | 95.8 | Very high | 111 Ų | 111 | 20.1 Ų | 20.1 | 55% | 0.547 | 11% | 0.11 | S | C | . | . | 0 | 135.2 | 0 | -175.8 | 176.3 | 65.4 | 0 | 0 | 109.4 | E460 K462 | M1-E460 CarbonylContact C-O 3.54Å; M1-E460 WeakPolarHBondContact CA-O 3.26Å; M1-E460 HydrophobicContact CB-CB 4.44Å; M1-E460 HydrophobicContact CG-CB 4.34Å; M1-K462 HydrophobicContact CE-CG 4.21Å; M1-K462 HydrophobicContact SD-CG 4.26Å | |||
| 2 | F | 95 | Very high | 95.6 | Very high | 47 Ų | 47 | 18.8 Ų | 18.8 | 21% | 0.206 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 160.3 | 174.3 | -64.8 | -85.3 | 0 | 0 | 0 | 111.1 | V5 S26 L28 E460 A461 K462 | F2-V5 HydrophobicContact CB-CG2 4.29Å; F2-V5 HydrophobicContact CD2-CG2 4.24Å; F2-V5 HydrophobicContact CG-CG2 4.45Å; F2-S26 WeakPolarHBondContact CD1-OG 3.35Å; F2-L28 HydrophobicContact CD1-CB 3.75Å; F2-L28 HydrophobicContact CD2-CB 4.14Å; F2-L28 HydrophobicContact CD2-CD2 4.09Å; F2-L28 HydrophobicContact CE1-CB 3.72Å; F2-L28 HydrophobicContact CE1-CD2 4.47Å; F2-L28 HydrophobicContact CE2-CB 4.11Å; F2-L28 HydrophobicContact CE2-CD2 3.56Å; F2-L28 HydrophobicContact CE2-CG 4.44Å; F2-L28 HydrophobicContact CG-CB 3.98Å; F2-L28 HydrophobicContact CZ-CB 3.91Å; F2-L28 HydrophobicContact CZ-CD2 3.79Å; F2-L28 HydrophobicContact CZ-CG 4.32Å; F2-E460 PolarHBondContact N-O 3.15Å; F2-A461 HydrophobicContact CB-CB 4.39Å; F2-A461 WeakPolarHBondContact O-CA 3.44Å; F2-K462 PolarHBondContact O-N 3.03Å |
| 3 | D | 94.6 | Very high | 95.7 | Very high | 24 Ų | 24 | 17.4 Ų | 17.4 | 13% | 0.128 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | -47 | 167.3 | -68.4 | -50.4 | 0 | 0 | 0 | 109.5 | S26 K462 H463 L716 | D3-S26 WeakPolarHBondContact CB-O 3.26Å; D3-S26 PolarHBondContact N-O 3.33Å; D3-S26 PolarHBondContact OD2-N 3.32Å; D3-K462 WeakPolarHBondContact O-CB 2.99Å; D3-K462 PolarHBondContact O-N 3.38Å; D3-K462 WeakPolarHBondContact OD1-CE 3.22Å; D3-K462 IonicContact OD1-NZ 2.72Å; D3-K462 PolarHBondContact OD1-NZ 3.48Å; D3-H463 PolarHBondContact O-CD2 3.34Å; D3-H463 PolarHBondContact O-N 2.86Å; D3-L716 HydrophobicContact CB-CD2 4.08Å |
| 4 | V | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 130.1 | -179.2 | -171 | 0 | 0 | 0 | 0 | 110.7 | V6 L20 S26 V27 L28 H463 I465 L712 L716 | V4-V6 HydrophobicContact CG1-CG2 4.23Å; V4-L20 HydrophobicContact CB-CD1 4.19Å; V4-L20 HydrophobicContact CG1-CD1 4.01Å; V4-L20 HydrophobicContact CG2-CD1 4.01Å; V4-S26 PolarHBondContact N-O 3.28Å; V4-S26 VanDerWaalsContact N-O 3.13Å; V4-V27 WeakPolarHBondContact O-CA 3.39Å; V4-L28 PolarHBondContact O-N 3.39Å; V4-L28 VanDerWaalsContact O-N 3.16Å; V4-H463 WeakPolarHBondContact CA-O 3.47Å; V4-H463 HydrophobicContact CG2-CB 4.34Å; V4-I465 HydrophobicContact CG1-CD1 3.96Å; V4-I465 HydrophobicContact CG1-CG1 3.85Å; V4-L712 HydrophobicContact CG1-CD1 4.16Å; V4-L712 HydrophobicContact CG2-CD1 3.86Å; V4-L716 HydrophobicContact CG2-CD1 4Å; V4-L716 HydrophobicContact CG2-CD2 4.37Å |
| 5 | V | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 134.6 | 161.8 | 164 | 0 | 0 | 0 | 0 | 108.8 | F2 I7 L28 L30 I431 A461 H463 C464 I465 | F2-V5 HydrophobicContact CB-CG2 4.29Å; F2-V5 HydrophobicContact CD2-CG2 4.24Å; F2-V5 HydrophobicContact CG-CG2 4.45Å; V5-I7 HydrophobicContact CG1-CG1 4.15Å; V5-L28 CarbonylContact C-O 3.55Å; V5-L28 WeakPolarHBondContact CA-O 3.45Å; V5-L28 HydrophobicContact CG2-CB 4.21Å; V5-L28 HydrophobicContact CG2-CD2 4.4Å; V5-L30 HydrophobicContact CG1-CD1 4.03Å; V5-L30 HydrophobicContact CG1-CG 4.29Å; V5-I431 HydrophobicContact CB-CD1 4.19Å; V5-I431 HydrophobicContact CG1-CD1 4.26Å; V5-I431 HydrophobicContact CG1-CG1 4.41Å; V5-I431 HydrophobicContact CG2-CD1 4.31Å; V5-A461 HydrophobicContact CB-CB 4.01Å; V5-A461 HydrophobicContact CG2-CB 3.72Å; V5-H463 PolarHBondContact N-O 3.44Å; V5-H463 VanDerWaalsContact N-O 3.08Å; V5-C464 CarbonylContact O-C 3.57Å; V5-C464 VanDerWaalsContact O-CA 3.29Å; V5-C464 WeakPolarHBondContact O-CA 3.28Å; V5-I465 PolarHBondContact O-N 3.1Å |
| 6 | V | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.1 | 174.9 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | V4 A17 V27 L28 V29 L30 I465 T467 | V4-V6 HydrophobicContact CG1-CG2 4.23Å; V6-A17 HydrophobicContact CG2-CB 4.26Å; V6-V27 HydrophobicContact CG2-CG1 4.05Å; V6-L28 PolarHBondContact N-O 2.99Å; V6-V29 HydrophobicContact CB-CG1 4.43Å; V6-V29 HydrophobicContact CB-CG2 4.31Å; V6-V29 CarbonylContact O-C 3.5Å; V6-V29 VanDerWaalsContact O-CA 3.3Å; V6-V29 WeakPolarHBondContact O-CA 3.46Å; V6-L30 PolarHBondContact O-N 3.03Å; V6-I465 CarbonylContact C-O 3.57Å; V6-I465 WeakPolarHBondContact CA-O 3.39Å; V6-I465 HydrophobicContact CG1-CB 4.5Å; V6-I465 HydrophobicContact CG2-CB 4.33Å; V6-T467 HydrophobicContact CG1-CG2 4.29Å |
| 7 | I | 98.5 | Very high | 95.5 | Very high | 5 Ų | 5 | 13.3 Ų | 13.3 | 3% | 0.026 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 121 | 179.9 | -53.8 | 174.1 | 0 | 0 | 0 | 108.5 | V5 V387 I390 I431 C464 I465 I466 T467 V468 | V5-I7 HydrophobicContact CG1-CG1 4.15Å; I7-V387 HydrophobicContact CD1-CG1 4.13Å; I7-V387 HydrophobicContact CD1-CG2 4.17Å; I7-V387 HydrophobicContact CG1-CG2 4.24Å; I7-V387 HydrophobicContact CG2-CB 4.24Å; I7-V387 HydrophobicContact CG2-CG2 3.83Å; I7-I390 HydrophobicContact CD1-CD1 3.44Å; I7-I390 VanDerWaalsContact CD1-CD1 3.44Å; I7-I390 HydrophobicContact CD1-CG1 4.19Å; I7-I431 HydrophobicContact CD1-CG2 4.28Å; I7-C464 VanDerWaalsContact CD1-SG 3.52Å; I7-I465 PolarHBondContact N-O 3.37Å; I7-I466 HydrophobicContact CD1-CG1 4.42Å; I7-T467 WeakPolarHBondContact O-CA 3.33Å; I7-T467 PolarHBondContact O-N 3.14Å; I7-T467 PolarHBondContact O-OG1 3.18Å; I7-V468 HydrophobicContact CG2-CG1 3.66Å |
| 8 | G | 97.8 | Very high | 95.4 | Very high | 9 Ų | 9 | 13.8 Ų | 13.8 | 9% | 0.093 | 8% | 0.075 | C | C | . | . | trans | 91.1 | 125.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G10 L30 T467 | G8-G10 VanDerWaalsContact C-N 3.3Å; G8-L30 PolarHBondContact N-O 3.32Å; G8-T467 PolarHBondContact O-OG1 2.9Å; G8-T467 VanDerWaalsContact O-OG1 3.07Å | ||
| 9 | A | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | trans | -95.4 | 30.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L14 V29 E31 P36 G37 I381 | A9-L14 HydrophobicContact CB-CD2 4.1Å; A9-L14 HydrophobicContact CB-CG 4.42Å; A9-L14 VanDerWaalsContact O-CD1 3.26Å; A9-L14 WeakPolarHBondContact O-CD1 3.41Å; A9-L14 WeakPolarHBondContact O-CG 3.43Å; A9-V29 HydrophobicContact CB-CG1 3.91Å; A9-E31 WeakPolarHBondContact CA-OE2 3.31Å; A9-E31 HydrophobicContact CB-CB 3.79Å; A9-E31 HydrophobicContact CB-CG 3.91Å; A9-E31 WeakPolarHBondContact CB-OE2 2.98Å; A9-E31 PolarHBondContact N-OE2 3.03Å; A9-P36 HydrophobicContact CB-CB 4.06Å; A9-G37 PolarHBondContact O-N 3.16Å; A9-I381 HydrophobicContact CB-CG2 4.41Å | ||
| 10 | G | 95.2 | Very high | 94.9 | Very high | 16 Ų | 16 | 12.5 Ų | 12.5 | 17% | 0.165 | 7% | 0.068 | C | C | . | . | B | Isolated β-bridge | trans | -64.9 | 167.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G8 S12 G13 L14 | G8-G10 VanDerWaalsContact C-N 3.3Å; G10-S12 PolarHBondContact O-N 3.35Å; G10-G13 PolarHBondContact O-N 3.15Å; G10-L14 WeakPolarHBondContact O-CG 3.16Å; G10-L14 PolarHBondContact O-N 3.13Å |
| 11 | I | 93 | Very high | 94.8 | Very high | 9 Ų | 9 | 13.7 Ų | 13.7 | 5% | 0.046 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.7 | -25.1 | -175.3 | -159.2 | 173.7 | 0 | 0 | 0 | 114.1 | G15 I40 L139 L372 L375 T698 A701 L702 | I11-G15 PolarHBondContact O-N 3.46Å; I11-I40 HydrophobicContact CB-CD1 3.85Å; I11-I40 HydrophobicContact CD1-CD1 3.95Å; I11-I40 HydrophobicContact CG1-CD1 4.35Å; I11-I40 HydrophobicContact CG2-CD1 4.25Å; I11-L139 HydrophobicContact CD1-CD2 3.88Å; I11-L372 HydrophobicContact CB-CD2 4.29Å; I11-L372 HydrophobicContact CD1-CD2 4.41Å; I11-L372 HydrophobicContact CG1-CD2 4.14Å; I11-L375 HydrophobicContact CD1-CD1 4.45Å; I11-L375 HydrophobicContact CG1-CD1 3.86Å; I11-T698 HydrophobicContact CD1-CG2 3.75Å; I11-T698 HydrophobicContact CG2-CG2 3.87Å; I11-A701 HydrophobicContact CG2-CB 3.7Å; I11-L702 HydrophobicContact CD1-CB 4.16Å; I11-L702 HydrophobicContact CD1-CD2 4.37Å; I11-L702 HydrophobicContact CG1-CB 4.14Å; I11-L702 HydrophobicContact CG1-CD1 4.15Å; I11-L702 HydrophobicContact CG2-CB 4.38Å |
| 12 | S | 93.5 | Very high | 94.6 | Very high | 5 Ų | 5 | 12.3 Ų | 12.3 | 4% | 0.035 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.1 | -59.2 | 171.1 | -174.6 | 0 | 0 | 0 | 0 | 111.3 | G10 L14 G15 A16 A684 G685 A701 T704 G705 | G10-S12 PolarHBondContact O-N 3.35Å; S12-L14 VanDerWaalsContact C-N 3.34Å; S12-L14 PolarHBondContact O-N 3.03Å; S12-G15 PolarHBondContact O-N 3.37Å; S12-G15 VanDerWaalsContact O-N 3.09Å; S12-A16 PolarHBondContact O-N 2.99Å; S12-A684 VanDerWaalsContact OG-CB 3.32Å; S12-A684 WeakPolarHBondContact OG-CB 3.31Å; S12-G685 PolarHBondContact OG-N 2.85Å; S12-A701 VanDerWaalsContact CA-O 3.31Å; S12-A701 WeakPolarHBondContact CA-O 3.45Å; S12-A701 WeakPolarHBondContact CB-O 3.49Å; S12-A701 PolarHBondContact OG-O 3.48Å; S12-T704 PolarHBondContact OG-OG1 3.33Å; S12-G705 WeakPolarHBondContact O-CA 3.49Å; S12-G705 WeakPolarHBondContact OG-CA 3.41Å; S12-G705 PolarHBondContact OG-N 3.19Å |
| 13 | G | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.5 | -41.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G10 G15 A16 A17 | G10-G13 PolarHBondContact O-N 3.15Å; G13-G15 PolarHBondContact O-N 3.06Å; G13-A16 PolarHBondContact O-N 3.3Å; G13-A17 VanDerWaalsContact O-CB 3.31Å; G13-A17 WeakPolarHBondContact O-CB 3.45Å; G13-A17 PolarHBondContact O-N 3.22Å |
| 14 | L | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | 173.4 | -66.2 | 175.3 | 0 | 0 | 0 | 112.3 | A9 G10 S12 H18 P36 L372 L375 L376 L379 I381 | A9-L14 HydrophobicContact CB-CD2 4.1Å; A9-L14 HydrophobicContact CB-CG 4.42Å; A9-L14 VanDerWaalsContact O-CD1 3.26Å; A9-L14 WeakPolarHBondContact O-CD1 3.41Å; A9-L14 WeakPolarHBondContact O-CG 3.43Å; G10-L14 WeakPolarHBondContact O-CG 3.16Å; G10-L14 PolarHBondContact O-N 3.13Å; S12-L14 VanDerWaalsContact C-N 3.34Å; S12-L14 PolarHBondContact O-N 3.03Å; L14-H18 WeakPolarHBondContact O-CB 3.47Å; L14-H18 PolarHBondContact O-N 3.36Å; L14-P36 HydrophobicContact CD1-CB 4.39Å; L14-L372 HydrophobicContact CD1-CD2 3.88Å; L14-L375 HydrophobicContact CB-CB 4.05Å; L14-L375 HydrophobicContact CB-CD1 4.33Å; L14-L376 HydrophobicContact CD1-CD2 4.09Å; L14-L376 HydrophobicContact CD1-CG 4.46Å; L14-L376 HydrophobicContact CD2-CD2 3.6Å; L14-L376 HydrophobicContact CD2-CG 4.49Å; L14-L379 HydrophobicContact CD2-CD1 3.68Å; L14-I381 HydrophobicContact CD2-CD1 3.94Å |
| 15 | G | 91.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I11 S12 G13 L19 | I11-G15 PolarHBondContact O-N 3.46Å; S12-G15 PolarHBondContact O-N 3.37Å; S12-G15 VanDerWaalsContact O-N 3.09Å; G13-G15 PolarHBondContact O-N 3.06Å; G15-L19 PolarHBondContact O-N 3.18Å |
| 16 | A | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.7 | -51.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S12 G13 L19 L20 I465 G705 A709 | S12-A16 PolarHBondContact O-N 2.99Å; G13-A16 PolarHBondContact O-N 3.3Å; A16-L19 PolarHBondContact O-N 3.22Å; A16-L20 WeakPolarHBondContact O-CG 3.22Å; A16-L20 PolarHBondContact O-N 3.37Å; A16-L20 VanDerWaalsContact O-N 3.08Å; A16-I465 HydrophobicContact CB-CD1 3.96Å; A16-G705 VanDerWaalsContact CB-O 3.28Å; A16-G705 WeakPolarHBondContact CB-O 3.4Å; A16-A709 HydrophobicContact CB-CB 4.32Å |
| 17 | A | 97.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.5 | -46.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V6 G13 L19 L20 T21 V27 V29 L379 | V6-A17 HydrophobicContact CG2-CB 4.26Å; G13-A17 VanDerWaalsContact O-CB 3.31Å; G13-A17 WeakPolarHBondContact O-CB 3.45Å; G13-A17 PolarHBondContact O-N 3.22Å; A17-L19 VanDerWaalsContact C-N 3.25Å; A17-L19 PolarHBondContact O-N 2.82Å; A17-L20 PolarHBondContact O-N 3.05Å; A17-L20 VanDerWaalsContact O-N 3.14Å; A17-T21 WeakPolarHBondContact O-CB 3.25Å; A17-T21 PolarHBondContact O-N 3.06Å; A17-T21 PolarHBondContact O-OG1 3Å; A17-T21 VanDerWaalsContact O-OG1 3.06Å; A17-V27 HydrophobicContact CB-CG1 3.96Å; A17-V29 HydrophobicContact CB-CG2 3.64Å; A17-L379 HydrophobicContact CB-CD1 3.84Å; A17-L379 HydrophobicContact CB-CD2 3.85Å |
| 18 | H | 92.8 | Very high | 93.3 | Very high | 22 Ų | 22 | 19.8 Ų | 19.8 | 10% | 0.102 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.8 | -37.5 | 178.4 | -177.2 | 79 | 0 | 0 | 0 | 112.7 | L14 R22 P374 L375 L754 | L14-H18 WeakPolarHBondContact O-CB 3.47Å; L14-H18 PolarHBondContact O-N 3.36Å; H18-R22 WeakPolarHBondContact O-CB 3.47Å; H18-R22 PolarHBondContact O-N 3.06Å; H18-P374 PolarHBondContact CE1-O 2.92Å; H18-P374 PolarHBondContact ND1-O 3.18Å; H18-L375 HydrophobicContact CB-CD2 4.08Å; H18-L754 PolarHBondContact NE2-O 3.3Å |
| 19 | L | 88.8 | Confident | 93.4 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.5 | -49 | 174.9 | 177.3 | 50.2 | 0 | 0 | 0 | 111.9 | G15 A16 A17 R22 E23 I706 A709 I710 Y753 L754 | G15-L19 PolarHBondContact O-N 3.18Å; A16-L19 PolarHBondContact O-N 3.22Å; A17-L19 VanDerWaalsContact C-N 3.25Å; A17-L19 PolarHBondContact O-N 2.82Å; L19-R22 PolarHBondContact O-N 3.32Å; L19-E23 HydrophobicContact CD1-CG 4.46Å; L19-E23 PolarHBondContact O-N 2.97Å; L19-I706 HydrophobicContact CD2-CG2 3.94Å; L19-A709 HydrophobicContact CB-CB 4.13Å; L19-A709 HydrophobicContact CD2-CB 3.76Å; L19-A709 HydrophobicContact CG-CB 4.06Å; L19-I710 HydrophobicContact CD2-CG1 3.85Å; L19-Y753 HydrophobicContact CD1-CE1 3.5Å; L19-Y753 VanDerWaalsContact CD1-CE1 3.5Å; L19-Y753 VanDerWaalsContact CD1-OH 3.3Å; L19-Y753 WeakPolarHBondContact CD1-OH 3.28Å; L19-L754 HydrophobicContact CB-CD2 4.22Å; L19-L754 HydrophobicContact CD1-CD2 4.43Å |
| 20 | L | 92.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.4 | -43 | -175.2 | -68.9 | 166.5 | 0 | 0 | 0 | 112.6 | V4 A16 A17 R22 E23 S24 Y25 V27 I465 A709 L713 L716 | V4-L20 HydrophobicContact CB-CD1 4.19Å; V4-L20 HydrophobicContact CG1-CD1 4.01Å; V4-L20 HydrophobicContact CG2-CD1 4.01Å; A16-L20 WeakPolarHBondContact O-CG 3.22Å; A16-L20 PolarHBondContact O-N 3.37Å; A16-L20 VanDerWaalsContact O-N 3.08Å; A17-L20 PolarHBondContact O-N 3.05Å; A17-L20 VanDerWaalsContact O-N 3.14Å; L20-R22 VanDerWaalsContact C-N 3.28Å; L20-R22 PolarHBondContact O-N 3.43Å; L20-E23 CarbonylContact O-C 3.54Å; L20-E23 PolarHBondContact O-N 3.4Å; L20-S24 PolarHBondContact O-N 3.08Å; L20-Y25 WeakPolarHBondContact O-CD2 3.19Å; L20-Y25 PolarHBondContact O-N 3.31Å; L20-V27 HydrophobicContact CB-CG2 3.55Å; L20-I465 HydrophobicContact CD1-CD1 3.82Å; L20-A709 HydrophobicContact CD1-CB 4.04Å; L20-A709 HydrophobicContact CD2-CB 4.13Å; L20-A709 HydrophobicContact CG-CB 3.77Å; L20-L713 HydrophobicContact CD2-CD2 4.25Å; L20-L716 HydrophobicContact CD2-CD1 3.65Å |
| 21 | T | 92.2 | Very high | 93.6 | Very high | 38 Ų | 38 | 19.2 Ų | 19.2 | 23% | 0.233 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60 | -39.5 | 174.6 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | A17 E23 S24 L379 | A17-T21 WeakPolarHBondContact O-CB 3.25Å; A17-T21 PolarHBondContact O-N 3.06Å; A17-T21 PolarHBondContact O-OG1 3Å; A17-T21 VanDerWaalsContact O-OG1 3.06Å; T21-E23 VanDerWaalsContact C-N 3.34Å; T21-E23 PolarHBondContact O-N 3.27Å; T21-S24 WeakPolarHBondContact O-CA 3.28Å; T21-S24 PolarHBondContact O-N 2.91Å; T21-L379 HydrophobicContact CG2-CD2 4.39Å; T21-L379 WeakPolarHBondContact OG1-CD2 3.35Å |
| 22 | R | 85.4 | Confident | 93.7 | Very high | 81 Ų | 81 | 19.8 Ų | 19.8 | 31% | 0.306 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -67.2 | -32.2 | 178.6 | 174.3 | 175.8 | 172.1 | 152.3 | -11.4 | 113.7 | H18 L19 L20 S24 Y753 L754 V758 | H18-R22 WeakPolarHBondContact O-CB 3.47Å; H18-R22 PolarHBondContact O-N 3.06Å; L19-R22 PolarHBondContact O-N 3.32Å; L20-R22 VanDerWaalsContact C-N 3.28Å; L20-R22 PolarHBondContact O-N 3.43Å; R22-S24 PolarHBondContact O-N 3.11Å; R22-Y753 PolarHBondContact NH1-O 3.29Å; R22-Y753 VanDerWaalsContact NH2-CD2 3.34Å; R22-Y753 PolarHBondContact NH2-O 3.48Å; R22-L754 PolarHBondContact NH1-O 3.15Å; R22-V758 PolarHBondContact NH2-O 2.75Å |
| 23 | E | 84.5 | Confident | 93.7 | Very high | 56 Ų | 56 | 19.8 Ų | 19.8 | 26% | 0.262 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 20 | 170.7 | -63.1 | -62.3 | 119.5 | 0 | 0 | 111.9 | L19 L20 T21 Y25 L713 K720 Y753 L760 | L19-E23 HydrophobicContact CD1-CG 4.46Å; L19-E23 PolarHBondContact O-N 2.97Å; L20-E23 CarbonylContact O-C 3.54Å; L20-E23 PolarHBondContact O-N 3.4Å; T21-E23 VanDerWaalsContact C-N 3.34Å; T21-E23 PolarHBondContact O-N 3.27Å; E23-Y25 HydrophobicContact CB-CD2 3.88Å; E23-Y25 HydrophobicContact CB-CE2 3.72Å; E23-Y25 WeakPolarHBondContact O-CD2 3.34Å; E23-Y25 WeakPolarHBondContact O-CE2 3.39Å; E23-Y25 PolarHBondContact O-N 3.03Å; E23-L713 HydrophobicContact CB-CD2 4.23Å; E23-L713 HydrophobicContact CG-CD2 4.25Å; E23-K720 PolarHBondContact O-NZ 2.99Å; E23-Y753 PolarHBondContact OE1-OH 3.36Å; E23-L760 WeakPolarHBondContact OE2-CD2 3.46Å |
| 24 | S | 88.7 | Confident | 93.5 | Very high | 95 Ų | 95 | 22.5 Ų | 22.5 | 66% | 0.664 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 43 | 174.1 | -51.8 | 0 | 0 | 0 | 0 | 113.6 | L20 T21 R22 K720 | L20-S24 PolarHBondContact O-N 3.08Å; T21-S24 WeakPolarHBondContact O-CA 3.28Å; T21-S24 PolarHBondContact O-N 2.91Å; R22-S24 PolarHBondContact O-N 3.11Å; S24-K720 PolarHBondContact O-NZ 2.86Å |
| 25 | Y | 91.9 | Very high | 93.4 | Very high | 18 Ų | 18 | 23.3 Ų | 23.3 | 7% | 0.071 | 13% | 0.129 | C | C | . | . | trans | -97.6 | 153.4 | 169.6 | -65 | -71.3 | 0 | 0 | 0 | 111.3 | L20 E23 V27 L713 L716 M717 K720 | L20-Y25 WeakPolarHBondContact O-CD2 3.19Å; L20-Y25 PolarHBondContact O-N 3.31Å; E23-Y25 HydrophobicContact CB-CD2 3.88Å; E23-Y25 HydrophobicContact CB-CE2 3.72Å; E23-Y25 WeakPolarHBondContact O-CD2 3.34Å; E23-Y25 WeakPolarHBondContact O-CE2 3.39Å; E23-Y25 PolarHBondContact O-N 3.03Å; Y25-V27 PolarHBondContact O-N 3.41Å; Y25-L713 HydrophobicContact CD2-CD2 4.41Å; Y25-L713 HydrophobicContact CE2-CD2 3.73Å; Y25-L716 HydrophobicContact CD1-CB 4.09Å; Y25-L716 HydrophobicContact CD1-CD1 4.38Å; Y25-L716 HydrophobicContact CD1-CD2 4.49Å; Y25-L716 HydrophobicContact CD2-CD1 4.2Å; Y25-L716 HydrophobicContact CE1-CB 3.54Å; Y25-L716 HydrophobicContact CE1-CG 4.47Å; Y25-L716 HydrophobicContact CE2-CB 4.17Å; Y25-L716 HydrophobicContact CE2-CD1 4.36Å; Y25-L716 HydrophobicContact CG-CD1 4.21Å; Y25-M717 WeakPolarHBondContact OH-CA 3.49Å; Y25-M717 VanDerWaalsContact OH-CG 3.3Å; Y25-M717 WeakPolarHBondContact OH-CG 3.35Å; Y25-M717 PolarHBondContact OH-N 3.43Å; Y25-K720 HydrophobicContact CD1-CD 4.46Å; Y25-K720 HydrophobicContact CE1-CD 3.64Å; Y25-K720 HydrophobicContact CE1-CG 4.23Å; Y25-K720 VanDerWaalsContact CE1-NZ 3.28Å | ||
| 26 | S | 94.6 | Very high | 93.5 | Very high | 52 Ų | 52 | 23.7 Ų | 23.7 | 36% | 0.364 | 13% | 0.131 | S | C | . | . | trans | -77.3 | 103.5 | 176.7 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | F2 D3 V4 | F2-S26 WeakPolarHBondContact CD1-OG 3.35Å; D3-S26 WeakPolarHBondContact CB-O 3.26Å; D3-S26 PolarHBondContact N-O 3.33Å; D3-S26 PolarHBondContact OD2-N 3.32Å; V4-S26 PolarHBondContact N-O 3.28Å; V4-S26 VanDerWaalsContact N-O 3.13Å | ||
| 27 | V | 97.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 23.8 Ų | 23.8 | 7% | 0.067 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 135.2 | -176.5 | -173.5 | 0 | 0 | 0 | 0 | 110.7 | V4 V6 A17 L20 Y25 | V4-V27 WeakPolarHBondContact O-CA 3.39Å; V6-V27 HydrophobicContact CG2-CG1 4.05Å; A17-V27 HydrophobicContact CB-CG1 3.96Å; L20-V27 HydrophobicContact CB-CG2 3.55Å; Y25-V27 PolarHBondContact O-N 3.41Å |
| 28 | L | 98.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.8 | 169.1 | 173.1 | 64.2 | 0 | 0 | 0 | 109.5 | F2 V4 V5 V6 L30 I382 Y459 | F2-L28 HydrophobicContact CD1-CB 3.75Å; F2-L28 HydrophobicContact CD2-CB 4.14Å; F2-L28 HydrophobicContact CD2-CD2 4.09Å; F2-L28 HydrophobicContact CE1-CB 3.72Å; F2-L28 HydrophobicContact CE1-CD2 4.47Å; F2-L28 HydrophobicContact CE2-CB 4.11Å; F2-L28 HydrophobicContact CE2-CD2 3.56Å; F2-L28 HydrophobicContact CE2-CG 4.44Å; F2-L28 HydrophobicContact CG-CB 3.98Å; F2-L28 HydrophobicContact CZ-CB 3.91Å; F2-L28 HydrophobicContact CZ-CD2 3.79Å; F2-L28 HydrophobicContact CZ-CG 4.32Å; V4-L28 PolarHBondContact O-N 3.39Å; V4-L28 VanDerWaalsContact O-N 3.16Å; V5-L28 CarbonylContact C-O 3.55Å; V5-L28 WeakPolarHBondContact CA-O 3.45Å; V5-L28 HydrophobicContact CG2-CB 4.21Å; V5-L28 HydrophobicContact CG2-CD2 4.4Å; V6-L28 PolarHBondContact N-O 2.99Å; L28-L30 HydrophobicContact CD1-CD2 4.45Å; L28-L30 HydrophobicContact CD2-CD2 3.88Å; L28-L30 HydrophobicContact CG-CD2 4.06Å; L28-I382 HydrophobicContact CD1-CD1 3.79Å; L28-I382 HydrophobicContact CD1-CG1 3.85Å; L28-I382 HydrophobicContact CD2-CD1 4.25Å; L28-Y459 HydrophobicContact CD2-CD1 3.58Å; L28-Y459 HydrophobicContact CD2-CE1 3.95Å; L28-Y459 HydrophobicContact CD2-CG 3.95Å |
| 29 | V | 98.6 | Very high | 93 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.2 | 170.4 | -168.9 | 0 | 0 | 0 | 0 | 109.4 | V6 A9 A17 N380 I381 I382 | V6-V29 HydrophobicContact CB-CG1 4.43Å; V6-V29 HydrophobicContact CB-CG2 4.31Å; V6-V29 CarbonylContact O-C 3.5Å; V6-V29 VanDerWaalsContact O-CA 3.3Å; V6-V29 WeakPolarHBondContact O-CA 3.46Å; A9-V29 HydrophobicContact CB-CG1 3.91Å; A17-V29 HydrophobicContact CB-CG2 3.64Å; V29-N380 PolarHBondContact N-O 3.06Å; V29-I381 HydrophobicContact CB-CB 4.34Å; V29-I381 HydrophobicContact CB-CG1 4.03Å; V29-I381 HydrophobicContact CB-CG2 4.16Å; V29-I381 HydrophobicContact CG1-CG2 4.34Å; V29-I381 HydrophobicContact CG2-CG1 4.25Å; V29-I381 WeakPolarHBondContact O-CA 3.47Å; V29-I382 PolarHBondContact O-N 3.41Å |
| 30 | L | 98.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 120.6 | 172.2 | -58.4 | 178.8 | 0 | 0 | 0 | 108.8 | V5 V6 G8 L28 I382 A385 V387 I431 Y459 | V5-L30 HydrophobicContact CG1-CD1 4.03Å; V5-L30 HydrophobicContact CG1-CG 4.29Å; V6-L30 PolarHBondContact O-N 3.03Å; G8-L30 PolarHBondContact N-O 3.32Å; L28-L30 HydrophobicContact CD1-CD2 4.45Å; L28-L30 HydrophobicContact CD2-CD2 3.88Å; L28-L30 HydrophobicContact CG-CD2 4.06Å; L30-I382 HydrophobicContact CD2-CB 4.09Å; L30-I382 HydrophobicContact CD2-CD1 4.3Å; L30-A385 HydrophobicContact CB-CB 4.35Å; L30-A385 HydrophobicContact CD2-CB 4.22Å; L30-V387 HydrophobicContact CB-CG2 4.12Å; L30-V387 HydrophobicContact CD1-CG2 3.66Å; L30-I431 HydrophobicContact CD1-CG2 3.94Å; L30-Y459 HydrophobicContact CD1-CD2 3.6Å; L30-Y459 HydrophobicContact CD1-CE2 3.83Å; L30-Y459 HydrophobicContact CD1-CG 4.47Å; L30-Y459 HydrophobicContact CD2-CD2 3.95Å; L30-Y459 HydrophobicContact CD2-CE2 3.53Å; L30-Y459 HydrophobicContact CG-CD2 4.41Å; L30-Y459 HydrophobicContact CG-CE2 4.35Å |
| 31 | E | 97.7 | Very high | 93.1 | Very high | 11 Ų | 11 | 27 Ų | 27 | 5% | 0.051 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 125.7 | 178.6 | 176.2 | 48.4 | -112.4 | 0 | 0 | 109.9 | A9 R33 R35 I381 I382 Y383 N384 A385 | A9-E31 WeakPolarHBondContact CA-OE2 3.31Å; A9-E31 HydrophobicContact CB-CB 3.79Å; A9-E31 HydrophobicContact CB-CG 3.91Å; A9-E31 WeakPolarHBondContact CB-OE2 2.98Å; A9-E31 PolarHBondContact N-OE2 3.03Å; E31-R33 VanDerWaalsContact C-N 3.28Å; E31-R33 HydrophobicContact CG-CB 4.42Å; E31-R33 PolarHBondContact O-N 3.09Å; E31-R33 PolarHBondContact OE1-N 3.13Å; E31-R35 WeakPolarHBondContact CG-O 3.27Å; E31-I381 HydrophobicContact CB-CG2 4.2Å; E31-I382 PolarHBondContact N-O 3.32Å; E31-Y383 HydrophobicContact CB-CD1 4Å; E31-Y383 HydrophobicContact CB-CE1 4.39Å; E31-Y383 HydrophobicContact CG-CD1 3.95Å; E31-Y383 HydrophobicContact CG-CE1 4.26Å; E31-Y383 CarbonylContact O-C 3.43Å; E31-N384 PolarHBondContact O-N 3.39Å; E31-A385 PolarHBondContact O-N 3.47Å |
| 32 | A | 96.5 | Very high | 93.2 | Very high | 21 Ų | 21 | 26.1 Ų | 26.1 | 17% | 0.174 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -67.9 | -29.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N384 V386 F615 | A32-N384 WeakPolarHBondContact O-CA 3.45Å; A32-V386 HydrophobicContact CB-CG2 4.17Å; A32-F615 HydrophobicContact CB-CD1 3.56Å; A32-F615 HydrophobicContact CB-CE1 3.73Å; A32-F615 HydrophobicContact CB-CG 3.98Å; A32-F615 HydrophobicContact CB-CZ 4.28Å |
| 33 | R | 93.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 2% | 0.019 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -89.1 | 171.2 | 175.6 | -56.8 | -175.1 | -163.5 | -118 | 5.5 | 112.3 | E31 R35 D62 N384 D613 F615 | E31-R33 VanDerWaalsContact C-N 3.28Å; E31-R33 HydrophobicContact CG-CB 4.42Å; E31-R33 PolarHBondContact O-N 3.09Å; E31-R33 PolarHBondContact OE1-N 3.13Å; R33-R35 VanDerWaalsContact C-N 3.25Å; R33-R35 HydrophobicContact CB-CG 4.34Å; R33-R35 PolarHBondContact O-N 3.21Å; R33-D62 WeakPolarHBondContact CD-OD1 3.37Å; R33-D62 IonicContact CZ-OD1 3.71Å; R33-D62 IonicContact NE-OD1 3.57Å; R33-D62 IonicContact NH1-OD1 2.7Å; R33-D62 PolarHBondContact NH1-OD1 3.21Å; R33-N384 PolarHBondContact O-N 2.81Å; R33-D613 IonicContact CZ-OD1 2.69Å; R33-D613 IonicContact CZ-OD2 2.85Å; R33-D613 IonicContact NH1-OD1 2.85Å; R33-D613 IonicContact NH1-OD2 3.66Å; R33-D613 PolarHBondContact NH1-OD2 3.03Å; R33-D613 IonicContact NH2-OD1 3.19Å; R33-D613 PolarHBondContact NH2-OD1 3.26Å; R33-D613 IonicContact NH2-OD2 3.29Å; R33-D613 PolarHBondContact NH2-OD2 2.75Å; R33-F615 HydrophobicContact CG-CB 4.39Å; R33-F615 HydrophobicContact CG-CD2 3.81Å; R33-F615 HydrophobicContact CG-CG 4.35Å |
| 34 | N | 93.3 | Very high | 93.7 | Very high | 58 Ų | 58 | 25 Ų | 25 | 31% | 0.31 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -81.7 | 5.2 | 168.1 | 63.2 | -4.9 | 0 | 0 | 0 | 114.8 | S65 N384 | N34-S65 VanDerWaalsContact CG-OG 3.3Å; N34-S65 WeakPolarHBondContact ND2-CB 3.1Å; N34-S65 PolarHBondContact ND2-OG 3.4Å; N34-S65 WeakPolarHBondContact OD1-CB 3.36Å; N34-S65 PolarHBondContact OD1-OG 3.26Å; N34-S65 VanDerWaalsContact OD1-OG 3.08Å; N34-N384 WeakPolarHBondContact CB-OD1 3.25Å; N34-N384 PolarHBondContact N-OD1 2.98Å |
| 35 | R | 93.2 | Very high | 93.6 | Very high | 16 Ų | 16 | 20.6 Ų | 20.6 | 6% | 0.06 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -138.2 | 149.9 | -179.8 | 62.5 | 165.6 | -172.4 | 76.1 | 4 | 112 | E31 R33 G38 H41 | E31-R35 WeakPolarHBondContact CG-O 3.27Å; R33-R35 VanDerWaalsContact C-N 3.25Å; R33-R35 HydrophobicContact CB-CG 4.34Å; R33-R35 PolarHBondContact O-N 3.21Å; R35-G38 PolarHBondContact NH1-O 2.87Å; R35-G38 PolarHBondContact NH2-O 2.99Å; R35-G38 VanDerWaalsContact NH2-O 3.07Å; R35-H41 VanDerWaalsContact CZ-CD2 3.49Å; R35-H41 PolarHBondContact NE-CD2 2.56Å; R35-H41 PolarHBondContact NE-NE2 2.92Å; R35-H41 PolarHBondContact NH2-CD2 3.44Å |
| 36 | P | 94.9 | Very high | 93 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 5% | 0.052 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -79.1 | -179.5 | 171.8 | 34.4 | -34.6 | 0 | 0 | 0 | 111.7 | A9 L14 F69 L376 Y383 | A9-P36 HydrophobicContact CB-CB 4.06Å; L14-P36 HydrophobicContact CD1-CB 4.39Å; P36-F69 HydrophobicContact CG-CE2 4.25Å; P36-L376 HydrophobicContact CB-CD2 3.74Å; P36-L376 HydrophobicContact CG-CD1 3.92Å; P36-L376 HydrophobicContact CG-CD2 3.77Å; P36-Y383 HydrophobicContact CB-CE1 4.27Å; P36-Y383 HydrophobicContact CG-CE1 4.42Å |
| 37 | G | 91.7 | Very high | 92.2 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 3% | 0.031 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | 98 | -18.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A9 R39 I40 L372 | A9-G37 PolarHBondContact O-N 3.16Å; G37-R39 PolarHBondContact O-N 3.17Å; G37-R39 VanDerWaalsContact O-N 3.14Å; G37-I40 WeakPolarHBondContact O-CB 3.39Å; G37-I40 PolarHBondContact O-N 3.25Å; G37-L372 VanDerWaalsContact CA-CD1 3.41Å |
| 38 | G | 90.7 | Very high | 91 | Very high | 17 Ų | 17 | 21.8 Ų | 21.8 | 18% | 0.175 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | -114.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R35 I40 | R35-G38 PolarHBondContact NH1-O 2.87Å; R35-G38 PolarHBondContact NH2-O 2.99Å; R35-G38 VanDerWaalsContact NH2-O 3.07Å; G38-I40 VanDerWaalsContact C-N 3.32Å |
| 39 | R | 90.3 | Very high | 89.3 | Confident | 53 Ų | 53 | 26 Ų | 26 | 20% | 0.2 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -8.9 | 175.1 | -75.5 | 161 | -81 | 163.2 | -0.3 | 114.3 | G37 H41 G123 W610 A619 E686 | G37-R39 PolarHBondContact O-N 3.17Å; G37-R39 VanDerWaalsContact O-N 3.14Å; R39-H41 PolarHBondContact O-N 3.34Å; R39-G123 VanDerWaalsContact O-CA 3.31Å; R39-G123 WeakPolarHBondContact O-CA 3.23Å; R39-W610 HydrophobicContact CB-CH2 4.24Å; R39-W610 HydrophobicContact CB-CZ3 4.36Å; R39-W610 HydrophobicContact CG-CD2 4.23Å; R39-W610 HydrophobicContact CG-CE3 3.76Å; R39-W610 HydrophobicContact CG-CH2 3.99Å; R39-W610 HydrophobicContact CG-CZ2 4.43Å; R39-W610 HydrophobicContact CG-CZ3 3.64Å; R39-A619 WeakPolarHBondContact CD-O 3.25Å; R39-A619 PolarHBondContact NH1-O 3.03Å; R39-E686 IonicContact CZ-OE1 3.41Å; R39-E686 IonicContact CZ-OE2 2.88Å; R39-E686 VanDerWaalsContact NH1-CD 3.27Å; R39-E686 IonicContact NH1-OE1 2.71Å; R39-E686 PolarHBondContact NH1-OE1 2.88Å; R39-E686 IonicContact NH1-OE2 2.68Å; R39-E686 PolarHBondContact NH1-OE2 3.3Å; R39-E686 IonicContact NH2-OE1 3.33Å; R39-E686 PolarHBondContact NH2-OE1 2.69Å; R39-E686 IonicContact NH2-OE2 2.69Å; R39-E686 PolarHBondContact NH2-OE2 2.8Å |
| 40 | I | 92.2 | Very high | 87.2 | Confident | 8 Ų | 8 | 29.4 Ų | 29.4 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | trans | -79.3 | 100.8 | 164.4 | -61.8 | 167.5 | 0 | 0 | 0 | 107.3 | I11 G37 G38 A124 F368 L372 T698 | I11-I40 HydrophobicContact CB-CD1 3.85Å; I11-I40 HydrophobicContact CD1-CD1 3.95Å; I11-I40 HydrophobicContact CG1-CD1 4.35Å; I11-I40 HydrophobicContact CG2-CD1 4.25Å; G37-I40 WeakPolarHBondContact O-CB 3.39Å; G37-I40 PolarHBondContact O-N 3.25Å; G38-I40 VanDerWaalsContact C-N 3.32Å; I40-A124 HydrophobicContact CG1-CB 4.5Å; I40-F368 HydrophobicContact CD1-CD1 4.46Å; I40-F368 HydrophobicContact CD1-CE1 4.3Å; I40-F368 HydrophobicContact CG1-CD1 4.13Å; I40-F368 HydrophobicContact CG1-CE1 4.22Å; I40-F368 HydrophobicContact CG2-CD1 3.87Å; I40-L372 HydrophobicContact CB-CD1 4.32Å; I40-L372 HydrophobicContact CD1-CD2 3.8Å; I40-L372 HydrophobicContact CG2-CD1 3.94Å; I40-L372 HydrophobicContact CG2-CG 4.19Å; I40-T698 HydrophobicContact CD1-CG2 3.62Å; I40-T698 HydrophobicContact CG1-CG2 4.24Å | ||
| 41 | H | 91.7 | Very high | 84.6 | Confident | 14 Ų | 14 | 34.9 Ų | 34.9 | 7% | 0.065 | 20% | 0.202 | C | C | . | . | trans | -140.7 | 117.1 | 179.8 | -170.6 | 13.9 | 0 | 0 | 0 | 110.4 | R35 R39 V43 L122 | R35-H41 VanDerWaalsContact CZ-CD2 3.49Å; R35-H41 PolarHBondContact NE-CD2 2.56Å; R35-H41 PolarHBondContact NE-NE2 2.92Å; R35-H41 PolarHBondContact NH2-CD2 3.44Å; R39-H41 PolarHBondContact O-N 3.34Å; H41-V43 WeakPolarHBondContact CE1-CG1 3.4Å; H41-L122 PolarHBondContact O-N 3.31Å | ||
| 42 | S | 93 | Very high | 82.2 | Confident | 18 Ų | 18 | 37.9 Ų | 37.9 | 13% | 0.126 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 136.2 | 167.2 | -42.4 | 0 | 0 | 0 | 0 | 108.6 | V120 D121 R367 F368 S369 | S42-V120 CarbonylContact C-O 3.59Å; S42-V120 WeakPolarHBondContact CA-O 3.23Å; S42-D121 VanDerWaalsContact CB-OD1 3.28Å; S42-D121 WeakPolarHBondContact CB-OD1 3.3Å; S42-D121 PolarHBondContact OG-OD1 2.9Å; S42-R367 WeakPolarHBondContact OG-CB 3.3Å; S42-F368 PolarHBondContact OG-N 2.84Å; S42-S369 WeakPolarHBondContact OG-CB 3.41Å; S42-S369 PolarHBondContact OG-N 2.78Å; S42-S369 VanDerWaalsContact OG-N 3.13Å; S42-S369 PolarHBondContact OG-OG 3.38Å; S42-S369 VanDerWaalsContact OG-OG 3.05Å |
| 43 | V | 91.3 | Very high | 79.4 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 155 | 176.1 | -63.7 | 0 | 0 | 0 | 0 | 110.6 | H41 L64 D119 V120 L122 L606 | H41-V43 WeakPolarHBondContact CE1-CG1 3.4Å; V43-L64 HydrophobicContact CG1-CB 4.31Å; V43-L64 HydrophobicContact CG1-CD1 4.49Å; V43-D119 CarbonylContact O-C 3.59Å; V43-D119 VanDerWaalsContact O-CA 3.31Å; V43-D119 WeakPolarHBondContact O-CA 3.24Å; V43-V120 HydrophobicContact CG2-CG2 3.59Å; V43-V120 PolarHBondContact N-O 3.45Å; V43-V120 PolarHBondContact O-N 3.47Å; V43-L122 HydrophobicContact CB-CD1 4.43Å; V43-L122 HydrophobicContact CG1-CD1 3.63Å; V43-L122 HydrophobicContact CG1-CG 4.15Å; V43-L122 HydrophobicContact CG2-CD1 3.9Å; V43-L122 HydrophobicContact CG2-CD2 3.75Å; V43-L122 HydrophobicContact CG2-CG 3.79Å; V43-L606 HydrophobicContact CG2-CD1 4.36Å |
| 44 | R | 89.8 | Confident | 76.7 | Confident | 105 Ų | 105 | 47.8 Ų | 47.8 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 113.5 | 179.4 | 178.4 | 157.7 | -75.5 | -163.3 | -5.4 | 110.3 | Y67 P117 D119 | R44-Y67 HydrophobicContact CB-CE2 4.17Å; R44-P117 HydrophobicContact CG-CB 3.63Å; R44-D119 WeakPolarHBondContact CB-OD1 3.12Å; R44-D119 IonicContact CZ-OD1 2.67Å; R44-D119 IonicContact CZ-OD2 3.77Å; R44-D119 IonicContact NE-OD1 3.11Å; R44-D119 PolarHBondContact NE-OD1 3.43Å; R44-D119 IonicContact NE-OD2 3.76Å; R44-D119 IonicContact NH2-OD1 2.73Å; R44-D119 PolarHBondContact NH2-OD1 2.87Å; R44-D119 IonicContact NH2-OD2 3.15Å; R44-D119 PolarHBondContact NH2-OD2 3.11Å |
| 45 | L | 87.6 | Confident | 74.1 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 140 | 175.1 | -56.3 | -177.5 | 0 | 0 | 0 | 110.5 | P117 I118 V120 I513 R515 V551 Y604 | L45-P117 WeakPolarHBondContact O-CA 3.36Å; L45-I118 WeakPolarHBondContact CB-O 3.48Å; L45-I118 WeakPolarHBondContact CG-O 3.3Å; L45-I118 PolarHBondContact N-O 3.23Å; L45-I118 PolarHBondContact O-N 3.04Å; L45-V120 HydrophobicContact CD1-CG1 3.73Å; L45-V120 HydrophobicContact CD1-CG2 4.2Å; L45-V120 HydrophobicContact CD2-CG2 3.8Å; L45-V120 HydrophobicContact CG-CG1 4.14Å; L45-V120 HydrophobicContact CG-CG2 3.87Å; L45-I513 HydrophobicContact CD1-CG2 3.9Å; L45-I513 HydrophobicContact CD2-CG2 4.3Å; L45-R515 HydrophobicContact CD1-CB 4.27Å; L45-R515 PolarHBondContact O-NH1 3.33Å; L45-V551 HydrophobicContact CD1-CG1 4.38Å; L45-V551 HydrophobicContact CD1-CG2 4.23Å; L45-Y604 HydrophobicContact CD2-CD1 3.86Å; L45-Y604 HydrophobicContact CD2-CE1 3.63Å |
| 46 | P | 79.1 | Confident | 71.3 | Confident | 44 Ų | 44 | 54.5 Ų | 54.5 | 29% | 0.286 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 149.4 | -178.1 | 27.3 | -35.5 | 0 | 0 | 0 | 111.9 | R515 Y604 | P46-R515 VanDerWaalsContact O-CZ 3.22Å; P46-R515 PolarHBondContact O-NH1 3.27Å; P46-Y604 HydrophobicContact CG-CD2 3.64Å; P46-Y604 HydrophobicContact CG-CE2 4.06Å; P46-Y604 HydrophobicContact CG-CG 3.95Å |
| 47 | S | 76.1 | Confident | 68.7 | Low | 18 Ų | 18 | 58.6 Ų | 58.6 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 147.5 | 176.7 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | S49 T50 S115 | S47-S49 PolarHBondContact O-N 3.14Å; S47-S49 PolarHBondContact OG-N 3.17Å; S47-S49 PolarHBondContact OG-OG 3.37Å; S47-T50 WeakPolarHBondContact CB-OG1 3.43Å; S47-T50 PolarHBondContact N-OG1 3.19Å; S47-T50 PolarHBondContact O-N 3.48Å; S47-T50 VanDerWaalsContact O-N 3.1Å; S47-T50 PolarHBondContact O-OG1 2.94Å; S47-T50 VanDerWaalsContact O-OG1 3.13Å; S47-S115 CarbonylContact C-O 3.6Å; S47-S115 WeakPolarHBondContact CA-O 3.36Å; S47-S115 PolarHBondContact OG-O 3.31Å |
| 48 | L | 73.5 | Confident | 66 | Low | 45 Ų | 45 | 63.7 Ų | 63.7 | 24% | 0.236 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -21.6 | 172.6 | -58.5 | -176.9 | 0 | 0 | 0 | 112.2 | S115 R515 K517 V603 | L48-S115 PolarHBondContact N-O 3.25Å; L48-R515 HydrophobicContact CD2-CG 4.37Å; L48-R515 VanDerWaalsContact CD2-NE 3.34Å; L48-K517 HydrophobicContact CD1-CG 4.19Å; L48-V603 HydrophobicContact CD2-CG2 3.56Å |
| 49 | S | 61.4 | Low | 63.4 | Low | 88 Ų | 88 | 64.8 Ų | 64.8 | 62% | 0.615 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -9 | 176.8 | 52.5 | 0 | 0 | 0 | 0 | 114.3 | S47 | S47-S49 PolarHBondContact O-N 3.14Å; S47-S49 PolarHBondContact OG-N 3.17Å; S47-S49 PolarHBondContact OG-OG 3.37Å |
| 50 | T | 56.1 | Low | 61.1 | Low | 74 Ų | 74 | 66.2 Ų | 66.2 | 45% | 0.454 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -82 | 125.2 | 174.8 | -23.4 | 0 | 0 | 0 | 0 | 109.6 | S47 V52 | S47-T50 WeakPolarHBondContact CB-OG1 3.43Å; S47-T50 PolarHBondContact N-OG1 3.19Å; S47-T50 PolarHBondContact O-N 3.48Å; S47-T50 VanDerWaalsContact O-N 3.1Å; S47-T50 PolarHBondContact O-OG1 2.94Å; S47-T50 VanDerWaalsContact O-OG1 3.13Å; T50-V52 PolarHBondContact O-N 2.99Å; T50-V52 VanDerWaalsContact O-N 3.09Å |
| 51 | P | 43.1 | Very low | 58.6 | Low | 116 Ų | 116 | 66.7 Ų | 66.7 | 75% | 0.753 | 39% | 0.394 | S | S | * | . | trans | -61.4 | 115.1 | 172.1 | -20.8 | 32.8 | 0 | 0 | 0 | 110 | S53 | P51-S53 VanDerWaalsContact C-N 3.26Å; P51-S53 PolarHBondContact O-N 3.37Å | ||
| 52 | V | 47.7 | Very low | 56.2 | Low | 74 Ų | 74 | 67.1 Ų | 67.1 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | trans | -79.3 | 80.5 | 176 | -173.8 | 0 | 0 | 0 | 0 | 108.3 | T50 N54 | T50-V52 PolarHBondContact O-N 2.99Å; T50-V52 VanDerWaalsContact O-N 3.09Å; V52-N54 PolarHBondContact O-N 3.36Å | ||
| 53 | S | 37.5 | Very low | 53.6 | Low | 96 Ų | 96 | 71.9 Ų | 71.9 | 67% | 0.671 | 42% | 0.421 | S | S | * | . | trans | -70.4 | 91.6 | 177.3 | 57.4 | 0 | 0 | 0 | 0 | 110.8 | P51 V55 | P51-S53 VanDerWaalsContact C-N 3.26Å; P51-S53 PolarHBondContact O-N 3.37Å; S53-V55 PolarHBondContact O-N 3.41Å | ||
| 54 | N | 36.4 | Very low | 50.7 | Low | 137 Ų | 137 | 74.1 Ų | 74.1 | 73% | 0.733 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 38.2 | 42.9 | 170.4 | -75.8 | 3 | 0 | 0 | 0 | 116 | V52 Q56 | V52-N54 PolarHBondContact O-N 3.36Å; N54-Q56 PolarHBondContact O-N 3.48Å |
| 55 | V | 38.4 | Very low | 47.8 | Very low | 95 Ų | 95 | 69.9 Ų | 69.9 | 58% | 0.576 | 42% | 0.419 | S | S | * | . | trans | -78.3 | 57.1 | 164.1 | -167 | 0 | 0 | 0 | 0 | 108.5 | S53 | S53-V55 PolarHBondContact O-N 3.41Š| ||
| 56 | Q | 35.6 | Very low | 44.9 | Very low | 121 Ų | 121 | 75 Ų | 75 | 57% | 0.565 | 45% | 0.45 | S | S | * | . | trans | -84.2 | 144.7 | 164.3 | -72.2 | 178.3 | -35.4 | 0 | 0 | 108 | N54 | N54-Q56 PolarHBondContact O-N 3.48Š| ||
| 57 | S | 39.6 | Very low | 42.4 | Very low | 94 Ų | 94 | 81 Ų | 81 | 66% | 0.657 | 47% | 0.468 | S | S | * | . | S | Bend | trans | 60.8 | 143.2 | 167 | 65.2 | 0 | 0 | 0 | 0 | 118.8 | ||
| 58 | S | 34.5 | Very low | 40.1 | Very low | 109 Ų | 109 | 88 Ų | 88 | 76% | 0.762 | 50% | 0.499 | S | S | * | . | trans | 68.6 | 43.7 | 172.1 | 71.3 | 0 | 0 | 0 | 0 | 118.4 | N60 | S58-N60 PolarHBondContact O-N 3.37Š| ||
| 59 | I | 37.3 | Very low | 37.9 | Very low | 41 Ų | 41 | 91.1 Ų | 91.1 | 21% | 0.21 | 51% | 0.511 | C | S | . | . | trans | -74.5 | 96.5 | 163.9 | -56.9 | -178.5 | 0 | 0 | 0 | 109.5 | H61 L64 | I59-H61 PolarHBondContact O-N 3.28Å; I59-L64 HydrophobicContact CG2-CD1 3.65Å; I59-L64 HydrophobicContact CG2-CG 3.9Å | ||
| 60 | N | 40.8 | Very low | 36.2 | Very low | 82 Ų | 82 | 94.9 Ų | 94.9 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | trans | -60.9 | 129.4 | 162.4 | -178.2 | -5.3 | 0 | 0 | 0 | 109 | S58 D62 N63 | S58-N60 PolarHBondContact O-N 3.37Å; N60-D62 PolarHBondContact O-N 3.39Å; N60-D62 PolarHBondContact OD1-N 3.42Å; N60-N63 PolarHBondContact O-N 3.46Å | ||
| 61 | H | 40.1 | Very low | 34.8 | Very low | 18 Ų | 18 | 97.5 Ų | 97.5 | 8% | 0.083 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -21.6 | -179.8 | -72.7 | -51.6 | 0 | 0 | 0 | 114 | I59 V607 T608 R609 | I59-H61 PolarHBondContact O-N 3.28Å; H61-V607 PolarHBondContact CE1-O 3.21Å; H61-T608 WeakPolarHBondContact CE1-CA 3.42Å; H61-T608 VanDerWaalsContact NE2-C 3.27Å; H61-R609 WeakPolarHBondContact NE2-CA 3.45Å; H61-R609 WeakPolarHBondContact NE2-CB 3.18Å; H61-R609 WeakPolarHBondContact NE2-CG 3.27Å; H61-R609 PolarHBondContact NE2-N 3.33Å |
| 62 | D | 41.6 | Very low | 34 | Very low | 24 Ų | 24 | 98.1 Ų | 98.1 | 13% | 0.128 | 53% | 0.525 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -10.1 | 177.2 | -62.8 | -35.3 | 0 | 0 | 0 | 113.9 | R33 N60 S65 F615 | R33-D62 WeakPolarHBondContact CD-OD1 3.37Å; R33-D62 IonicContact CZ-OD1 3.71Å; R33-D62 IonicContact NE-OD1 3.57Å; R33-D62 IonicContact NH1-OD1 2.7Å; R33-D62 PolarHBondContact NH1-OD1 3.21Å; N60-D62 PolarHBondContact O-N 3.39Å; N60-D62 PolarHBondContact OD1-N 3.42Å; D62-S65 WeakPolarHBondContact O-CB 3.48Å; D62-S65 PolarHBondContact O-OG 3.19Å; D62-F615 WeakPolarHBondContact OD2-CD2 3.42Å; D62-F615 WeakPolarHBondContact OD2-CE2 3.21Å |
| 63 | N | 38 | Very low | 33 | Very low | 118 Ų | 118 | 102.5 Ų | 102.5 | 63% | 0.631 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -92.5 | -10.9 | -177.9 | -76.6 | -6.5 | 0 | 0 | 0 | 115.1 | N60 S65 | N60-N63 PolarHBondContact O-N 3.46Å; N63-S65 PolarHBondContact O-N 2.86Å |
| 64 | L | 30.7 | Very low | 32.5 | Very low | 56 Ų | 56 | 106 Ų | 106 | 29% | 0.293 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -86.9 | 21.2 | 174.5 | -82.4 | 172.4 | 0 | 0 | 0 | 113.8 | V43 I59 L606 | V43-L64 HydrophobicContact CG1-CB 4.31Å; V43-L64 HydrophobicContact CG1-CD1 4.49Å; I59-L64 HydrophobicContact CG2-CD1 3.65Å; I59-L64 HydrophobicContact CG2-CG 3.9Å; L64-L606 HydrophobicContact CD1-CD1 3.5Å; L64-L606 VanDerWaalsContact CD1-CD1 3.5Å |
| 65 | S | 29.8 | Very low | 32 | Very low | 17 Ų | 17 | 107.5 Ų | 107.5 | 12% | 0.119 | 55% | 0.546 | C | S | . | . | trans | -100.2 | -4.4 | -163.9 | 49.5 | 0 | 0 | 0 | 0 | 114.7 | N34 D62 N63 Y67 | N34-S65 VanDerWaalsContact CG-OG 3.3Å; N34-S65 WeakPolarHBondContact ND2-CB 3.1Å; N34-S65 PolarHBondContact ND2-OG 3.4Å; N34-S65 WeakPolarHBondContact OD1-CB 3.36Å; N34-S65 PolarHBondContact OD1-OG 3.26Å; N34-S65 VanDerWaalsContact OD1-OG 3.08Å; D62-S65 WeakPolarHBondContact O-CB 3.48Å; D62-S65 PolarHBondContact O-OG 3.19Å; N63-S65 PolarHBondContact O-N 2.86Å; S65-Y67 PolarHBondContact O-N 2.98Å | ||
| 66 | T | 26.1 | Very low | 31.4 | Very low | 109 Ų | 109 | 108.5 Ų | 108.5 | 67% | 0.669 | 55% | 0.554 | S | S | * | * | trans | -77.1 | 58.6 | -179.1 | 32.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 67 | Y | 25.8 | Very low | 31.1 | Very low | 168 Ų | 168 | 110.3 Ų | 110.3 | 66% | 0.659 | 57% | 0.568 | S | S | * | * | trans | -125.8 | 98.8 | 154.5 | -81.1 | -70.9 | 0 | 0 | 0 | 109.7 | R44 S65 F69 | R44-Y67 HydrophobicContact CB-CE2 4.17Å; S65-Y67 PolarHBondContact O-N 2.98Å; Y67-F69 PolarHBondContact O-N 3.38Å | ||
| 68 | H | 28.8 | Very low | 30.4 | Very low | 167 Ų | 167 | 112.2 Ų | 112.2 | 77% | 0.773 | 58% | 0.576 | S | S | * | * | trans | -58.7 | 129.8 | 170.4 | -77 | 10.5 | 0 | 0 | 0 | 110.2 | H70 | H68-H70 VanDerWaalsContact C-N 3.33Å; H68-H70 PolarHBondContact O-N 3.19Å | ||
| 69 | F | 27.1 | Very low | 30.1 | Very low | 110 Ų | 110 | 112.2 Ų | 112.2 | 48% | 0.482 | 58% | 0.576 | S | S | . | * | trans | -67.2 | 96.1 | 160.6 | -66.6 | -91.8 | 0 | 0 | 0 | 107.6 | P36 Y67 I71 | P36-F69 HydrophobicContact CG-CE2 4.25Å; Y67-F69 PolarHBondContact O-N 3.38Å; F69-I71 PolarHBondContact O-N 3.29Å | ||
| 70 | H | 25.1 | Very low | 29.7 | Very low | 166 Ų | 166 | 116 Ų | 116 | 77% | 0.769 | 60% | 0.601 | S | S | * | * | trans | -65.3 | 92 | 162.8 | -95.6 | -66.8 | 0 | 0 | 0 | 108.4 | H68 D72 | H68-H70 VanDerWaalsContact C-N 3.33Å; H68-H70 PolarHBondContact O-N 3.19Å; H70-D72 PolarHBondContact O-N 2.72Å | ||
| 71 | I | 27.2 | Very low | 29.2 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 66% | 0.662 | 62% | 0.619 | S | S | * | * | trans | -73.9 | 106.7 | 153.5 | -59.9 | 177.4 | 0 | 0 | 0 | 104.6 | F69 E73 | F69-I71 PolarHBondContact O-N 3.29Å; I71-E73 VanDerWaalsContact C-N 3.27Å; I71-E73 HydrophobicContact CG2-CG 4.33Å; I71-E73 PolarHBondContact O-N 3.47Å | ||
| 72 | D | 25.7 | Very low | 28.5 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 69% | 0.69 | 66% | 0.655 | S | S | * | * | trans | -65.4 | 91.4 | 168.4 | -91.1 | -31 | 0 | 0 | 0 | 108.9 | H70 Q74 | H70-D72 PolarHBondContact O-N 2.72Å; D72-Q74 PolarHBondContact O-N 3.42Å | ||
| 73 | E | 26.4 | Very low | 28 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | trans | -71.7 | 73 | 162.2 | -70.8 | -163.7 | 159.2 | 0 | 0 | 109.6 | I71 K75 | I71-E73 VanDerWaalsContact C-N 3.27Å; I71-E73 HydrophobicContact CG2-CG 4.33Å; I71-E73 PolarHBondContact O-N 3.47Å; E73-K75 VanDerWaalsContact C-N 3.26Å; E73-K75 PolarHBondContact O-N 2.82Å | ||
| 74 | Q | 27 | Very low | 27.5 | Very low | 171 Ų | 171 | 131.2 Ų | 131.2 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | trans | -67.5 | 91.7 | 162.7 | -73.1 | -167.6 | -4.3 | 0 | 0 | 108.9 | D72 | D72-Q74 PolarHBondContact O-N 3.42Š| ||
| 75 | K | 26.3 | Very low | 27.4 | Very low | 168 Ų | 168 | 136 Ų | 136 | 73% | 0.73 | 71% | 0.713 | S | S | * | * | trans | -51.5 | 129 | 168 | -74.4 | 178.3 | 175.1 | 175.8 | 0 | 109.7 | E73 N77 | E73-K75 VanDerWaalsContact C-N 3.26Å; E73-K75 PolarHBondContact O-N 2.82Å; K75-N77 PolarHBondContact O-N 3.42Å | ||
| 76 | P | 25.9 | Very low | 27.4 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | trans | -73.4 | 110.3 | 166.5 | 30.1 | -30.6 | 0 | 0 | 0 | 108.3 | T78 | P76-T78 PolarHBondContact O-N 3.26Å; P76-T78 VanDerWaalsContact O-N 3.08Å | ||
| 77 | N | 29.3 | Very low | 27.5 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | trans | -68.3 | 106.9 | 170.3 | -85.6 | -14.3 | 0 | 0 | 0 | 109.3 | K75 | K75-N77 PolarHBondContact O-N 3.42Š| ||
| 78 | T | 26.1 | Very low | 27.6 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 82% | 0.816 | 76% | 0.756 | S | S | * | * | trans | -76.2 | 122.3 | 169.1 | 46.9 | 0 | 0 | 0 | 0 | 110.7 | P76 | P76-T78 PolarHBondContact O-N 3.26Å; P76-T78 VanDerWaalsContact O-N 3.08Å | ||
| 79 | S | 26.8 | Very low | 27.5 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | -158.9 | 138.8 | 149.9 | 64.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 80 | V | 28.5 | Very low | 27.5 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | 89.4 | 103.6 | 152.8 | -159.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 81 | H | 31.6 | Very low | 27.6 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 82% | 0.819 | 77% | 0.774 | S | S | * | * | trans | 72.1 | 136.8 | 145.4 | -70.9 | -51.5 | 0 | 0 | 0 | 125.2 | ||||
| 82 | E | 25.1 | Very low | 27.6 | Very low | 179 Ų | 179 | 137 Ų | 137 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | -88.9 | 146.2 | 176.1 | -53.4 | 146.9 | 119.9 | 0 | 0 | 111.2 | ||||
| 83 | S | 30.4 | Very low | 27.7 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -169 | 116.9 | 131.6 | 51 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 84 | S | 28.8 | Very low | 27.7 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | trans | 15.4 | 137.6 | 144.1 | 57.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 85 | D | 27.7 | Very low | 27.7 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | 71.4 | 144.9 | 144.3 | -55.7 | -17.8 | 0 | 0 | 0 | 118.5 | ||||
| 86 | S | 30.5 | Very low | 27.7 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | cis | -157.5 | -179.4 | -1.9 | 39.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 87 | D | 26.9 | Very low | 27.7 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -53.6 | 138.1 | -176.7 | -75.9 | -60.2 | 0 | 0 | 0 | 115.9 | ||||
| 88 | S | 27.9 | Very low | 27.6 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | 151.5 | 139.4 | 105.3 | 60.4 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 89 | S | 27.4 | Very low | 27.7 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | 74.4 | 135 | 153.4 | 82 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 90 | M | 26.6 | Very low | 27.6 | Very low | 171 Ų | 171 | 133.2 Ų | 133.2 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | 53.7 | 86.1 | 140.9 | -59.1 | -88.2 | 87.5 | 0 | 0 | 119.5 | ||||
| 91 | S | 27.5 | Very low | 27.5 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | 173.1 | 143.3 | 113.8 | 47 | 0 | 0 | 0 | 0 | 111.5 | P93 | S91-P93 WeakPolarHBondContact O-CD 3.41Š| |||
| 92 | S | 27.1 | Very low | 27.3 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 120.8 | -179.2 | -50.9 | 0 | 0 | 0 | 0 | 110.9 | S94 | S92-S94 PolarHBondContact O-N 2.96Š|
| 93 | P | 28.7 | Very low | 27.5 | Very low | 119 Ų | 119 | 129 Ų | 129 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 122.6 | 165.5 | -12.4 | 28.6 | 0 | 0 | 0 | 109.1 | S91 L95 | S91-P93 WeakPolarHBondContact O-CD 3.41Å; P93-L95 PolarHBondContact O-N 2.8Å |
| 94 | S | 26.4 | Very low | 27.4 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 121.2 | 176.8 | 49 | 0 | 0 | 0 | 0 | 111.6 | S92 | S92-S94 PolarHBondContact O-N 2.96Š|
| 95 | L | 26.6 | Very low | 27.3 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 144.4 | 161.3 | -94.5 | 89.8 | 0 | 0 | 0 | 109.7 | P93 S97 | P93-L95 PolarHBondContact O-N 2.8Å; L95-S97 PolarHBondContact O-N 2.86Å |
| 96 | P | 26.8 | Very low | 27.7 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 128.8 | 177.8 | -21 | 32.3 | 0 | 0 | 0 | 111.2 | G98 | P96-G98 PolarHBondContact O-N 3.25Š|
| 97 | S | 25.3 | Very low | 27.6 | Very low | 115 Ų | 115 | 134 Ų | 134 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -74 | 65.7 | 178 | 43.9 | 0 | 0 | 0 | 0 | 112 | L95 H99 | L95-S97 PolarHBondContact O-N 2.86Å; S97-H99 PolarHBondContact O-N 2.8Å | ||
| 98 | G | 27.9 | Very low | 27.7 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | -68.7 | 36.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P96 Q100 | P96-G98 PolarHBondContact O-N 3.25Å; G98-Q100 PolarHBondContact O-N 3.39Å | ||
| 99 | H | 26.7 | Very low | 27.8 | Very low | 187 Ų | 187 | 137.4 Ų | 137.4 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | trans | -79.5 | 64 | 170.8 | -83.3 | -47.2 | 0 | 0 | 0 | 110.8 | S97 S101 | S97-H99 PolarHBondContact O-N 2.8Å; H99-S101 PolarHBondContact O-N 2.83Å | ||
| 100 | Q | 25.5 | Very low | 28 | Very low | 178 Ų | 178 | 137.6 Ų | 137.6 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -72.6 | 110.6 | 156.8 | -76.8 | -171.5 | -6 | 0 | 0 | 108.2 | G98 F102 | G98-Q100 PolarHBondContact O-N 3.39Å; Q100-F102 PolarHBondContact O-N 2.85Å | ||
| 101 | S | 26.1 | Very low | 28.2 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | trans | -58.3 | 115.5 | 170.4 | 46.9 | 0 | 0 | 0 | 0 | 109.4 | H99 D103 | H99-S101 PolarHBondContact O-N 2.83Å; S101-D103 PolarHBondContact O-N 2.83Å | ||
| 102 | F | 28.2 | Very low | 29.1 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | -76 | 38.1 | 170 | -118.3 | -89.8 | 0 | 0 | 0 | 112.1 | Q100 R104 | Q100-F102 PolarHBondContact O-N 2.85Å; F102-R104 PolarHBondContact O-N 2.82Å | ||
| 103 | D | 27.7 | Very low | 30.4 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 69% | 0.69 | 74% | 0.743 | S | S | * | * | trans | -82.3 | 73.5 | 147.2 | -90 | -46 | 0 | 0 | 0 | 105.8 | S101 Q105 | S101-D103 PolarHBondContact O-N 2.83Å; D103-Q105 PolarHBondContact O-N 2.84Å | ||
| 104 | R | 28.8 | Very low | 32.1 | Very low | 193 Ų | 193 | 135.2 Ų | 135.2 | 73% | 0.728 | 73% | 0.728 | S | S | * | * | trans | -70 | 111.1 | 157 | -81.3 | -169.7 | -177.7 | 178.3 | 0.2 | 105.9 | F102 L106 | F102-R104 PolarHBondContact O-N 2.82Å; R104-L106 PolarHBondContact O-N 3.41Å | ||
| 105 | Q | 27.8 | Very low | 34.1 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 70% | 0.696 | 70% | 0.697 | S | S | * | * | trans | -48.4 | 126.7 | 154.1 | -74.7 | 178.4 | -100.6 | 0 | 0 | 107.5 | D103 D107 | D103-Q105 PolarHBondContact O-N 2.84Å; Q105-D107 HydrophobicContact CB-CB 4.04Å; Q105-D107 WeakPolarHBondContact CB-OD2 3.43Å; Q105-D107 WeakPolarHBondContact CG-OD2 3.33Å; Q105-D107 PolarHBondContact NE2-OD2 2.87Å; Q105-D107 PolarHBondContact O-N 3.29Å | ||
| 106 | L | 35 | Very low | 36.3 | Very low | 132 Ų | 132 | 124.3 Ų | 124.3 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -87.6 | 37.3 | 170.4 | -86.3 | 160.8 | 0 | 0 | 0 | 108.9 | R104 L348 | R104-L106 PolarHBondContact O-N 3.41Å; L106-L348 HydrophobicContact CD1-CD1 4.04Å; L106-L348 HydrophobicContact CD1-CD2 4.14Å |
| 107 | D | 28.6 | Very low | 38.9 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 58% | 0.578 | 65% | 0.651 | S | S | * | * | trans | -105.8 | 7.4 | -169.8 | -48.9 | -11.7 | 0 | 0 | 0 | 110.9 | Q105 E109 | Q105-D107 HydrophobicContact CB-CB 4.04Å; Q105-D107 WeakPolarHBondContact CB-OD2 3.43Å; Q105-D107 WeakPolarHBondContact CG-OD2 3.33Å; Q105-D107 PolarHBondContact NE2-OD2 2.87Å; Q105-D107 PolarHBondContact O-N 3.29Å; D107-E109 VanDerWaalsContact C-N 3.31Å; D107-E109 PolarHBondContact O-N 3.45Å; D107-E109 VanDerWaalsContact O-N 3.15Å | ||
| 108 | D | 28.9 | Very low | 41.8 | Very low | 142 Ų | 142 | 117.1 Ų | 117.1 | 76% | 0.759 | 62% | 0.618 | S | S | * | * | trans | -81.8 | 78.1 | 166.4 | -88.4 | -31.8 | 0 | 0 | 0 | 109.6 | T110 | D108-T110 PolarHBondContact O-N 3Š| ||
| 109 | E | 31.2 | Very low | 44.8 | Very low | 189 Ų | 189 | 115.2 Ų | 115.2 | 88% | 0.883 | 59% | 0.59 | S | S | * | * | trans | -69.8 | 46.4 | 165.1 | -67.6 | -168 | 138.9 | 0 | 0 | 111.9 | D107 | D107-E109 VanDerWaalsContact C-N 3.31Å; D107-E109 PolarHBondContact O-N 3.45Å; D107-E109 VanDerWaalsContact O-N 3.15Å | ||
| 110 | T | 29.8 | Very low | 47.9 | Very low | 109 Ų | 109 | 106.3 Ų | 106.3 | 67% | 0.669 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -139.3 | 104.5 | 174.5 | 48.5 | 0 | 0 | 0 | 0 | 113.1 | D108 | D108-T110 PolarHBondContact O-N 3Š|
| 111 | N | 32.2 | Very low | 51.1 | Low | 170 Ų | 170 | 98.3 Ų | 98.3 | 91% | 0.909 | 51% | 0.512 | S | S | * | . | trans | 65.4 | 54.4 | 150.9 | -138.8 | 23.1 | 0 | 0 | 0 | 117.9 | ||||
| 112 | S | 46.3 | Very low | 54.1 | Low | 67 Ų | 67 | 93.8 Ų | 93.8 | 47% | 0.469 | 48% | 0.48 | S | S | . | . | trans | -87.3 | 122.6 | 160.1 | 39.8 | 0 | 0 | 0 | 0 | 110.8 | Y114 | S112-Y114 WeakPolarHBondContact O-CD2 3.49Å; S112-Y114 PolarHBondContact O-N 2.89Å; S112-Y114 WeakPolarHBondContact OG-CE2 3.24Å; S112-Y114 PolarHBondContact OG-OH 3.17Å | ||
| 113 | D | 55.1 | Low | 56.8 | Low | 128 Ų | 128 | 86.6 Ų | 86.6 | 68% | 0.684 | 45% | 0.452 | S | S | * | . | trans | -74.7 | 94.4 | 177.4 | -179 | 9.5 | 0 | 0 | 0 | 110.9 | S115 | D113-S115 PolarHBondContact O-N 3.09Å; D113-S115 WeakPolarHBondContact OD1-CB 3.24Å; D113-S115 PolarHBondContact OD1-N 2.65Å; D113-S115 PolarHBondContact OD1-OG 2.74Å; D113-S115 PolarHBondContact OD2-OG 3.46Å | ||
| 114 | Y | 63.9 | Low | 59.1 | Low | 113 Ų | 113 | 81.8 Ų | 81.8 | 44% | 0.443 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | 3.5 | 176.4 | -62.4 | -72.1 | 0 | 0 | 0 | 113.9 | S112 G116 Y518 P549 | S112-Y114 WeakPolarHBondContact O-CD2 3.49Å; S112-Y114 PolarHBondContact O-N 2.89Å; S112-Y114 WeakPolarHBondContact OG-CE2 3.24Å; S112-Y114 PolarHBondContact OG-OH 3.17Å; Y114-G116 PolarHBondContact O-N 2.74Å; Y114-Y518 AromaticContact CD2-CD1 3.98Å; Y114-Y518 HydrophobicContact CD2-CD1 3.98Å; Y114-Y518 AromaticContact CD2-CE1 3.48Å; Y114-Y518 HydrophobicContact CD2-CE1 3.48Å; Y114-Y518 VanDerWaalsContact CD2-CE1 3.48Å; Y114-Y518 AromaticContact CE2-CE1 3.98Å; Y114-Y518 HydrophobicContact CE2-CE1 3.98Å; Y114-Y518 HydrophobicContact CG-CD1 4Å; Y114-Y518 AromaticContact CG-CE1 3.9Å; Y114-Y518 HydrophobicContact CG-CE1 3.9Å; Y114-P549 HydrophobicContact CD1-CB 4.38Å; Y114-P549 HydrophobicContact CD1-CG 3.7Å; Y114-P549 HydrophobicContact CE1-CG 3.94Å; Y114-P549 HydrophobicContact CG-CG 4.43Å |
| 115 | S | 66.9 | Low | 61.6 | Low | 24 Ų | 24 | 72.9 Ų | 72.9 | 17% | 0.168 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -29.2 | 174.4 | 76.1 | 0 | 0 | 0 | 0 | 112.6 | S47 L48 D113 R515 | S47-S115 CarbonylContact C-O 3.6Å; S47-S115 WeakPolarHBondContact CA-O 3.36Å; S47-S115 PolarHBondContact OG-O 3.31Å; L48-S115 PolarHBondContact N-O 3.25Å; D113-S115 PolarHBondContact O-N 3.09Å; D113-S115 WeakPolarHBondContact OD1-CB 3.24Å; D113-S115 PolarHBondContact OD1-N 2.65Å; D113-S115 PolarHBondContact OD1-OG 2.74Å; D113-S115 PolarHBondContact OD2-OG 3.46Å; S115-R515 PolarHBondContact O-NH2 2.9Å; S115-R515 VanDerWaalsContact O-NH2 3.11Å |
| 116 | G | 73.3 | Confident | 64 | Low | 21 Ų | 21 | 66.8 Ų | 66.8 | 22% | 0.216 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -58.1 | 174.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | Y114 R515 | Y114-G116 PolarHBondContact O-N 2.74Å; G116-R515 PolarHBondContact O-NH1 3.04Å; G116-R515 PolarHBondContact O-NH2 3.28Å |
| 117 | P | 80.9 | Confident | 66 | Low | 70 Ų | 70 | 60.5 Ų | 60.5 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | trans | -63 | 141 | 179.8 | 25.4 | -33.6 | 0 | 0 | 0 | 112.3 | R44 L45 | R44-P117 HydrophobicContact CG-CB 3.63Å; L45-P117 WeakPolarHBondContact O-CA 3.36Å | ||
| 118 | I | 87.1 | Confident | 67.9 | Low | 21 Ų | 21 | 56.8 Ų | 56.8 | 11% | 0.108 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 124.2 | -178.8 | -62.4 | 176.1 | 0 | 0 | 0 | 108.8 | L45 V120 K548 P549 V551 | L45-I118 WeakPolarHBondContact CB-O 3.48Å; L45-I118 WeakPolarHBondContact CG-O 3.3Å; L45-I118 PolarHBondContact N-O 3.23Å; L45-I118 PolarHBondContact O-N 3.04Å; I118-V120 HydrophobicContact CG2-CG1 4.41Å; I118-K548 HydrophobicContact CG2-CB 3.84Å; I118-K548 HydrophobicContact CG2-CD 4.23Å; I118-K548 HydrophobicContact CG2-CG 4.09Å; I118-P549 WeakPolarHBondContact CD1-O 3.29Å; I118-V551 HydrophobicContact CD1-CG2 3.99Å; I118-V551 HydrophobicContact CG2-CG2 4.26Å |
| 119 | D | 90.4 | Very high | 69.1 | Low | 32 Ų | 32 | 50 Ų | 50 | 17% | 0.171 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 136.6 | 175.3 | -60.2 | -36.6 | 0 | 0 | 0 | 110.9 | V43 R44 R367 K548 | V43-D119 CarbonylContact O-C 3.59Å; V43-D119 VanDerWaalsContact O-CA 3.31Å; V43-D119 WeakPolarHBondContact O-CA 3.24Å; R44-D119 WeakPolarHBondContact CB-OD1 3.12Å; R44-D119 IonicContact CZ-OD1 2.67Å; R44-D119 IonicContact CZ-OD2 3.77Å; R44-D119 IonicContact NE-OD1 3.11Å; R44-D119 PolarHBondContact NE-OD1 3.43Å; R44-D119 IonicContact NE-OD2 3.76Å; R44-D119 IonicContact NH2-OD1 2.73Å; R44-D119 PolarHBondContact NH2-OD1 2.87Å; R44-D119 IonicContact NH2-OD2 3.15Å; R44-D119 PolarHBondContact NH2-OD2 3.11Å; D119-R367 HydrophobicContact CB-CG 3.76Å; D119-K548 WeakPolarHBondContact O-CD 3.48Å; D119-K548 WeakPolarHBondContact O-CE 3.42Å; D119-K548 PolarHBondContact O-NZ 3.45Å |
| 120 | V | 91.7 | Very high | 69.9 | Low | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 154.8 | 177.5 | -65.1 | 0 | 0 | 0 | 0 | 111.7 | S42 V43 L45 I118 L122 I513 L543 K548 V551 | S42-V120 CarbonylContact C-O 3.59Å; S42-V120 WeakPolarHBondContact CA-O 3.23Å; V43-V120 HydrophobicContact CG2-CG2 3.59Å; V43-V120 PolarHBondContact N-O 3.45Å; V43-V120 PolarHBondContact O-N 3.47Å; L45-V120 HydrophobicContact CD1-CG1 3.73Å; L45-V120 HydrophobicContact CD1-CG2 4.2Å; L45-V120 HydrophobicContact CD2-CG2 3.8Å; L45-V120 HydrophobicContact CG-CG1 4.14Å; L45-V120 HydrophobicContact CG-CG2 3.87Å; I118-V120 HydrophobicContact CG2-CG1 4.41Å; V120-L122 HydrophobicContact CG2-CD2 4.32Å; V120-I513 HydrophobicContact CG1-CG2 4.41Å; V120-I513 HydrophobicContact CG2-CG1 4.36Å; V120-I513 HydrophobicContact CG2-CG2 4.37Å; V120-L543 HydrophobicContact CG1-CD1 4.31Å; V120-K548 HydrophobicContact CG1-CD 3.96Å; V120-V551 HydrophobicContact CG1-CG1 4.29Å |
| 121 | D | 92.2 | Very high | 70.6 | Confident | 9 Ų | 9 | 40.6 Ų | 40.6 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 111.7 | -176.2 | -71.5 | -51.4 | 0 | 0 | 0 | 112.2 | S42 N125 F368 K511 | S42-D121 VanDerWaalsContact CB-OD1 3.28Å; S42-D121 WeakPolarHBondContact CB-OD1 3.3Å; S42-D121 PolarHBondContact OG-OD1 2.9Å; D121-N125 HydrophobicContact CB-CB 3.73Å; D121-F368 HydrophobicContact CB-CB 4.4Å; D121-F368 VanDerWaalsContact CG-N 3.31Å; D121-F368 WeakPolarHBondContact OD1-CB 3.44Å; D121-F368 PolarHBondContact OD1-N 3.26Å; D121-F368 PolarHBondContact OD2-N 3.03Å; D121-F368 VanDerWaalsContact OD2-N 3.09Å; D121-K511 PolarHBondContact O-NZ 3.41Å |
| 122 | L | 90.3 | Very high | 71.3 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -77.2 | -33.3 | -172.7 | -59.8 | -170.4 | 0 | 0 | 0 | 113.6 | H41 V43 V120 K511 I513 L606 T608 W610 | H41-L122 PolarHBondContact O-N 3.31Å; V43-L122 HydrophobicContact CB-CD1 4.43Å; V43-L122 HydrophobicContact CG1-CD1 3.63Å; V43-L122 HydrophobicContact CG1-CG 4.15Å; V43-L122 HydrophobicContact CG2-CD1 3.9Å; V43-L122 HydrophobicContact CG2-CD2 3.75Å; V43-L122 HydrophobicContact CG2-CG 3.79Å; V120-L122 HydrophobicContact CG2-CD2 4.32Å; L122-K511 VanDerWaalsContact O-CD 3.28Å; L122-K511 WeakPolarHBondContact O-CD 3.18Å; L122-K511 VanDerWaalsContact O-CE 3.27Å; L122-K511 WeakPolarHBondContact O-CE 3.49Å; L122-I513 HydrophobicContact CD2-CG1 4.06Å; L122-L606 HydrophobicContact CD1-CD1 4.18Å; L122-L606 HydrophobicContact CD1-CD2 4Å; L122-L606 HydrophobicContact CD2-CD1 4.3Å; L122-L606 HydrophobicContact CD2-CD2 3.58Å; L122-L606 HydrophobicContact CG-CD2 4.43Å; L122-T608 HydrophobicContact CB-CG2 4Å; L122-T608 HydrophobicContact CD2-CG2 4.42Å; L122-W610 HydrophobicContact CB-CZ2 4.45Å |
| 123 | G | 84.2 | Confident | 71.6 | Confident | 11 Ų | 11 | 40.9 Ų | 40.9 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -107.8 | -116.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | R39 N125 K511 | R39-G123 VanDerWaalsContact O-CA 3.31Å; R39-G123 WeakPolarHBondContact O-CA 3.23Å; G123-N125 PolarHBondContact O-N 2.81Å; G123-N125 PolarHBondContact O-OD1 2.84Å; G123-K511 VanDerWaalsContact O-CE 3.23Å; G123-K511 WeakPolarHBondContact O-CE 3.46Å; G123-K511 PolarHBondContact O-NZ 2.92Å |
| 124 | A | 75.9 | Confident | 71.8 | Confident | 27 Ų | 27 | 35 Ų | 35 | 22% | 0.223 | 19% | 0.188 | C | C | . | . | trans | -65 | 129 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | I40 F368 T698 | I40-A124 HydrophobicContact CG1-CB 4.5Å; A124-F368 HydrophobicContact CB-CD1 4.07Å; A124-F368 HydrophobicContact CB-CE1 3.82Å; A124-F368 HydrophobicContact CB-CZ 4.16Å; A124-F368 WeakPolarHBondContact O-CB 3.32Å; A124-F368 WeakPolarHBondContact O-CD1 3.1Å; A124-F368 WeakPolarHBondContact O-CG 3.47Å; A124-T698 WeakPolarHBondContact CB-OG1 3.34Å | ||
| 125 | N | 81.2 | Confident | 71.3 | Confident | 7 Ų | 7 | 31.4 Ų | 31.4 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | trans | -131.5 | -5.7 | 176.6 | 55.4 | -33.5 | 0 | 0 | 0 | 113.5 | D121 G123 L363 V364 F368 K511 | D121-N125 HydrophobicContact CB-CB 3.73Å; G123-N125 PolarHBondContact O-N 2.81Å; G123-N125 PolarHBondContact O-OD1 2.84Å; N125-L363 HydrophobicContact CB-CD1 3.86Å; N125-L363 VanDerWaalsContact ND2-CD1 3.27Å; N125-L363 WeakPolarHBondContact ND2-CD1 3.48Å; N125-V364 PolarHBondContact O-N 3.5Å; N125-F368 VanDerWaalsContact C-CD2 3.47Å; N125-F368 VanDerWaalsContact CA-CD2 3.49Å; N125-K511 VanDerWaalsContact CG-NZ 3.32Å; N125-K511 PolarHBondContact ND2-NZ 3.1Å; N125-K511 PolarHBondContact OD1-NZ 2.87Å; N125-K511 VanDerWaalsContact OD1-NZ 3.13Å | ||
| 126 | Y | 79.6 | Confident | 70.8 | Confident | 20 Ų | 20 | 31.7 Ų | 31.7 | 8% | 0.078 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 136.2 | -175.3 | -67.8 | -82.8 | 0 | 0 | 0 | 113.7 | T153 E165 L363 F368 L541 | Y126-T153 HydrophobicContact CD1-CG2 3.75Å; Y126-T153 HydrophobicContact CE1-CG2 3.48Å; Y126-T153 VanDerWaalsContact CE1-CG2 3.48Å; Y126-E165 HydrophobicContact CE2-CG 4.46Å; Y126-E165 WeakPolarHBondContact CE2-OE1 3.42Å; Y126-E165 PolarHBondContact OH-OE1 3.17Å; Y126-E165 VanDerWaalsContact OH-OE1 3.07Å; Y126-L363 HydrophobicContact CD1-CB 4.35Å; Y126-L363 HydrophobicContact CD1-CD1 4.11Å; Y126-L363 HydrophobicContact CE1-CB 4.14Å; Y126-L363 HydrophobicContact CE1-CD1 3.72Å; Y126-L363 HydrophobicContact CE2-CD1 4.18Å; Y126-L363 HydrophobicContact CG-CD1 4.5Å; Y126-F368 WeakPolarHBondContact O-CE2 3.45Å; Y126-L541 WeakPolarHBondContact OH-CD1 3.34Å; Y126-L541 WeakPolarHBondContact OH-CD2 3.2Å |
| 127 | L | 76.3 | Confident | 70.4 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 111.5 | 160.2 | -60.1 | -178.5 | 0 | 0 | 0 | 108.4 | L139 F140 A143 T150 D361 R362 V364 F368 L371 | L127-L139 HydrophobicContact CD2-CB 3.8Å; L127-F140 VanDerWaalsContact C-CE2 3.48Å; L127-F140 HydrophobicContact CB-CD1 4.42Å; L127-F140 HydrophobicContact CB-CD2 4.05Å; L127-F140 HydrophobicContact CB-CE1 4.03Å; L127-F140 HydrophobicContact CB-CE2 3.62Å; L127-F140 HydrophobicContact CB-CG 4.44Å; L127-F140 HydrophobicContact CB-CZ 3.61Å; L127-F140 HydrophobicContact CD1-CD1 4.38Å; L127-F140 VanDerWaalsContact O-CZ 3.27Å; L127-F140 WeakPolarHBondContact O-CZ 3.48Å; L127-A143 HydrophobicContact CD1-CB 3.61Å; L127-T150 HydrophobicContact CD1-CG2 3.81Å; L127-D361 WeakPolarHBondContact O-CA 3Å; L127-R362 HydrophobicContact CB-CB 4.43Å; L127-R362 PolarHBondContact N-O 2.88Å; L127-R362 PolarHBondContact O-N 3.48Å; L127-V364 HydrophobicContact CD1-CG2 4.48Å; L127-V364 HydrophobicContact CD2-CG2 4.49Å; L127-V364 HydrophobicContact CG-CG2 4.12Å; L127-F368 HydrophobicContact CD2-CE2 4Å; L127-F368 HydrophobicContact CD2-CZ 4.24Å; L127-L371 HydrophobicContact CD2-CD1 4.13Å |
| 128 | I | 68.8 | Low | 69.7 | Low | 30 Ų | 30 | 28.1 Ų | 28.1 | 15% | 0.154 | 15% | 0.154 | C | C | . | . | trans | -88.6 | 116.5 | -168.5 | -62.2 | -167.7 | 0 | 0 | 0 | 112.3 | Q137 W164 D361 C697 H699 | I128-Q137 PolarHBondContact O-NE2 3.36Å; I128-Q137 PolarHBondContact O-OE1 2.87Å; I128-W164 HydrophobicContact CB-CH2 3.48Å; I128-W164 VanDerWaalsContact CB-CH2 3.48Å; I128-W164 HydrophobicContact CB-CZ2 3.88Å; I128-W164 HydrophobicContact CB-CZ3 4.41Å; I128-W164 HydrophobicContact CD1-CH2 3.66Å; I128-W164 HydrophobicContact CD1-CZ2 3.54Å; I128-W164 HydrophobicContact CD1-CZ3 4.24Å; I128-W164 HydrophobicContact CG1-CH2 3.23Å; I128-W164 HydrophobicContact CG1-CZ2 3.65Å; I128-W164 HydrophobicContact CG1-CZ3 3.79Å; I128-W164 HydrophobicContact CG2-CH2 3.37Å; I128-W164 HydrophobicContact CG2-CZ2 3.31Å; I128-D361 WeakPolarHBondContact CA-OD1 3.22Å; I128-C697 HydrophobicContact CD1-CB 3.84Å; I128-H699 PolarHBondContact O-CE1 2.36Å | ||
| 129 | G | 53.6 | Low | 69.2 | Low | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -97.8 | -9.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | S131 D361 | G129-S131 PolarHBondContact O-N 3.42Å; G129-D361 PolarHBondContact N-OD1 3.47Å | ||
| 130 | C | 47.1 | Very low | 68.4 | Low | 28 Ų | 28 | 26.1 Ų | 26.1 | 19% | 0.189 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -18.4 | -155.1 | -35.6 | 0 | 0 | 0 | 0 | 117.4 | D156 W164 D361 | C130-D156 HydrophobicContact CB-CB 3.85Å; C130-D156 WeakPolarHBondContact CB-OD2 3.14Å; C130-D156 WeakPolarHBondContact SG-CB 3.37Å; C130-W164 WeakPolarHBondContact SG-CH2 3.17Å; C130-W164 WeakPolarHBondContact SG-CZ2 3.42Å; C130-D361 PolarHBondContact SG-OD1 2.91Å; C130-D361 PolarHBondContact SG-OD2 2.9Å |
| 131 | S | 45.7 | Very low | 67.4 | Low | 72 Ų | 72 | 27 Ų | 27 | 50% | 0.503 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -17.4 | -172.4 | 62 | 0 | 0 | 0 | 0 | 115.2 | G129 | G129-S131 PolarHBondContact O-N 3.42Š|
| 132 | N | 46.9 | Very low | 66.6 | Low | 63 Ų | 63 | 26.7 Ų | 26.7 | 34% | 0.337 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -145.8 | 172.6 | -174 | -72.1 | -80.1 | 0 | 0 | 0 | 110.1 | D136 Q137 | N132-D136 HydrophobicContact CB-CB 3.98Å; N132-Q137 HydrophobicContact CB-CG 4.23Å |
| 133 | R | 53 | Low | 66.1 | Low | 180 Ų | 180 | 26.6 Ų | 26.6 | 68% | 0.679 | 15% | 0.145 | S | C | * | . | trans | -68.9 | 147.8 | 170.4 | -55.9 | 172.3 | 172 | -178.2 | -3.2 | 108.1 | A135 D136 | R133-A135 PolarHBondContact O-N 2.91Å; R133-A135 VanDerWaalsContact O-N 3.08Å; R133-D136 VanDerWaalsContact CB-OD2 3.25Å; R133-D136 WeakPolarHBondContact CB-OD2 3.49Å; R133-D136 WeakPolarHBondContact CG-OD2 3.35Å; R133-D136 PolarHBondContact N-OD2 3.46Å; R133-D136 WeakPolarHBondContact O-CA 3.45Å; R133-D136 WeakPolarHBondContact O-CB 3.33Å; R133-D136 PolarHBondContact O-N 3.41Å | ||
| 134 | Q | 58.3 | Low | 65.8 | Low | 5 Ų | 5 | 30.1 Ų | 30.1 | 2% | 0.023 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -55.6 | -31.2 | 174.4 | -69 | 179.9 | -13.4 | 0 | 0 | 113.1 | D136 Q137 F140 K353 V355 E360 | Q134-D136 PolarHBondContact O-N 3.35Å; Q134-Q137 PolarHBondContact O-N 3.32Å; Q134-F140 HydrophobicContact CB-CD1 4.11Å; Q134-F140 HydrophobicContact CB-CE1 4.41Å; Q134-F140 HydrophobicContact CB-CG 4.17Å; Q134-F140 HydrophobicContact CG-CD1 3.97Å; Q134-F140 HydrophobicContact CG-CD2 4.46Å; Q134-F140 HydrophobicContact CG-CE1 3.76Å; Q134-F140 HydrophobicContact CG-CE2 4.26Å; Q134-F140 HydrophobicContact CG-CG 4.31Å; Q134-F140 HydrophobicContact CG-CZ 3.91Å; Q134-K353 PolarHBondContact OE1-O 2.87Å; Q134-V355 VanDerWaalsContact CD-CG2 3.49Å; Q134-E360 PolarHBondContact NE2-O 3.22Å |
| 135 | A | 54.7 | Low | 65.7 | Low | 37 Ų | 37 | 31.2 Ų | 31.2 | 31% | 0.306 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -62.5 | -24.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R133 Q137 I354 T748 | R133-A135 PolarHBondContact O-N 2.91Å; R133-A135 VanDerWaalsContact O-N 3.08Å; A135-Q137 VanDerWaalsContact C-N 3.32Å; A135-I354 HydrophobicContact CB-CG2 4.43Å; A135-T748 PolarHBondContact O-OG1 2.89Å |
| 136 | D | 54.8 | Low | 65.7 | Low | 30 Ų | 30 | 34 Ų | 34 | 16% | 0.16 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -87.3 | -2.9 | -178.7 | -55.3 | -25.6 | 0 | 0 | 0 | 111.9 | N132 R133 Q134 S744 S747 | N132-D136 HydrophobicContact CB-CB 3.98Å; R133-D136 VanDerWaalsContact CB-OD2 3.25Å; R133-D136 WeakPolarHBondContact CB-OD2 3.49Å; R133-D136 WeakPolarHBondContact CG-OD2 3.35Å; R133-D136 PolarHBondContact N-OD2 3.46Å; R133-D136 WeakPolarHBondContact O-CA 3.45Å; R133-D136 WeakPolarHBondContact O-CB 3.33Å; R133-D136 PolarHBondContact O-N 3.41Å; Q134-D136 PolarHBondContact O-N 3.35Å; D136-S744 WeakPolarHBondContact OD1-CB 3.49Å; D136-S747 VanDerWaalsContact CA-OG 3.3Å; D136-S747 WeakPolarHBondContact CA-OG 3.34Å; D136-S747 WeakPolarHBondContact O-CB 3.35Å; D136-S747 PolarHBondContact O-OG 3.12Å |
| 137 | Q | 65 | Low | 65.9 | Low | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | trans | -112.8 | 118.1 | -168.5 | -68.9 | 175.1 | -32.1 | 0 | 0 | 112.4 | I128 N132 Q134 A135 L139 F140 H141 | I128-Q137 PolarHBondContact O-NE2 3.36Å; I128-Q137 PolarHBondContact O-OE1 2.87Å; N132-Q137 HydrophobicContact CB-CG 4.23Å; Q134-Q137 PolarHBondContact O-N 3.32Å; A135-Q137 VanDerWaalsContact C-N 3.32Å; Q137-L139 PolarHBondContact O-N 2.86Å; Q137-F140 HydrophobicContact CB-CB 4.48Å; Q137-F140 HydrophobicContact CB-CD2 3.98Å; Q137-F140 PolarHBondContact O-N 3.4Å; Q137-F140 VanDerWaalsContact OE1-CE2 3.23Å; Q137-H141 PolarHBondContact O-N 2.9Å | ||
| 138 | P | 66.9 | Low | 66.3 | Low | 7 Ų | 7 | 42 Ų | 42 | 5% | 0.045 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.7 | -37.5 | -174 | -29.9 | 36.4 | 0 | 0 | 0 | 115.7 | H141 L142 L702 F743 | P138-H141 WeakPolarHBondContact O-CB 3.44Å; P138-H141 PolarHBondContact O-N 3Å; P138-L142 VanDerWaalsContact O-CB 3.3Å; P138-L142 WeakPolarHBondContact O-CB 3.28Å; P138-L142 PolarHBondContact O-N 3.43Å; P138-L702 HydrophobicContact CB-CD2 4.2Å; P138-F743 HydrophobicContact CG-CE1 3.64Å; P138-F743 HydrophobicContact CG-CZ 4.4Å |
| 139 | L | 76.5 | Confident | 67 | Low | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -76.4 | -30.9 | -175.1 | -52.2 | 173.5 | 0 | 0 | 0 | 112.1 | I11 L127 Q137 H141 L142 A143 T698 H699 L702 | I11-L139 HydrophobicContact CD1-CD2 3.88Å; L127-L139 HydrophobicContact CD2-CB 3.8Å; Q137-L139 PolarHBondContact O-N 2.86Å; L139-H141 VanDerWaalsContact C-N 3.34Å; L139-L142 HydrophobicContact CD2-CD2 4.16Å; L139-L142 PolarHBondContact O-N 2.83Å; L139-A143 VanDerWaalsContact O-CB 3.23Å; L139-A143 WeakPolarHBondContact O-CB 3.36Å; L139-A143 PolarHBondContact O-N 2.96Å; L139-T698 HydrophobicContact CD1-CG2 3.66Å; L139-H699 VanDerWaalsContact CB-NE2 3.35Å; L139-H699 WeakPolarHBondContact CB-NE2 3.44Å; L139-L702 HydrophobicContact CD2-CD2 3.72Å |
| 140 | F | 74.2 | Confident | 68.4 | Low | 9 Ų | 9 | 42.5 Ų | 42.5 | 4% | 0.039 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 166.4 | -85.6 | -90.1 | 0 | 0 | 0 | 111.5 | L127 Q134 Q137 L142 R144 R362 | L127-F140 VanDerWaalsContact C-CE2 3.48Å; L127-F140 HydrophobicContact CB-CD1 4.42Å; L127-F140 HydrophobicContact CB-CD2 4.05Å; L127-F140 HydrophobicContact CB-CE1 4.03Å; L127-F140 HydrophobicContact CB-CE2 3.62Å; L127-F140 HydrophobicContact CB-CG 4.44Å; L127-F140 HydrophobicContact CB-CZ 3.61Å; L127-F140 HydrophobicContact CD1-CD1 4.38Å; L127-F140 VanDerWaalsContact O-CZ 3.27Å; L127-F140 WeakPolarHBondContact O-CZ 3.48Å; Q134-F140 HydrophobicContact CB-CD1 4.11Å; Q134-F140 HydrophobicContact CB-CE1 4.41Å; Q134-F140 HydrophobicContact CB-CG 4.17Å; Q134-F140 HydrophobicContact CG-CD1 3.97Å; Q134-F140 HydrophobicContact CG-CD2 4.46Å; Q134-F140 HydrophobicContact CG-CE1 3.76Å; Q134-F140 HydrophobicContact CG-CE2 4.26Å; Q134-F140 HydrophobicContact CG-CG 4.31Å; Q134-F140 HydrophobicContact CG-CZ 3.91Å; Q137-F140 HydrophobicContact CB-CB 4.48Å; Q137-F140 HydrophobicContact CB-CD2 3.98Å; Q137-F140 PolarHBondContact O-N 3.4Å; Q137-F140 VanDerWaalsContact OE1-CE2 3.23Å; F140-L142 VanDerWaalsContact C-N 3.34Å; F140-R144 VanDerWaalsContact O-CB 3.28Å; F140-R144 WeakPolarHBondContact O-CB 3.5Å; F140-R144 PolarHBondContact O-N 3.4Å; F140-R144 VanDerWaalsContact O-N 3.1Å; F140-R362 HydrophobicContact CE1-CB 4.44Å; F140-R362 HydrophobicContact CE1-CG 4.24Å |
| 141 | H | 70.5 | Confident | 69.9 | Low | 20 Ų | 20 | 41.1 Ų | 41.1 | 9% | 0.093 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -40.8 | 176.2 | -163.3 | 114 | 0 | 0 | 0 | 111.8 | Q137 P138 L139 R144 M145 A751 | Q137-H141 PolarHBondContact O-N 2.9Å; P138-H141 WeakPolarHBondContact O-CB 3.44Å; P138-H141 PolarHBondContact O-N 3Å; L139-H141 VanDerWaalsContact C-N 3.34Å; H141-R144 PolarHBondContact CE1-NH2 3.24Å; H141-R144 PolarHBondContact ND1-NH2 2.8Å; H141-R144 PolarHBondContact NE2-NH2 3.45Å; H141-M145 VanDerWaalsContact CD2-SD 3.5Å; H141-M145 PolarHBondContact NE2-SD 3.31Å; H141-M145 WeakPolarHBondContact O-CB 3.39Å; H141-M145 WeakPolarHBondContact O-CG 3.47Å; H141-M145 PolarHBondContact O-N 2.91Å; H141-A751 HydrophobicContact CB-CB 4.34Å |
| 142 | L | 74.8 | Confident | 71.2 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.6 | -51.6 | 179.6 | -174.4 | 55.5 | 0 | 0 | 0 | 111.8 | P138 L139 F140 R144 M145 L146 L371 P374 F755 | P138-L142 VanDerWaalsContact O-CB 3.3Å; P138-L142 WeakPolarHBondContact O-CB 3.28Å; P138-L142 PolarHBondContact O-N 3.43Å; L139-L142 HydrophobicContact CD2-CD2 4.16Å; L139-L142 PolarHBondContact O-N 2.83Å; F140-L142 VanDerWaalsContact C-N 3.34Å; L142-R144 VanDerWaalsContact C-N 3.27Å; L142-R144 PolarHBondContact O-N 3.19Å; L142-M145 CarbonylContact O-C 3.46Å; L142-M145 WeakPolarHBondContact O-CA 3.49Å; L142-M145 WeakPolarHBondContact O-CB 3.34Å; L142-M145 PolarHBondContact O-N 3.45Å; L142-L146 HydrophobicContact CD1-CD1 3.79Å; L142-L146 HydrophobicContact CD1-CG 3.98Å; L142-L146 HydrophobicContact CG-CD1 3.81Å; L142-L146 HydrophobicContact CG-CG 4.36Å; L142-L146 WeakPolarHBondContact O-CB 3.48Å; L142-L146 WeakPolarHBondContact O-CG 3.33Å; L142-L146 PolarHBondContact O-N 2.86Å; L142-L371 HydrophobicContact CB-CD2 4.2Å; L142-L371 HydrophobicContact CD2-CB 4.38Å; L142-L371 HydrophobicContact CD2-CD2 4.01Å; L142-L371 WeakPolarHBondContact CD2-O 3.47Å; L142-L371 HydrophobicContact CG-CD2 3.92Å; L142-P374 HydrophobicContact CD1-CG 4.1Å; L142-F755 HydrophobicContact CB-CE2 4.26Å; L142-F755 HydrophobicContact CD1-CD1 3.83Å; L142-F755 HydrophobicContact CD1-CD2 3.73Å; L142-F755 HydrophobicContact CD1-CE1 3.7Å; L142-F755 HydrophobicContact CD1-CE2 3.63Å; L142-F755 HydrophobicContact CD1-CG 3.86Å; L142-F755 HydrophobicContact CD1-CZ 3.62Å; L142-F755 HydrophobicContact CD2-CE1 4.22Å; L142-F755 HydrophobicContact CD2-CE2 4.19Å; L142-F755 HydrophobicContact CD2-CZ 3.72Å; L142-F755 HydrophobicContact CG-CE2 4.25Å; L142-F755 HydrophobicContact CG-CZ 4.18Å |
| 143 | A | 79.7 | Confident | 72.4 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -53.7 | -45.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L127 L139 M145 L146 R147 I148 A352 L371 | L127-A143 HydrophobicContact CD1-CB 3.61Å; L139-A143 VanDerWaalsContact O-CB 3.23Å; L139-A143 WeakPolarHBondContact O-CB 3.36Å; L139-A143 PolarHBondContact O-N 2.96Å; A143-M145 PolarHBondContact O-N 3.15Å; A143-L146 CarbonylContact O-C 3.58Å; A143-L146 PolarHBondContact O-N 3.11Å; A143-R147 CarbonylContact O-C 3.4Å; A143-R147 WeakPolarHBondContact O-CA 3.48Å; A143-R147 PolarHBondContact O-N 2.74Å; A143-I148 HydrophobicContact CB-CB 4.2Å; A143-I148 PolarHBondContact O-N 2.69Å; A143-A352 HydrophobicContact CB-CB 4.41Å; A143-L371 HydrophobicContact CB-CD2 4.08Å |
| 144 | R | 78.1 | Confident | 72.9 | Confident | 86 Ų | 86 | 27.7 Ų | 27.7 | 33% | 0.325 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -62.5 | -39.9 | 174.5 | -176.2 | -179.9 | 66.5 | 88.3 | 9.8 | 113 | F140 H141 L142 R147 I351 A352 | F140-R144 VanDerWaalsContact O-CB 3.28Å; F140-R144 WeakPolarHBondContact O-CB 3.5Å; F140-R144 PolarHBondContact O-N 3.4Å; F140-R144 VanDerWaalsContact O-N 3.1Å; H141-R144 PolarHBondContact CE1-NH2 3.24Å; H141-R144 PolarHBondContact ND1-NH2 2.8Å; H141-R144 PolarHBondContact NE2-NH2 3.45Å; L142-R144 VanDerWaalsContact C-N 3.27Å; L142-R144 PolarHBondContact O-N 3.19Å; R144-R147 PolarHBondContact O-N 3.41Å; R144-I351 HydrophobicContact CG-CG2 4.42Å; R144-A352 HydrophobicContact CB-CB 4.34Å; R144-A352 WeakPolarHBondContact CB-O 3.42Å; R144-A352 VanDerWaalsContact CD-O 3.31Å; R144-A352 WeakPolarHBondContact CD-O 3.12Å; R144-A352 WeakPolarHBondContact CG-O 3.35Å |
| 145 | M | 74 | Confident | 72.9 | Confident | 50 Ų | 50 | 27.6 Ų | 27.6 | 25% | 0.246 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.6 | -39.3 | 177.1 | -85.2 | -170.2 | 45 | 0 | 0 | 112.8 | H141 L142 A143 R147 F755 K757 | H141-M145 VanDerWaalsContact CD2-SD 3.5Å; H141-M145 PolarHBondContact NE2-SD 3.31Å; H141-M145 WeakPolarHBondContact O-CB 3.39Å; H141-M145 WeakPolarHBondContact O-CG 3.47Å; H141-M145 PolarHBondContact O-N 2.91Å; L142-M145 CarbonylContact O-C 3.46Å; L142-M145 WeakPolarHBondContact O-CA 3.49Å; L142-M145 WeakPolarHBondContact O-CB 3.34Å; L142-M145 PolarHBondContact O-N 3.45Å; A143-M145 PolarHBondContact O-N 3.15Å; M145-R147 PolarHBondContact O-N 3.2Å; M145-F755 HydrophobicContact CE-CB 3.55Å; M145-F755 HydrophobicContact SD-CB 4.42Å; M145-K757 HydrophobicContact CE-CD 4.12Å; M145-K757 HydrophobicContact SD-CD 4.08Å; M145-K757 PolarHBondContact SD-NZ 2.89Å |
| 146 | L | 80.9 | Confident | 72.8 | Confident | 66 Ų | 66 | 26.5 Ų | 26.5 | 35% | 0.346 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -81.1 | -3.9 | 177.3 | -60.5 | 175.7 | 0 | 0 | 0 | 113.3 | L142 A143 I148 P374 | L142-L146 HydrophobicContact CD1-CD1 3.79Å; L142-L146 HydrophobicContact CD1-CG 3.98Å; L142-L146 HydrophobicContact CG-CD1 3.81Å; L142-L146 HydrophobicContact CG-CG 4.36Å; L142-L146 WeakPolarHBondContact O-CB 3.48Å; L142-L146 WeakPolarHBondContact O-CG 3.33Å; L142-L146 PolarHBondContact O-N 2.86Å; A143-L146 CarbonylContact O-C 3.58Å; A143-L146 PolarHBondContact O-N 3.11Å; L146-I148 HydrophobicContact CB-CD1 3.95Å; L146-I148 HydrophobicContact CB-CG1 3.84Å; L146-I148 HydrophobicContact CD1-CD1 3.74Å; L146-I148 PolarHBondContact O-N 2.84Å; L146-P374 HydrophobicContact CD1-CG 3.73Å; L146-P374 HydrophobicContact CD2-CG 3.5Å; L146-P374 VanDerWaalsContact CD2-CG 3.5Å; L146-P374 HydrophobicContact CG-CG 4.14Å |
| 147 | R | 84.6 | Confident | 72.3 | Confident | 179 Ų | 179 | 26.3 Ų | 26.3 | 68% | 0.675 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 30 | -172.9 | -55.9 | -174 | 175.1 | -172.9 | -0.5 | 113.4 | A143 R144 M145 I351 | A143-R147 CarbonylContact O-C 3.4Å; A143-R147 WeakPolarHBondContact O-CA 3.48Å; A143-R147 PolarHBondContact O-N 2.74Å; R144-R147 PolarHBondContact O-N 3.41Å; M145-R147 PolarHBondContact O-N 3.2Å; R147-I351 HydrophobicContact CB-CD1 3.8Å; R147-I351 HydrophobicContact CB-CG1 4.05Å; R147-I351 HydrophobicContact CG-CD1 3.91Å |
| 148 | I | 83.8 | Confident | 71 | Confident | 7 Ų | 7 | 29.2 Ų | 29.2 | 4% | 0.036 | 14% | 0.143 | C | C | . | . | trans | -62 | 125.1 | 176 | -71 | 171 | 0 | 0 | 0 | 108.4 | A143 L146 T150 V364 D370 L371 | A143-I148 HydrophobicContact CB-CB 4.2Å; A143-I148 PolarHBondContact O-N 2.69Å; L146-I148 HydrophobicContact CB-CD1 3.95Å; L146-I148 HydrophobicContact CB-CG1 3.84Å; L146-I148 HydrophobicContact CD1-CD1 3.74Å; L146-I148 PolarHBondContact O-N 2.84Å; I148-T150 HydrophobicContact CG2-CG2 4.45Å; I148-V364 HydrophobicContact CG2-CG1 3.62Å; I148-V364 HydrophobicContact CG2-CG2 4.29Å; I148-D370 HydrophobicContact CD1-CB 3.73Å; I148-D370 HydrophobicContact CG1-CB 4.15Å; I148-L371 HydrophobicContact CD1-CD2 3.66Å; I148-L371 HydrophobicContact CD1-CG 3.8Å | ||
| 149 | P | 83.6 | Confident | 69.9 | Low | 41 Ų | 41 | 36.3 Ų | 36.3 | 27% | 0.266 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 139.7 | 179.4 | 31.8 | -36.7 | 0 | 0 | 0 | 110.8 | P349 T365 S366 | P149-P349 HydrophobicContact CB-CB 4.14Å; P149-T365 WeakPolarHBondContact CB-OG1 3.43Å; P149-T365 PolarHBondContact O-N 2.88Å; P149-T365 PolarHBondContact O-OG1 2.72Å; P149-S366 WeakPolarHBondContact CD-OG 3.34Å |
| 150 | T | 83 | Confident | 68.3 | Low | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 146.4 | -173.1 | 56.5 | 0 | 0 | 0 | 0 | 110.4 | L127 I148 S350 A352 R362 L363 V364 | L127-T150 HydrophobicContact CD1-CG2 3.81Å; I148-T150 HydrophobicContact CG2-CG2 4.45Å; T150-S350 PolarHBondContact N-O 2.79Å; T150-S350 PolarHBondContact O-N 2.98Å; T150-S350 PolarHBondContact O-OG 3.34Å; T150-S350 VanDerWaalsContact O-OG 3.05Å; T150-S350 PolarHBondContact OG1-O 3.25Å; T150-A352 PolarHBondContact OG1-N 2.83Å; T150-R362 PolarHBondContact O-NH1 3.24Å; T150-R362 VanDerWaalsContact O-NH1 3.11Å; T150-R362 PolarHBondContact OG1-NH1 3.48Å; T150-L363 CarbonylContact C-O 3.55Å; T150-L363 WeakPolarHBondContact CA-O 3.23Å; T150-L363 WeakPolarHBondContact CB-O 3.36Å; T150-V364 HydrophobicContact CG2-CG2 4.11Å |
| 151 | A | 78.2 | Confident | 67 | Low | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 147.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S347 R362 L363 T365 Y546 | A151-S347 VanDerWaalsContact CB-O 3.24Å; A151-S347 WeakPolarHBondContact CB-O 3.31Å; A151-R362 CarbonylContact O-C 3.54Å; A151-R362 WeakPolarHBondContact O-CA 3.03Å; A151-L363 PolarHBondContact N-O 2.9Å; A151-L363 PolarHBondContact O-N 2.96Å; A151-T365 HydrophobicContact CB-CG2 3.58Å; A151-Y546 HydrophobicContact CB-CD1 3.63Å; A151-Y546 HydrophobicContact CB-CE1 3.98Å |
| 152 | V | 73.4 | Confident | 66.1 | Low | 24 Ų | 24 | 42.2 Ų | 42.2 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 135.1 | 169.8 | 180 | 0 | 0 | 0 | 0 | 109.4 | S346 E360 Y546 | V152-S346 WeakPolarHBondContact CG2-O 3.31Å; V152-S346 PolarHBondContact N-O 3.28Å; V152-E360 HydrophobicContact CG1-CG 4.12Å; V152-E360 HydrophobicContact CG2-CG 4.05Å; V152-E360 WeakPolarHBondContact CG2-OE1 3.15Å; V152-Y546 WeakPolarHBondContact O-CE1 3.44Å |
| 153 | T | 73 | Confident | 64.8 | Low | 6 Ų | 6 | 43.3 Ų | 43.3 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | trans | -129 | 177.8 | -178.4 | -166.5 | 0 | 0 | 0 | 0 | 111 | Y126 G155 D361 Y546 | Y126-T153 HydrophobicContact CD1-CG2 3.75Å; Y126-T153 HydrophobicContact CE1-CG2 3.48Å; Y126-T153 VanDerWaalsContact CE1-CG2 3.48Å; T153-G155 PolarHBondContact O-N 2.74Å; T153-D361 HydrophobicContact CG2-CB 4.03Å; T153-D361 PolarHBondContact N-O 2.73Å; T153-Y546 PolarHBondContact OG1-OH 2.86Å | ||
| 154 | A | 63 | Low | 63.6 | Low | 3 Ų | 3 | 45.3 Ų | 45.3 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | trans | -74.7 | 68.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | E165 L340 | A154-E165 WeakPolarHBondContact O-CA 3.37Å; A154-E165 PolarHBondContact O-N 3.35Å; A154-L340 HydrophobicContact CB-CD1 4.23Å | ||
| 155 | G | 58.5 | Low | 62.9 | Low | 2 Ų | 2 | 41.4 Ų | 41.4 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | trans | -74 | 164.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T153 L157 D361 | T153-G155 PolarHBondContact O-N 2.74Å; G155-L157 WeakPolarHBondContact O-CD2 3.46Å; G155-L157 WeakPolarHBondContact O-CG 3.35Å; G155-L157 PolarHBondContact O-N 2.8Å; G155-L157 VanDerWaalsContact O-N 3.17Å; G155-D361 VanDerWaalsContact C-OD2 3.27Å; G155-D361 WeakPolarHBondContact CA-OD2 3.31Å | ||
| 156 | D | 52.1 | Low | 62.6 | Low | 15 Ų | 15 | 39.2 Ų | 39.2 | 8% | 0.08 | 19% | 0.192 | C | C | . | . | trans | -41.9 | 117.9 | -176.5 | 175.2 | -13.6 | 0 | 0 | 0 | 111.8 | C130 C158 K159 D361 | C130-D156 HydrophobicContact CB-CB 3.85Å; C130-D156 WeakPolarHBondContact CB-OD2 3.14Å; C130-D156 WeakPolarHBondContact SG-CB 3.37Å; D156-C158 PolarHBondContact OD1-N 3.45Å; D156-K159 WeakPolarHBondContact OD1-CA 3.02Å; D156-K159 PolarHBondContact OD1-N 3.45Å; D156-K159 WeakPolarHBondContact OD2-CA 3.08Å; D156-D361 PolarHBondContact N-OD2 2.6Å | ||
| 157 | L | 44.9 | Very low | 62.4 | Low | 25 Ų | 25 | 36.2 Ų | 36.2 | 13% | 0.131 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -95.4 | -15.8 | -168.6 | -70.1 | -179.6 | 0 | 0 | 0 | 114.6 | G155 C166 I169 W332 K336 | G155-L157 WeakPolarHBondContact O-CD2 3.46Å; G155-L157 WeakPolarHBondContact O-CG 3.35Å; G155-L157 PolarHBondContact O-N 2.8Å; G155-L157 VanDerWaalsContact O-N 3.17Å; L157-C166 HydrophobicContact CB-CB 4.35Å; L157-C166 HydrophobicContact CD1-CB 3.41Å; L157-C166 VanDerWaalsContact CD1-CB 3.41Å; L157-C166 HydrophobicContact CG-CB 3.93Å; L157-C166 VanDerWaalsContact CG-SG 3.55Å; L157-I169 HydrophobicContact CD1-CB 4.11Å; L157-I169 HydrophobicContact CD1-CD1 4.42Å; L157-I169 HydrophobicContact CD1-CG1 3.27Å; L157-W332 HydrophobicContact CB-CH2 4.01Å; L157-W332 HydrophobicContact CB-CZ2 3.56Å; L157-W332 HydrophobicContact CD1-CH2 3.46Å; L157-W332 VanDerWaalsContact CD1-CH2 3.46Å; L157-W332 HydrophobicContact CD1-CZ2 3.41Å; L157-W332 VanDerWaalsContact CD1-CZ2 3.41Å; L157-W332 HydrophobicContact CD2-CZ2 3.91Å; L157-W332 HydrophobicContact CG-CH2 4.22Å; L157-W332 HydrophobicContact CG-CZ2 3.76Å; L157-K336 HydrophobicContact CD2-CD 4.24Å |
| 158 | C | 38.3 | Very low | 62.1 | Low | 72 Ų | 72 | 28.7 Ų | 28.7 | 49% | 0.486 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -141.3 | 19 | -173.8 | -72.2 | 0 | 0 | 0 | 0 | 115 | D156 R162 | D156-C158 PolarHBondContact OD1-N 3.45Å; C158-R162 HydrophobicContact CB-CB 3.81Å; C158-R162 HydrophobicContact CB-CG 3.57Å |
| 159 | K | 43.8 | Very low | 61.8 | Low | 156 Ų | 156 | 28.5 Ų | 28.5 | 68% | 0.678 | 15% | 0.148 | S | C | * | . | S | Bend | trans | 64.9 | -169.3 | -173.2 | -47.7 | 175 | 176.5 | 176.7 | 0 | 111.2 | D156 Y161 R162 | D156-K159 WeakPolarHBondContact OD1-CA 3.02Å; D156-K159 PolarHBondContact OD1-N 3.45Å; D156-K159 WeakPolarHBondContact OD2-CA 3.08Å; K159-Y161 PolarHBondContact O-N 3.34Å; K159-R162 PolarHBondContact O-N 3.48Å |
| 160 | K | 42.7 | Very low | 62 | Low | 97 Ų | 97 | 26.8 Ų | 26.8 | 42% | 0.422 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -23 | -3.5 | 179.6 | -164.6 | 157.7 | -176 | -93.8 | 0 | 120.6 | D280 V284 | K160-D280 PolarHBondContact NZ-O 3.01Å; K160-V284 HydrophobicContact CD-CG2 3.61Å; K160-V284 HydrophobicContact CG-CG2 4.1Å |
| 161 | Y | 45.6 | Very low | 62.3 | Low | 39 Ų | 39 | 29.8 Ų | 29.8 | 15% | 0.153 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -38.7 | 175.3 | -54.5 | -57.2 | 0 | 0 | 0 | 115.3 | K159 G163 Y263 L281 V284 A285 W289 | K159-Y161 PolarHBondContact O-N 3.34Å; Y161-G163 PolarHBondContact O-N 3.48Å; Y161-Y263 WeakPolarHBondContact O-CD2 3.49Å; Y161-Y263 WeakPolarHBondContact O-CE2 3.46Å; Y161-L281 HydrophobicContact CD1-CD2 3.76Å; Y161-L281 HydrophobicContact CE1-CB 4.41Å; Y161-L281 HydrophobicContact CE1-CD2 3.87Å; Y161-L281 PolarHBondContact OH-O 3.33Å; Y161-V284 HydrophobicContact CD2-CG1 4.42Å; Y161-V284 HydrophobicContact CE1-CB 3.8Å; Y161-V284 HydrophobicContact CE1-CG1 3.95Å; Y161-V284 HydrophobicContact CE2-CB 4.23Å; Y161-V284 HydrophobicContact CE2-CG1 3.55Å; Y161-V284 VanDerWaalsContact CZ-CB 3.47Å; Y161-V284 WeakPolarHBondContact OH-CB 3.32Å; Y161-V284 WeakPolarHBondContact OH-CG1 3.29Å; Y161-V284 PolarHBondContact OH-O 3.02Å; Y161-A285 WeakPolarHBondContact OH-CA 3.21Å; Y161-A285 PolarHBondContact OH-N 2.87Å; Y161-W289 HydrophobicContact CE2-CZ2 4.31Å; Y161-W289 AromaticContact CE2-NE1 3.77Å |
| 162 | R | 52.5 | Low | 62.9 | Low | 17 Ų | 17 | 30.1 Ų | 30.1 | 6% | 0.064 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -94.6 | 105.4 | -179.4 | -65 | -64.7 | -175.1 | 145.4 | -10.6 | 107.8 | C158 K159 E168 V191 D195 | C158-R162 HydrophobicContact CB-CB 3.81Å; C158-R162 HydrophobicContact CB-CG 3.57Å; K159-R162 PolarHBondContact O-N 3.48Å; R162-E168 IonicContact CZ-OE1 3.41Å; R162-E168 IonicContact NE-OE1 3.16Å; R162-E168 IonicContact NH1-OE1 3.22Å; R162-E168 PolarHBondContact NH1-OE1 3.44Å; R162-V191 PolarHBondContact NH2-O 2.83Å; R162-D195 IonicContact CZ-OD1 3.92Å; R162-D195 IonicContact CZ-OD2 2.78Å; R162-D195 IonicContact NE-OD1 2.72Å; R162-D195 IonicContact NH2-OD1 3.77Å; R162-D195 PolarHBondContact NH2-OD1 3.02Å; R162-D195 IonicContact NH2-OD2 2.66Å; R162-D195 PolarHBondContact NH2-OD2 3.41Å |
| 163 | G | 46.5 | Very low | 63.9 | Low | 25 Ų | 25 | 29.6 Ų | 29.6 | 26% | 0.258 | 15% | 0.148 | S | C | . | . | trans | -59.4 | 167.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y161 C166 | Y161-G163 PolarHBondContact O-N 3.48Å; G163-C166 PolarHBondContact O-SG 3.04Å | ||
| 164 | W | 54.9 | Low | 64.8 | Low | 42 Ų | 42 | 29.6 Ų | 29.6 | 16% | 0.159 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -38 | 148.7 | 170.4 | -70.1 | 85.8 | 0 | 0 | 0 | 114.7 | I128 C130 C166 R262 Y266 D361 | I128-W164 HydrophobicContact CB-CH2 3.48Å; I128-W164 VanDerWaalsContact CB-CH2 3.48Å; I128-W164 HydrophobicContact CB-CZ2 3.88Å; I128-W164 HydrophobicContact CB-CZ3 4.41Å; I128-W164 HydrophobicContact CD1-CH2 3.66Å; I128-W164 HydrophobicContact CD1-CZ2 3.54Å; I128-W164 HydrophobicContact CD1-CZ3 4.24Å; I128-W164 HydrophobicContact CG1-CH2 3.23Å; I128-W164 HydrophobicContact CG1-CZ2 3.65Å; I128-W164 HydrophobicContact CG1-CZ3 3.79Å; I128-W164 HydrophobicContact CG2-CH2 3.37Å; I128-W164 HydrophobicContact CG2-CZ2 3.31Å; C130-W164 WeakPolarHBondContact SG-CH2 3.17Å; C130-W164 WeakPolarHBondContact SG-CZ2 3.42Å; W164-C166 VanDerWaalsContact C-N 3.29Å; W164-C166 PolarHBondContact O-N 2.69Å; W164-R262 PolarHBondContact O-NH2 3Å; W164-Y266 HydrophobicContact CB-CE1 4.33Å; W164-Y266 HydrophobicContact CB-CE2 3.72Å; W164-Y266 VanDerWaalsContact CB-CZ 3.48Å; W164-Y266 WeakPolarHBondContact CB-OH 3.41Å; W164-Y266 AromaticContact CD1-CD1 3.93Å; W164-Y266 AromaticContact CD1-CE1 3.42Å; W164-Y266 VanDerWaalsContact CD1-CE1 3.42Å; W164-Y266 AromaticContact CD1-CE2 3.94Å; W164-Y266 AromaticContact CD1-CZ 3.45Å; W164-Y266 VanDerWaalsContact CD1-CZ 3.45Å; W164-Y266 AromaticContact CG-CE1 3.94Å; W164-Y266 HydrophobicContact CG-CE1 3.94Å; W164-Y266 HydrophobicContact CG-CE2 4.13Å; W164-Y266 AromaticContact CG-CZ 3.58Å; W164-D361 HydrophobicContact CH2-CB 4.5Å; W164-D361 VanDerWaalsContact CH2-CG 3.48Å; W164-D361 WeakPolarHBondContact CH2-OD1 3.34Å; W164-D361 WeakPolarHBondContact CH2-OD2 3.46Å; W164-D361 HydrophobicContact CZ3-CB 4.08Å; W164-D361 VanDerWaalsContact CZ3-CG 3.43Å; W164-D361 WeakPolarHBondContact CZ3-OD2 3.43Å |
| 165 | E | 63.4 | Low | 66 | Low | 3 Ų | 3 | 30.5 Ų | 30.5 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 53 | 48.6 | 171.3 | -53 | 165.7 | 148.2 | 0 | 0 | 111.5 | Y126 A154 V167 R262 H539 H555 W557 | Y126-E165 HydrophobicContact CE2-CG 4.46Å; Y126-E165 WeakPolarHBondContact CE2-OE1 3.42Å; Y126-E165 PolarHBondContact OH-OE1 3.17Å; Y126-E165 VanDerWaalsContact OH-OE1 3.07Å; A154-E165 WeakPolarHBondContact O-CA 3.37Å; A154-E165 PolarHBondContact O-N 3.35Å; E165-V167 PolarHBondContact O-N 3.44Å; E165-R262 IonicContact OE2-CZ 2.87Å; E165-R262 VanDerWaalsContact OE2-CZ 3.23Å; E165-R262 IonicContact OE2-NH1 2.71Å; E165-R262 PolarHBondContact OE2-NH1 2.86Å; E165-R262 IonicContact OE2-NH2 2.72Å; E165-R262 PolarHBondContact OE2-NH2 3.15Å; E165-H539 VanDerWaalsContact C-CE1 3.44Å; E165-H539 WeakPolarHBondContact CB-CE1 3.35Å; E165-H539 PolarHBondContact O-CE1 3.49Å; E165-H539 PolarHBondContact O-NE2 2.98Å; E165-H555 IonicContact OE1-CE1 2.78Å; E165-H555 PolarHBondContact OE1-CE1 2.85Å; E165-H555 IonicContact OE1-ND1 3.65Å; E165-H555 IonicContact OE1-NE2 3.42Å; E165-H555 IonicContact OE2-CE1 3.52Å; E165-H555 IonicContact OE2-ND1 2.75Å; E165-W557 WeakPolarHBondContact OE2-CZ2 3.22Å |
| 166 | C | 68.5 | Low | 67.4 | Low | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.034 | 17% | 0.171 | C | C | . | . | trans | -46.6 | 111.5 | -172.2 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | L157 G163 W164 E168 I169 | L157-C166 HydrophobicContact CB-CB 4.35Å; L157-C166 HydrophobicContact CD1-CB 3.41Å; L157-C166 VanDerWaalsContact CD1-CB 3.41Å; L157-C166 HydrophobicContact CG-CB 3.93Å; L157-C166 VanDerWaalsContact CG-SG 3.55Å; G163-C166 PolarHBondContact O-SG 3.04Å; W164-C166 VanDerWaalsContact C-N 3.29Å; W164-C166 PolarHBondContact O-N 2.69Å; C166-E168 VanDerWaalsContact CA-OE2 3.25Å; C166-E168 WeakPolarHBondContact CA-OE2 3.46Å; C166-E168 HydrophobicContact CB-CB 4.47Å; C166-E168 VanDerWaalsContact CB-OE2 3.23Å; C166-E168 WeakPolarHBondContact CB-OE2 3.22Å; C166-E168 PolarHBondContact O-N 3.3Å; C166-E168 VanDerWaalsContact O-N 3.08Å; C166-I169 PolarHBondContact O-N 3.24Å | ||
| 167 | V | 76.6 | Confident | 69.1 | Low | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -60.9 | -21.8 | -177.4 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | E165 I169 A170 W172 I259 R262 H539 | E165-V167 PolarHBondContact O-N 3.44Å; V167-I169 PolarHBondContact O-N 3.45Å; V167-A170 WeakPolarHBondContact O-CB 3.35Å; V167-A170 PolarHBondContact O-N 2.95Å; V167-A170 VanDerWaalsContact O-N 3.12Å; V167-W172 HydrophobicContact CB-CZ2 3.92Å; V167-W172 HydrophobicContact CG2-CZ2 4.1Å; V167-W172 PolarHBondContact O-NE1 2.84Å; V167-I259 HydrophobicContact CG2-CG1 3.59Å; V167-R262 HydrophobicContact CG1-CB 4.49Å; V167-R262 HydrophobicContact CG1-CG 3.74Å; V167-H539 WeakPolarHBondContact CG1-CE1 3.49Å |
| 168 | E | 78.2 | Confident | 70.9 | Confident | 21 Ų | 21 | 38.9 Ų | 38.9 | 10% | 0.098 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -49.7 | -32.2 | 169.1 | -64.5 | 96.3 | 149.4 | 0 | 0 | 114.2 | R162 C166 V191 Y329 | R162-E168 IonicContact CZ-OE1 3.41Å; R162-E168 IonicContact NE-OE1 3.16Å; R162-E168 IonicContact NH1-OE1 3.22Å; R162-E168 PolarHBondContact NH1-OE1 3.44Å; C166-E168 VanDerWaalsContact CA-OE2 3.25Å; C166-E168 WeakPolarHBondContact CA-OE2 3.46Å; C166-E168 HydrophobicContact CB-CB 4.47Å; C166-E168 VanDerWaalsContact CB-OE2 3.23Å; C166-E168 WeakPolarHBondContact CB-OE2 3.22Å; C166-E168 PolarHBondContact O-N 3.3Å; C166-E168 VanDerWaalsContact O-N 3.08Å; E168-V191 HydrophobicContact CG-CG2 3.34Å; E168-Y329 WeakPolarHBondContact CB-OH 3.22Å; E168-Y329 WeakPolarHBondContact CG-OH 3.46Å |
| 169 | I | 78 | Confident | 73.1 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.015 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -116.2 | 34.8 | -179.2 | -51 | -60 | 0 | 0 | 0 | 110.6 | L157 C166 V167 W332 A333 K336 L337 L340 | L157-I169 HydrophobicContact CD1-CB 4.11Å; L157-I169 HydrophobicContact CD1-CD1 4.42Å; L157-I169 HydrophobicContact CD1-CG1 3.27Å; C166-I169 PolarHBondContact O-N 3.24Å; V167-I169 PolarHBondContact O-N 3.45Å; I169-W332 HydrophobicContact CD1-CH2 3.8Å; I169-W332 HydrophobicContact CD1-CZ2 4.41Å; I169-W332 HydrophobicContact CD1-CZ3 3.9Å; I169-W332 HydrophobicContact CG1-CH2 3.9Å; I169-W332 HydrophobicContact CG1-CZ2 4.39Å; I169-W332 HydrophobicContact CG1-CZ3 4.49Å; I169-A333 HydrophobicContact CD1-CB 3.7Å; I169-K336 HydrophobicContact CD1-CB 4Å; I169-K336 HydrophobicContact CG1-CB 4.23Å; I169-K336 HydrophobicContact CG2-CB 3.99Å; I169-L337 HydrophobicContact CG2-CD2 3.74Å; I169-L337 HydrophobicContact CG2-CG 4.07Å; I169-L340 HydrophobicContact CG2-CD1 3.58Å |
| 170 | A | 86.4 | Confident | 75.3 | Confident | 6 Ų | 6 | 34.9 Ų | 34.9 | 5% | 0.05 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -92.8 | 160.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V167 W172 H530 K532 | V167-A170 WeakPolarHBondContact O-CB 3.35Å; V167-A170 PolarHBondContact O-N 2.95Å; V167-A170 VanDerWaalsContact O-N 3.12Å; A170-W172 VanDerWaalsContact O-CD1 3.27Å; A170-W172 PolarHBondContact O-N 2.91Å; A170-H530 HydrophobicContact CB-CB 3.85Å; A170-K532 HydrophobicContact CB-CB 3.82Å; A170-K532 HydrophobicContact CB-CG 3.53Å |
| 171 | K | 89.3 | Confident | 77.7 | Confident | 63 Ų | 63 | 34 Ų | 34 | 27% | 0.274 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 112.6 | 163.7 | -164.7 | 68.6 | 147.8 | -143.2 | 0 | 108 | E341 D525 A528 H530 L531 K532 | K171-E341 IonicContact NZ-OE1 2.75Å; K171-E341 PolarHBondContact NZ-OE1 3.29Å; K171-E341 IonicContact NZ-OE2 3.48Å; K171-E341 PolarHBondContact NZ-OE2 3.42Å; K171-D525 WeakPolarHBondContact CE-OD2 3.35Å; K171-D525 IonicContact NZ-OD2 3.6Å; K171-A528 HydrophobicContact CB-CB 3.67Å; K171-A528 HydrophobicContact CG-CB 4.18Å; K171-H530 PolarHBondContact N-O 3.21Å; K171-L531 HydrophobicContact CB-CD2 4.21Å; K171-K532 PolarHBondContact O-N 2.83Å |
| 172 | W | 92.4 | Very high | 79.9 | Confident | 6 Ų | 6 | 32.7 Ų | 32.7 | 2% | 0.023 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 129.6 | 179.6 | -70.8 | 80.2 | 0 | 0 | 0 | 111.6 | V167 A170 P181 I182 V187 I255 K532 C533 | V167-W172 HydrophobicContact CB-CZ2 3.92Å; V167-W172 HydrophobicContact CG2-CZ2 4.1Å; V167-W172 PolarHBondContact O-NE1 2.84Å; A170-W172 VanDerWaalsContact O-CD1 3.27Å; A170-W172 PolarHBondContact O-N 2.91Å; W172-P181 WeakPolarHBondContact O-CA 3.49Å; W172-I182 HydrophobicContact CB-CB 3.71Å; W172-I182 HydrophobicContact CB-CD1 4.2Å; W172-I182 HydrophobicContact CB-CG1 4.46Å; W172-I182 HydrophobicContact CB-CG2 4.26Å; W172-I182 HydrophobicContact CE3-CD1 4.24Å; W172-I182 PolarHBondContact O-N 3.42Å; W172-V187 HydrophobicContact CD2-CG2 4.26Å; W172-V187 HydrophobicContact CG-CG2 3.97Å; W172-I255 HydrophobicContact CE3-CG1 4.08Å; W172-I255 HydrophobicContact CH2-CB 4.34Å; W172-I255 HydrophobicContact CH2-CG1 3.94Å; W172-I255 HydrophobicContact CZ2-CG1 4.49Å; W172-I255 HydrophobicContact CZ3-CG1 3.71Å; W172-K532 WeakPolarHBondContact CA-O 3.48Å; W172-K532 HydrophobicContact CD2-CB 3.54Å; W172-K532 HydrophobicContact CD2-CG 4.42Å; W172-K532 HydrophobicContact CE3-CB 3.81Å; W172-K532 HydrophobicContact CG-CB 3.97Å; W172-K532 HydrophobicContact CH2-CB 4.27Å; W172-K532 HydrophobicContact CH2-CD 4.39Å; W172-K532 HydrophobicContact CH2-CG 4.38Å; W172-K532 HydrophobicContact CZ2-CB 4.06Å; W172-K532 HydrophobicContact CZ2-CD 4.48Å; W172-K532 HydrophobicContact CZ2-CG 4.05Å; W172-K532 HydrophobicContact CZ3-CB 4.16Å; W172-C533 VanDerWaalsContact CZ3-C 3.49Å; W172-C533 WeakPolarHBondContact CZ3-O 3.45Å |
| 173 | L | 93.3 | Very high | 81.6 | Confident | 14 Ų | 14 | 35 Ų | 35 | 7% | 0.073 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -118.1 | 147 | 166.7 | -61.8 | 178.7 | 0 | 0 | 0 | 109.9 | L180 P181 K532 C533 P534 M583 Y584 | L173-L180 CarbonylContact C-O 3.59Å; L173-L180 WeakPolarHBondContact CA-O 3.32Å; L173-P181 HydrophobicContact CD2-CB 4.36Å; L173-K532 PolarHBondContact N-O 3.1Å; L173-C533 WeakPolarHBondContact O-CA 3.28Å; L173-C533 WeakPolarHBondContact O-CB 3.19Å; L173-P534 WeakPolarHBondContact O-CD 3.41Å; L173-M583 HydrophobicContact CB-CB 4.37Å; L173-M583 HydrophobicContact CB-CE 4.01Å; L173-M583 HydrophobicContact CB-CG 4.32Å; L173-M583 HydrophobicContact CD1-CB 4.25Å; L173-M583 HydrophobicContact CD1-CE 4.15Å; L173-M583 HydrophobicContact CG-CE 4.32Å; L173-Y584 HydrophobicContact CD1-CD1 3.92Å; L173-Y584 HydrophobicContact CD1-CE1 3.35Å; L173-Y584 HydrophobicContact CD1-CE2 4.05Å; L173-Y584 HydrophobicContact CD1-CG 4.47Å; L173-Y584 VanDerWaalsContact CD1-CZ 3.42Å |
| 174 | N | 91.5 | Very high | 83.4 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | trans | -79.3 | 121 | 171.6 | -168.1 | -1.9 | 0 | 0 | 0 | 110.1 | F176 T177 L180 I182 | N174-F176 VanDerWaalsContact C-N 3.31Å; N174-F176 WeakPolarHBondContact OD1-CB 3.37Å; N174-F176 VanDerWaalsContact OD1-CD2 3.29Å; N174-F176 WeakPolarHBondContact OD1-CD2 3.29Å; N174-F176 PolarHBondContact OD1-N 2.83Å; N174-T177 WeakPolarHBondContact CB-OG1 3.26Å; N174-T177 PolarHBondContact ND2-OG1 3.33Å; N174-T177 VanDerWaalsContact ND2-OG1 3.09Å; N174-T177 CarbonylContact O-C 3.34Å; N174-T177 PolarHBondContact O-N 2.83Å; N174-L180 HydrophobicContact CB-CB 4.46Å; N174-L180 PolarHBondContact N-O 3.01Å; N174-I182 HydrophobicContact CB-CD1 4.29Å; N174-I182 HydrophobicContact CB-CG1 4.25Å | ||
| 175 | H | 89.2 | Confident | 84.9 | Confident | 22 Ų | 22 | 37 Ų | 37 | 10% | 0.102 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -79.8 | -14 | 175.1 | 68 | -109.1 | 0 | 0 | 0 | 112.6 | C533 D535 L582 M583 | H175-C533 HydrophobicContact CB-CB 4.16Å; H175-C533 PolarHBondContact ND1-SG 3.12Å; H175-D535 PolarHBondContact CE1-N 3.48Å; H175-L582 HydrophobicContact CB-CB 3.95Å; H175-M583 HydrophobicContact CB-CG 4.1Å |
| 176 | F | 86.5 | Confident | 86.2 | Confident | 97 Ų | 97 | 39.8 Ų | 39.8 | 43% | 0.425 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -79.7 | -22.2 | 170.7 | -59.4 | -79.2 | 0 | 0 | 0 | 112.6 | N174 H250 P534 | N174-F176 VanDerWaalsContact C-N 3.31Å; N174-F176 WeakPolarHBondContact OD1-CB 3.37Å; N174-F176 VanDerWaalsContact OD1-CD2 3.29Å; N174-F176 WeakPolarHBondContact OD1-CD2 3.29Å; N174-F176 PolarHBondContact OD1-N 2.83Å; F176-H250 AromaticContact CD2-CD2 3.08Å; F176-H250 WeakPolarHBondContact CD2-CD2 3.42Å; F176-H250 AromaticContact CD2-CG 3.86Å; F176-H250 AromaticContact CD2-NE2 3.38Å; F176-H250 WeakPolarHBondContact CD2-NE2 3.49Å; F176-H250 HydrophobicContact CE2-CB 3.95Å; F176-H250 AromaticContact CE2-CD2 3.24Å; F176-H250 WeakPolarHBondContact CE2-CD2 3.3Å; F176-H250 AromaticContact CE2-CG 3.7Å; F176-H250 AromaticContact CG-CD2 3.92Å; F176-H250 AromaticContact CG-NE2 3.83Å; F176-H250 HydrophobicContact CZ-CB 4.24Å; F176-P534 HydrophobicContact CE2-CB 4.45Å |
| 177 | T | 87.7 | Confident | 87.2 | Confident | 60 Ų | 60 | 39.7 Ų | 39.7 | 37% | 0.368 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -135.9 | 93.1 | 177.5 | 55.8 | 0 | 0 | 0 | 0 | 110.3 | N174 L180 | N174-T177 WeakPolarHBondContact CB-OG1 3.26Å; N174-T177 PolarHBondContact ND2-OG1 3.33Å; N174-T177 VanDerWaalsContact ND2-OG1 3.09Å; N174-T177 CarbonylContact O-C 3.34Å; N174-T177 PolarHBondContact O-N 2.83Å; T177-L180 WeakPolarHBondContact O-CB 3.29Å; T177-L180 PolarHBondContact O-N 3.08Å; T177-L180 VanDerWaalsContact O-N 3.13Å; T177-L180 WeakPolarHBondContact OG1-CB 3.4Å; T177-L180 VanDerWaalsContact OG1-CD2 3.22Å; T177-L180 WeakPolarHBondContact OG1-CD2 3.34Å |
| 178 | P | 84.3 | Confident | 87.7 | Confident | 60 Ų | 60 | 39.6 Ų | 39.6 | 39% | 0.39 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 139.3 | -169.5 | -28.3 | 31.8 | 0 | 0 | 0 | 114.6 | L180 L582 S585 | P178-L180 PolarHBondContact O-N 3.33Å; P178-L180 VanDerWaalsContact O-N 3.11Å; P178-L582 WeakPolarHBondContact CA-O 3.39Å; P178-L582 WeakPolarHBondContact CB-O 3.38Å; P178-L582 WeakPolarHBondContact CG-O 3.34Å; P178-S585 VanDerWaalsContact CB-OG 3.29Å; P178-S585 WeakPolarHBondContact CB-OG 3.39Å; P178-S585 WeakPolarHBondContact CG-OG 3.28Å |
| 179 | N | 84.5 | Confident | 88.2 | Confident | 49 Ų | 49 | 41 Ų | 41 | 26% | 0.262 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | -0.2 | -177.4 | -51.5 | -83.4 | 0 | 0 | 0 | 116.6 | P181 M583 S585 K587 | N179-P181 WeakPolarHBondContact O-CD 3.16Å; N179-M583 PolarHBondContact N-O 3.45Å; N179-S585 PolarHBondContact ND2-O 2.92Å; N179-K587 WeakPolarHBondContact OD1-CD 3.29Å; N179-K587 WeakPolarHBondContact OD1-CE 3.35Å; N179-K587 WeakPolarHBondContact OD1-CG 2.91Å; N179-K587 PolarHBondContact OD1-NZ 3.44Å |
| 180 | L | 90.4 | Very high | 88.8 | Confident | 95 Ų | 95 | 40.9 Ų | 40.9 | 50% | 0.497 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -76 | 120.9 | 176.5 | -169.2 | 72.1 | 0 | 0 | 0 | 110 | L173 N174 T177 P178 | L173-L180 CarbonylContact C-O 3.59Å; L173-L180 WeakPolarHBondContact CA-O 3.32Å; N174-L180 HydrophobicContact CB-CB 4.46Å; N174-L180 PolarHBondContact N-O 3.01Å; T177-L180 WeakPolarHBondContact O-CB 3.29Å; T177-L180 PolarHBondContact O-N 3.08Å; T177-L180 VanDerWaalsContact O-N 3.13Å; T177-L180 WeakPolarHBondContact OG1-CB 3.4Å; T177-L180 VanDerWaalsContact OG1-CD2 3.22Å; T177-L180 WeakPolarHBondContact OG1-CD2 3.34Å; P178-L180 PolarHBondContact O-N 3.33Å; P178-L180 VanDerWaalsContact O-N 3.11Å |
| 181 | P | 91.5 | Very high | 88.8 | Confident | 78 Ų | 78 | 40.7 Ų | 40.7 | 51% | 0.506 | 22% | 0.221 | S | C | . | . | B | Isolated β-bridge | trans | -72.9 | 145.1 | 175 | 31.1 | -34.5 | 0 | 0 | 0 | 111.4 | W172 L173 N179 | W172-P181 WeakPolarHBondContact O-CA 3.49Å; L173-P181 HydrophobicContact CD2-CB 4.36Å; N179-P181 WeakPolarHBondContact O-CD 3.16Å |
| 182 | I | 92.6 | Very high | 88.8 | Confident | 12 Ų | 12 | 38.1 Ų | 38.1 | 6% | 0.062 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -92 | 134.6 | 166.5 | -66.6 | 160.4 | 0 | 0 | 0 | 107.3 | W172 N174 Q186 V187 I251 I255 P534 | W172-I182 HydrophobicContact CB-CB 3.71Å; W172-I182 HydrophobicContact CB-CD1 4.2Å; W172-I182 HydrophobicContact CB-CG1 4.46Å; W172-I182 HydrophobicContact CB-CG2 4.26Å; W172-I182 HydrophobicContact CE3-CD1 4.24Å; W172-I182 PolarHBondContact O-N 3.42Å; N174-I182 HydrophobicContact CB-CD1 4.29Å; N174-I182 HydrophobicContact CB-CG1 4.25Å; I182-Q186 HydrophobicContact CG2-CB 3.75Å; I182-V187 HydrophobicContact CG2-CG2 4.08Å; I182-I251 HydrophobicContact CD1-CG2 3.79Å; I182-I251 HydrophobicContact CG1-CG2 3.99Å; I182-I251 HydrophobicContact CG2-CG2 4.03Å; I182-I255 HydrophobicContact CG2-CD1 3.95Å; I182-P534 HydrophobicContact CD1-CG 3.64Å |
| 183 | T | 88.7 | Confident | 88.8 | Confident | 65 Ų | 65 | 38 Ų | 38 | 40% | 0.399 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -79 | 155.6 | -172.4 | 70.5 | 0 | 0 | 0 | 0 | 112.5 | D185 Q186 V187 | T183-D185 PolarHBondContact O-N 3.09Å; T183-D185 VanDerWaalsContact O-N 3.17Å; T183-Q186 PolarHBondContact O-N 3.41Å; T183-Q186 VanDerWaalsContact O-N 3.11Å; T183-Q186 PolarHBondContact OG1-N 2.88Å; T183-V187 PolarHBondContact O-N 2.8Å; T183-V187 VanDerWaalsContact O-N 3.15Å |
| 184 | P | 84.6 | Confident | 88.5 | Confident | 41 Ų | 41 | 37.4 Ų | 37.4 | 27% | 0.266 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -55.8 | -28.4 | 171.9 | -26.7 | 36 | 0 | 0 | 0 | 113.9 | A188 L337 | P184-A188 WeakPolarHBondContact O-CB 3.25Å; P184-A188 PolarHBondContact O-N 3.35Å; P184-L337 HydrophobicContact CG-CD1 4.22Å |
| 185 | D | 85.6 | Confident | 88.2 | Confident | 68 Ų | 68 | 38.7 Ų | 38.7 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.1 | -43.8 | 174.2 | -83.8 | -40.6 | 0 | 0 | 0 | 112.9 | T183 V187 A188 D189 H330 | T183-D185 PolarHBondContact O-N 3.09Å; T183-D185 VanDerWaalsContact O-N 3.17Å; D185-V187 VanDerWaalsContact C-N 3.28Å; D185-V187 PolarHBondContact O-N 2.66Å; D185-A188 WeakPolarHBondContact O-CA 3.44Å; D185-A188 VanDerWaalsContact O-CB 3.3Å; D185-A188 WeakPolarHBondContact O-CB 3.27Å; D185-A188 PolarHBondContact O-N 3.35Å; D185-A188 VanDerWaalsContact O-N 3.11Å; D185-D189 PolarHBondContact O-N 3.17Å; D185-H330 IonicContact OD1-CD2 3.55Å; D185-H330 PolarHBondContact OD1-CD2 3.47Å; D185-H330 VanDerWaalsContact OD1-CD2 3.28Å; D185-H330 IonicContact OD2-CD2 3.15Å; D185-H330 IonicContact OD2-NE2 3.21Å |
| 186 | Q | 90.4 | Very high | 88.2 | Confident | 62 Ų | 62 | 38 Ų | 38 | 29% | 0.29 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.8 | -38.7 | 175 | -69.3 | 175.3 | -72.5 | 0 | 0 | 111.2 | I182 T183 D189 G190 I255 | I182-Q186 HydrophobicContact CG2-CB 3.75Å; T183-Q186 PolarHBondContact O-N 3.41Å; T183-Q186 VanDerWaalsContact O-N 3.11Å; T183-Q186 PolarHBondContact OG1-N 2.88Å; Q186-D189 PolarHBondContact O-N 2.85Å; Q186-G190 PolarHBondContact O-N 2.93Å; Q186-I255 HydrophobicContact CB-CD1 4.45Å |
| 187 | V | 89.8 | Confident | 88.5 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.9 | -41 | 173 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | W172 I182 T183 D185 D189 G190 V191 I255 | W172-V187 HydrophobicContact CD2-CG2 4.26Å; W172-V187 HydrophobicContact CG-CG2 3.97Å; I182-V187 HydrophobicContact CG2-CG2 4.08Å; T183-V187 PolarHBondContact O-N 2.8Å; T183-V187 VanDerWaalsContact O-N 3.15Å; D185-V187 VanDerWaalsContact C-N 3.28Å; D185-V187 PolarHBondContact O-N 2.66Å; V187-D189 VanDerWaalsContact C-N 3.32Å; V187-D189 PolarHBondContact O-N 3.12Å; V187-G190 PolarHBondContact O-N 3.45Å; V187-V191 HydrophobicContact CG1-CG2 4.43Å; V187-V191 WeakPolarHBondContact O-CB 3.32Å; V187-V191 WeakPolarHBondContact O-CG2 3.39Å; V187-V191 PolarHBondContact O-N 2.82Å; V187-I255 HydrophobicContact CG2-CD1 4.3Å |
| 188 | A | 87.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.6 | -39.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P184 D185 V191 F192 Y329 | P184-A188 WeakPolarHBondContact O-CB 3.25Å; P184-A188 PolarHBondContact O-N 3.35Å; D185-A188 WeakPolarHBondContact O-CA 3.44Å; D185-A188 VanDerWaalsContact O-CB 3.3Å; D185-A188 WeakPolarHBondContact O-CB 3.27Å; D185-A188 PolarHBondContact O-N 3.35Å; D185-A188 VanDerWaalsContact O-N 3.11Å; A188-V191 WeakPolarHBondContact O-CB 3.37Å; A188-V191 PolarHBondContact O-N 2.93Å; A188-F192 HydrophobicContact CB-CD2 4.19Å; A188-F192 HydrophobicContact CB-CE2 3.82Å; A188-F192 WeakPolarHBondContact O-CB 3.4Å; A188-F192 WeakPolarHBondContact O-CD2 3.38Å; A188-F192 VanDerWaalsContact O-CG 3.28Å; A188-F192 WeakPolarHBondContact O-CG 3.38Å; A188-F192 PolarHBondContact O-N 3.27Å; A188-Y329 HydrophobicContact CB-CD1 3.5Å; A188-Y329 HydrophobicContact CB-CE1 3.38Å |
| 189 | D | 89 | Confident | 88.2 | Confident | 51 Ų | 51 | 28.4 Ų | 28.4 | 27% | 0.273 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 179.1 | -76.5 | -34 | 0 | 0 | 0 | 112.8 | D185 Q186 V187 V191 F192 L193 R326 | D185-D189 PolarHBondContact O-N 3.17Å; Q186-D189 PolarHBondContact O-N 2.85Å; V187-D189 VanDerWaalsContact C-N 3.32Å; V187-D189 PolarHBondContact O-N 3.12Å; D189-V191 VanDerWaalsContact C-N 3.29Å; D189-V191 PolarHBondContact O-N 3.25Å; D189-F192 PolarHBondContact O-N 3.12Å; D189-L193 WeakPolarHBondContact O-CB 3.19Å; D189-L193 PolarHBondContact O-N 3.43Å; D189-R326 IonicContact OD1-CZ 3.86Å; D189-R326 IonicContact OD1-NH1 3.88Å; D189-R326 PolarHBondContact OD1-NH1 3.19Å; D189-R326 IonicContact OD1-NH2 3.28Å; D189-R326 PolarHBondContact OD1-NH2 2.83Å; D189-R326 IonicContact OD2-NH1 2.85Å |
| 190 | G | 89.7 | Confident | 88.5 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.6 | -36 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q186 V187 F194 | Q186-G190 PolarHBondContact O-N 2.93Å; V187-G190 PolarHBondContact O-N 3.45Å; G190-F194 WeakPolarHBondContact O-CB 3.21Å; G190-F194 PolarHBondContact O-N 3.23Å |
| 191 | V | 86.1 | Confident | 88.4 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 175.1 | 160 | 0 | 0 | 0 | 0 | 112.8 | R162 E168 V187 A188 D189 F194 D195 I259 Y329 | R162-V191 PolarHBondContact NH2-O 2.83Å; E168-V191 HydrophobicContact CG-CG2 3.34Å; V187-V191 HydrophobicContact CG1-CG2 4.43Å; V187-V191 WeakPolarHBondContact O-CB 3.32Å; V187-V191 WeakPolarHBondContact O-CG2 3.39Å; V187-V191 PolarHBondContact O-N 2.82Å; A188-V191 WeakPolarHBondContact O-CB 3.37Å; A188-V191 PolarHBondContact O-N 2.93Å; D189-V191 VanDerWaalsContact C-N 3.29Å; D189-V191 PolarHBondContact O-N 3.25Å; V191-F194 PolarHBondContact O-N 3.15Å; V191-D195 PolarHBondContact O-N 2.89Å; V191-I259 HydrophobicContact CB-CD1 4.38Å; V191-I259 HydrophobicContact CG2-CD1 3.55Å; V191-Y329 HydrophobicContact CG1-CD2 4.49Å; V191-Y329 HydrophobicContact CG1-CE2 3.72Å |
| 192 | F | 89.1 | Confident | 88 | Confident | 10 Ų | 10 | 18.5 Ų | 18.5 | 4% | 0.044 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -73.9 | -36.1 | 178.7 | -67.4 | -49.5 | 0 | 0 | 0 | 112.1 | A188 D189 D195 K196 Y320 P321 R326 Y329 | A188-F192 HydrophobicContact CB-CD2 4.19Å; A188-F192 HydrophobicContact CB-CE2 3.82Å; A188-F192 WeakPolarHBondContact O-CB 3.4Å; A188-F192 WeakPolarHBondContact O-CD2 3.38Å; A188-F192 VanDerWaalsContact O-CG 3.28Å; A188-F192 WeakPolarHBondContact O-CG 3.38Å; A188-F192 PolarHBondContact O-N 3.27Å; D189-F192 PolarHBondContact O-N 3.12Å; F192-D195 PolarHBondContact O-N 3.37Å; F192-K196 WeakPolarHBondContact O-CG 3.09Å; F192-K196 PolarHBondContact O-N 3.49Å; F192-K196 VanDerWaalsContact O-N 3.08Å; F192-Y320 HydrophobicContact CB-CE1 4.38Å; F192-Y320 HydrophobicContact CD1-CE1 4.14Å; F192-Y320 AromaticContact CD1-CZ 3.82Å; F192-Y320 WeakPolarHBondContact CD1-OH 3.48Å; F192-P321 HydrophobicContact CB-CG 4.28Å; F192-P321 HydrophobicContact CD1-CB 3.89Å; F192-P321 HydrophobicContact CD1-CG 4.15Å; F192-P321 HydrophobicContact CD2-CB 4.12Å; F192-P321 HydrophobicContact CD2-CG 3.58Å; F192-P321 HydrophobicContact CE1-CB 3.84Å; F192-P321 HydrophobicContact CE1-CG 4.37Å; F192-P321 HydrophobicContact CE2-CB 4.07Å; F192-P321 HydrophobicContact CE2-CG 3.83Å; F192-P321 HydrophobicContact CG-CB 4.03Å; F192-P321 HydrophobicContact CG-CG 3.75Å; F192-P321 HydrophobicContact CZ-CB 3.92Å; F192-P321 HydrophobicContact CZ-CG 4.22Å; F192-R326 HydrophobicContact CE2-CB 4.3Å; F192-R326 HydrophobicContact CE2-CG 4.29Å; F192-Y329 HydrophobicContact CZ-CD1 4.36Å; F192-Y329 HydrophobicContact CZ-CD2 4.36Å; F192-Y329 AromaticContact CZ-CG 3.89Å; F192-Y329 HydrophobicContact CZ-CG 3.89Å |
| 193 | L | 92.2 | Very high | 87.7 | Confident | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58 | -49.8 | 169.9 | 176.9 | 61.2 | 0 | 0 | 0 | 110.1 | D189 D195 K196 V197 L229 I232 F233 F247 E252 F256 | D189-L193 WeakPolarHBondContact O-CB 3.19Å; D189-L193 PolarHBondContact O-N 3.43Å; L193-D195 PolarHBondContact O-N 3.42Å; L193-K196 PolarHBondContact O-N 2.86Å; L193-K196 VanDerWaalsContact O-N 3.17Å; L193-V197 WeakPolarHBondContact O-CG2 3.31Å; L193-V197 PolarHBondContact O-N 3.46Å; L193-V197 VanDerWaalsContact O-N 3.12Å; L193-L229 HydrophobicContact CD1-CD1 4.26Å; L193-L229 HydrophobicContact CG-CD1 4.49Å; L193-I232 HydrophobicContact CD1-CG2 3.94Å; L193-F233 HydrophobicContact CD1-CD1 4.42Å; L193-F233 HydrophobicContact CD1-CE1 3.99Å; L193-F233 HydrophobicContact CD2-CE1 3.85Å; L193-F233 HydrophobicContact CD2-CZ 4.32Å; L193-F247 HydrophobicContact CD2-CD1 4.14Å; L193-F247 HydrophobicContact CD2-CE1 3.82Å; L193-E252 HydrophobicContact CD2-CG 4.43Å; L193-F256 HydrophobicContact CB-CD2 4.32Å; L193-F256 HydrophobicContact CD2-CD2 3.75Å; L193-F256 HydrophobicContact CD2-CE2 4.18Å; L193-F256 HydrophobicContact CD2-CG 4.36Å; L193-F256 HydrophobicContact CG-CD2 3.8Å; L193-F256 HydrophobicContact CG-CE2 3.89Å |
| 194 | F | 88.5 | Confident | 87.6 | Confident | 1 Ų | 1 | 18.5 Ų | 18.5 | 0% | 0.004 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.2 | -43.5 | 176.8 | 179.9 | -97.2 | 0 | 0 | 0 | 113.2 | G190 V191 K196 V197 I198 F225 F256 I259 V260 Y263 | G190-F194 WeakPolarHBondContact O-CB 3.21Å; G190-F194 PolarHBondContact O-N 3.23Å; V191-F194 PolarHBondContact O-N 3.15Å; F194-K196 PolarHBondContact O-N 3.34Å; F194-V197 PolarHBondContact O-N 3.47Å; F194-I198 HydrophobicContact CD1-CG1 4.21Å; F194-I198 HydrophobicContact CD2-CG1 4.44Å; F194-I198 HydrophobicContact CE1-CD1 4.36Å; F194-I198 HydrophobicContact CE1-CG1 3.58Å; F194-I198 HydrophobicContact CE2-CD1 4.06Å; F194-I198 HydrophobicContact CE2-CG1 3.84Å; F194-I198 HydrophobicContact CZ-CD1 3.67Å; F194-I198 HydrophobicContact CZ-CG1 3.34Å; F194-I198 PolarHBondContact O-N 2.84Å; F194-F225 HydrophobicContact CD2-CE2 4.41Å; F194-F225 HydrophobicContact CD2-CZ 4.22Å; F194-F225 AromaticContact CE2-CE2 3.95Å; F194-F225 HydrophobicContact CE2-CE2 3.95Å; F194-F225 HydrophobicContact CE2-CZ 4.07Å; F194-F256 HydrophobicContact CB-CD2 4.13Å; F194-F256 HydrophobicContact CB-CE2 4.13Å; F194-F256 HydrophobicContact CD2-CE2 4.26Å; F194-I259 HydrophobicContact CB-CG2 4.08Å; F194-I259 HydrophobicContact CD1-CG2 3.65Å; F194-I259 HydrophobicContact CD2-CG2 3.94Å; F194-I259 HydrophobicContact CE1-CG2 4.07Å; F194-I259 HydrophobicContact CE2-CG2 4.35Å; F194-I259 HydrophobicContact CG-CG2 3.58Å; F194-I259 HydrophobicContact CZ-CG2 4.4Å; F194-V260 HydrophobicContact CD2-CG2 3.7Å; F194-V260 HydrophobicContact CE2-CG2 3.75Å; F194-Y263 AromaticContact CE1-CD2 3.46Å; F194-Y263 HydrophobicContact CE1-CD2 3.46Å; F194-Y263 VanDerWaalsContact CE1-CD2 3.46Å; F194-Y263 AromaticContact CE1-CE2 3.75Å; F194-Y263 HydrophobicContact CE1-CE2 3.75Å; F194-Y263 AromaticContact CE1-CG 3.95Å; F194-Y263 HydrophobicContact CE1-CG 3.95Å; F194-Y263 HydrophobicContact CE2-CG 4.38Å; F194-Y263 AromaticContact CZ-CD1 3.79Å; F194-Y263 HydrophobicContact CZ-CD1 3.79Å; F194-Y263 AromaticContact CZ-CD2 3.4Å; F194-Y263 HydrophobicContact CZ-CD2 3.4Å; F194-Y263 HydrophobicContact CZ-CE1 4.21Å; F194-Y263 AromaticContact CZ-CE2 3.82Å; F194-Y263 HydrophobicContact CZ-CE2 3.82Å; F194-Y263 AromaticContact CZ-CG 3.37Å; F194-Y263 HydrophobicContact CZ-CG 3.37Å |
| 195 | D | 84.6 | Confident | 87.6 | Confident | 32 Ų | 32 | 17.4 Ų | 17.4 | 17% | 0.171 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -57.6 | -50.1 | 174.3 | -82.5 | -32.4 | 0 | 0 | 0 | 111.3 | R162 V191 F192 L193 V197 I198 H199 Y320 | R162-D195 IonicContact CZ-OD1 3.92Å; R162-D195 IonicContact CZ-OD2 2.78Å; R162-D195 IonicContact NE-OD1 2.72Å; R162-D195 IonicContact NH2-OD1 3.77Å; R162-D195 PolarHBondContact NH2-OD1 3.02Å; R162-D195 IonicContact NH2-OD2 2.66Å; R162-D195 PolarHBondContact NH2-OD2 3.41Å; V191-D195 PolarHBondContact O-N 2.89Å; F192-D195 PolarHBondContact O-N 3.37Å; L193-D195 PolarHBondContact O-N 3.42Å; D195-V197 VanDerWaalsContact C-N 3.27Å; D195-V197 PolarHBondContact O-N 2.86Å; D195-I198 PolarHBondContact O-N 2.91Å; D195-H199 WeakPolarHBondContact O-CB 3.41Å; D195-H199 PolarHBondContact O-CD2 2.87Å; D195-H199 PolarHBondContact O-N 3.32Å; D195-Y320 HydrophobicContact CB-CE1 3.81Å; D195-Y320 WeakPolarHBondContact CB-OH 3.18Å; D195-Y320 PolarHBondContact OD2-OH 2.94Å |
| 196 | K | 90.1 | Very high | 87.3 | Confident | 9 Ų | 9 | 18.5 Ų | 18.5 | 4% | 0.039 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -54 | -44.6 | 178.6 | -65.2 | 178.5 | -167.6 | -161 | 0 | 111.6 | F192 L193 F194 H199 L200 I232 E236 L316 Y320 | F192-K196 WeakPolarHBondContact O-CG 3.09Å; F192-K196 PolarHBondContact O-N 3.49Å; F192-K196 VanDerWaalsContact O-N 3.08Å; L193-K196 PolarHBondContact O-N 2.86Å; L193-K196 VanDerWaalsContact O-N 3.17Å; F194-K196 PolarHBondContact O-N 3.34Å; K196-H199 PolarHBondContact O-N 3Å; K196-L200 WeakPolarHBondContact O-CB 3.4Å; K196-L200 PolarHBondContact O-N 3.44Å; K196-I232 HydrophobicContact CB-CD1 3.59Å; K196-I232 HydrophobicContact CB-CG1 4.38Å; K196-I232 HydrophobicContact CB-CG2 4.5Å; K196-I232 HydrophobicContact CD-CG2 4.19Å; K196-I232 WeakPolarHBondContact O-CD1 3.48Å; K196-E236 IonicContact NZ-OE1 3.84Å; K196-E236 PolarHBondContact NZ-OE1 2.96Å; K196-L316 HydrophobicContact CB-CB 4.44Å; K196-L316 WeakPolarHBondContact CD-O 3.21Å; K196-L316 WeakPolarHBondContact CE-O 3.32Å; K196-L316 HydrophobicContact CG-CB 4.18Å; K196-L316 PolarHBondContact NZ-O 2.95Å; K196-L316 VanDerWaalsContact NZ-O 3.14Å; K196-Y320 WeakPolarHBondContact CE-O 3.38Å; K196-Y320 HydrophobicContact CG-CD1 3.75Å; K196-Y320 HydrophobicContact CG-CE1 4.2Å; K196-Y320 PolarHBondContact NZ-O 3.44Å |
| 197 | V | 91.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.4 | -49.9 | -179.1 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | L193 F194 D195 H199 L200 T201 F225 A228 L229 I232 F256 | L193-V197 WeakPolarHBondContact O-CG2 3.31Å; L193-V197 PolarHBondContact O-N 3.46Å; L193-V197 VanDerWaalsContact O-N 3.12Å; F194-V197 PolarHBondContact O-N 3.47Å; D195-V197 VanDerWaalsContact C-N 3.27Å; D195-V197 PolarHBondContact O-N 2.86Å; V197-H199 VanDerWaalsContact C-N 3.34Å; V197-H199 PolarHBondContact O-N 2.89Å; V197-L200 PolarHBondContact O-N 3.02Å; V197-T201 WeakPolarHBondContact O-CB 3.47Å; V197-T201 PolarHBondContact O-N 2.86Å; V197-T201 PolarHBondContact O-OG1 3.13Å; V197-F225 HydrophobicContact CB-CE2 4.14Å; V197-F225 HydrophobicContact CB-CZ 4.26Å; V197-F225 HydrophobicContact CG1-CD1 4.06Å; V197-F225 HydrophobicContact CG1-CD2 3.59Å; V197-F225 HydrophobicContact CG1-CE1 3.91Å; V197-F225 HydrophobicContact CG1-CE2 3.42Å; V197-F225 VanDerWaalsContact CG1-CE2 3.42Å; V197-F225 HydrophobicContact CG1-CG 3.9Å; V197-F225 HydrophobicContact CG1-CZ 3.58Å; V197-F225 WeakPolarHBondContact CG1-O 3.34Å; V197-A228 HydrophobicContact CG1-CB 4.1Å; V197-L229 HydrophobicContact CG1-CB 4.16Å; V197-L229 HydrophobicContact CG2-CB 4.06Å; V197-L229 HydrophobicContact CG2-CD1 3.71Å; V197-I232 HydrophobicContact CB-CD1 4.28Å; V197-I232 HydrophobicContact CG2-CD1 3.77Å; V197-F256 HydrophobicContact CG2-CE2 4Å; V197-F256 HydrophobicContact CG2-CZ 4.16Å |
| 198 | I | 84.5 | Confident | 86.3 | Confident | 13 Ų | 13 | 22.4 Ų | 22.4 | 7% | 0.067 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 177.6 | -69.6 | -65.3 | 0 | 0 | 0 | 111.2 | F194 D195 L200 T201 V202 F225 Y263 | F194-I198 HydrophobicContact CD1-CG1 4.21Å; F194-I198 HydrophobicContact CD2-CG1 4.44Å; F194-I198 HydrophobicContact CE1-CD1 4.36Å; F194-I198 HydrophobicContact CE1-CG1 3.58Å; F194-I198 HydrophobicContact CE2-CD1 4.06Å; F194-I198 HydrophobicContact CE2-CG1 3.84Å; F194-I198 HydrophobicContact CZ-CD1 3.67Å; F194-I198 HydrophobicContact CZ-CG1 3.34Å; F194-I198 PolarHBondContact O-N 2.84Å; D195-I198 PolarHBondContact O-N 2.91Å; I198-L200 PolarHBondContact O-N 3.1Å; I198-T201 PolarHBondContact O-N 3.08Å; I198-V202 HydrophobicContact CG2-CG2 4.4Å; I198-V202 WeakPolarHBondContact O-CB 3.35Å; I198-V202 WeakPolarHBondContact O-CG2 3.34Å; I198-V202 PolarHBondContact O-N 3.3Å; I198-F225 HydrophobicContact CD1-CD2 4.01Å; I198-F225 HydrophobicContact CD1-CE2 3.72Å; I198-F225 HydrophobicContact CG1-CE2 4.26Å; I198-Y263 HydrophobicContact CD1-CD1 4.38Å; I198-Y263 HydrophobicContact CD1-CE1 3.75Å |
| 199 | H | 82.8 | Confident | 85.7 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.009 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.3 | -49 | 176.4 | -92.4 | -82.9 | 0 | 0 | 0 | 112.6 | D195 K196 V197 D203 W289 I293 L316 | D195-H199 WeakPolarHBondContact O-CB 3.41Å; D195-H199 PolarHBondContact O-CD2 2.87Å; D195-H199 PolarHBondContact O-N 3.32Å; K196-H199 PolarHBondContact O-N 3Å; V197-H199 VanDerWaalsContact C-N 3.34Å; V197-H199 PolarHBondContact O-N 2.89Å; H199-D203 WeakPolarHBondContact O-CB 3.46Å; H199-D203 PolarHBondContact O-N 3.48Å; H199-D203 VanDerWaalsContact O-N 3.11Å; H199-W289 HydrophobicContact CB-CH2 4.5Å; H199-W289 AromaticContact CD2-CH2 3.73Å; H199-W289 AromaticContact CD2-CZ2 3.91Å; H199-W289 AromaticContact CE1-CD2 3.51Å; H199-W289 AromaticContact CE1-CE2 3.45Å; H199-W289 VanDerWaalsContact CE1-CE2 3.45Å; H199-W289 AromaticContact CE1-CE3 3.38Å; H199-W289 AromaticContact CE1-CH2 3.25Å; H199-W289 WeakPolarHBondContact CE1-CH2 3.42Å; H199-W289 AromaticContact CE1-CZ2 3.34Å; H199-W289 WeakPolarHBondContact CE1-CZ2 3.22Å; H199-W289 AromaticContact CE1-CZ3 3.26Å; H199-W289 WeakPolarHBondContact CE1-CZ3 3.11Å; H199-W289 AromaticContact CG-CH2 3.64Å; H199-W289 AromaticContact CG-CZ3 3.87Å; H199-W289 AromaticContact ND1-CE3 3.62Å; H199-W289 AromaticContact ND1-CH2 3.34Å; H199-W289 VanDerWaalsContact ND1-CH2 3.34Å; H199-W289 WeakPolarHBondContact ND1-CH2 3.43Å; H199-W289 AromaticContact ND1-CZ2 3.94Å; H199-W289 AromaticContact ND1-CZ3 3.16Å; H199-W289 WeakPolarHBondContact ND1-CZ3 3.3Å; H199-W289 AromaticContact NE2-CE2 3.67Å; H199-W289 AromaticContact NE2-CH2 3.49Å; H199-W289 WeakPolarHBondContact NE2-CH2 3.45Å; H199-W289 AromaticContact NE2-CZ2 3.3Å; H199-W289 VanDerWaalsContact NE2-CZ2 3.3Å; H199-W289 WeakPolarHBondContact NE2-CZ2 3.44Å; H199-W289 AromaticContact NE2-CZ3 4Å; H199-I293 VanDerWaalsContact CE1-CD1 3.5Å; H199-I293 WeakPolarHBondContact CE1-CD1 3.47Å; H199-I293 WeakPolarHBondContact NE2-CD1 3.34Å; H199-L316 HydrophobicContact CB-CD1 3.78Å; H199-L316 HydrophobicContact CB-CD2 3.97Å |
| 200 | L | 90.3 | Very high | 84.8 | Confident | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -73.1 | -34.3 | -178.6 | -176.9 | 59.5 | 0 | 0 | 0 | 112.1 | K196 V197 I198 R204 A228 D231 I232 L313 L316 | K196-L200 WeakPolarHBondContact O-CB 3.4Å; K196-L200 PolarHBondContact O-N 3.44Å; V197-L200 PolarHBondContact O-N 3.02Å; I198-L200 PolarHBondContact O-N 3.1Å; L200-R204 HydrophobicContact CD1-CG 4.41Å; L200-R204 WeakPolarHBondContact O-CB 3.24Å; L200-R204 WeakPolarHBondContact O-CD 3.31Å; L200-R204 WeakPolarHBondContact O-CG 3.39Å; L200-R204 PolarHBondContact O-N 3.35Å; L200-A228 HydrophobicContact CB-CB 3.97Å; L200-A228 HydrophobicContact CD2-CB 3.96Å; L200-A228 HydrophobicContact CG-CB 3.88Å; L200-D231 HydrophobicContact CD2-CB 4.4Å; L200-I232 HydrophobicContact CB-CD1 4.43Å; L200-I232 HydrophobicContact CD2-CD1 4.08Å; L200-I232 HydrophobicContact CD2-CG1 3.95Å; L200-L313 HydrophobicContact CD1-CB 4.3Å; L200-L313 HydrophobicContact CD2-CB 4.31Å; L200-L313 HydrophobicContact CD2-CD1 3.86Å; L200-L316 HydrophobicContact CB-CD1 4.14Å |
| 201 | T | 88 | Confident | 83.6 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.9 | -49.1 | 173.5 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | V197 I198 R204 Y205 L224 F225 L278 | V197-T201 WeakPolarHBondContact O-CB 3.47Å; V197-T201 PolarHBondContact O-N 2.86Å; V197-T201 PolarHBondContact O-OG1 3.13Å; I198-T201 PolarHBondContact O-N 3.08Å; T201-R204 PolarHBondContact O-N 3.16Å; T201-Y205 WeakPolarHBondContact O-CB 3.31Å; T201-Y205 PolarHBondContact O-N 2.88Å; T201-L224 HydrophobicContact CG2-CB 3.9Å; T201-F225 HydrophobicContact CG2-CB 4.36Å; T201-F225 WeakPolarHBondContact OG1-CA 3.5Å; T201-L278 HydrophobicContact CG2-CD1 4.2Å; T201-L278 HydrophobicContact CG2-CD2 4.36Å |
| 202 | V | 83.3 | Confident | 82.2 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 179.7 | 169.3 | 0 | 0 | 0 | 0 | 111.6 | I198 R204 Y205 M206 L281 A285 | I198-V202 HydrophobicContact CG2-CG2 4.4Å; I198-V202 WeakPolarHBondContact O-CB 3.35Å; I198-V202 WeakPolarHBondContact O-CG2 3.34Å; I198-V202 PolarHBondContact O-N 3.3Å; V202-R204 PolarHBondContact O-N 3Å; V202-Y205 PolarHBondContact O-N 3.48Å; V202-M206 WeakPolarHBondContact O-CG 3.46Å; V202-M206 PolarHBondContact O-N 3.38Å; V202-L281 HydrophobicContact CG2-CB 4.03Å; V202-L281 HydrophobicContact CG2-CD1 4.12Å; V202-A285 HydrophobicContact CG1-CB 4.11Å |
| 203 | D | 85 | Confident | 80.2 | Confident | 21 Ų | 21 | 47.2 Ų | 47.2 | 11% | 0.112 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 175.7 | 172.6 | 78.5 | 0 | 0 | 0 | 112.5 | H199 M206 K207 L312 | H199-D203 WeakPolarHBondContact O-CB 3.46Å; H199-D203 PolarHBondContact O-N 3.48Å; H199-D203 VanDerWaalsContact O-N 3.11Å; D203-M206 PolarHBondContact O-N 3.23Å; D203-K207 VanDerWaalsContact CG-NZ 3.3Å; D203-K207 WeakPolarHBondContact O-CB 3.38Å; D203-K207 WeakPolarHBondContact O-CG 3.36Å; D203-K207 PolarHBondContact O-N 2.73Å; D203-K207 WeakPolarHBondContact OD1-CE 3.48Å; D203-K207 IonicContact OD1-NZ 3.19Å; D203-K207 PolarHBondContact OD1-NZ 3.01Å; D203-K207 VanDerWaalsContact OD1-NZ 3.15Å; D203-K207 VanDerWaalsContact OD2-CE 3.3Å; D203-K207 WeakPolarHBondContact OD2-CE 3.26Å; D203-K207 IonicContact OD2-NZ 2.6Å; D203-K207 PolarHBondContact OD2-NZ 2.79Å; D203-L312 HydrophobicContact CB-CD2 3.29Å; D203-L312 VanDerWaalsContact CG-CD2 3.4Å |
| 204 | R | 87.2 | Confident | 78.1 | Confident | 56 Ų | 56 | 57.3 Ų | 57.3 | 21% | 0.211 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 175.1 | -75.8 | 169.6 | 176.1 | -158.3 | -11 | 111.8 | L200 T201 V202 M206 K207 T208 K227 D231 | L200-R204 HydrophobicContact CD1-CG 4.41Å; L200-R204 WeakPolarHBondContact O-CB 3.24Å; L200-R204 WeakPolarHBondContact O-CD 3.31Å; L200-R204 WeakPolarHBondContact O-CG 3.39Å; L200-R204 PolarHBondContact O-N 3.35Å; T201-R204 PolarHBondContact O-N 3.16Å; V202-R204 PolarHBondContact O-N 3Å; R204-M206 VanDerWaalsContact C-N 3.33Å; R204-M206 PolarHBondContact O-N 3.47Å; R204-K207 PolarHBondContact O-N 3.37Å; R204-T208 WeakPolarHBondContact O-CB 3.5Å; R204-T208 PolarHBondContact O-N 3.49Å; R204-T208 PolarHBondContact O-OG1 3.14Å; R204-K227 PolarHBondContact NH1-O 2.68Å; R204-D231 IonicContact CZ-OD2 3.05Å; R204-D231 IonicContact NH1-OD2 3.82Å; R204-D231 PolarHBondContact NH1-OD2 2.6Å; R204-D231 IonicContact NH2-OD1 3.89Å; R204-D231 IonicContact NH2-OD2 3.73Å; R204-D231 PolarHBondContact NH2-OD2 3.47Å |
| 205 | Y | 84.4 | Confident | 76 | Confident | 17 Ų | 17 | 63.3 Ų | 63.3 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 174.9 | 171.5 | -108 | 0 | 0 | 0 | 112.1 | T201 V202 K207 T208 K209 L224 L275 L278 D279 | T201-Y205 WeakPolarHBondContact O-CB 3.31Å; T201-Y205 PolarHBondContact O-N 2.88Å; V202-Y205 PolarHBondContact O-N 3.48Å; Y205-K207 PolarHBondContact O-N 3.32Å; Y205-T208 PolarHBondContact O-N 3.44Å; Y205-K209 HydrophobicContact CE1-CD 4.07Å; Y205-K209 VanDerWaalsContact O-CB 3.31Å; Y205-K209 WeakPolarHBondContact O-CB 3.28Å; Y205-K209 PolarHBondContact O-N 2.92Å; Y205-L224 HydrophobicContact CD2-CD1 4.48Å; Y205-L275 HydrophobicContact CD2-CB 4.14Å; Y205-L275 HydrophobicContact CD2-CD2 4.43Å; Y205-L275 HydrophobicContact CE2-CB 3.77Å; Y205-L275 VanDerWaalsContact CE2-O 3.31Å; Y205-L275 WeakPolarHBondContact CE2-O 3.33Å; Y205-L275 PolarHBondContact OH-O 2.78Å; Y205-L278 HydrophobicContact CD1-CB 3.46Å; Y205-L278 VanDerWaalsContact CD1-CB 3.46Å; Y205-L278 HydrophobicContact CD1-CD1 4.25Å; Y205-L278 HydrophobicContact CD2-CB 4.24Å; Y205-L278 HydrophobicContact CD2-CD1 3.94Å; Y205-L278 HydrophobicContact CE1-CB 3.72Å; Y205-L278 HydrophobicContact CE2-CB 4.47Å; Y205-L278 HydrophobicContact CG-CB 3.73Å; Y205-L278 HydrophobicContact CG-CD1 3.63Å; Y205-L278 HydrophobicContact CG-CG 4.32Å; Y205-D279 WeakPolarHBondContact CE1-OD1 3.28Å; Y205-D279 VanDerWaalsContact OH-CG 3.26Å; Y205-D279 PolarHBondContact OH-OD1 3.04Å; Y205-D279 PolarHBondContact OH-OD2 2.85Å |
| 206 | M | 80.5 | Confident | 74.5 | Confident | 92 Ų | 92 | 70.7 Ų | 70.7 | 45% | 0.453 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 178.1 | -74 | -65.6 | -75.9 | 0 | 0 | 113.1 | V202 D203 R204 T208 S210 C282 | V202-M206 WeakPolarHBondContact O-CG 3.46Å; V202-M206 PolarHBondContact O-N 3.38Å; D203-M206 PolarHBondContact O-N 3.23Å; R204-M206 VanDerWaalsContact C-N 3.33Å; R204-M206 PolarHBondContact O-N 3.47Å; M206-T208 VanDerWaalsContact C-N 3.3Å; M206-S210 WeakPolarHBondContact O-CB 3.19Å; M206-S210 PolarHBondContact O-N 3.24Å; M206-S210 VanDerWaalsContact O-N 3.07Å; M206-S210 PolarHBondContact O-OG 3.17Å; M206-C282 HydrophobicContact CG-CB 4.49Å; M206-C282 VanDerWaalsContact CG-SG 3.55Å; M206-C282 HydrophobicContact SD-CB 3.87Å; M206-C282 PolarHBondContact SD-SG 3.42Å |
| 207 | K | 80.8 | Confident | 72.8 | Confident | 104 Ų | 104 | 74 Ų | 74 | 45% | 0.452 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.7 | -27.2 | 174.4 | -74.9 | 169.4 | 178.6 | 166 | 0 | 113.5 | D203 R204 Y205 S210 K211 | D203-K207 VanDerWaalsContact CG-NZ 3.3Å; D203-K207 WeakPolarHBondContact O-CB 3.38Å; D203-K207 WeakPolarHBondContact O-CG 3.36Å; D203-K207 PolarHBondContact O-N 2.73Å; D203-K207 WeakPolarHBondContact OD1-CE 3.48Å; D203-K207 IonicContact OD1-NZ 3.19Å; D203-K207 PolarHBondContact OD1-NZ 3.01Å; D203-K207 VanDerWaalsContact OD1-NZ 3.15Å; D203-K207 VanDerWaalsContact OD2-CE 3.3Å; D203-K207 WeakPolarHBondContact OD2-CE 3.26Å; D203-K207 IonicContact OD2-NZ 2.6Å; D203-K207 PolarHBondContact OD2-NZ 2.79Å; R204-K207 PolarHBondContact O-N 3.37Å; Y205-K207 PolarHBondContact O-N 3.32Å; K207-S210 PolarHBondContact O-OG 2.96Å; K207-K211 WeakPolarHBondContact O-CD 3.31Å; K207-K211 VanDerWaalsContact O-CG 3.31Å; K207-K211 WeakPolarHBondContact O-CG 3.31Å |
| 208 | T | 78.1 | Confident | 71.3 | Confident | 43 Ų | 43 | 81.4 Ų | 81.4 | 26% | 0.264 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -78.3 | -50.3 | 175.8 | -66.2 | 0 | 0 | 0 | 0 | 110 | R204 Y205 M206 S210 K211 T212 F217 | R204-T208 WeakPolarHBondContact O-CB 3.5Å; R204-T208 PolarHBondContact O-N 3.49Å; R204-T208 PolarHBondContact O-OG1 3.14Å; Y205-T208 PolarHBondContact O-N 3.44Å; M206-T208 VanDerWaalsContact C-N 3.3Å; T208-S210 VanDerWaalsContact C-N 3.27Å; T208-S210 PolarHBondContact O-N 2.8Å; T208-K211 PolarHBondContact O-N 3.27Å; T208-K211 VanDerWaalsContact O-N 3.08Å; T208-T212 PolarHBondContact O-N 3.35Å; T208-T212 PolarHBondContact O-OG1 2.97Å; T208-F217 HydrophobicContact CG2-CD1 4.03Å; T208-F217 HydrophobicContact CG2-CD2 4.42Å; T208-F217 HydrophobicContact CG2-CE1 3.3Å; T208-F217 HydrophobicContact CG2-CE2 3.74Å; T208-F217 HydrophobicContact CG2-CZ 3.13Å |
| 209 | K | 74.7 | Confident | 70.7 | Confident | 91 Ų | 91 | 82.6 Ų | 82.6 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59 | -31.3 | 176.7 | -178.2 | 168.8 | -178.6 | 168.8 | 0 | 113.9 | Y205 D279 | Y205-K209 HydrophobicContact CE1-CD 4.07Å; Y205-K209 VanDerWaalsContact O-CB 3.31Å; Y205-K209 WeakPolarHBondContact O-CB 3.28Å; Y205-K209 PolarHBondContact O-N 2.92Å; K209-D279 IonicContact NZ-OD1 2.89Å; K209-D279 PolarHBondContact NZ-OD1 2.9Å; K209-D279 IonicContact NZ-OD2 2.78Å; K209-D279 PolarHBondContact NZ-OD2 3Å |
| 210 | S | 68.8 | Low | 70.3 | Confident | 94 Ų | 94 | 84.6 Ų | 84.6 | 66% | 0.657 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -20.9 | 177.2 | 64.1 | 0 | 0 | 0 | 0 | 114.4 | M206 K207 T208 | M206-S210 WeakPolarHBondContact O-CB 3.19Å; M206-S210 PolarHBondContact O-N 3.24Å; M206-S210 VanDerWaalsContact O-N 3.07Å; M206-S210 PolarHBondContact O-OG 3.17Å; K207-S210 PolarHBondContact O-OG 2.96Å; T208-S210 VanDerWaalsContact C-N 3.27Å; T208-S210 PolarHBondContact O-N 2.8Å |
| 211 | K | 64.4 | Low | 69.7 | Low | 178 Ų | 178 | 84.7 Ų | 84.7 | 77% | 0.774 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -25.2 | -178.7 | -75.5 | 178.7 | 178.6 | -171.7 | 0 | 113.8 | K207 T208 | K207-K211 WeakPolarHBondContact O-CD 3.31Å; K207-K211 VanDerWaalsContact O-CG 3.31Å; K207-K211 WeakPolarHBondContact O-CG 3.31Å; T208-K211 PolarHBondContact O-N 3.27Å; T208-K211 VanDerWaalsContact O-N 3.08Å |
| 212 | T | 57 | Low | 69.4 | Low | 47 Ų | 47 | 86 Ų | 86 | 29% | 0.288 | 42% | 0.418 | S | S | . | . | trans | -122.5 | 107.7 | -176.2 | 54.5 | 0 | 0 | 0 | 0 | 111.2 | T208 F217 | T208-T212 PolarHBondContact O-N 3.35Å; T208-T212 PolarHBondContact O-OG1 2.97Å; T212-F217 HydrophobicContact CG2-CE1 4.46Å; T212-F217 HydrophobicContact CG2-CE2 4.46Å; T212-F217 HydrophobicContact CG2-CZ 3.71Å; T212-F217 WeakPolarHBondContact OG1-CE2 3.26Å; T212-F217 WeakPolarHBondContact OG1-CZ 3.43Å | ||
| 213 | Q | 47.4 | Very low | 69.4 | Low | 173 Ų | 173 | 88.2 Ų | 88.2 | 81% | 0.808 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -81.1 | 127.1 | 153 | -65.8 | -177.4 | -17.3 | 0 | 0 | 107.6 | ||
| 214 | Y | 48.8 | Very low | 69.6 | Low | 217 Ų | 217 | 87.9 Ų | 87.9 | 85% | 0.851 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 80.9 | 8.7 | 163.9 | -58.6 | -74.2 | 0 | 0 | 0 | 122.7 | ||
| 215 | N | 44.8 | Very low | 69.7 | Low | 126 Ų | 126 | 85.6 Ų | 85.6 | 67% | 0.674 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -99.3 | 136.9 | 169 | -78 | -3 | 0 | 0 | 0 | 112.8 | F217 | N215-F217 PolarHBondContact O-N 2.89Š|
| 216 | H | 52.3 | Low | 70 | Confident | 187 Ų | 187 | 86.2 Ų | 86.2 | 87% | 0.866 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 131 | 163.7 | -98 | -78.6 | 0 | 0 | 0 | 108.8 | ||
| 217 | F | 53.6 | Low | 70.6 | Confident | 80 Ų | 80 | 86.3 Ų | 86.3 | 35% | 0.351 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -95.9 | 119.7 | 169.6 | -79.1 | -73.8 | 0 | 0 | 0 | 109.3 | T208 T212 N215 T219 L275 | T208-F217 HydrophobicContact CG2-CD1 4.03Å; T208-F217 HydrophobicContact CG2-CD2 4.42Å; T208-F217 HydrophobicContact CG2-CE1 3.3Å; T208-F217 HydrophobicContact CG2-CE2 3.74Å; T208-F217 HydrophobicContact CG2-CZ 3.13Å; T212-F217 HydrophobicContact CG2-CE1 4.46Å; T212-F217 HydrophobicContact CG2-CE2 4.46Å; T212-F217 HydrophobicContact CG2-CZ 3.71Å; T212-F217 WeakPolarHBondContact OG1-CE2 3.26Å; T212-F217 WeakPolarHBondContact OG1-CZ 3.43Å; N215-F217 PolarHBondContact O-N 2.89Å; F217-T219 PolarHBondContact O-N 3.29Å; F217-L275 HydrophobicContact CB-CD1 3.59Å; F217-L275 HydrophobicContact CD2-CD1 4.35Å; F217-L275 HydrophobicContact CG-CD1 4.04Å |
| 218 | D | 61.2 | Low | 71.2 | Confident | 154 Ų | 154 | 81.4 Ų | 81.4 | 82% | 0.824 | 40% | 0.398 | S | S | * | . | trans | -70.1 | -18.7 | 168.7 | -61.4 | -33 | 0 | 0 | 0 | 112.1 | T220 | D218-T220 PolarHBondContact O-N 3.45Š| ||
| 219 | T | 70.5 | Confident | 72 | Confident | 39 Ų | 39 | 80.3 Ų | 80.3 | 24% | 0.239 | 39% | 0.391 | C | S | . | . | trans | -62.9 | 125.6 | 178.3 | -50 | 0 | 0 | 0 | 0 | 111.3 | F217 E223 L224 L275 | F217-T219 PolarHBondContact O-N 3.29Å; T219-E223 HydrophobicContact CG2-CB 3.94Å; T219-L224 HydrophobicContact CG2-CD2 3.86Å; T219-L224 HydrophobicContact CG2-CG 3.88Å; T219-L275 VanDerWaalsContact O-CD1 3.22Å; T219-L275 WeakPolarHBondContact O-CD1 3.49Å; T219-L275 WeakPolarHBondContact O-CG 3.47Å | ||
| 220 | T | 75 | Confident | 73.1 | Confident | 44 Ų | 44 | 79.8 Ų | 79.8 | 27% | 0.27 | 39% | 0.39 | S | S | . | . | trans | -83.9 | 164.7 | 174.6 | 57 | 0 | 0 | 0 | 0 | 113.4 | D218 K222 E223 L224 | D218-T220 PolarHBondContact O-N 3.45Å; T220-K222 PolarHBondContact O-N 3.03Å; T220-E223 PolarHBondContact N-OE1 2.82Å; T220-E223 PolarHBondContact O-N 3.03Å; T220-E223 WeakPolarHBondContact OG1-CG 3.41Å; T220-E223 PolarHBondContact OG1-N 2.77Å; T220-E223 VanDerWaalsContact OG1-N 3.15Å; T220-E223 PolarHBondContact OG1-OE1 2.8Å; T220-L224 PolarHBondContact O-N 3.29Å | ||
| 221 | V | 77.6 | Confident | 74.4 | Confident | 7 Ų | 7 | 77.9 Ų | 77.9 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59 | -39.4 | 169.5 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | E223 L224 F225 I270 L273 P274 L275 L278 | V221-E223 PolarHBondContact O-N 3.44Å; V221-L224 PolarHBondContact O-N 3.11Å; V221-F225 WeakPolarHBondContact O-CB 3.26Å; V221-F225 PolarHBondContact O-N 3.09Å; V221-I270 HydrophobicContact CG1-CG1 4.46Å; V221-L273 HydrophobicContact CB-CB 4.01Å; V221-L273 HydrophobicContact CG2-CB 4.03Å; V221-L273 WeakPolarHBondContact CG2-O 3.19Å; V221-L273 PolarHBondContact N-O 3.15Å; V221-P274 VanDerWaalsContact CG2-O 3.32Å; V221-P274 WeakPolarHBondContact CG2-O 3.41Å; V221-L275 HydrophobicContact CG2-CD2 4.11Å; V221-L278 HydrophobicContact CG1-CD2 4.02Å; V221-L278 HydrophobicContact CG1-CG 4.39Å; V221-L278 HydrophobicContact CG2-CD1 4.17Å; V221-L278 HydrophobicContact CG2-CD2 4.44Å; V221-L278 HydrophobicContact CG2-CG 3.97Å |
| 222 | K | 81.8 | Confident | 76 | Confident | 29 Ų | 29 | 69.4 Ų | 69.4 | 13% | 0.126 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -52.6 | -52.5 | 174.4 | -175.7 | 178.4 | -167.8 | -53.2 | 0 | 112.1 | T220 L224 F225 D226 I270 E271 Y992 | T220-K222 PolarHBondContact O-N 3.03Å; K222-L224 PolarHBondContact O-N 3.26Å; K222-F225 WeakPolarHBondContact O-CB 3.43Å; K222-F225 PolarHBondContact O-N 3.41Å; K222-F225 VanDerWaalsContact O-N 3.17Å; K222-D226 VanDerWaalsContact CG-OD2 3.23Å; K222-D226 WeakPolarHBondContact CG-OD2 3.5Å; K222-D226 IonicContact NZ-OD2 3.71Å; K222-D226 PolarHBondContact NZ-OD2 3.18Å; K222-D226 WeakPolarHBondContact O-CB 3.3Å; K222-D226 VanDerWaalsContact O-CG 3.25Å; K222-D226 PolarHBondContact O-N 3.37Å; K222-I270 HydrophobicContact CB-CD1 4.29Å; K222-I270 HydrophobicContact CB-CG1 3.96Å; K222-I270 HydrophobicContact CB-CG2 4.1Å; K222-I270 HydrophobicContact CD-CG2 3.95Å; K222-I270 HydrophobicContact CG-CD1 4.49Å; K222-I270 HydrophobicContact CG-CG1 4.47Å; K222-I270 HydrophobicContact CG-CG2 3.85Å; K222-E271 HydrophobicContact CD-CB 4.11Å; K222-Y992 VanDerWaalsContact NZ-CE1 3.29Å |
| 223 | E | 84.4 | Confident | 77.9 | Confident | 54 Ų | 54 | 67.4 Ų | 67.4 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 179.4 | -78.2 | 167.4 | -110.6 | 0 | 0 | 114 | T219 T220 V221 F225 K227 | T219-E223 HydrophobicContact CG2-CB 3.94Å; T220-E223 PolarHBondContact N-OE1 2.82Å; T220-E223 PolarHBondContact O-N 3.03Å; T220-E223 WeakPolarHBondContact OG1-CG 3.41Å; T220-E223 PolarHBondContact OG1-N 2.77Å; T220-E223 VanDerWaalsContact OG1-N 3.15Å; T220-E223 PolarHBondContact OG1-OE1 2.8Å; V221-E223 PolarHBondContact O-N 3.44Å; E223-F225 VanDerWaalsContact C-N 3.34Å; E223-K227 VanDerWaalsContact O-CB 3.24Å; E223-K227 WeakPolarHBondContact O-CB 3.29Å; E223-K227 VanDerWaalsContact O-CD 3.24Å; E223-K227 WeakPolarHBondContact O-CD 3.49Å; E223-K227 WeakPolarHBondContact O-CG 3.34Å; E223-K227 PolarHBondContact O-N 3.25Å; E223-K227 IonicContact OE2-NZ 2.72Å; E223-K227 PolarHBondContact OE2-NZ 3.02Å |
| 224 | L | 87.8 | Confident | 80.2 | Confident | 14 Ų | 14 | 61.8 Ų | 61.8 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67 | -39.2 | 175.8 | -69.6 | -175 | 0 | 0 | 0 | 111.5 | T201 Y205 T219 T220 V221 K222 A228 L275 L278 | T201-L224 HydrophobicContact CG2-CB 3.9Å; Y205-L224 HydrophobicContact CD2-CD1 4.48Å; T219-L224 HydrophobicContact CG2-CD2 3.86Å; T219-L224 HydrophobicContact CG2-CG 3.88Å; T220-L224 PolarHBondContact O-N 3.29Å; V221-L224 PolarHBondContact O-N 3.11Å; K222-L224 PolarHBondContact O-N 3.26Å; L224-A228 VanDerWaalsContact O-CB 3.29Å; L224-A228 WeakPolarHBondContact O-CB 3.36Å; L224-A228 PolarHBondContact O-N 2.79Å; L224-L275 HydrophobicContact CD1-CD2 3.54Å; L224-L275 HydrophobicContact CG-CD2 4.15Å; L224-L278 HydrophobicContact CD1-CD1 4.01Å |
| 225 | F | 89.2 | Confident | 82.4 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.1 | -50.4 | 178.6 | -175.7 | -86.8 | 0 | 0 | 0 | 111.9 | F194 V197 I198 T201 V221 K222 E223 A228 L229 F256 V260 I270 | F194-F225 HydrophobicContact CD2-CE2 4.41Å; F194-F225 HydrophobicContact CD2-CZ 4.22Å; F194-F225 AromaticContact CE2-CE2 3.95Å; F194-F225 HydrophobicContact CE2-CE2 3.95Å; F194-F225 HydrophobicContact CE2-CZ 4.07Å; V197-F225 HydrophobicContact CB-CE2 4.14Å; V197-F225 HydrophobicContact CB-CZ 4.26Å; V197-F225 HydrophobicContact CG1-CD1 4.06Å; V197-F225 HydrophobicContact CG1-CD2 3.59Å; V197-F225 HydrophobicContact CG1-CE1 3.91Å; V197-F225 HydrophobicContact CG1-CE2 3.42Å; V197-F225 VanDerWaalsContact CG1-CE2 3.42Å; V197-F225 HydrophobicContact CG1-CG 3.9Å; V197-F225 HydrophobicContact CG1-CZ 3.58Å; V197-F225 WeakPolarHBondContact CG1-O 3.34Å; I198-F225 HydrophobicContact CD1-CD2 4.01Å; I198-F225 HydrophobicContact CD1-CE2 3.72Å; I198-F225 HydrophobicContact CG1-CE2 4.26Å; T201-F225 HydrophobicContact CG2-CB 4.36Å; T201-F225 WeakPolarHBondContact OG1-CA 3.5Å; V221-F225 WeakPolarHBondContact O-CB 3.26Å; V221-F225 PolarHBondContact O-N 3.09Å; K222-F225 WeakPolarHBondContact O-CB 3.43Å; K222-F225 PolarHBondContact O-N 3.41Å; K222-F225 VanDerWaalsContact O-N 3.17Å; E223-F225 VanDerWaalsContact C-N 3.34Å; F225-A228 WeakPolarHBondContact O-CB 3.31Å; F225-A228 PolarHBondContact O-N 2.68Å; F225-A228 VanDerWaalsContact O-N 3.14Å; F225-L229 PolarHBondContact O-N 2.88Å; F225-F256 HydrophobicContact CE1-CE1 4.07Å; F225-F256 AromaticContact CE1-CZ 3.77Å; F225-F256 HydrophobicContact CE1-CZ 3.77Å; F225-F256 HydrophobicContact CZ-CE1 4.21Å; F225-F256 HydrophobicContact CZ-CE2 4.47Å; F225-F256 AromaticContact CZ-CZ 3.62Å; F225-F256 HydrophobicContact CZ-CZ 3.62Å; F225-V260 HydrophobicContact CE1-CG2 4.13Å; F225-V260 HydrophobicContact CZ-CG2 3.66Å; F225-I270 HydrophobicContact CB-CD1 3.89Å; F225-I270 HydrophobicContact CD1-CD1 3.99Å; F225-I270 HydrophobicContact CD2-CD1 4.43Å; F225-I270 HydrophobicContact CG-CD1 3.84Å |
| 226 | D | 90.9 | Very high | 84.8 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 17% | 0.166 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.1 | -38.9 | -178.7 | -65.1 | -28.3 | 0 | 0 | 0 | 111.8 | K222 A228 L229 Q230 Y992 | K222-D226 VanDerWaalsContact CG-OD2 3.23Å; K222-D226 WeakPolarHBondContact CG-OD2 3.5Å; K222-D226 IonicContact NZ-OD2 3.71Å; K222-D226 PolarHBondContact NZ-OD2 3.18Å; K222-D226 WeakPolarHBondContact O-CB 3.3Å; K222-D226 VanDerWaalsContact O-CG 3.25Å; K222-D226 PolarHBondContact O-N 3.37Å; D226-A228 VanDerWaalsContact C-N 3.33Å; D226-A228 PolarHBondContact O-N 3.42Å; D226-L229 PolarHBondContact O-N 2.92Å; D226-Q230 PolarHBondContact O-N 3.47Å; D226-Y992 HydrophobicContact CB-CE1 3.99Å; D226-Y992 WeakPolarHBondContact CB-OH 3.21Å; D226-Y992 WeakPolarHBondContact OD2-CE1 3.05Å; D226-Y992 PolarHBondContact OD2-OH 3.49Å |
| 227 | K | 93 | Very high | 86.9 | Confident | 94 Ų | 94 | 39 Ų | 39 | 41% | 0.409 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 169.9 | -73.1 | 165 | -173.1 | 156.6 | 0 | 110.3 | R204 E223 L229 Q230 D231 | R204-K227 PolarHBondContact NH1-O 2.68Å; E223-K227 VanDerWaalsContact O-CB 3.24Å; E223-K227 WeakPolarHBondContact O-CB 3.29Å; E223-K227 VanDerWaalsContact O-CD 3.24Å; E223-K227 WeakPolarHBondContact O-CD 3.49Å; E223-K227 WeakPolarHBondContact O-CG 3.34Å; E223-K227 PolarHBondContact O-N 3.25Å; E223-K227 IonicContact OE2-NZ 2.72Å; E223-K227 PolarHBondContact OE2-NZ 3.02Å; K227-L229 VanDerWaalsContact C-N 3.35Å; K227-L229 PolarHBondContact O-N 3.35Å; K227-Q230 PolarHBondContact O-N 3.17Å; K227-D231 PolarHBondContact O-N 2.92Å |
| 228 | A | 94.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.3 | -40 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V197 L200 L224 F225 D226 I232 | V197-A228 HydrophobicContact CG1-CB 4.1Å; L200-A228 HydrophobicContact CB-CB 3.97Å; L200-A228 HydrophobicContact CD2-CB 3.96Å; L200-A228 HydrophobicContact CG-CB 3.88Å; L224-A228 VanDerWaalsContact O-CB 3.29Å; L224-A228 WeakPolarHBondContact O-CB 3.36Å; L224-A228 PolarHBondContact O-N 2.79Å; F225-A228 WeakPolarHBondContact O-CB 3.31Å; F225-A228 PolarHBondContact O-N 2.68Å; F225-A228 VanDerWaalsContact O-N 3.14Å; D226-A228 VanDerWaalsContact C-N 3.33Å; D226-A228 PolarHBondContact O-N 3.42Å; A228-I232 VanDerWaalsContact O-CD1 3.27Å; A228-I232 WeakPolarHBondContact O-CD1 3.37Å; A228-I232 VanDerWaalsContact O-CG1 3.27Å; A228-I232 WeakPolarHBondContact O-CG1 3.13Å; A228-I232 PolarHBondContact O-N 2.9Å; A228-I232 VanDerWaalsContact O-N 3.13Å |
| 229 | L | 95.5 | Very high | 90.2 | Very high | 20 Ų | 20 | 39.5 Ų | 39.5 | 11% | 0.105 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.5 | -49.6 | 175 | 178.1 | 62.8 | 0 | 0 | 0 | 112 | L193 V197 F225 D226 K227 D231 I232 F233 F247 F256 | L193-L229 HydrophobicContact CD1-CD1 4.26Å; L193-L229 HydrophobicContact CG-CD1 4.49Å; V197-L229 HydrophobicContact CG1-CB 4.16Å; V197-L229 HydrophobicContact CG2-CB 4.06Å; V197-L229 HydrophobicContact CG2-CD1 3.71Å; F225-L229 PolarHBondContact O-N 2.88Å; D226-L229 PolarHBondContact O-N 2.92Å; K227-L229 VanDerWaalsContact C-N 3.35Å; K227-L229 PolarHBondContact O-N 3.35Å; L229-D231 PolarHBondContact O-N 3.07Å; L229-I232 PolarHBondContact O-N 3.43Å; L229-F233 HydrophobicContact CD1-CD1 4.31Å; L229-F233 HydrophobicContact CD1-CD2 4.32Å; L229-F233 HydrophobicContact CD1-CE1 3.8Å; L229-F233 HydrophobicContact CD1-CE2 3.8Å; L229-F233 HydrophobicContact CD1-CZ 3.53Å; L229-F233 HydrophobicContact CD2-CE2 4.21Å; L229-F233 HydrophobicContact CD2-CZ 4.49Å; L229-F233 HydrophobicContact CG-CD2 4.2Å; L229-F233 HydrophobicContact CG-CE2 3.81Å; L229-F233 HydrophobicContact CG-CZ 4.07Å; L229-F233 PolarHBondContact O-N 3.29Å; L229-F247 HydrophobicContact CD2-CZ 4.27Å; L229-F256 HydrophobicContact CD1-CE1 4.38Å; L229-F256 HydrophobicContact CD1-CE2 4.13Å; L229-F256 HydrophobicContact CD1-CZ 3.79Å; L229-F256 HydrophobicContact CD2-CE1 3.91Å; L229-F256 HydrophobicContact CD2-CZ 3.98Å; L229-F256 HydrophobicContact CG-CZ 4.44Å |
| 230 | Q | 96.9 | Very high | 91.2 | Very high | 80 Ų | 80 | 40.7 Ų | 40.7 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.2 | -45.5 | 180 | -170.1 | 60.6 | 50 | 0 | 0 | 111.8 | D226 K227 I232 F233 D234 A245 | D226-Q230 PolarHBondContact O-N 3.47Å; K227-Q230 PolarHBondContact O-N 3.17Å; Q230-I232 VanDerWaalsContact C-N 3.27Å; Q230-I232 PolarHBondContact O-N 2.94Å; Q230-F233 WeakPolarHBondContact O-CB 3.47Å; Q230-F233 PolarHBondContact O-N 2.92Å; Q230-F233 VanDerWaalsContact O-N 3.09Å; Q230-D234 PolarHBondContact NE2-OD1 3.22Å; Q230-D234 VanDerWaalsContact O-CG 3.26Å; Q230-D234 PolarHBondContact O-N 3.2Å; Q230-A245 PolarHBondContact NE2-O 3.25Å |
| 231 | D | 96.6 | Very high | 92 | Very high | 54 Ų | 54 | 42 Ų | 42 | 29% | 0.289 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62 | -34.4 | 178.6 | -75.9 | -73 | 0 | 0 | 0 | 112.7 | L200 R204 K227 L229 T235 L313 | L200-D231 HydrophobicContact CD2-CB 4.4Å; R204-D231 IonicContact CZ-OD2 3.05Å; R204-D231 IonicContact NH1-OD2 3.82Å; R204-D231 PolarHBondContact NH1-OD2 2.6Å; R204-D231 IonicContact NH2-OD1 3.89Å; R204-D231 IonicContact NH2-OD2 3.73Å; R204-D231 PolarHBondContact NH2-OD2 3.47Å; K227-D231 PolarHBondContact O-N 2.92Å; L229-D231 PolarHBondContact O-N 3.07Å; D231-T235 VanDerWaalsContact O-CB 3.24Å; D231-T235 WeakPolarHBondContact O-CB 3.37Å; D231-T235 PolarHBondContact O-N 2.82Å; D231-T235 VanDerWaalsContact O-N 3.07Å; D231-T235 PolarHBondContact O-OG1 3.08Å; D231-L313 HydrophobicContact CB-CD1 4.36Å; D231-L313 HydrophobicContact CB-CD2 3.99Å |
| 232 | I | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.6 | -43.8 | 173 | -72.1 | 159.2 | 0 | 0 | 0 | 110.7 | L193 K196 V197 L200 A228 L229 Q230 T235 E236 L313 V317 | L193-I232 HydrophobicContact CD1-CG2 3.94Å; K196-I232 HydrophobicContact CB-CD1 3.59Å; K196-I232 HydrophobicContact CB-CG1 4.38Å; K196-I232 HydrophobicContact CB-CG2 4.5Å; K196-I232 HydrophobicContact CD-CG2 4.19Å; K196-I232 WeakPolarHBondContact O-CD1 3.48Å; V197-I232 HydrophobicContact CB-CD1 4.28Å; V197-I232 HydrophobicContact CG2-CD1 3.77Å; L200-I232 HydrophobicContact CB-CD1 4.43Å; L200-I232 HydrophobicContact CD2-CD1 4.08Å; L200-I232 HydrophobicContact CD2-CG1 3.95Å; A228-I232 VanDerWaalsContact O-CD1 3.27Å; A228-I232 WeakPolarHBondContact O-CD1 3.37Å; A228-I232 VanDerWaalsContact O-CG1 3.27Å; A228-I232 WeakPolarHBondContact O-CG1 3.13Å; A228-I232 PolarHBondContact O-N 2.9Å; A228-I232 VanDerWaalsContact O-N 3.13Å; L229-I232 PolarHBondContact O-N 3.43Å; Q230-I232 VanDerWaalsContact C-N 3.27Å; Q230-I232 PolarHBondContact O-N 2.94Å; I232-T235 PolarHBondContact O-N 2.98Å; I232-E236 HydrophobicContact CG2-CG 4.34Å; I232-E236 WeakPolarHBondContact O-CB 3.19Å; I232-E236 WeakPolarHBondContact O-CG 3.18Å; I232-E236 PolarHBondContact O-N 3.39Å; I232-L313 HydrophobicContact CB-CD1 4.47Å; I232-L313 HydrophobicContact CG1-CD1 3.77Å; I232-V317 HydrophobicContact CG2-CG2 4.44Å |
| 233 | F | 97.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 2% | 0.022 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 176.2 | -76.1 | -18.4 | 0 | 0 | 0 | 112.7 | L193 L229 Q230 T235 E236 A237 A245 F247 | L193-F233 HydrophobicContact CD1-CD1 4.42Å; L193-F233 HydrophobicContact CD1-CE1 3.99Å; L193-F233 HydrophobicContact CD2-CE1 3.85Å; L193-F233 HydrophobicContact CD2-CZ 4.32Å; L229-F233 HydrophobicContact CD1-CD1 4.31Å; L229-F233 HydrophobicContact CD1-CD2 4.32Å; L229-F233 HydrophobicContact CD1-CE1 3.8Å; L229-F233 HydrophobicContact CD1-CE2 3.8Å; L229-F233 HydrophobicContact CD1-CZ 3.53Å; L229-F233 HydrophobicContact CD2-CE2 4.21Å; L229-F233 HydrophobicContact CD2-CZ 4.49Å; L229-F233 HydrophobicContact CG-CD2 4.2Å; L229-F233 HydrophobicContact CG-CE2 3.81Å; L229-F233 HydrophobicContact CG-CZ 4.07Å; L229-F233 PolarHBondContact O-N 3.29Å; Q230-F233 WeakPolarHBondContact O-CB 3.47Å; Q230-F233 PolarHBondContact O-N 2.92Å; Q230-F233 VanDerWaalsContact O-N 3.09Å; F233-T235 VanDerWaalsContact C-N 3.3Å; F233-T235 PolarHBondContact O-N 2.73Å; F233-E236 PolarHBondContact O-N 3.31Å; F233-A237 WeakPolarHBondContact O-CB 3.42Å; F233-A237 PolarHBondContact O-N 3.18Å; F233-A245 HydrophobicContact CB-CB 4.25Å; F233-F247 HydrophobicContact CE1-CD1 4.34Å; F233-F247 HydrophobicContact CE1-CE1 4.46Å; F233-F247 HydrophobicContact CE2-CD2 4.31Å; F233-F247 HydrophobicContact CE2-CE2 4.24Å; F233-F247 HydrophobicContact CE2-CZ 4.4Å; F233-F247 AromaticContact CZ-CD1 3.68Å; F233-F247 HydrophobicContact CZ-CD1 3.68Å; F233-F247 HydrophobicContact CZ-CD2 4.03Å; F233-F247 AromaticContact CZ-CE1 3.68Å; F233-F247 HydrophobicContact CZ-CE1 3.68Å; F233-F247 HydrophobicContact CZ-CE2 4.03Å; F233-F247 AromaticContact CZ-CG 3.85Å; F233-F247 HydrophobicContact CZ-CG 3.85Å; F233-F247 AromaticContact CZ-CZ 3.85Å; F233-F247 HydrophobicContact CZ-CZ 3.85Å |
| 234 | D | 96.4 | Very high | 93.7 | Very high | 55 Ų | 55 | 45.7 Ų | 45.7 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 177.4 | -66.4 | -21.6 | 0 | 0 | 0 | 110.5 | Q230 A237 Q238 A245 | Q230-D234 PolarHBondContact NE2-OD1 3.22Å; Q230-D234 VanDerWaalsContact O-CG 3.26Å; Q230-D234 PolarHBondContact O-N 3.2Å; D234-A237 PolarHBondContact O-N 3.14Å; D234-Q238 VanDerWaalsContact O-CG 3.23Å; D234-Q238 WeakPolarHBondContact O-CG 3.2Å; D234-Q238 PolarHBondContact O-N 2.81Å; D234-A245 WeakPolarHBondContact OD1-CB 3.38Å |
| 235 | T | 95.4 | Very high | 94 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 9% | 0.086 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.8 | -39.4 | -178.8 | -53.5 | 0 | 0 | 0 | 0 | 112.3 | D231 I232 F233 A237 Q238 F239 L313 V317 | D231-T235 VanDerWaalsContact O-CB 3.24Å; D231-T235 WeakPolarHBondContact O-CB 3.37Å; D231-T235 PolarHBondContact O-N 2.82Å; D231-T235 VanDerWaalsContact O-N 3.07Å; D231-T235 PolarHBondContact O-OG1 3.08Å; I232-T235 PolarHBondContact O-N 2.98Å; F233-T235 VanDerWaalsContact C-N 3.3Å; F233-T235 PolarHBondContact O-N 2.73Å; T235-A237 VanDerWaalsContact C-N 3.31Å; T235-A237 PolarHBondContact O-N 2.87Å; T235-Q238 PolarHBondContact O-N 3.42Å; T235-F239 HydrophobicContact CG2-CD2 3.8Å; T235-F239 HydrophobicContact CG2-CE2 3.56Å; T235-F239 WeakPolarHBondContact O-CD2 3.29Å; T235-F239 PolarHBondContact O-N 3.46Å; T235-F239 VanDerWaalsContact O-N 3.13Å; T235-L313 HydrophobicContact CG2-CD1 4.46Å; T235-L313 HydrophobicContact CG2-CG 4.3Å; T235-L313 WeakPolarHBondContact OG1-CD2 3.45Å; T235-V317 HydrophobicContact CG2-CB 4Å; T235-V317 HydrophobicContact CG2-CG1 3.98Å; T235-V317 HydrophobicContact CG2-CG2 3.85Å |
| 236 | E | 95.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 2% | 0.023 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.2 | -35.9 | 173.3 | -78.9 | -169.1 | 169.4 | 0 | 0 | 111.8 | K196 I232 F233 G240 I241 R242 R248 V317 | K196-E236 IonicContact NZ-OE1 3.84Å; K196-E236 PolarHBondContact NZ-OE1 2.96Å; I232-E236 HydrophobicContact CG2-CG 4.34Å; I232-E236 WeakPolarHBondContact O-CB 3.19Å; I232-E236 WeakPolarHBondContact O-CG 3.18Å; I232-E236 PolarHBondContact O-N 3.39Å; F233-E236 PolarHBondContact O-N 3.31Å; E236-G240 PolarHBondContact O-N 3.01Å; E236-I241 HydrophobicContact CB-CB 4.21Å; E236-I241 HydrophobicContact CB-CG2 4.34Å; E236-I241 HydrophobicContact CG-CB 4.35Å; E236-I241 HydrophobicContact CG-CG2 4.07Å; E236-I241 WeakPolarHBondContact O-CB 3.43Å; E236-I241 PolarHBondContact O-N 3.34Å; E236-R242 HydrophobicContact CB-CB 3.79Å; E236-R242 PolarHBondContact O-N 3.29Å; E236-R242 IonicContact OE2-CZ 3.46Å; E236-R242 VanDerWaalsContact OE2-CZ 3.3Å; E236-R242 IonicContact OE2-NE 3.5Å; E236-R242 PolarHBondContact OE2-NE 3.18Å; E236-R242 IonicContact OE2-NH2 3.6Å; E236-R242 PolarHBondContact OE2-NH2 2.96Å; E236-R248 IonicContact OE2-NH2 2.88Å; E236-V317 HydrophobicContact CB-CG1 4.5Å; E236-V317 HydrophobicContact CG-CB 4.47Å; E236-V317 HydrophobicContact CG-CG1 3.77Å; E236-V317 HydrophobicContact CG-CG2 4.04Å |
| 237 | A | 94.7 | Very high | 94.4 | Very high | 32 Ų | 32 | 51 Ų | 51 | 26% | 0.264 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.6 | -44.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | F233 D234 T235 F239 G240 A245 | F233-A237 WeakPolarHBondContact O-CB 3.42Å; F233-A237 PolarHBondContact O-N 3.18Å; D234-A237 PolarHBondContact O-N 3.14Å; T235-A237 VanDerWaalsContact C-N 3.31Å; T235-A237 PolarHBondContact O-N 2.87Å; A237-F239 VanDerWaalsContact C-N 3.28Å; A237-F239 PolarHBondContact O-N 2.87Å; A237-G240 PolarHBondContact O-N 3.02Å; A237-A245 HydrophobicContact CB-CB 4.36Å |
| 238 | Q | 93.7 | Very high | 94.4 | Very high | 150 Ų | 150 | 51 Ų | 51 | 70% | 0.701 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59.4 | -35.5 | 176 | -74.9 | 168.3 | 24.8 | 0 | 0 | 113.1 | D234 T235 | D234-Q238 VanDerWaalsContact O-CG 3.23Å; D234-Q238 WeakPolarHBondContact O-CG 3.2Å; D234-Q238 PolarHBondContact O-N 2.81Å; T235-Q238 PolarHBondContact O-N 3.42Å |
| 239 | F | 92.3 | Very high | 94.3 | Very high | 95 Ų | 95 | 54.3 Ų | 54.3 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 3.6 | 175.5 | -70 | -58.5 | 0 | 0 | 0 | 114.4 | T235 A237 I241 T314 V317 Q318 | T235-F239 HydrophobicContact CG2-CD2 3.8Å; T235-F239 HydrophobicContact CG2-CE2 3.56Å; T235-F239 WeakPolarHBondContact O-CD2 3.29Å; T235-F239 PolarHBondContact O-N 3.46Å; T235-F239 VanDerWaalsContact O-N 3.13Å; A237-F239 VanDerWaalsContact C-N 3.28Å; A237-F239 PolarHBondContact O-N 2.87Å; F239-I241 HydrophobicContact CB-CD1 3.79Å; F239-I241 HydrophobicContact CB-CG1 4.06Å; F239-I241 PolarHBondContact O-N 3.29Å; F239-T314 HydrophobicContact CE2-CG2 4.42Å; F239-T314 HydrophobicContact CZ-CG2 4.38Å; F239-V317 HydrophobicContact CD2-CG1 3.76Å; F239-V317 HydrophobicContact CE2-CG1 4.45Å; F239-Q318 HydrophobicContact CD2-CG 4.18Å; F239-Q318 HydrophobicContact CE2-CG 4.02Å; F239-Q318 HydrophobicContact CZ-CG 4.31Å |
| 240 | G | 91.6 | Very high | 94 | Very high | 65 Ų | 65 | 57.2 Ų | 57.2 | 67% | 0.67 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 13.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E236 A237 R242 | E236-G240 PolarHBondContact O-N 3.01Å; A237-G240 PolarHBondContact O-N 3.02Å; G240-R242 PolarHBondContact O-N 3.08Å |
| 241 | I | 90.8 | Very high | 93.7 | Very high | 70 Ų | 70 | 54.2 Ų | 54.2 | 36% | 0.359 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -73.1 | -19.3 | 176.3 | -65.6 | 165.5 | 0 | 0 | 0 | 110.7 | E236 F239 R248 V317 | E236-I241 HydrophobicContact CB-CB 4.21Å; E236-I241 HydrophobicContact CB-CG2 4.34Å; E236-I241 HydrophobicContact CG-CB 4.35Å; E236-I241 HydrophobicContact CG-CG2 4.07Å; E236-I241 WeakPolarHBondContact O-CB 3.43Å; E236-I241 PolarHBondContact O-N 3.34Å; F239-I241 HydrophobicContact CB-CD1 3.79Å; F239-I241 HydrophobicContact CB-CG1 4.06Å; F239-I241 PolarHBondContact O-N 3.29Å; I241-R248 PolarHBondContact O-NH2 2.92Å; I241-V317 HydrophobicContact CD1-CG1 3.58Å |
| 242 | R | 92.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 2% | 0.023 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -145 | 142.4 | -175.4 | -178.8 | -175.3 | -78.6 | -74.9 | -10.2 | 109 | E236 G240 S244 N246 R248 E252 | E236-R242 HydrophobicContact CB-CB 3.79Å; E236-R242 PolarHBondContact O-N 3.29Å; E236-R242 IonicContact OE2-CZ 3.46Å; E236-R242 VanDerWaalsContact OE2-CZ 3.3Å; E236-R242 IonicContact OE2-NE 3.5Å; E236-R242 PolarHBondContact OE2-NE 3.18Å; E236-R242 IonicContact OE2-NH2 3.6Å; E236-R242 PolarHBondContact OE2-NH2 2.96Å; G240-R242 PolarHBondContact O-N 3.08Å; R242-S244 VanDerWaalsContact C-N 3.34Å; R242-S244 WeakPolarHBondContact CD-O 3.36Å; R242-S244 WeakPolarHBondContact CG-O 3.27Å; R242-S244 PolarHBondContact O-N 3.44Å; R242-N246 VanDerWaalsContact CD-O 3.28Å; R242-N246 WeakPolarHBondContact CD-O 3.39Å; R242-N246 PolarHBondContact NH1-O 2.89Å; R242-R248 HydrophobicContact CG-CG 4.33Å; R242-E252 IonicContact CZ-OE1 3.78Å; R242-E252 IonicContact CZ-OE2 3.98Å; R242-E252 IonicContact NH1-OE1 3.21Å; R242-E252 PolarHBondContact NH1-OE1 2.79Å; R242-E252 IonicContact NH1-OE2 2.98Å; R242-E252 PolarHBondContact NH1-OE2 2.8Å; R242-E252 IonicContact NH2-OE1 2.83Å; R242-E252 PolarHBondContact NH2-OE1 3.27Å; R242-E252 IonicContact NH2-OE2 2.86Å |
| 243 | P | 92.1 | Very high | 93.4 | Very high | 111 Ų | 111 | 55 Ų | 55 | 72% | 0.721 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -71.3 | -22.7 | -173.1 | 27.3 | -36 | 0 | 0 | 0 | 114.8 | ||
| 244 | S | 93.6 | Very high | 93 | Very high | 52 Ų | 52 | 54.9 Ų | 54.9 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -156.2 | 170.5 | 176 | 74.5 | 0 | 0 | 0 | 0 | 110.5 | R242 N246 | R242-S244 VanDerWaalsContact C-N 3.34Å; R242-S244 WeakPolarHBondContact CD-O 3.36Å; R242-S244 WeakPolarHBondContact CG-O 3.27Å; R242-S244 PolarHBondContact O-N 3.44Å; S244-N246 PolarHBondContact O-N 2.83Å |
| 245 | A | 94.6 | Very high | 92.7 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -77.8 | 47.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q230 F233 D234 A237 | Q230-A245 PolarHBondContact NE2-O 3.25Å; F233-A245 HydrophobicContact CB-CB 4.25Å; D234-A245 WeakPolarHBondContact OD1-CB 3.38Å; A237-A245 HydrophobicContact CB-CB 4.36Å |
| 246 | N | 94.4 | Very high | 92.4 | Very high | 96 Ų | 96 | 51.8 Ų | 51.8 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -146.7 | 177.3 | 179.4 | -67.6 | -66.8 | 0 | 0 | 0 | 110.5 | R242 S244 | R242-N246 VanDerWaalsContact CD-O 3.28Å; R242-N246 WeakPolarHBondContact CD-O 3.39Å; R242-N246 PolarHBondContact NH1-O 2.89Å; S244-N246 PolarHBondContact O-N 2.83Å |
| 247 | F | 94.2 | Very high | 92 | Very high | 42 Ų | 42 | 53 Ų | 53 | 18% | 0.184 | 29% | 0.293 | C | S | . | . | trans | -53.4 | 145.9 | 166.3 | -64.9 | -75.3 | 0 | 0 | 0 | 111.9 | L193 L229 F233 D249 E252 E253 F256 | L193-F247 HydrophobicContact CD2-CD1 4.14Å; L193-F247 HydrophobicContact CD2-CE1 3.82Å; L229-F247 HydrophobicContact CD2-CZ 4.27Å; F233-F247 HydrophobicContact CE1-CD1 4.34Å; F233-F247 HydrophobicContact CE1-CE1 4.46Å; F233-F247 HydrophobicContact CE2-CD2 4.31Å; F233-F247 HydrophobicContact CE2-CE2 4.24Å; F233-F247 HydrophobicContact CE2-CZ 4.4Å; F233-F247 AromaticContact CZ-CD1 3.68Å; F233-F247 HydrophobicContact CZ-CD1 3.68Å; F233-F247 HydrophobicContact CZ-CD2 4.03Å; F233-F247 AromaticContact CZ-CE1 3.68Å; F233-F247 HydrophobicContact CZ-CE1 3.68Å; F233-F247 HydrophobicContact CZ-CE2 4.03Å; F233-F247 AromaticContact CZ-CG 3.85Å; F233-F247 HydrophobicContact CZ-CG 3.85Å; F233-F247 AromaticContact CZ-CZ 3.85Å; F233-F247 HydrophobicContact CZ-CZ 3.85Å; F247-D249 VanDerWaalsContact C-N 3.33Å; F247-E252 WeakPolarHBondContact CA-OE2 3.28Å; F247-E252 HydrophobicContact CD1-CG 4.23Å; F247-E253 HydrophobicContact CB-CB 3.92Å; F247-E253 HydrophobicContact CD1-CB 4.01Å; F247-E253 HydrophobicContact CD2-CB 3.72Å; F247-E253 HydrophobicContact CD2-CG 3.7Å; F247-E253 HydrophobicContact CE1-CB 4.48Å; F247-E253 HydrophobicContact CE2-CB 4.23Å; F247-E253 HydrophobicContact CE2-CG 3.86Å; F247-E253 HydrophobicContact CG-CB 3.61Å; F247-E253 HydrophobicContact CG-CG 4.14Å; F247-E253 HydrophobicContact CZ-CG 4.4Å; F247-F256 HydrophobicContact CE1-CB 3.72Å; F247-F256 AromaticContact CE1-CD1 3.75Å; F247-F256 HydrophobicContact CE1-CD1 3.75Å; F247-F256 HydrophobicContact CE1-CD2 4.35Å; F247-F256 HydrophobicContact CE1-CE1 4.43Å; F247-F256 AromaticContact CE1-CG 3.69Å; F247-F256 HydrophobicContact CE1-CG 3.69Å; F247-F256 HydrophobicContact CZ-CB 4.3Å; F247-F256 AromaticContact CZ-CD1 3.54Å; F247-F256 HydrophobicContact CZ-CD1 3.54Å; F247-F256 AromaticContact CZ-CE1 3.99Å; F247-F256 HydrophobicContact CZ-CE1 3.99Å; F247-F256 HydrophobicContact CZ-CG 4.01Å | ||
| 248 | R | 92.7 | Very high | 91.6 | Very high | 93 Ų | 93 | 51.5 Ų | 51.5 | 35% | 0.351 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -65.2 | -39.9 | 179.6 | -75.1 | 172.5 | 178.2 | 107.3 | 3.6 | 111.3 | E236 I241 R242 E252 | E236-R248 IonicContact OE2-NH2 2.88Å; I241-R248 PolarHBondContact O-NH2 2.92Å; R242-R248 HydrophobicContact CG-CG 4.33Å; R248-E252 IonicContact CZ-OE1 3.86Å; R248-E252 PolarHBondContact N-OE2 2.68Å; R248-E252 IonicContact NH1-OE1 2.74Å; R248-E252 PolarHBondContact NH1-OE1 3.14Å |
| 249 | D | 91.6 | Very high | 91 | Very high | 69 Ų | 69 | 44.6 Ų | 44.6 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -160.4 | 178.5 | 178.4 | 56.6 | 41.5 | 0 | 0 | 0 | 110.1 | F247 I251 E252 E253 | F247-D249 VanDerWaalsContact C-N 3.33Å; D249-I251 PolarHBondContact O-N 2.99Å; D249-I251 VanDerWaalsContact OD1-CA 3.32Å; D249-I251 WeakPolarHBondContact OD1-CA 3.44Å; D249-I251 VanDerWaalsContact OD1-CB 3.25Å; D249-I251 WeakPolarHBondContact OD1-CB 3.19Å; D249-I251 PolarHBondContact OD1-N 2.89Å; D249-E252 PolarHBondContact OD1-N 3.14Å; D249-E253 PolarHBondContact O-N 3.34Å |
| 250 | H | 89.6 | Confident | 90.4 | Very high | 81 Ų | 81 | 41 Ų | 41 | 38% | 0.375 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.4 | -16.9 | 176.4 | 57.7 | -102.4 | 0 | 0 | 0 | 113.8 | F176 G254 | F176-H250 AromaticContact CD2-CD2 3.08Å; F176-H250 WeakPolarHBondContact CD2-CD2 3.42Å; F176-H250 AromaticContact CD2-CG 3.86Å; F176-H250 AromaticContact CD2-NE2 3.38Å; F176-H250 WeakPolarHBondContact CD2-NE2 3.49Å; F176-H250 HydrophobicContact CE2-CB 3.95Å; F176-H250 AromaticContact CE2-CD2 3.24Å; F176-H250 WeakPolarHBondContact CE2-CD2 3.3Å; F176-H250 AromaticContact CE2-CG 3.7Å; F176-H250 AromaticContact CG-CD2 3.92Å; F176-H250 AromaticContact CG-NE2 3.83Å; F176-H250 HydrophobicContact CZ-CB 4.24Å; H250-G254 PolarHBondContact O-N 3.1Å |
| 251 | I | 91.9 | Very high | 89.6 | Confident | 17 Ų | 17 | 38.5 Ų | 38.5 | 9% | 0.087 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -79 | -49.1 | 179.5 | -54.8 | -179.3 | 0 | 0 | 0 | 108.8 | I182 D249 G254 I255 P534 | I182-I251 HydrophobicContact CD1-CG2 3.79Å; I182-I251 HydrophobicContact CG1-CG2 3.99Å; I182-I251 HydrophobicContact CG2-CG2 4.03Å; D249-I251 PolarHBondContact O-N 2.99Å; D249-I251 VanDerWaalsContact OD1-CA 3.32Å; D249-I251 WeakPolarHBondContact OD1-CA 3.44Å; D249-I251 VanDerWaalsContact OD1-CB 3.25Å; D249-I251 WeakPolarHBondContact OD1-CB 3.19Å; D249-I251 PolarHBondContact OD1-N 2.89Å; I251-G254 PolarHBondContact O-N 3.37Å; I251-I255 HydrophobicContact CG2-CD1 3.7Å; I251-I255 HydrophobicContact CG2-CG1 4.43Å; I251-I255 WeakPolarHBondContact O-CB 3.39Å; I251-I255 WeakPolarHBondContact O-CD1 3.38Å; I251-I255 WeakPolarHBondContact O-CG1 3.46Å; I251-I255 PolarHBondContact O-N 2.86Å; I251-P534 HydrophobicContact CG2-CG 4.41Å |
| 252 | E | 93.3 | Very high | 88.7 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 5% | 0.051 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 174.5 | -170.1 | -168 | -133.3 | 0 | 0 | 111.1 | L193 R242 F247 R248 D249 F256 | L193-E252 HydrophobicContact CD2-CG 4.43Å; R242-E252 IonicContact CZ-OE1 3.78Å; R242-E252 IonicContact CZ-OE2 3.98Å; R242-E252 IonicContact NH1-OE1 3.21Å; R242-E252 PolarHBondContact NH1-OE1 2.79Å; R242-E252 IonicContact NH1-OE2 2.98Å; R242-E252 PolarHBondContact NH1-OE2 2.8Å; R242-E252 IonicContact NH2-OE1 2.83Å; R242-E252 PolarHBondContact NH2-OE1 3.27Å; R242-E252 IonicContact NH2-OE2 2.86Å; F247-E252 WeakPolarHBondContact CA-OE2 3.28Å; F247-E252 HydrophobicContact CD1-CG 4.23Å; R248-E252 IonicContact CZ-OE1 3.86Å; R248-E252 PolarHBondContact N-OE2 2.68Å; R248-E252 IonicContact NH1-OE1 2.74Å; R248-E252 PolarHBondContact NH1-OE1 3.14Å; D249-E252 PolarHBondContact OD1-N 3.14Å; E252-F256 VanDerWaalsContact O-CB 3.25Å; E252-F256 WeakPolarHBondContact O-CB 3.43Å; E252-F256 PolarHBondContact O-N 2.73Å |
| 253 | E | 92.3 | Very high | 87.6 | Confident | 60 Ų | 60 | 36.8 Ų | 36.8 | 28% | 0.28 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.4 | -53.7 | 174 | -179.6 | 174.9 | -170.7 | 0 | 0 | 111.1 | F247 D249 I255 F256 L257 | F247-E253 HydrophobicContact CB-CB 3.92Å; F247-E253 HydrophobicContact CD1-CB 4.01Å; F247-E253 HydrophobicContact CD2-CB 3.72Å; F247-E253 HydrophobicContact CD2-CG 3.7Å; F247-E253 HydrophobicContact CE1-CB 4.48Å; F247-E253 HydrophobicContact CE2-CB 4.23Å; F247-E253 HydrophobicContact CE2-CG 3.86Å; F247-E253 HydrophobicContact CG-CB 3.61Å; F247-E253 HydrophobicContact CG-CG 4.14Å; F247-E253 HydrophobicContact CZ-CG 4.4Å; D249-E253 PolarHBondContact O-N 3.34Å; E253-I255 PolarHBondContact O-N 2.82Å; E253-F256 PolarHBondContact O-N 3.12Å; E253-L257 HydrophobicContact CG-CD1 3.62Å; E253-L257 HydrophobicContact CG-CG 4.29Å; E253-L257 WeakPolarHBondContact O-CB 3.46Å; E253-L257 WeakPolarHBondContact O-CG 3.37Å; E253-L257 PolarHBondContact O-N 3.19Å |
| 254 | G | 89.5 | Confident | 86.3 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.7 | -34.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | H250 I251 S258 P534 | H250-G254 PolarHBondContact O-N 3.1Å; I251-G254 PolarHBondContact O-N 3.37Å; G254-S258 VanDerWaalsContact O-CB 3.25Å; G254-S258 WeakPolarHBondContact O-CB 3.34Å; G254-S258 PolarHBondContact O-N 2.82Å; G254-S258 PolarHBondContact O-OG 2.89Å; G254-P534 CarbonylContact C-O 3.56Å; G254-P534 WeakPolarHBondContact CA-O 3.39Å |
| 255 | I | 90.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.1 | -49.7 | 171.7 | -68.9 | 163.9 | 0 | 0 | 0 | 109.9 | W172 I182 Q186 V187 I251 E253 L257 S258 I259 | W172-I255 HydrophobicContact CE3-CG1 4.08Å; W172-I255 HydrophobicContact CH2-CB 4.34Å; W172-I255 HydrophobicContact CH2-CG1 3.94Å; W172-I255 HydrophobicContact CZ2-CG1 4.49Å; W172-I255 HydrophobicContact CZ3-CG1 3.71Å; I182-I255 HydrophobicContact CG2-CD1 3.95Å; Q186-I255 HydrophobicContact CB-CD1 4.45Å; V187-I255 HydrophobicContact CG2-CD1 4.3Å; I251-I255 HydrophobicContact CG2-CD1 3.7Å; I251-I255 HydrophobicContact CG2-CG1 4.43Å; I251-I255 WeakPolarHBondContact O-CB 3.39Å; I251-I255 WeakPolarHBondContact O-CD1 3.38Å; I251-I255 WeakPolarHBondContact O-CG1 3.46Å; I251-I255 PolarHBondContact O-N 2.86Å; E253-I255 PolarHBondContact O-N 2.82Å; I255-L257 PolarHBondContact O-N 3.16Å; I255-S258 WeakPolarHBondContact O-CB 3.33Å; I255-S258 PolarHBondContact O-N 2.88Å; I255-I259 HydrophobicContact CG2-CD1 3.76Å; I255-I259 WeakPolarHBondContact O-CD1 3.34Å; I255-I259 VanDerWaalsContact O-CG1 3.28Å; I255-I259 WeakPolarHBondContact O-CG1 3.46Å; I255-I259 PolarHBondContact O-N 3.04Å |
| 256 | F | 90.2 | Very high | 82.9 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.4 | -49.2 | 179 | 177.9 | -91.2 | 0 | 0 | 0 | 111.2 | L193 F194 V197 F225 L229 F247 E252 E253 S258 I259 V260 | L193-F256 HydrophobicContact CB-CD2 4.32Å; L193-F256 HydrophobicContact CD2-CD2 3.75Å; L193-F256 HydrophobicContact CD2-CE2 4.18Å; L193-F256 HydrophobicContact CD2-CG 4.36Å; L193-F256 HydrophobicContact CG-CD2 3.8Å; L193-F256 HydrophobicContact CG-CE2 3.89Å; F194-F256 HydrophobicContact CB-CD2 4.13Å; F194-F256 HydrophobicContact CB-CE2 4.13Å; F194-F256 HydrophobicContact CD2-CE2 4.26Å; V197-F256 HydrophobicContact CG2-CE2 4Å; V197-F256 HydrophobicContact CG2-CZ 4.16Å; F225-F256 HydrophobicContact CE1-CE1 4.07Å; F225-F256 AromaticContact CE1-CZ 3.77Å; F225-F256 HydrophobicContact CE1-CZ 3.77Å; F225-F256 HydrophobicContact CZ-CE1 4.21Å; F225-F256 HydrophobicContact CZ-CE2 4.47Å; F225-F256 AromaticContact CZ-CZ 3.62Å; F225-F256 HydrophobicContact CZ-CZ 3.62Å; L229-F256 HydrophobicContact CD1-CE1 4.38Å; L229-F256 HydrophobicContact CD1-CE2 4.13Å; L229-F256 HydrophobicContact CD1-CZ 3.79Å; L229-F256 HydrophobicContact CD2-CE1 3.91Å; L229-F256 HydrophobicContact CD2-CZ 3.98Å; L229-F256 HydrophobicContact CG-CZ 4.44Å; F247-F256 HydrophobicContact CE1-CB 3.72Å; F247-F256 AromaticContact CE1-CD1 3.75Å; F247-F256 HydrophobicContact CE1-CD1 3.75Å; F247-F256 HydrophobicContact CE1-CD2 4.35Å; F247-F256 HydrophobicContact CE1-CE1 4.43Å; F247-F256 AromaticContact CE1-CG 3.69Å; F247-F256 HydrophobicContact CE1-CG 3.69Å; F247-F256 HydrophobicContact CZ-CB 4.3Å; F247-F256 AromaticContact CZ-CD1 3.54Å; F247-F256 HydrophobicContact CZ-CD1 3.54Å; F247-F256 AromaticContact CZ-CE1 3.99Å; F247-F256 HydrophobicContact CZ-CE1 3.99Å; F247-F256 HydrophobicContact CZ-CG 4.01Å; E252-F256 VanDerWaalsContact O-CB 3.25Å; E252-F256 WeakPolarHBondContact O-CB 3.43Å; E252-F256 PolarHBondContact O-N 2.73Å; E253-F256 PolarHBondContact O-N 3.12Å; F256-S258 PolarHBondContact O-N 2.9Å; F256-I259 PolarHBondContact O-N 3.42Å; F256-I259 VanDerWaalsContact O-N 3.13Å; F256-V260 HydrophobicContact CD1-CG2 3.9Å; F256-V260 HydrophobicContact CE1-CG2 3.6Å; F256-V260 HydrophobicContact CE2-CG2 4.49Å; F256-V260 HydrophobicContact CG-CG2 4.47Å; F256-V260 HydrophobicContact CZ-CG2 3.93Å; F256-V260 VanDerWaalsContact O-CG2 3.31Å; F256-V260 WeakPolarHBondContact O-CG2 3.4Å; F256-V260 PolarHBondContact O-N 3.28Å |
| 257 | L | 86.7 | Confident | 80.9 | Confident | 30 Ų | 30 | 29 Ų | 29 | 16% | 0.157 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 176.8 | -68.4 | 167.4 | 0 | 0 | 0 | 112.1 | E253 I255 I259 V260 S261 P536 T997 | E253-L257 HydrophobicContact CG-CD1 3.62Å; E253-L257 HydrophobicContact CG-CG 4.29Å; E253-L257 WeakPolarHBondContact O-CB 3.46Å; E253-L257 WeakPolarHBondContact O-CG 3.37Å; E253-L257 PolarHBondContact O-N 3.19Å; I255-L257 PolarHBondContact O-N 3.16Å; L257-I259 VanDerWaalsContact C-N 3.28Å; L257-I259 PolarHBondContact O-N 3.05Å; L257-V260 PolarHBondContact O-N 2.8Å; L257-S261 WeakPolarHBondContact O-CB 3.18Å; L257-S261 PolarHBondContact O-N 2.9Å; L257-S261 PolarHBondContact O-OG 2.81Å; L257-P536 HydrophobicContact CB-CB 4.37Å; L257-P536 HydrophobicContact CB-CG 4.34Å; L257-T997 HydrophobicContact CD1-CG2 3.4Å; L257-T997 HydrophobicContact CD2-CG2 4.28Å; L257-T997 HydrophobicContact CG-CG2 4.49Å |
| 258 | S | 85.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.1 | -37.7 | 174.1 | -76.6 | 0 | 0 | 0 | 0 | 112.9 | G254 I255 F256 R262 | G254-S258 VanDerWaalsContact O-CB 3.25Å; G254-S258 WeakPolarHBondContact O-CB 3.34Å; G254-S258 PolarHBondContact O-N 2.82Å; G254-S258 PolarHBondContact O-OG 2.89Å; I255-S258 WeakPolarHBondContact O-CB 3.33Å; I255-S258 PolarHBondContact O-N 2.88Å; F256-S258 PolarHBondContact O-N 2.9Å; S258-R262 WeakPolarHBondContact O-CB 3.38Å; S258-R262 VanDerWaalsContact O-CG 3.3Å; S258-R262 WeakPolarHBondContact O-CG 3.48Å; S258-R262 PolarHBondContact O-N 3.22Å |
| 259 | I | 81.8 | Confident | 77.7 | Confident | 5 Ų | 5 | 23.1 Ų | 23.1 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -71.4 | -45.9 | 176.3 | -64.5 | 160 | 0 | 0 | 0 | 110.2 | V167 V191 F194 I255 F256 L257 R262 Y263 | V167-I259 HydrophobicContact CG2-CG1 3.59Å; V191-I259 HydrophobicContact CB-CD1 4.38Å; V191-I259 HydrophobicContact CG2-CD1 3.55Å; F194-I259 HydrophobicContact CB-CG2 4.08Å; F194-I259 HydrophobicContact CD1-CG2 3.65Å; F194-I259 HydrophobicContact CD2-CG2 3.94Å; F194-I259 HydrophobicContact CE1-CG2 4.07Å; F194-I259 HydrophobicContact CE2-CG2 4.35Å; F194-I259 HydrophobicContact CG-CG2 3.58Å; F194-I259 HydrophobicContact CZ-CG2 4.4Å; I255-I259 HydrophobicContact CG2-CD1 3.76Å; I255-I259 WeakPolarHBondContact O-CD1 3.34Å; I255-I259 VanDerWaalsContact O-CG1 3.28Å; I255-I259 WeakPolarHBondContact O-CG1 3.46Å; I255-I259 PolarHBondContact O-N 3.04Å; F256-I259 PolarHBondContact O-N 3.42Å; F256-I259 VanDerWaalsContact O-N 3.13Å; L257-I259 VanDerWaalsContact C-N 3.28Å; L257-I259 PolarHBondContact O-N 3.05Å; I259-R262 PolarHBondContact O-N 3.46Å; I259-Y263 WeakPolarHBondContact O-CB 3.03Å; I259-Y263 PolarHBondContact O-N 2.89Å |
| 260 | V | 79.6 | Confident | 76.4 | Confident | 19 Ų | 19 | 20.9 Ų | 20.9 | 12% | 0.115 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.9 | -51.7 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 111 | F194 F225 F256 L257 R262 Y263 L264 | F194-V260 HydrophobicContact CD2-CG2 3.7Å; F194-V260 HydrophobicContact CE2-CG2 3.75Å; F225-V260 HydrophobicContact CE1-CG2 4.13Å; F225-V260 HydrophobicContact CZ-CG2 3.66Å; F256-V260 HydrophobicContact CD1-CG2 3.9Å; F256-V260 HydrophobicContact CE1-CG2 3.6Å; F256-V260 HydrophobicContact CE2-CG2 4.49Å; F256-V260 HydrophobicContact CG-CG2 4.47Å; F256-V260 HydrophobicContact CZ-CG2 3.93Å; F256-V260 VanDerWaalsContact O-CG2 3.31Å; F256-V260 WeakPolarHBondContact O-CG2 3.4Å; F256-V260 PolarHBondContact O-N 3.28Å; L257-V260 PolarHBondContact O-N 2.8Å; V260-R262 PolarHBondContact O-N 3.07Å; V260-Y263 PolarHBondContact O-N 2.9Å; V260-L264 HydrophobicContact CG1-CD1 3.8Å; V260-L264 WeakPolarHBondContact O-CB 3.45Å; V260-L264 WeakPolarHBondContact O-CG 3.24Å; V260-L264 PolarHBondContact O-N 2.81Å |
| 261 | S | 74.3 | Confident | 75.1 | Confident | 13 Ų | 13 | 22.3 Ų | 22.3 | 9% | 0.091 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -54.6 | -42.4 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 110.6 | L257 A265 G559 | L257-S261 WeakPolarHBondContact O-CB 3.18Å; L257-S261 PolarHBondContact O-N 2.9Å; L257-S261 PolarHBondContact O-OG 2.81Å; S261-A265 WeakPolarHBondContact O-CB 3.32Å; S261-A265 PolarHBondContact O-N 3.08Å; S261-G559 PolarHBondContact OG-O 2.82Å |
| 262 | R | 72.4 | Confident | 73.9 | Confident | 11 Ų | 11 | 24.1 Ų | 24.1 | 4% | 0.042 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -76.6 | -33.7 | -179.4 | -74.6 | -60 | -53.4 | -133.8 | 9 | 115.2 | W164 E165 V167 S258 I259 V260 L264 Y266 H539 W557 | W164-R262 PolarHBondContact O-NH2 3Å; E165-R262 IonicContact OE2-CZ 2.87Å; E165-R262 VanDerWaalsContact OE2-CZ 3.23Å; E165-R262 IonicContact OE2-NH1 2.71Å; E165-R262 PolarHBondContact OE2-NH1 2.86Å; E165-R262 IonicContact OE2-NH2 2.72Å; E165-R262 PolarHBondContact OE2-NH2 3.15Å; V167-R262 HydrophobicContact CG1-CB 4.49Å; V167-R262 HydrophobicContact CG1-CG 3.74Å; S258-R262 WeakPolarHBondContact O-CB 3.38Å; S258-R262 VanDerWaalsContact O-CG 3.3Å; S258-R262 WeakPolarHBondContact O-CG 3.48Å; S258-R262 PolarHBondContact O-N 3.22Å; I259-R262 PolarHBondContact O-N 3.46Å; V260-R262 PolarHBondContact O-N 3.07Å; R262-L264 VanDerWaalsContact C-N 3.29Å; R262-Y266 PolarHBondContact NH2-OH 2.84Å; R262-H539 PolarHBondContact NH1-CE1 3.23Å; R262-H539 PolarHBondContact NH1-ND1 2.68Å; R262-W557 VanDerWaalsContact NH1-NE1 3.12Å |
| 263 | Y | 69.4 | Low | 72.5 | Confident | 30 Ų | 30 | 23.8 Ų | 23.8 | 12% | 0.118 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.3 | -35.6 | 175.4 | -173.5 | -87.8 | 0 | 0 | 0 | 111.1 | Y161 F194 I198 I259 V260 L281 | Y161-Y263 WeakPolarHBondContact O-CD2 3.49Å; Y161-Y263 WeakPolarHBondContact O-CE2 3.46Å; F194-Y263 AromaticContact CE1-CD2 3.46Å; F194-Y263 HydrophobicContact CE1-CD2 3.46Å; F194-Y263 VanDerWaalsContact CE1-CD2 3.46Å; F194-Y263 AromaticContact CE1-CE2 3.75Å; F194-Y263 HydrophobicContact CE1-CE2 3.75Å; F194-Y263 AromaticContact CE1-CG 3.95Å; F194-Y263 HydrophobicContact CE1-CG 3.95Å; F194-Y263 HydrophobicContact CE2-CG 4.38Å; F194-Y263 AromaticContact CZ-CD1 3.79Å; F194-Y263 HydrophobicContact CZ-CD1 3.79Å; F194-Y263 AromaticContact CZ-CD2 3.4Å; F194-Y263 HydrophobicContact CZ-CD2 3.4Å; F194-Y263 HydrophobicContact CZ-CE1 4.21Å; F194-Y263 AromaticContact CZ-CE2 3.82Å; F194-Y263 HydrophobicContact CZ-CE2 3.82Å; F194-Y263 AromaticContact CZ-CG 3.37Å; F194-Y263 HydrophobicContact CZ-CG 3.37Å; I198-Y263 HydrophobicContact CD1-CD1 4.38Å; I198-Y263 HydrophobicContact CD1-CE1 3.75Å; I259-Y263 WeakPolarHBondContact O-CB 3.03Å; I259-Y263 PolarHBondContact O-N 2.89Å; V260-Y263 PolarHBondContact O-N 2.9Å; Y263-L281 HydrophobicContact CE1-CD1 4.44Å; Y263-L281 WeakPolarHBondContact OH-CD1 3.3Å; Y263-L281 VanDerWaalsContact OH-CD2 3.25Å; Y263-L281 WeakPolarHBondContact OH-CD2 3.43Å |
| 264 | L | 64.4 | Low | 71.2 | Confident | 16 Ų | 16 | 21.9 Ų | 21.9 | 8% | 0.084 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -101.6 | -25.5 | -171.9 | -59 | 173.2 | 0 | 0 | 0 | 114.1 | V260 R262 Y266 V267 N268 I270 L273 | V260-L264 HydrophobicContact CG1-CD1 3.8Å; V260-L264 WeakPolarHBondContact O-CB 3.45Å; V260-L264 WeakPolarHBondContact O-CG 3.24Å; V260-L264 PolarHBondContact O-N 2.81Å; R262-L264 VanDerWaalsContact C-N 3.29Å; L264-Y266 PolarHBondContact O-N 3.39Å; L264-V267 PolarHBondContact O-N 3.24Å; L264-N268 CarbonylContact O-C 3.59Å; L264-N268 PolarHBondContact O-N 3.49Å; L264-I270 HydrophobicContact CD1-CB 3.63Å; L264-I270 HydrophobicContact CD1-CD1 3.6Å; L264-I270 HydrophobicContact CD1-CG1 3.63Å; L264-L273 HydrophobicContact CD2-CD1 3.67Å |
| 265 | A | 59.2 | Low | 70.4 | Confident | 8 Ų | 8 | 22.6 Ų | 22.6 | 7% | 0.066 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -14.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S261 W557 G558 Y620 | S261-A265 WeakPolarHBondContact O-CB 3.32Å; S261-A265 PolarHBondContact O-N 3.08Å; A265-W557 HydrophobicContact CB-CB 3.66Å; A265-W557 HydrophobicContact CB-CD2 4.26Å; A265-W557 HydrophobicContact CB-CE3 3.82Å; A265-W557 HydrophobicContact CB-CG 4.22Å; A265-G558 WeakPolarHBondContact CB-O 3.31Å; A265-Y620 PolarHBondContact O-OH 3.33Å |
| 266 | Y | 57.6 | Low | 69.3 | Low | 41 Ų | 41 | 25 Ų | 25 | 16% | 0.161 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -19.1 | 169.7 | -82.6 | -80.7 | 0 | 0 | 0 | 113.6 | W164 R262 L264 W557 Y620 | W164-Y266 HydrophobicContact CB-CE1 4.33Å; W164-Y266 HydrophobicContact CB-CE2 3.72Å; W164-Y266 VanDerWaalsContact CB-CZ 3.48Å; W164-Y266 WeakPolarHBondContact CB-OH 3.41Å; W164-Y266 AromaticContact CD1-CD1 3.93Å; W164-Y266 AromaticContact CD1-CE1 3.42Å; W164-Y266 VanDerWaalsContact CD1-CE1 3.42Å; W164-Y266 AromaticContact CD1-CE2 3.94Å; W164-Y266 AromaticContact CD1-CZ 3.45Å; W164-Y266 VanDerWaalsContact CD1-CZ 3.45Å; W164-Y266 AromaticContact CG-CE1 3.94Å; W164-Y266 HydrophobicContact CG-CE1 3.94Å; W164-Y266 HydrophobicContact CG-CE2 4.13Å; W164-Y266 AromaticContact CG-CZ 3.58Å; R262-Y266 PolarHBondContact NH2-OH 2.84Å; L264-Y266 PolarHBondContact O-N 3.39Å; Y266-W557 HydrophobicContact CE1-CZ3 4.42Å; Y266-W557 HydrophobicContact CE2-CH2 4.23Å; Y266-W557 AromaticContact CE2-CZ3 3.92Å; Y266-W557 HydrophobicContact CE2-CZ3 3.92Å; Y266-W557 AromaticContact CZ-CH2 3.88Å; Y266-W557 AromaticContact CZ-CZ3 3.74Å; Y266-W557 VanDerWaalsContact OH-CH2 3.24Å; Y266-W557 WeakPolarHBondContact OH-CH2 3.45Å; Y266-Y620 HydrophobicContact CD1-CE2 4.45Å |
| 267 | V | 52.4 | Low | 68.1 | Low | 55 Ų | 55 | 26.3 Ų | 26.3 | 33% | 0.333 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -45.7 | -170.6 | -164.2 | 0 | 0 | 0 | 0 | 112.1 | L264 L273 V277 T622 | L264-V267 PolarHBondContact O-N 3.24Å; V267-L273 HydrophobicContact CB-CD2 4.07Å; V267-L273 HydrophobicContact CG1-CD2 3.65Å; V267-V277 HydrophobicContact CG1-CG1 4.06Å; V267-V277 HydrophobicContact CG1-CG2 4.41Å; V267-T622 VanDerWaalsContact O-CB 3.26Å; V267-T622 WeakPolarHBondContact O-CB 3.42Å |
| 268 | N | 58.4 | Low | 67.4 | Low | 8 Ų | 8 | 25.1 Ų | 25.1 | 4% | 0.043 | 13% | 0.131 | C | C | . | . | trans | 162.7 | 164.5 | 167.3 | -101.6 | -21.4 | 0 | 0 | 0 | 107.9 | L264 R272 L273 T622 G623 E624 | L264-N268 CarbonylContact O-C 3.59Å; L264-N268 PolarHBondContact O-N 3.49Å; N268-R272 HydrophobicContact CB-CB 4.28Å; N268-L273 HydrophobicContact CB-CD2 3.78Å; N268-L273 HydrophobicContact CB-CG 4.48Å; N268-T622 VanDerWaalsContact OD1-CB 3.29Å; N268-T622 WeakPolarHBondContact OD1-CB 3.04Å; N268-T622 PolarHBondContact OD1-OG1 3.41Å; N268-G623 PolarHBondContact ND2-O 3.18Å; N268-E624 PolarHBondContact ND2-OE1 2.82Å | ||
| 269 | P | 62.1 | Low | 66.6 | Low | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | trans | -50 | 141.9 | 168.6 | -25.8 | 34.4 | 0 | 0 | 0 | 111.8 | E271 R272 | P269-E271 WeakPolarHBondContact CB-OE1 3.5Å; P269-E271 PolarHBondContact O-N 3.42Å; P269-E271 VanDerWaalsContact O-N 3.14Å; P269-R272 HydrophobicContact CB-CG 4.39Å; P269-R272 WeakPolarHBondContact O-CB 3.29Å; P269-R272 PolarHBondContact O-N 2.78Å | ||
| 270 | I | 64 | Low | 65.7 | Low | 22 Ų | 22 | 29.6 Ų | 29.6 | 11% | 0.113 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -58.8 | -34.2 | -168.2 | -161.4 | 175.3 | 0 | 0 | 0 | 113.1 | V221 K222 F225 L264 R272 L273 | V221-I270 HydrophobicContact CG1-CG1 4.46Å; K222-I270 HydrophobicContact CB-CD1 4.29Å; K222-I270 HydrophobicContact CB-CG1 3.96Å; K222-I270 HydrophobicContact CB-CG2 4.1Å; K222-I270 HydrophobicContact CD-CG2 3.95Å; K222-I270 HydrophobicContact CG-CD1 4.49Å; K222-I270 HydrophobicContact CG-CG1 4.47Å; K222-I270 HydrophobicContact CG-CG2 3.85Å; F225-I270 HydrophobicContact CB-CD1 3.89Å; F225-I270 HydrophobicContact CD1-CD1 3.99Å; F225-I270 HydrophobicContact CD2-CD1 4.43Å; F225-I270 HydrophobicContact CG-CD1 3.84Å; L264-I270 HydrophobicContact CD1-CB 3.63Å; L264-I270 HydrophobicContact CD1-CD1 3.6Å; L264-I270 HydrophobicContact CD1-CG1 3.63Å; I270-R272 PolarHBondContact O-N 3.02Å; I270-L273 PolarHBondContact O-N 3.03Å |
| 271 | E | 63.3 | Low | 65 | Low | 111 Ų | 111 | 29.9 Ų | 29.9 | 52% | 0.519 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -63.8 | -18.6 | 175.5 | 64 | -91.9 | -176.5 | 0 | 0 | 114.3 | K222 P269 | K222-E271 HydrophobicContact CD-CB 4.11Å; P269-E271 WeakPolarHBondContact CB-OE1 3.5Å; P269-E271 PolarHBondContact O-N 3.42Å; P269-E271 VanDerWaalsContact O-N 3.14Å |
| 272 | R | 65 | Low | 64.5 | Low | 56 Ų | 56 | 30.1 Ų | 30.1 | 21% | 0.211 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -98.8 | 1.4 | 178.3 | -49.3 | -174.2 | -165.3 | -175 | -3.7 | 113.2 | N268 P269 I270 P274 P625 | N268-R272 HydrophobicContact CB-CB 4.28Å; P269-R272 HydrophobicContact CB-CG 4.39Å; P269-R272 WeakPolarHBondContact O-CB 3.29Å; P269-R272 PolarHBondContact O-N 2.78Å; I270-R272 PolarHBondContact O-N 3.02Å; R272-P274 WeakPolarHBondContact O-CD 3.32Å; R272-P625 VanDerWaalsContact O-CD 3.25Å; R272-P625 WeakPolarHBondContact O-CD 3.48Å; R272-P625 VanDerWaalsContact O-CG 3.27Å; R272-P625 WeakPolarHBondContact O-CG 3.47Å |
| 273 | L | 65.1 | Low | 63.7 | Low | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | trans | -89.3 | 119.4 | -176.2 | -66.7 | 178.8 | 0 | 0 | 0 | 111.6 | V221 L264 V267 N268 I270 V277 | V221-L273 HydrophobicContact CB-CB 4.01Å; V221-L273 HydrophobicContact CG2-CB 4.03Å; V221-L273 WeakPolarHBondContact CG2-O 3.19Å; V221-L273 PolarHBondContact N-O 3.15Å; L264-L273 HydrophobicContact CD2-CD1 3.67Å; V267-L273 HydrophobicContact CB-CD2 4.07Å; V267-L273 HydrophobicContact CG1-CD2 3.65Å; N268-L273 HydrophobicContact CB-CD2 3.78Å; N268-L273 HydrophobicContact CB-CG 4.48Å; I270-L273 PolarHBondContact O-N 3.03Å; L273-V277 HydrophobicContact CD2-CG2 4.28Å | ||
| 274 | P | 65 | Low | 62.9 | Low | 19 Ų | 19 | 36 Ų | 36 | 12% | 0.123 | 19% | 0.189 | C | C | . | . | trans | -75.1 | 152.5 | 174.6 | 34 | -35.7 | 0 | 0 | 0 | 110.5 | V221 R272 C276 V277 G626 | V221-P274 VanDerWaalsContact CG2-O 3.32Å; V221-P274 WeakPolarHBondContact CG2-O 3.41Å; R272-P274 WeakPolarHBondContact O-CD 3.32Å; P274-C276 WeakPolarHBondContact CG-SG 3.39Å; P274-C276 PolarHBondContact O-N 3.45Å; P274-V277 HydrophobicContact CG-CG2 4.01Å; P274-V277 WeakPolarHBondContact O-CB 3.46Å; P274-V277 PolarHBondContact O-N 3.2Å; P274-G626 VanDerWaalsContact CB-N 3.31Å | ||
| 275 | L | 72.3 | Confident | 62.2 | Low | 19 Ų | 19 | 36.3 Ų | 36.3 | 10% | 0.099 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -26.7 | -179.8 | -68.5 | -177.7 | 0 | 0 | 0 | 114.3 | Y205 F217 T219 V221 L224 V277 L278 | Y205-L275 HydrophobicContact CD2-CB 4.14Å; Y205-L275 HydrophobicContact CD2-CD2 4.43Å; Y205-L275 HydrophobicContact CE2-CB 3.77Å; Y205-L275 VanDerWaalsContact CE2-O 3.31Å; Y205-L275 WeakPolarHBondContact CE2-O 3.33Å; Y205-L275 PolarHBondContact OH-O 2.78Å; F217-L275 HydrophobicContact CB-CD1 3.59Å; F217-L275 HydrophobicContact CD2-CD1 4.35Å; F217-L275 HydrophobicContact CG-CD1 4.04Å; T219-L275 VanDerWaalsContact O-CD1 3.22Å; T219-L275 WeakPolarHBondContact O-CD1 3.49Å; T219-L275 WeakPolarHBondContact O-CG 3.47Å; V221-L275 HydrophobicContact CG2-CD2 4.11Å; L224-L275 HydrophobicContact CD1-CD2 3.54Å; L224-L275 HydrophobicContact CG-CD2 4.15Å; L275-V277 PolarHBondContact O-N 2.79Å; L275-L278 HydrophobicContact CD2-CD1 4.26Å; L275-L278 WeakPolarHBondContact O-CB 3.38Å; L275-L278 PolarHBondContact O-N 2.86Å |
| 276 | C | 66.2 | Low | 61.9 | Low | 51 Ų | 51 | 39.7 Ų | 39.7 | 35% | 0.345 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20 | 175.8 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | P274 L278 D279 S627 | P274-C276 WeakPolarHBondContact CG-SG 3.39Å; P274-C276 PolarHBondContact O-N 3.45Å; C276-L278 PolarHBondContact O-N 3.42Å; C276-D279 WeakPolarHBondContact O-CB 3.36Å; C276-D279 PolarHBondContact O-N 3.45Å; C276-D279 VanDerWaalsContact O-N 3.13Å; C276-S627 PolarHBondContact SG-O 3.39Å |
| 277 | V | 64.9 | Low | 61.4 | Low | 30 Ų | 30 | 41.8 Ų | 41.8 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -27.8 | 171.2 | 164.7 | 0 | 0 | 0 | 0 | 111.9 | V267 L273 P274 L275 D279 D280 | V267-V277 HydrophobicContact CG1-CG1 4.06Å; V267-V277 HydrophobicContact CG1-CG2 4.41Å; L273-V277 HydrophobicContact CD2-CG2 4.28Å; P274-V277 HydrophobicContact CG-CG2 4.01Å; P274-V277 WeakPolarHBondContact O-CB 3.46Å; P274-V277 PolarHBondContact O-N 3.2Å; L275-V277 PolarHBondContact O-N 2.79Å; V277-D279 PolarHBondContact O-N 3.07Å; V277-D280 PolarHBondContact O-N 2.9Å |
| 278 | L | 73.6 | Confident | 61.6 | Low | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68 | -19.8 | 176.6 | -62.2 | 177.4 | 0 | 0 | 0 | 112.4 | T201 Y205 V221 L224 L275 C276 D280 L281 C282 | T201-L278 HydrophobicContact CG2-CD1 4.2Å; T201-L278 HydrophobicContact CG2-CD2 4.36Å; Y205-L278 HydrophobicContact CD1-CB 3.46Å; Y205-L278 VanDerWaalsContact CD1-CB 3.46Å; Y205-L278 HydrophobicContact CD1-CD1 4.25Å; Y205-L278 HydrophobicContact CD2-CB 4.24Å; Y205-L278 HydrophobicContact CD2-CD1 3.94Å; Y205-L278 HydrophobicContact CE1-CB 3.72Å; Y205-L278 HydrophobicContact CE2-CB 4.47Å; Y205-L278 HydrophobicContact CG-CB 3.73Å; Y205-L278 HydrophobicContact CG-CD1 3.63Å; Y205-L278 HydrophobicContact CG-CG 4.32Å; V221-L278 HydrophobicContact CG1-CD2 4.02Å; V221-L278 HydrophobicContact CG1-CG 4.39Å; V221-L278 HydrophobicContact CG2-CD1 4.17Å; V221-L278 HydrophobicContact CG2-CD2 4.44Å; V221-L278 HydrophobicContact CG2-CG 3.97Å; L224-L278 HydrophobicContact CD1-CD1 4.01Å; L275-L278 HydrophobicContact CD2-CD1 4.26Å; L275-L278 WeakPolarHBondContact O-CB 3.38Å; L275-L278 PolarHBondContact O-N 2.86Å; C276-L278 PolarHBondContact O-N 3.42Å; L278-D280 VanDerWaalsContact C-N 3.29Å; L278-D280 PolarHBondContact O-N 3.21Å; L278-L281 HydrophobicContact CD2-CD1 3.81Å; L278-L281 WeakPolarHBondContact O-CB 3.44Å; L278-L281 PolarHBondContact O-N 2.75Å; L278-L281 VanDerWaalsContact O-N 3.13Å; L278-C282 PolarHBondContact O-N 3.42Å; L278-C282 PolarHBondContact O-SG 2.76Å |
| 279 | D | 68.4 | Low | 61.4 | Low | 51 Ų | 51 | 46.1 Ų | 46.1 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.6 | -36.5 | 173.6 | -81.2 | -34.2 | 0 | 0 | 0 | 112.6 | Y205 K209 C276 V277 L281 C282 E283 | Y205-D279 WeakPolarHBondContact CE1-OD1 3.28Å; Y205-D279 VanDerWaalsContact OH-CG 3.26Å; Y205-D279 PolarHBondContact OH-OD1 3.04Å; Y205-D279 PolarHBondContact OH-OD2 2.85Å; K209-D279 IonicContact NZ-OD1 2.89Å; K209-D279 PolarHBondContact NZ-OD1 2.9Å; K209-D279 IonicContact NZ-OD2 2.78Å; K209-D279 PolarHBondContact NZ-OD2 3Å; C276-D279 WeakPolarHBondContact O-CB 3.36Å; C276-D279 PolarHBondContact O-N 3.45Å; C276-D279 VanDerWaalsContact O-N 3.13Å; V277-D279 PolarHBondContact O-N 3.07Å; D279-L281 PolarHBondContact O-N 3.34Å; D279-C282 PolarHBondContact O-N 3.44Å; D279-C282 VanDerWaalsContact O-N 3.17Å; D279-E283 PolarHBondContact O-N 3.23Å |
| 280 | D | 61.4 | Low | 60.9 | Low | 49 Ų | 49 | 49.4 Ų | 49.4 | 26% | 0.262 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.4 | -26.1 | 177.3 | -97.4 | -30.5 | 0 | 0 | 0 | 112.5 | K160 V277 L278 V284 | K160-D280 PolarHBondContact NZ-O 3.01Å; V277-D280 PolarHBondContact O-N 2.9Å; L278-D280 VanDerWaalsContact C-N 3.29Å; L278-D280 PolarHBondContact O-N 3.21Å; D280-V284 WeakPolarHBondContact O-CG2 3.4Å |
| 281 | L | 65 | Low | 60.5 | Low | 24 Ų | 24 | 50.9 Ų | 50.9 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -80.7 | -42.6 | 170.4 | -57.6 | -178.2 | 0 | 0 | 0 | 111 | Y161 V202 Y263 L278 D279 E283 V284 A285 | Y161-L281 HydrophobicContact CD1-CD2 3.76Å; Y161-L281 HydrophobicContact CE1-CB 4.41Å; Y161-L281 HydrophobicContact CE1-CD2 3.87Å; Y161-L281 PolarHBondContact OH-O 3.33Å; V202-L281 HydrophobicContact CG2-CB 4.03Å; V202-L281 HydrophobicContact CG2-CD1 4.12Å; Y263-L281 HydrophobicContact CE1-CD1 4.44Å; Y263-L281 WeakPolarHBondContact OH-CD1 3.3Å; Y263-L281 VanDerWaalsContact OH-CD2 3.25Å; Y263-L281 WeakPolarHBondContact OH-CD2 3.43Å; L278-L281 HydrophobicContact CD2-CD1 3.81Å; L278-L281 WeakPolarHBondContact O-CB 3.44Å; L278-L281 PolarHBondContact O-N 2.75Å; L278-L281 VanDerWaalsContact O-N 3.13Å; D279-L281 PolarHBondContact O-N 3.34Å; L281-E283 VanDerWaalsContact C-N 3.35Å; L281-E283 PolarHBondContact O-N 3.2Å; L281-V284 PolarHBondContact O-N 3.18Å; L281-A285 WeakPolarHBondContact O-CB 3.49Å; L281-A285 PolarHBondContact O-N 3.26Å |
| 282 | C | 65.4 | Low | 60.3 | Low | 18 Ų | 18 | 51.1 Ų | 51.1 | 12% | 0.122 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.6 | -39.6 | 179 | -66.3 | 0 | 0 | 0 | 0 | 113 | M206 L278 D279 V284 A285 | M206-C282 HydrophobicContact CG-CB 4.49Å; M206-C282 VanDerWaalsContact CG-SG 3.55Å; M206-C282 HydrophobicContact SD-CB 3.87Å; M206-C282 PolarHBondContact SD-SG 3.42Å; L278-C282 PolarHBondContact O-N 3.42Å; L278-C282 PolarHBondContact O-SG 2.76Å; D279-C282 PolarHBondContact O-N 3.44Å; D279-C282 VanDerWaalsContact O-N 3.17Å; C282-V284 PolarHBondContact O-N 3.39Å; C282-V284 VanDerWaalsContact O-N 3.12Å; C282-A285 CarbonylContact O-C 3.56Å; C282-A285 PolarHBondContact O-N 3.31Å |
| 283 | E | 55.3 | Low | 60 | Low | 116 Ų | 116 | 49.8 Ų | 49.8 | 54% | 0.542 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24.4 | 175.8 | -80.6 | -157.7 | 155.8 | 0 | 0 | 113.8 | D279 L281 K692 | D279-E283 PolarHBondContact O-N 3.23Å; L281-E283 VanDerWaalsContact C-N 3.35Å; L281-E283 PolarHBondContact O-N 3.2Å; E283-K692 IonicContact OE1-NZ 3.6Å; E283-K692 PolarHBondContact OE1-NZ 2.99Å; E283-K692 WeakPolarHBondContact OE2-CE 3.35Å; E283-K692 IonicContact OE2-NZ 3.98Å; E283-K692 PolarHBondContact OE2-NZ 3.26Å |
| 284 | V | 51.1 | Low | 59.7 | Low | 50 Ų | 50 | 50.8 Ų | 50.8 | 30% | 0.303 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -26.3 | -177.2 | -168.5 | 0 | 0 | 0 | 0 | 110.2 | K160 Y161 D280 L281 C282 D286 | K160-V284 HydrophobicContact CD-CG2 3.61Å; K160-V284 HydrophobicContact CG-CG2 4.1Å; Y161-V284 HydrophobicContact CD2-CG1 4.42Å; Y161-V284 HydrophobicContact CE1-CB 3.8Å; Y161-V284 HydrophobicContact CE1-CG1 3.95Å; Y161-V284 HydrophobicContact CE2-CB 4.23Å; Y161-V284 HydrophobicContact CE2-CG1 3.55Å; Y161-V284 VanDerWaalsContact CZ-CB 3.47Å; Y161-V284 WeakPolarHBondContact OH-CB 3.32Å; Y161-V284 WeakPolarHBondContact OH-CG1 3.29Å; Y161-V284 PolarHBondContact OH-O 3.02Å; D280-V284 WeakPolarHBondContact O-CG2 3.4Å; L281-V284 PolarHBondContact O-N 3.18Å; C282-V284 PolarHBondContact O-N 3.39Å; C282-V284 VanDerWaalsContact O-N 3.12Å; V284-D286 VanDerWaalsContact C-N 3.26Å; V284-D286 PolarHBondContact O-N 3.38Å; V284-D286 VanDerWaalsContact O-N 3.09Å |
| 285 | A | 50.1 | Low | 59.1 | Low | 21 Ų | 21 | 52.3 Ų | 52.3 | 17% | 0.174 | 30% | 0.298 | C | S | . | . | trans | -82.5 | 55.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y161 V202 L281 C282 W289 | Y161-A285 WeakPolarHBondContact OH-CA 3.21Å; Y161-A285 PolarHBondContact OH-N 2.87Å; V202-A285 HydrophobicContact CG1-CB 4.11Å; L281-A285 WeakPolarHBondContact O-CB 3.49Å; L281-A285 PolarHBondContact O-N 3.26Å; C282-A285 CarbonylContact O-C 3.56Å; C282-A285 PolarHBondContact O-N 3.31Å; A285-W289 HydrophobicContact CB-CD2 3.97Å; A285-W289 HydrophobicContact CB-CE3 3.35Å; A285-W289 HydrophobicContact CB-CH2 4.37Å; A285-W289 HydrophobicContact CB-CZ3 3.57Å | ||
| 286 | D | 53.5 | Low | 57.9 | Low | 79 Ų | 79 | 54 Ų | 54 | 42% | 0.422 | 32% | 0.32 | S | S | . | . | trans | -52.6 | 152.3 | 169 | 179.6 | 7.2 | 0 | 0 | 0 | 110.2 | V284 K288 W289 | V284-D286 VanDerWaalsContact C-N 3.26Å; V284-D286 PolarHBondContact O-N 3.38Å; V284-D286 VanDerWaalsContact O-N 3.09Å; D286-K288 PolarHBondContact O-N 3.26Å; D286-W289 WeakPolarHBondContact O-CA 3.26Å; D286-W289 WeakPolarHBondContact O-CB 3.37Å; D286-W289 PolarHBondContact O-N 3.3Å | ||
| 287 | S | 48 | Very low | 56.6 | Low | 85 Ų | 85 | 60.1 Ų | 60.1 | 59% | 0.594 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -39.5 | -34.5 | 167.1 | 59.7 | 0 | 0 | 0 | 0 | 114.5 | W289 S291 | S287-W289 VanDerWaalsContact C-N 3.34Å; S287-W289 PolarHBondContact O-N 3.39Å; S287-S291 PolarHBondContact O-N 2.94Å |
| 288 | K | 56.1 | Low | 55.2 | Low | 111 Ų | 111 | 63.5 Ų | 63.5 | 48% | 0.483 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.6 | -34.2 | 173.9 | -73 | 177.5 | -174.4 | 150.5 | 0 | 114.2 | D286 S291 N292 | D286-K288 PolarHBondContact O-N 3.26Å; K288-S291 WeakPolarHBondContact CA-OG 3.36Å; K288-S291 CarbonylContact O-C 3.53Å; K288-S291 PolarHBondContact O-N 2.9Å; K288-S291 PolarHBondContact O-OG 2.88Å; K288-N292 WeakPolarHBondContact O-CB 3.37Å; K288-N292 PolarHBondContact O-N 3.3Å; K288-N292 PolarHBondContact O-ND2 3.48Å |
| 289 | W | 52.9 | Low | 53.1 | Low | 43 Ų | 43 | 69 Ų | 69 | 16% | 0.163 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.4 | -47.8 | -179.5 | -175.5 | 68.1 | 0 | 0 | 0 | 110.8 | Y161 H199 A285 D286 S287 S291 N292 I293 | Y161-W289 HydrophobicContact CE2-CZ2 4.31Å; Y161-W289 AromaticContact CE2-NE1 3.77Å; H199-W289 HydrophobicContact CB-CH2 4.5Å; H199-W289 AromaticContact CD2-CH2 3.73Å; H199-W289 AromaticContact CD2-CZ2 3.91Å; H199-W289 AromaticContact CE1-CD2 3.51Å; H199-W289 AromaticContact CE1-CE2 3.45Å; H199-W289 VanDerWaalsContact CE1-CE2 3.45Å; H199-W289 AromaticContact CE1-CE3 3.38Å; H199-W289 AromaticContact CE1-CH2 3.25Å; H199-W289 WeakPolarHBondContact CE1-CH2 3.42Å; H199-W289 AromaticContact CE1-CZ2 3.34Å; H199-W289 WeakPolarHBondContact CE1-CZ2 3.22Å; H199-W289 AromaticContact CE1-CZ3 3.26Å; H199-W289 WeakPolarHBondContact CE1-CZ3 3.11Å; H199-W289 AromaticContact CG-CH2 3.64Å; H199-W289 AromaticContact CG-CZ3 3.87Å; H199-W289 AromaticContact ND1-CE3 3.62Å; H199-W289 AromaticContact ND1-CH2 3.34Å; H199-W289 VanDerWaalsContact ND1-CH2 3.34Å; H199-W289 WeakPolarHBondContact ND1-CH2 3.43Å; H199-W289 AromaticContact ND1-CZ2 3.94Å; H199-W289 AromaticContact ND1-CZ3 3.16Å; H199-W289 WeakPolarHBondContact ND1-CZ3 3.3Å; H199-W289 AromaticContact NE2-CE2 3.67Å; H199-W289 AromaticContact NE2-CH2 3.49Å; H199-W289 WeakPolarHBondContact NE2-CH2 3.45Å; H199-W289 AromaticContact NE2-CZ2 3.3Å; H199-W289 VanDerWaalsContact NE2-CZ2 3.3Å; H199-W289 WeakPolarHBondContact NE2-CZ2 3.44Å; H199-W289 AromaticContact NE2-CZ3 4Å; A285-W289 HydrophobicContact CB-CD2 3.97Å; A285-W289 HydrophobicContact CB-CE3 3.35Å; A285-W289 HydrophobicContact CB-CH2 4.37Å; A285-W289 HydrophobicContact CB-CZ3 3.57Å; D286-W289 WeakPolarHBondContact O-CA 3.26Å; D286-W289 WeakPolarHBondContact O-CB 3.37Å; D286-W289 PolarHBondContact O-N 3.3Å; S287-W289 VanDerWaalsContact C-N 3.34Å; S287-W289 PolarHBondContact O-N 3.39Å; W289-S291 VanDerWaalsContact C-N 3.35Å; W289-S291 PolarHBondContact O-N 2.96Å; W289-N292 PolarHBondContact O-N 3.21Å; W289-I293 HydrophobicContact CD2-CD1 4.41Å; W289-I293 HydrophobicContact CG-CD1 4.39Å; W289-I293 HydrophobicContact CZ2-CD1 4.48Å; W289-I293 WeakPolarHBondContact O-CB 3.36Å; W289-I293 PolarHBondContact O-N 2.93Å |
| 290 | Q | 53.4 | Low | 51.4 | Low | 74 Ų | 74 | 73 Ų | 73 | 35% | 0.346 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -54.7 | -49.2 | 169.6 | -68.7 | -180 | -21.5 | 0 | 0 | 111.2 | N292 I293 I294 | Q290-N292 VanDerWaalsContact C-N 3.35Å; Q290-N292 PolarHBondContact O-N 2.7Å; Q290-I293 PolarHBondContact O-N 3.28Å; Q290-I294 PolarHBondContact O-N 3.13Å; Q290-I294 VanDerWaalsContact O-N 3.07Å |
| 291 | S | 55.6 | Low | 49.9 | Very low | 52 Ų | 52 | 78 Ų | 78 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67 | -28.5 | -179 | 77 | 0 | 0 | 0 | 0 | 115 | S287 K288 W289 G295 G296 | S287-S291 PolarHBondContact O-N 2.94Å; K288-S291 WeakPolarHBondContact CA-OG 3.36Å; K288-S291 CarbonylContact O-C 3.53Å; K288-S291 PolarHBondContact O-N 2.9Å; K288-S291 PolarHBondContact O-OG 2.88Å; W289-S291 VanDerWaalsContact C-N 3.35Å; W289-S291 PolarHBondContact O-N 2.96Å; S291-G295 CarbonylContact O-C 3.57Å; S291-G295 PolarHBondContact O-N 2.87Å; S291-G296 PolarHBondContact O-N 3.33Å |
| 292 | N | 57.7 | Low | 48.2 | Very low | 116 Ų | 116 | 83.1 Ų | 83.1 | 62% | 0.62 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -78.7 | -28.2 | 179.9 | -72.6 | -27 | 0 | 0 | 0 | 112 | K288 W289 Q290 | K288-N292 WeakPolarHBondContact O-CB 3.37Å; K288-N292 PolarHBondContact O-N 3.3Å; K288-N292 PolarHBondContact O-ND2 3.48Å; W289-N292 PolarHBondContact O-N 3.21Å; Q290-N292 VanDerWaalsContact C-N 3.35Å; Q290-N292 PolarHBondContact O-N 2.7Å |
| 293 | I | 58.8 | Low | 46.5 | Very low | 29 Ų | 29 | 85.6 Ų | 85.6 | 15% | 0.149 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -92.3 | -37.2 | -173.8 | -74.3 | 178.9 | 0 | 0 | 0 | 111.1 | H199 W289 Q290 Y320 Q325 | H199-I293 VanDerWaalsContact CE1-CD1 3.5Å; H199-I293 WeakPolarHBondContact CE1-CD1 3.47Å; H199-I293 WeakPolarHBondContact NE2-CD1 3.34Å; W289-I293 HydrophobicContact CD2-CD1 4.41Å; W289-I293 HydrophobicContact CG-CD1 4.39Å; W289-I293 HydrophobicContact CZ2-CD1 4.48Å; W289-I293 WeakPolarHBondContact O-CB 3.36Å; W289-I293 PolarHBondContact O-N 2.93Å; Q290-I293 PolarHBondContact O-N 3.28Å; I293-Y320 HydrophobicContact CG2-CD2 3.52Å; I293-Y320 HydrophobicContact CG2-CE2 3.47Å; I293-Y320 VanDerWaalsContact CG2-CE2 3.47Å; I293-Y320 HydrophobicContact CG2-CG 4.13Å; I293-Y320 WeakPolarHBondContact O-CD2 3.37Å; I293-Q325 PolarHBondContact O-NE2 3.13Å; I293-Q325 PolarHBondContact O-OE1 3.07Å |
| 294 | I | 59.4 | Low | 45.1 | Very low | 24 Ų | 24 | 92 Ų | 92 | 12% | 0.123 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -88.2 | -15.1 | 177.1 | -66.4 | 162.3 | 0 | 0 | 0 | 112.3 | Q290 L312 Q315 L316 | Q290-I294 PolarHBondContact O-N 3.13Å; Q290-I294 VanDerWaalsContact O-N 3.07Å; I294-L312 HydrophobicContact CD1-CD1 3.42Å; I294-L312 VanDerWaalsContact CD1-CD1 3.42Å; I294-Q315 HydrophobicContact CD1-CB 3.93Å; I294-Q315 HydrophobicContact CG1-CB 4.41Å; I294-Q315 HydrophobicContact CG2-CB 3.92Å; I294-Q315 HydrophobicContact CG2-CG 4.44Å; I294-L316 HydrophobicContact CD1-CD2 4.29Å; I294-L316 HydrophobicContact CD1-CG 4.5Å; I294-L316 HydrophobicContact CG1-CD2 4.39Å |
| 295 | G | 53.1 | Low | 44.1 | Very low | 52 Ų | 52 | 98 Ų | 98 | 54% | 0.536 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 87.3 | 85.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S291 K297 | S291-G295 CarbonylContact O-C 3.57Å; S291-G295 PolarHBondContact O-N 2.87Å; G295-K297 PolarHBondContact O-N 3.01Å; G295-K297 VanDerWaalsContact O-N 3.15Å |
| 296 | G | 45.3 | Very low | 43.1 | Very low | 55 Ų | 55 | 101.6 Ų | 101.6 | 57% | 0.567 | 59% | 0.585 | S | S | * | * | trans | -60.4 | 115.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S291 S298 | S291-G296 PolarHBondContact O-N 3.33Å; G296-S298 PolarHBondContact O-N 3.39Å | ||
| 297 | K | 40.2 | Very low | 42 | Very low | 179 Ų | 179 | 104.3 Ų | 104.3 | 78% | 0.778 | 60% | 0.599 | S | S | * | * | trans | 4.9 | 104.2 | 167.2 | -66.1 | -178.2 | 178.5 | 179.6 | 0 | 114.9 | G295 | G295-K297 PolarHBondContact O-N 3.01Å; G295-K297 VanDerWaalsContact O-N 3.15Å | ||
| 298 | S | 34.3 | Very low | 41.5 | Very low | 100 Ų | 100 | 107.3 Ų | 107.3 | 70% | 0.699 | 61% | 0.608 | S | S | * | * | trans | -54.9 | 148.2 | 163.1 | 57.1 | 0 | 0 | 0 | 0 | 110.3 | G296 I300 | G296-S298 PolarHBondContact O-N 3.39Å; S298-I300 PolarHBondContact O-N 3.32Å | ||
| 299 | S | 29.6 | Very low | 41.1 | Very low | 120 Ų | 120 | 111.4 Ų | 111.4 | 84% | 0.839 | 63% | 0.629 | S | S | * | * | trans | -72.3 | 87.2 | -170.3 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | N301 | S299-N301 PolarHBondContact O-N 3.35Š| ||
| 300 | I | 32.8 | Very low | 41.5 | Very low | 136 Ų | 136 | 111.8 Ų | 111.8 | 70% | 0.697 | 64% | 0.638 | S | S | * | * | trans | -92.7 | 88.3 | 166.6 | -57.2 | 179.9 | 0 | 0 | 0 | 108.5 | S298 T302 | S298-I300 PolarHBondContact O-N 3.32Å; I300-T302 PolarHBondContact O-N 3.26Å | ||
| 301 | N | 29.6 | Very low | 42.9 | Very low | 155 Ų | 155 | 111 Ų | 111 | 83% | 0.829 | 64% | 0.641 | S | S | * | * | trans | -80 | 87.6 | 159.7 | -89.1 | -7.1 | 0 | 0 | 0 | 108.3 | S299 | S299-N301 PolarHBondContact O-N 3.35Š| ||
| 302 | T | 30.9 | Very low | 44.3 | Very low | 130 Ų | 130 | 109.3 Ų | 109.3 | 80% | 0.798 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 170.5 | 133.6 | 149.5 | 36.8 | 0 | 0 | 0 | 0 | 110.2 | I300 | I300-T302 PolarHBondContact O-N 3.26Š|
| 303 | G | 28.5 | Very low | 45.9 | Very low | 70 Ų | 70 | 105 Ų | 105 | 72% | 0.722 | 60% | 0.604 | S | S | * | * | trans | 97.7 | 109.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115 | H305 | G303-H305 PolarHBondContact O-N 2.6Š| ||
| 304 | R | 26.3 | Very low | 47.4 | Very low | 251 Ų | 251 | 105.2 Ų | 105.2 | 95% | 0.947 | 61% | 0.607 | S | S | * | * | trans | -75 | 95.6 | 160.5 | -80.7 | 175.4 | 165.6 | 172.2 | -7.2 | 108.1 | ||||
| 305 | H | 30.3 | Very low | 48.7 | Very low | 177 Ų | 177 | 106.8 Ų | 106.8 | 82% | 0.819 | 61% | 0.614 | S | S | * | * | trans | -132.3 | 146 | 160.9 | -80 | -76.2 | 0 | 0 | 0 | 109.8 | G303 L307 | G303-H305 PolarHBondContact O-N 2.6Å; H305-L307 PolarHBondContact O-N 3.33Å; H305-L307 VanDerWaalsContact O-N 3.11Å | ||
| 306 | A | 28.3 | Very low | 50.4 | Low | 95 Ų | 95 | 104.3 Ų | 104.3 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | trans | -66.1 | 108 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N308 | A306-N308 PolarHBondContact O-N 3.34Š| ||
| 307 | L | 31.3 | Very low | 52.6 | Low | 137 Ų | 137 | 102 Ų | 102 | 72% | 0.717 | 56% | 0.563 | S | S | * | * | trans | -82.5 | 102.2 | 156.5 | -75.9 | 169.6 | 0 | 0 | 0 | 106.9 | H305 E309 | H305-L307 PolarHBondContact O-N 3.33Å; H305-L307 VanDerWaalsContact O-N 3.11Å; L307-E309 PolarHBondContact O-N 3.13Å | ||
| 308 | N | 36.7 | Very low | 54.8 | Low | 147 Ų | 147 | 98.5 Ų | 98.5 | 79% | 0.786 | 55% | 0.55 | S | S | * | . | trans | -46.8 | 132.2 | 169.6 | -77.5 | -13.4 | 0 | 0 | 0 | 109.6 | A306 S310 | A306-N308 PolarHBondContact O-N 3.34Å; N308-S310 VanDerWaalsContact C-N 3.26Å; N308-S310 PolarHBondContact O-N 2.83Å | ||
| 309 | E | 47.9 | Very low | 57.2 | Low | 197 Ų | 197 | 96.2 Ų | 96.2 | 92% | 0.921 | 53% | 0.534 | S | S | * | . | trans | -70.5 | 84.3 | 176.9 | -66.9 | -166 | 143.1 | 0 | 0 | 109.6 | L307 S311 | L307-E309 PolarHBondContact O-N 3.13Å; E309-S311 PolarHBondContact O-N 3.38Å | ||
| 310 | S | 61.5 | Low | 59.7 | Low | 52 Ų | 52 | 91.3 Ų | 91.3 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | trans | -58 | 133.2 | 173.4 | 57.8 | 0 | 0 | 0 | 0 | 109.5 | N308 Q315 | N308-S310 VanDerWaalsContact C-N 3.26Å; N308-S310 PolarHBondContact O-N 2.83Å; S310-Q315 PolarHBondContact O-NE2 3.48Å; S310-Q315 VanDerWaalsContact OG-CG 3.27Å; S310-Q315 WeakPolarHBondContact OG-CG 3.47Å; S310-Q315 PolarHBondContact OG-NE2 3.49Å | ||
| 311 | S | 82.4 | Confident | 62.2 | Low | 57 Ų | 57 | 86.1 Ų | 86.1 | 40% | 0.399 | 47% | 0.472 | S | S | . | . | trans | -60 | 154.1 | -178.2 | 80.2 | 0 | 0 | 0 | 0 | 111 | E309 L313 T314 Q315 | E309-S311 PolarHBondContact O-N 3.38Å; S311-L313 PolarHBondContact O-N 3.43Å; S311-T314 WeakPolarHBondContact O-CA 2.82Å; S311-T314 WeakPolarHBondContact O-CB 3.32Å; S311-T314 PolarHBondContact O-N 3.17Å; S311-T314 PolarHBondContact OG-N 3.06Å; S311-T314 VanDerWaalsContact OG-N 3.12Å; S311-T314 PolarHBondContact OG-OG1 3.49Å; S311-Q315 WeakPolarHBondContact O-CG 3.35Å; S311-Q315 PolarHBondContact O-N 3.37Å | ||
| 312 | L | 86 | Confident | 64.8 | Low | 16 Ų | 16 | 81 Ų | 81 | 8% | 0.084 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -54.2 | -38.6 | 176 | 178.7 | 66.2 | 0 | 0 | 0 | 111.6 | D203 I294 Q315 L316 | D203-L312 HydrophobicContact CB-CD2 3.29Å; D203-L312 VanDerWaalsContact CG-CD2 3.4Å; I294-L312 HydrophobicContact CD1-CD1 3.42Å; I294-L312 VanDerWaalsContact CD1-CD1 3.42Å; L312-Q315 PolarHBondContact O-N 3.28Å; L312-L316 HydrophobicContact CD1-CD1 4.25Å; L312-L316 HydrophobicContact CD1-CG 4.14Å; L312-L316 HydrophobicContact CD2-CD1 4.34Å; L312-L316 HydrophobicContact CG-CD1 3.84Å; L312-L316 HydrophobicContact CG-CG 4.2Å; L312-L316 WeakPolarHBondContact O-CB 3.3Å; L312-L316 VanDerWaalsContact O-CG 3.25Å; L312-L316 WeakPolarHBondContact O-CG 3.36Å; L312-L316 PolarHBondContact O-N 2.97Å |
| 313 | L | 91.2 | Very high | 67.4 | Low | 25 Ų | 25 | 79.4 Ų | 79.4 | 13% | 0.131 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -56.8 | -51.5 | 173.4 | 168.6 | 60.9 | 0 | 0 | 0 | 111.4 | L200 D231 I232 T235 S311 Q315 L316 V317 | L200-L313 HydrophobicContact CD1-CB 4.3Å; L200-L313 HydrophobicContact CD2-CB 4.31Å; L200-L313 HydrophobicContact CD2-CD1 3.86Å; D231-L313 HydrophobicContact CB-CD1 4.36Å; D231-L313 HydrophobicContact CB-CD2 3.99Å; I232-L313 HydrophobicContact CB-CD1 4.47Å; I232-L313 HydrophobicContact CG1-CD1 3.77Å; T235-L313 HydrophobicContact CG2-CD1 4.46Å; T235-L313 HydrophobicContact CG2-CG 4.3Å; T235-L313 WeakPolarHBondContact OG1-CD2 3.45Å; S311-L313 PolarHBondContact O-N 3.43Å; L313-Q315 VanDerWaalsContact C-N 3.31Å; L313-Q315 PolarHBondContact O-N 3.42Å; L313-L316 PolarHBondContact O-N 3.38Å; L313-V317 HydrophobicContact CD1-CG2 4.13Å; L313-V317 WeakPolarHBondContact O-CB 3.5Å; L313-V317 WeakPolarHBondContact O-CG2 3.47Å; L313-V317 PolarHBondContact O-N 2.81Å |
| 314 | T | 88.7 | Confident | 69.9 | Low | 34 Ų | 34 | 81.7 Ų | 81.7 | 21% | 0.209 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -57.7 | -42.8 | 176.4 | -45.8 | 0 | 0 | 0 | 0 | 111.7 | F239 S311 V317 Q318 | F239-T314 HydrophobicContact CE2-CG2 4.42Å; F239-T314 HydrophobicContact CZ-CG2 4.38Å; S311-T314 WeakPolarHBondContact O-CA 2.82Å; S311-T314 WeakPolarHBondContact O-CB 3.32Å; S311-T314 PolarHBondContact O-N 3.17Å; S311-T314 PolarHBondContact OG-N 3.06Å; S311-T314 VanDerWaalsContact OG-N 3.12Å; S311-T314 PolarHBondContact OG-OG1 3.49Å; T314-V317 PolarHBondContact O-N 3.34Å; T314-Q318 HydrophobicContact CG2-CG 4.31Å; T314-Q318 WeakPolarHBondContact O-CB 3.04Å; T314-Q318 WeakPolarHBondContact O-CG 3Å; T314-Q318 PolarHBondContact O-N 3.37Å |
| 315 | Q | 86.9 | Confident | 72.5 | Confident | 58 Ų | 58 | 72 Ų | 72 | 27% | 0.271 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67 | -44 | 178.8 | -66.1 | 177.4 | 15.5 | 0 | 0 | 112.7 | I294 S310 S311 L312 L313 V317 S319 | I294-Q315 HydrophobicContact CD1-CB 3.93Å; I294-Q315 HydrophobicContact CG1-CB 4.41Å; I294-Q315 HydrophobicContact CG2-CB 3.92Å; I294-Q315 HydrophobicContact CG2-CG 4.44Å; S310-Q315 PolarHBondContact O-NE2 3.48Å; S310-Q315 VanDerWaalsContact OG-CG 3.27Å; S310-Q315 WeakPolarHBondContact OG-CG 3.47Å; S310-Q315 PolarHBondContact OG-NE2 3.49Å; S311-Q315 WeakPolarHBondContact O-CG 3.35Å; S311-Q315 PolarHBondContact O-N 3.37Å; L312-Q315 PolarHBondContact O-N 3.28Å; L313-Q315 VanDerWaalsContact C-N 3.31Å; L313-Q315 PolarHBondContact O-N 3.42Å; Q315-V317 VanDerWaalsContact C-N 3.27Å; Q315-V317 PolarHBondContact O-N 2.95Å; Q315-S319 WeakPolarHBondContact O-CA 3.45Å; Q315-S319 WeakPolarHBondContact O-CB 3.17Å; Q315-S319 PolarHBondContact O-N 3.48Å |
| 316 | L | 89.7 | Confident | 75 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.9 | -32.8 | 176.3 | -73.4 | 170.5 | 0 | 0 | 0 | 112.2 | K196 H199 L200 I294 L312 L313 Y320 | K196-L316 HydrophobicContact CB-CB 4.44Å; K196-L316 WeakPolarHBondContact CD-O 3.21Å; K196-L316 WeakPolarHBondContact CE-O 3.32Å; K196-L316 HydrophobicContact CG-CB 4.18Å; K196-L316 PolarHBondContact NZ-O 2.95Å; K196-L316 VanDerWaalsContact NZ-O 3.14Å; H199-L316 HydrophobicContact CB-CD1 3.78Å; H199-L316 HydrophobicContact CB-CD2 3.97Å; L200-L316 HydrophobicContact CB-CD1 4.14Å; I294-L316 HydrophobicContact CD1-CD2 4.29Å; I294-L316 HydrophobicContact CD1-CG 4.5Å; I294-L316 HydrophobicContact CG1-CD2 4.39Å; L312-L316 HydrophobicContact CD1-CD1 4.25Å; L312-L316 HydrophobicContact CD1-CG 4.14Å; L312-L316 HydrophobicContact CD2-CD1 4.34Å; L312-L316 HydrophobicContact CG-CD1 3.84Å; L312-L316 HydrophobicContact CG-CG 4.2Å; L312-L316 WeakPolarHBondContact O-CB 3.3Å; L312-L316 VanDerWaalsContact O-CG 3.25Å; L312-L316 WeakPolarHBondContact O-CG 3.36Å; L312-L316 PolarHBondContact O-N 2.97Å; L313-L316 PolarHBondContact O-N 3.38Å; L316-Y320 VanDerWaalsContact O-O 3.12Å |
| 317 | V | 91.5 | Very high | 77.6 | Confident | 5 Ų | 5 | 68.9 Ų | 68.9 | 3% | 0.03 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -78.9 | -49.1 | 178.2 | 170.6 | 0 | 0 | 0 | 0 | 111.8 | I232 T235 E236 F239 I241 L313 T314 Q315 | I232-V317 HydrophobicContact CG2-CG2 4.44Å; T235-V317 HydrophobicContact CG2-CB 4Å; T235-V317 HydrophobicContact CG2-CG1 3.98Å; T235-V317 HydrophobicContact CG2-CG2 3.85Å; E236-V317 HydrophobicContact CB-CG1 4.5Å; E236-V317 HydrophobicContact CG-CB 4.47Å; E236-V317 HydrophobicContact CG-CG1 3.77Å; E236-V317 HydrophobicContact CG-CG2 4.04Å; F239-V317 HydrophobicContact CD2-CG1 3.76Å; F239-V317 HydrophobicContact CE2-CG1 4.45Å; I241-V317 HydrophobicContact CD1-CG1 3.58Å; L313-V317 HydrophobicContact CD1-CG2 4.13Å; L313-V317 WeakPolarHBondContact O-CB 3.5Å; L313-V317 WeakPolarHBondContact O-CG2 3.47Å; L313-V317 PolarHBondContact O-N 2.81Å; T314-V317 PolarHBondContact O-N 3.34Å; Q315-V317 VanDerWaalsContact C-N 3.27Å; Q315-V317 PolarHBondContact O-N 2.95Å |
| 318 | Q | 86.9 | Confident | 79.8 | Confident | 107 Ų | 107 | 65.3 Ų | 65.3 | 50% | 0.5 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -83.8 | -27.7 | -172.8 | -66.3 | -177.4 | -26.9 | 0 | 0 | 114.8 | F239 T314 | F239-Q318 HydrophobicContact CD2-CG 4.18Å; F239-Q318 HydrophobicContact CE2-CG 4.02Å; F239-Q318 HydrophobicContact CZ-CG 4.31Å; T314-Q318 HydrophobicContact CG2-CG 4.31Å; T314-Q318 WeakPolarHBondContact O-CB 3.04Å; T314-Q318 WeakPolarHBondContact O-CG 3Å; T314-Q318 PolarHBondContact O-N 3.37Å |
| 319 | S | 83.8 | Confident | 81.9 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -119.4 | -5.6 | -169.4 | -56.8 | 0 | 0 | 0 | 0 | 114.7 | Q315 T322 | Q315-S319 WeakPolarHBondContact O-CA 3.45Å; Q315-S319 WeakPolarHBondContact O-CB 3.17Å; Q315-S319 PolarHBondContact O-N 3.48Å; S319-T322 WeakPolarHBondContact O-CG2 3.41Å |
| 320 | Y | 83.2 | Confident | 83.3 | Confident | 16 Ų | 16 | 52.5 Ų | 52.5 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -127.3 | 135.4 | -177.9 | -178.6 | -100.3 | 0 | 0 | 0 | 112.7 | F192 D195 K196 I293 L316 Q325 | F192-Y320 HydrophobicContact CB-CE1 4.38Å; F192-Y320 HydrophobicContact CD1-CE1 4.14Å; F192-Y320 AromaticContact CD1-CZ 3.82Å; F192-Y320 WeakPolarHBondContact CD1-OH 3.48Å; D195-Y320 HydrophobicContact CB-CE1 3.81Å; D195-Y320 WeakPolarHBondContact CB-OH 3.18Å; D195-Y320 PolarHBondContact OD2-OH 2.94Å; K196-Y320 WeakPolarHBondContact CE-O 3.38Å; K196-Y320 HydrophobicContact CG-CD1 3.75Å; K196-Y320 HydrophobicContact CG-CE1 4.2Å; K196-Y320 PolarHBondContact NZ-O 3.44Å; I293-Y320 HydrophobicContact CG2-CD2 3.52Å; I293-Y320 HydrophobicContact CG2-CE2 3.47Å; I293-Y320 VanDerWaalsContact CG2-CE2 3.47Å; I293-Y320 HydrophobicContact CG2-CG 4.13Å; I293-Y320 WeakPolarHBondContact O-CD2 3.37Å; L316-Y320 VanDerWaalsContact O-O 3.12Å; Y320-Q325 VanDerWaalsContact CD2-OE1 3.25Å |
| 321 | P | 84.9 | Confident | 84 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 18% | 0.175 | 28% | 0.281 | C | S | . | . | S | Bend | cis | -69.6 | 147 | -12 | 33.9 | -38.4 | 0 | 0 | 0 | 111.2 | F192 Q325 | F192-P321 HydrophobicContact CB-CG 4.28Å; F192-P321 HydrophobicContact CD1-CB 3.89Å; F192-P321 HydrophobicContact CD1-CG 4.15Å; F192-P321 HydrophobicContact CD2-CB 4.12Å; F192-P321 HydrophobicContact CD2-CG 3.58Å; F192-P321 HydrophobicContact CE1-CB 3.84Å; F192-P321 HydrophobicContact CE1-CG 4.37Å; F192-P321 HydrophobicContact CE2-CB 4.07Å; F192-P321 HydrophobicContact CE2-CG 3.83Å; F192-P321 HydrophobicContact CG-CB 4.03Å; F192-P321 HydrophobicContact CG-CG 3.75Å; F192-P321 HydrophobicContact CZ-CB 3.92Å; F192-P321 HydrophobicContact CZ-CG 4.22Å; P321-Q325 HydrophobicContact CB-CB 4.17Å |
| 322 | T | 83.9 | Confident | 83.8 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 29% | 0.288 | 27% | 0.272 | S | S | . | . | trans | -66.9 | 157.7 | 165.4 | 71 | 0 | 0 | 0 | 0 | 110.2 | S319 D324 Q325 R326 | S319-T322 WeakPolarHBondContact O-CG2 3.41Å; T322-D324 PolarHBondContact O-N 3.17Å; T322-Q325 WeakPolarHBondContact O-CB 3.36Å; T322-Q325 PolarHBondContact O-N 2.7Å; T322-Q325 VanDerWaalsContact OG1-CG 3.32Å; T322-Q325 WeakPolarHBondContact OG1-CG 3.25Å; T322-Q325 PolarHBondContact OG1-N 2.62Å; T322-Q325 VanDerWaalsContact OG1-N 3.14Å; T322-Q325 PolarHBondContact OG1-OE1 2.76Å; T322-R326 PolarHBondContact O-N 2.96Å | ||
| 323 | V | 85.1 | Confident | 83.3 | Confident | 98 Ų | 98 | 50.7 Ų | 50.7 | 59% | 0.594 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -53.9 | -37.8 | 175.2 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | K327 | V323-K327 HydrophobicContact CG1-CD 4.09Å; V323-K327 WeakPolarHBondContact O-CB 3.21Å; V323-K327 VanDerWaalsContact O-CG 3.27Å; V323-K327 WeakPolarHBondContact O-CG 3.12Å; V323-K327 PolarHBondContact O-N 2.8Å |
| 324 | D | 81.2 | Confident | 82.6 | Confident | 118 Ų | 118 | 53.6 Ų | 53.6 | 63% | 0.631 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -72.5 | -35.4 | 178 | -69.5 | -23.2 | 0 | 0 | 0 | 112.7 | T322 A328 | T322-D324 PolarHBondContact O-N 3.17Å; D324-A328 WeakPolarHBondContact O-CB 3.34Å; D324-A328 PolarHBondContact O-N 2.76Å |
| 325 | Q | 80.3 | Confident | 81.7 | Confident | 46 Ų | 46 | 57.3 Ų | 57.3 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 173.4 | -75.4 | 166 | -18.3 | 0 | 0 | 111.6 | I293 Y320 P321 T322 A328 Y329 | I293-Q325 PolarHBondContact O-NE2 3.13Å; I293-Q325 PolarHBondContact O-OE1 3.07Å; Y320-Q325 VanDerWaalsContact CD2-OE1 3.25Å; P321-Q325 HydrophobicContact CB-CB 4.17Å; T322-Q325 WeakPolarHBondContact O-CB 3.36Å; T322-Q325 PolarHBondContact O-N 2.7Å; T322-Q325 VanDerWaalsContact OG1-CG 3.32Å; T322-Q325 WeakPolarHBondContact OG1-CG 3.25Å; T322-Q325 PolarHBondContact OG1-N 2.62Å; T322-Q325 VanDerWaalsContact OG1-N 3.14Å; T322-Q325 PolarHBondContact OG1-OE1 2.76Å; Q325-A328 PolarHBondContact O-N 3.11Å; Q325-Y329 WeakPolarHBondContact O-CB 3.39Å; Q325-Y329 PolarHBondContact O-N 3.23Å |
| 326 | R | 84.2 | Confident | 81 | Confident | 77 Ų | 77 | 57 Ų | 57 | 29% | 0.291 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.2 | -49 | 174.3 | -178.3 | 177.7 | -68.8 | -89.3 | 1.5 | 111.4 | D189 F192 T322 A328 Y329 H330 | D189-R326 IonicContact OD1-CZ 3.86Å; D189-R326 IonicContact OD1-NH1 3.88Å; D189-R326 PolarHBondContact OD1-NH1 3.19Å; D189-R326 IonicContact OD1-NH2 3.28Å; D189-R326 PolarHBondContact OD1-NH2 2.83Å; D189-R326 IonicContact OD2-NH1 2.85Å; F192-R326 HydrophobicContact CE2-CB 4.3Å; F192-R326 HydrophobicContact CE2-CG 4.29Å; T322-R326 PolarHBondContact O-N 2.96Å; R326-A328 PolarHBondContact O-N 2.9Å; R326-Y329 PolarHBondContact O-N 2.85Å; R326-H330 PolarHBondContact O-N 3.41Å |
| 327 | K | 83.2 | Confident | 80.3 | Confident | 131 Ų | 131 | 58.5 Ų | 58.5 | 57% | 0.57 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.6 | -41.5 | 175.2 | -74.3 | 171.4 | -178.9 | 173.3 | 0 | 112.7 | V323 A331 | V323-K327 HydrophobicContact CG1-CD 4.09Å; V323-K327 WeakPolarHBondContact O-CB 3.21Å; V323-K327 VanDerWaalsContact O-CG 3.27Å; V323-K327 WeakPolarHBondContact O-CG 3.12Å; V323-K327 PolarHBondContact O-N 2.8Å; K327-A331 VanDerWaalsContact O-CB 3.29Å; K327-A331 WeakPolarHBondContact O-CB 3.41Å; K327-A331 PolarHBondContact O-N 2.94Å |
| 328 | A | 76.7 | Confident | 79.3 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 51% | 0.512 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.8 | -39.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D324 Q325 R326 W332 | D324-A328 WeakPolarHBondContact O-CB 3.34Å; D324-A328 PolarHBondContact O-N 2.76Å; Q325-A328 PolarHBondContact O-N 3.11Å; R326-A328 PolarHBondContact O-N 2.9Å; A328-W332 WeakPolarHBondContact O-CB 3.49Å; A328-W332 PolarHBondContact O-N 2.87Å; A328-W332 VanDerWaalsContact O-N 3.11Å |
| 329 | Y | 80.1 | Confident | 78.4 | Confident | 32 Ų | 32 | 58.5 Ų | 58.5 | 13% | 0.125 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.6 | -53.7 | 173.2 | -179 | -86.1 | 0 | 0 | 0 | 111.3 | E168 A188 V191 F192 Q325 R326 A331 W332 A333 | E168-Y329 WeakPolarHBondContact CB-OH 3.22Å; E168-Y329 WeakPolarHBondContact CG-OH 3.46Å; A188-Y329 HydrophobicContact CB-CD1 3.5Å; A188-Y329 HydrophobicContact CB-CE1 3.38Å; V191-Y329 HydrophobicContact CG1-CD2 4.49Å; V191-Y329 HydrophobicContact CG1-CE2 3.72Å; F192-Y329 HydrophobicContact CZ-CD1 4.36Å; F192-Y329 HydrophobicContact CZ-CD2 4.36Å; F192-Y329 AromaticContact CZ-CG 3.89Å; F192-Y329 HydrophobicContact CZ-CG 3.89Å; Q325-Y329 WeakPolarHBondContact O-CB 3.39Å; Q325-Y329 PolarHBondContact O-N 3.23Å; R326-Y329 PolarHBondContact O-N 2.85Å; Y329-A331 PolarHBondContact O-N 3.15Å; Y329-W332 AromaticContact CD2-CE3 3.94Å; Y329-W332 HydrophobicContact CD2-CE3 3.94Å; Y329-W332 AromaticContact CD2-CZ3 3.99Å; Y329-W332 HydrophobicContact CD2-CZ3 3.99Å; Y329-W332 AromaticContact CE2-CE3 3.92Å; Y329-W332 HydrophobicContact CE2-CE3 3.92Å; Y329-W332 AromaticContact CE2-CZ3 3.48Å; Y329-W332 HydrophobicContact CE2-CZ3 3.48Å; Y329-W332 VanDerWaalsContact CE2-CZ3 3.48Å; Y329-W332 HydrophobicContact CG-CE3 4.38Å; Y329-W332 AromaticContact CZ-CZ3 3.8Å; Y329-W332 CarbonylContact O-C 3.55Å; Y329-W332 WeakPolarHBondContact O-CA 3.27Å; Y329-W332 WeakPolarHBondContact O-CB 3.08Å; Y329-W332 PolarHBondContact O-N 3.3Å; Y329-A333 HydrophobicContact CE1-CB 4.33Å; Y329-A333 PolarHBondContact O-N 3.07Å |
| 330 | H | 78.9 | Confident | 77.6 | Confident | 42 Ų | 42 | 56.5 Ų | 56.5 | 19% | 0.194 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.3 | -53.2 | -179.3 | -169.4 | -85.3 | 0 | 0 | 0 | 111.7 | D185 R326 W332 A333 E334 | D185-H330 IonicContact OD1-CD2 3.55Å; D185-H330 PolarHBondContact OD1-CD2 3.47Å; D185-H330 VanDerWaalsContact OD1-CD2 3.28Å; D185-H330 IonicContact OD2-CD2 3.15Å; D185-H330 IonicContact OD2-NE2 3.21Å; R326-H330 PolarHBondContact O-N 3.41Å; H330-W332 PolarHBondContact O-N 3.08Å; H330-W332 VanDerWaalsContact O-N 3.13Å; H330-A333 PolarHBondContact O-N 3.09Å; H330-E334 IonicContact CE1-OE1 3.5Å; H330-E334 PolarHBondContact CE1-OE1 3.06Å; H330-E334 IonicContact CE1-OE2 3.41Å; H330-E334 PolarHBondContact CE1-OE2 3.04Å; H330-E334 IonicContact ND1-OE1 2.83Å; H330-E334 IonicContact ND1-OE2 2.68Å; H330-E334 PolarHBondContact ND1-OE2 3.27Å; H330-E334 WeakPolarHBondContact O-CG 3.47Å; H330-E334 PolarHBondContact O-N 2.98Å |
| 331 | A | 76.2 | Confident | 76.9 | Confident | 31 Ų | 31 | 58.3 Ų | 58.3 | 26% | 0.256 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.2 | -24.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K327 Y329 R335 | K327-A331 VanDerWaalsContact O-CB 3.29Å; K327-A331 WeakPolarHBondContact O-CB 3.41Å; K327-A331 PolarHBondContact O-N 2.94Å; Y329-A331 PolarHBondContact O-N 3.15Å; A331-R335 WeakPolarHBondContact O-CB 3.39Å; A331-R335 WeakPolarHBondContact O-CG 3.4Å; A331-R335 PolarHBondContact O-N 2.83Å; A331-R335 PolarHBondContact O-NE 2.67Å; A331-R335 PolarHBondContact O-NH1 2.68Å; A331-R335 PolarHBondContact O-NH2 3.44Å |
| 332 | W | 77.9 | Confident | 75.7 | Confident | 56 Ų | 56 | 62.1 Ų | 62.1 | 21% | 0.212 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -76.5 | -41.6 | 172.3 | 161.2 | 87.4 | 0 | 0 | 0 | 112.2 | L157 I169 A328 Y329 H330 R335 K336 | L157-W332 HydrophobicContact CB-CH2 4.01Å; L157-W332 HydrophobicContact CB-CZ2 3.56Å; L157-W332 HydrophobicContact CD1-CH2 3.46Å; L157-W332 VanDerWaalsContact CD1-CH2 3.46Å; L157-W332 HydrophobicContact CD1-CZ2 3.41Å; L157-W332 VanDerWaalsContact CD1-CZ2 3.41Å; L157-W332 HydrophobicContact CD2-CZ2 3.91Å; L157-W332 HydrophobicContact CG-CH2 4.22Å; L157-W332 HydrophobicContact CG-CZ2 3.76Å; I169-W332 HydrophobicContact CD1-CH2 3.8Å; I169-W332 HydrophobicContact CD1-CZ2 4.41Å; I169-W332 HydrophobicContact CD1-CZ3 3.9Å; I169-W332 HydrophobicContact CG1-CH2 3.9Å; I169-W332 HydrophobicContact CG1-CZ2 4.39Å; I169-W332 HydrophobicContact CG1-CZ3 4.49Å; A328-W332 WeakPolarHBondContact O-CB 3.49Å; A328-W332 PolarHBondContact O-N 2.87Å; A328-W332 VanDerWaalsContact O-N 3.11Å; Y329-W332 AromaticContact CD2-CE3 3.94Å; Y329-W332 HydrophobicContact CD2-CE3 3.94Å; Y329-W332 AromaticContact CD2-CZ3 3.99Å; Y329-W332 HydrophobicContact CD2-CZ3 3.99Å; Y329-W332 AromaticContact CE2-CE3 3.92Å; Y329-W332 HydrophobicContact CE2-CE3 3.92Å; Y329-W332 AromaticContact CE2-CZ3 3.48Å; Y329-W332 HydrophobicContact CE2-CZ3 3.48Å; Y329-W332 VanDerWaalsContact CE2-CZ3 3.48Å; Y329-W332 HydrophobicContact CG-CE3 4.38Å; Y329-W332 AromaticContact CZ-CZ3 3.8Å; Y329-W332 CarbonylContact O-C 3.55Å; Y329-W332 WeakPolarHBondContact O-CA 3.27Å; Y329-W332 WeakPolarHBondContact O-CB 3.08Å; Y329-W332 PolarHBondContact O-N 3.3Å; H330-W332 PolarHBondContact O-N 3.08Å; H330-W332 VanDerWaalsContact O-N 3.13Å; W332-R335 VanDerWaalsContact CA-NH2 3.31Å; W332-K336 HydrophobicContact CZ2-CG 4.38Å; W332-K336 WeakPolarHBondContact O-CB 3.5Å; W332-K336 WeakPolarHBondContact O-CG 3.4Å; W332-K336 PolarHBondContact O-N 3.49Å; W332-K336 VanDerWaalsContact O-N 3.09Å |
| 333 | A | 75.7 | Confident | 74.1 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.7 | -48.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | I169 Y329 H330 R335 K336 L337 | I169-A333 HydrophobicContact CD1-CB 3.7Å; Y329-A333 HydrophobicContact CE1-CB 4.33Å; Y329-A333 PolarHBondContact O-N 3.07Å; H330-A333 PolarHBondContact O-N 3.09Å; A333-R335 PolarHBondContact O-N 3.31Å; A333-K336 CarbonylContact O-C 3.6Å; A333-K336 WeakPolarHBondContact O-CB 3.08Å; A333-K336 PolarHBondContact O-N 3.39Å; A333-L337 WeakPolarHBondContact O-CG 3.38Å; A333-L337 PolarHBondContact O-N 3.02Å |
| 334 | E | 76.6 | Confident | 72.3 | Confident | 85 Ų | 85 | 67.7 Ų | 67.7 | 40% | 0.397 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -54.1 | -54.5 | 173.4 | -70.7 | 175.6 | 118.9 | 0 | 0 | 111.5 | H330 K336 L337 D338 | H330-E334 IonicContact CE1-OE1 3.5Å; H330-E334 PolarHBondContact CE1-OE1 3.06Å; H330-E334 IonicContact CE1-OE2 3.41Å; H330-E334 PolarHBondContact CE1-OE2 3.04Å; H330-E334 IonicContact ND1-OE1 2.83Å; H330-E334 IonicContact ND1-OE2 2.68Å; H330-E334 PolarHBondContact ND1-OE2 3.27Å; H330-E334 WeakPolarHBondContact O-CG 3.47Å; H330-E334 PolarHBondContact O-N 2.98Å; E334-K336 PolarHBondContact O-N 3.45Å; E334-L337 PolarHBondContact O-N 3.42Å; E334-L337 VanDerWaalsContact O-N 3.14Å; E334-D338 WeakPolarHBondContact O-CB 3.39Å; E334-D338 PolarHBondContact O-N 2.85Å |
| 335 | R | 69.8 | Low | 70.7 | Confident | 113 Ų | 113 | 69.9 Ų | 69.9 | 43% | 0.426 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.9 | -26.9 | 178 | -77.4 | -172.3 | -52.7 | -91.6 | -3.5 | 113.4 | A331 W332 A333 A339 | A331-R335 WeakPolarHBondContact O-CB 3.39Å; A331-R335 WeakPolarHBondContact O-CG 3.4Å; A331-R335 PolarHBondContact O-N 2.83Å; A331-R335 PolarHBondContact O-NE 2.67Å; A331-R335 PolarHBondContact O-NH1 2.68Å; A331-R335 PolarHBondContact O-NH2 3.44Å; W332-R335 VanDerWaalsContact CA-NH2 3.31Å; A333-R335 PolarHBondContact O-N 3.31Å; R335-A339 WeakPolarHBondContact O-CB 3.26Å; R335-A339 PolarHBondContact O-N 3.18Å; R335-A339 VanDerWaalsContact O-N 3.13Å |
| 336 | K | 71.2 | Confident | 69.1 | Low | 52 Ų | 52 | 69.9 Ų | 69.9 | 23% | 0.226 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -83.3 | -41.6 | 178.1 | -83.6 | -70.2 | -166 | 158.5 | 0 | 111.8 | L157 I169 W332 A333 E334 A339 L340 | L157-K336 HydrophobicContact CD2-CD 4.24Å; I169-K336 HydrophobicContact CD1-CB 4Å; I169-K336 HydrophobicContact CG1-CB 4.23Å; I169-K336 HydrophobicContact CG2-CB 3.99Å; W332-K336 HydrophobicContact CZ2-CG 4.38Å; W332-K336 WeakPolarHBondContact O-CB 3.5Å; W332-K336 WeakPolarHBondContact O-CG 3.4Å; W332-K336 PolarHBondContact O-N 3.49Å; W332-K336 VanDerWaalsContact O-N 3.09Å; A333-K336 CarbonylContact O-C 3.6Å; A333-K336 WeakPolarHBondContact O-CB 3.08Å; A333-K336 PolarHBondContact O-N 3.39Å; E334-K336 PolarHBondContact O-N 3.45Å; K336-A339 PolarHBondContact O-N 3.5Å; K336-L340 VanDerWaalsContact O-CG 3.31Å; K336-L340 WeakPolarHBondContact O-CG 3.32Å; K336-L340 PolarHBondContact O-N 2.71Å; K336-L340 VanDerWaalsContact O-N 3.08Å |
| 337 | L | 74.6 | Confident | 67.5 | Low | 30 Ų | 30 | 67.2 Ų | 67.2 | 16% | 0.157 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.9 | -52.3 | 170.1 | -70 | 169.3 | 0 | 0 | 0 | 109.8 | I169 P184 A333 E334 A339 L340 E341 | I169-L337 HydrophobicContact CG2-CD2 3.74Å; I169-L337 HydrophobicContact CG2-CG 4.07Å; P184-L337 HydrophobicContact CG-CD1 4.22Å; A333-L337 WeakPolarHBondContact O-CG 3.38Å; A333-L337 PolarHBondContact O-N 3.02Å; E334-L337 PolarHBondContact O-N 3.42Å; E334-L337 VanDerWaalsContact O-N 3.14Å; L337-A339 VanDerWaalsContact C-N 3.32Å; L337-A339 PolarHBondContact O-N 3.34Å; L337-L340 CarbonylContact O-C 3.57Å; L337-L340 PolarHBondContact O-N 2.88Å; L337-E341 WeakPolarHBondContact O-CB 3.43Å; L337-E341 WeakPolarHBondContact O-CG 3.15Å; L337-E341 PolarHBondContact O-N 2.95Å |
| 338 | D | 71.9 | Confident | 66.4 | Low | 74 Ų | 74 | 64.8 Ų | 64.8 | 40% | 0.396 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.4 | -37.2 | 175.3 | -80.8 | -32.8 | 0 | 0 | 0 | 113.9 | E334 L340 N342 N343 | E334-D338 WeakPolarHBondContact O-CB 3.39Å; E334-D338 PolarHBondContact O-N 2.85Å; D338-L340 VanDerWaalsContact C-N 3.29Å; D338-N342 WeakPolarHBondContact O-CA 3.29Å; D338-N342 PolarHBondContact O-N 3.42Å; D338-N342 PolarHBondContact OD1-ND2 3Å; D338-N342 VanDerWaalsContact OD1-ND2 3.07Å; D338-N343 PolarHBondContact O-N 2.93Å; D338-N343 PolarHBondContact O-ND2 3.45Å |
| 339 | A | 66.4 | Low | 65.9 | Low | 39 Ų | 39 | 64.7 Ų | 64.7 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.5 | -29 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R335 K336 L337 | R335-A339 WeakPolarHBondContact O-CB 3.26Å; R335-A339 PolarHBondContact O-N 3.18Å; R335-A339 VanDerWaalsContact O-N 3.13Å; K336-A339 PolarHBondContact O-N 3.5Å; L337-A339 VanDerWaalsContact C-N 3.32Å; L337-A339 PolarHBondContact O-N 3.34Å |
| 340 | L | 68.1 | Low | 65.4 | Low | 9 Ų | 9 | 64.3 Ų | 64.3 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -82.2 | -55.2 | 174.1 | -68.7 | 165.5 | 0 | 0 | 0 | 110.7 | A154 I169 K336 L337 D338 A529 R545 | A154-L340 HydrophobicContact CB-CD1 4.23Å; I169-L340 HydrophobicContact CG2-CD1 3.58Å; K336-L340 VanDerWaalsContact O-CG 3.31Å; K336-L340 WeakPolarHBondContact O-CG 3.32Å; K336-L340 PolarHBondContact O-N 2.71Å; K336-L340 VanDerWaalsContact O-N 3.08Å; L337-L340 CarbonylContact O-C 3.57Å; L337-L340 PolarHBondContact O-N 2.88Å; D338-L340 VanDerWaalsContact C-N 3.29Å; L340-A529 HydrophobicContact CB-CB 4.44Å; L340-A529 HydrophobicContact CD1-CB 4.17Å; L340-A529 HydrophobicContact CD2-CB 4.42Å; L340-R545 VanDerWaalsContact C-CZ 3.42Å; L340-R545 PolarHBondContact O-NE 3.36Å; L340-R545 PolarHBondContact O-NH1 2.78Å; L340-R545 PolarHBondContact O-NH2 3.04Å |
| 341 | E | 67.8 | Low | 65 | Low | 54 Ų | 54 | 65.7 Ų | 65.7 | 25% | 0.252 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.4 | -53.7 | -175 | -64.3 | -165.7 | 165.6 | 0 | 0 | 112.6 | K171 L337 | K171-E341 IonicContact NZ-OE1 2.75Å; K171-E341 PolarHBondContact NZ-OE1 3.29Å; K171-E341 IonicContact NZ-OE2 3.48Å; K171-E341 PolarHBondContact NZ-OE2 3.42Å; L337-E341 WeakPolarHBondContact O-CB 3.43Å; L337-E341 WeakPolarHBondContact O-CG 3.15Å; L337-E341 PolarHBondContact O-N 2.95Å |
| 342 | N | 60 | Low | 64.5 | Low | 108 Ų | 108 | 64.3 Ų | 64.3 | 58% | 0.578 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | -18.3 | -159.4 | -64.6 | -45.4 | 0 | 0 | 0 | 115.6 | D338 E344 | D338-N342 WeakPolarHBondContact O-CA 3.29Å; D338-N342 PolarHBondContact O-N 3.42Å; D338-N342 PolarHBondContact OD1-ND2 3Å; D338-N342 VanDerWaalsContact OD1-ND2 3.07Å; N342-E344 PolarHBondContact O-N 2.92Å |
| 343 | N | 50.9 | Low | 63.8 | Low | 86 Ų | 86 | 68 Ų | 68 | 46% | 0.46 | 34% | 0.343 | S | S | . | . | trans | -96.9 | 93.8 | -170.3 | -78.7 | -81.5 | 0 | 0 | 0 | 115.7 | D338 S346 | D338-N343 PolarHBondContact O-N 2.93Å; D338-N343 PolarHBondContact O-ND2 3.45Å; N343-S346 PolarHBondContact O-OG 2.92Å | ||
| 344 | E | 47.2 | Very low | 63 | Low | 176 Ų | 176 | 72.9 Ų | 72.9 | 82% | 0.822 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 15.1 | 125.1 | 142 | -59.3 | -175.8 | 161.2 | 0 | 0 | 118.6 | N342 S346 | N342-E344 PolarHBondContact O-N 2.92Å; E344-S346 PolarHBondContact O-N 2.95Å |
| 345 | K | 48 | Very low | 61.8 | Low | 164 Ų | 164 | 70.8 Ų | 70.8 | 71% | 0.713 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | -18.2 | 171.7 | -61.8 | -163.5 | 176.6 | -161.1 | 0 | 118.7 | ||
| 346 | S | 45.7 | Very low | 60.7 | Low | 45 Ų | 45 | 72.2 Ų | 72.2 | 32% | 0.315 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -36.2 | -173.9 | 72.3 | 0 | 0 | 0 | 0 | 114.4 | V152 N343 E344 | V152-S346 WeakPolarHBondContact CG2-O 3.31Å; V152-S346 PolarHBondContact N-O 3.28Å; N343-S346 PolarHBondContact O-OG 2.92Å; E344-S346 PolarHBondContact O-N 2.95Å |
| 347 | S | 49.7 | Very low | 59.7 | Low | 22 Ų | 22 | 71.7 Ų | 71.7 | 15% | 0.154 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -80.4 | -19.7 | 174.4 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | A151 | A151-S347 VanDerWaalsContact CB-O 3.24Å; A151-S347 WeakPolarHBondContact CB-O 3.31Å |
| 348 | L | 60.3 | Low | 58.5 | Low | 79 Ų | 79 | 72.6 Ų | 72.6 | 41% | 0.414 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -68.5 | 145.6 | 173.2 | -72.5 | 172.5 | 0 | 0 | 0 | 111.5 | L106 S350 | L106-L348 HydrophobicContact CD1-CD1 4.04Å; L106-L348 HydrophobicContact CD1-CD2 4.14Å; L348-S350 PolarHBondContact O-N 3Å; L348-S350 PolarHBondContact O-OG 3.24Å |
| 349 | P | 66.2 | Low | 57.6 | Low | 61 Ų | 61 | 74.9 Ų | 74.9 | 40% | 0.396 | 40% | 0.4 | S | S | . | . | trans | -46.4 | 113.2 | 171.3 | -31.4 | 37 | 0 | 0 | 0 | 113 | P149 T365 | P149-P349 HydrophobicContact CB-CB 4.14Å; P349-T365 HydrophobicContact CB-CG2 4.43Å; P349-T365 WeakPolarHBondContact CB-OG1 3.32Å; P349-T365 HydrophobicContact CG-CG2 4.15Å | ||
| 350 | S | 69.4 | Low | 57.4 | Low | 23 Ų | 23 | 74.5 Ų | 74.5 | 16% | 0.161 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 144.6 | -176.8 | 54 | 0 | 0 | 0 | 0 | 111.3 | T150 L348 A352 R362 | T150-S350 PolarHBondContact N-O 2.79Å; T150-S350 PolarHBondContact O-N 2.98Å; T150-S350 PolarHBondContact O-OG 3.34Å; T150-S350 VanDerWaalsContact O-OG 3.05Å; T150-S350 PolarHBondContact OG1-O 3.25Å; L348-S350 PolarHBondContact O-N 3Å; L348-S350 PolarHBondContact O-OG 3.24Å; S350-A352 PolarHBondContact O-N 2.81Å; S350-R362 PolarHBondContact O-NH1 3.33Å; S350-R362 PolarHBondContact OG-NH1 3.3Å; S350-R362 PolarHBondContact OG-NH2 3.02Å |
| 351 | I | 72.4 | Confident | 57.6 | Low | 72 Ų | 72 | 74 Ų | 74 | 37% | 0.369 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 130.8 | 171.4 | -61.6 | 168.7 | 0 | 0 | 0 | 108 | R144 R147 K353 | R144-I351 HydrophobicContact CG-CG2 4.42Å; R147-I351 HydrophobicContact CB-CD1 3.8Å; R147-I351 HydrophobicContact CB-CG1 4.05Å; R147-I351 HydrophobicContact CG-CD1 3.91Å; I351-K353 PolarHBondContact O-N 2.85Å |
| 352 | A | 65.4 | Low | 58.1 | Low | 2 Ų | 2 | 72 Ų | 72 | 2% | 0.017 | 38% | 0.379 | C | S | . | . | trans | -51.6 | 108.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A143 R144 T150 S350 | A143-A352 HydrophobicContact CB-CB 4.41Å; R144-A352 HydrophobicContact CB-CB 4.34Å; R144-A352 WeakPolarHBondContact CB-O 3.42Å; R144-A352 VanDerWaalsContact CD-O 3.31Å; R144-A352 WeakPolarHBondContact CD-O 3.12Å; R144-A352 WeakPolarHBondContact CG-O 3.35Å; T150-A352 PolarHBondContact OG1-N 2.83Å; S350-A352 PolarHBondContact O-N 2.81Å | ||
| 353 | K | 62.3 | Low | 59.2 | Low | 134 Ų | 134 | 66.9 Ų | 66.9 | 58% | 0.583 | 35% | 0.352 | S | S | * | . | trans | -87.4 | 147.3 | 173.8 | -67 | 177.1 | -175.1 | 172.8 | 0 | 108.6 | Q134 I351 V355 | Q134-K353 PolarHBondContact OE1-O 2.87Å; I351-K353 PolarHBondContact O-N 2.85Å; K353-V355 PolarHBondContact O-N 3.12Å; K353-V355 VanDerWaalsContact O-N 3.13Å | ||
| 354 | I | 58.6 | Low | 60.9 | Low | 102 Ų | 102 | 62.9 Ų | 62.9 | 52% | 0.523 | 33% | 0.33 | S | S | . | . | trans | -70.8 | 108.5 | 167.7 | -60.6 | 172.6 | 0 | 0 | 0 | 106.5 | A135 | A135-I354 HydrophobicContact CB-CG2 4.43Š| ||
| 355 | V | 52.9 | Low | 62.7 | Low | 42 Ų | 42 | 55.1 Ų | 55.1 | 26% | 0.255 | 30% | 0.295 | S | S | . | . | trans | -98 | 146.4 | 167.7 | -71.4 | 0 | 0 | 0 | 0 | 110.4 | Q134 K353 V357 E360 | Q134-V355 VanDerWaalsContact CD-CG2 3.49Å; K353-V355 PolarHBondContact O-N 3.12Å; K353-V355 VanDerWaalsContact O-N 3.13Å; V355-V357 HydrophobicContact CB-CG2 3.93Å; V355-V357 HydrophobicContact CG2-CG2 3.59Å; V355-V357 PolarHBondContact O-N 3.16Å; V355-E360 HydrophobicContact CG2-CB 4.12Å; V355-E360 HydrophobicContact CG2-CG 4.49Å | ||
| 356 | C | 46.8 | Very low | 64.5 | Low | 143 Ų | 143 | 48.9 Ų | 48.9 | 97% | 0.966 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -75.7 | 4.2 | -179.8 | -68.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 357 | V | 48.6 | Very low | 66.7 | Low | 40 Ų | 40 | 51 Ų | 51 | 24% | 0.242 | 27% | 0.273 | C | S | . | . | trans | -97.3 | 121 | 178.3 | -67 | 0 | 0 | 0 | 0 | 110.2 | V355 W359 E360 | V355-V357 HydrophobicContact CB-CG2 3.93Å; V355-V357 HydrophobicContact CG2-CG2 3.59Å; V355-V357 PolarHBondContact O-N 3.16Å; V357-W359 HydrophobicContact CB-CD2 3.89Å; V357-W359 HydrophobicContact CB-CE3 4.32Å; V357-W359 HydrophobicContact CB-CG 4.4Å; V357-W359 HydrophobicContact CB-CH2 4.18Å; V357-W359 HydrophobicContact CB-CZ2 3.72Å; V357-W359 HydrophobicContact CB-CZ3 4.45Å; V357-W359 HydrophobicContact CG1-CD2 4.45Å; V357-W359 HydrophobicContact CG1-CH2 3.78Å; V357-W359 HydrophobicContact CG1-CZ2 3.33Å; V357-W359 HydrophobicContact CG1-CZ3 4.49Å; V357-W359 PolarHBondContact O-N 2.91Å; V357-W359 VanDerWaalsContact O-N 3.16Å; V357-E360 HydrophobicContact CG2-CB 3.87Å | ||
| 358 | S | 49.3 | Very low | 68.6 | Low | 50 Ų | 50 | 49.9 Ų | 49.9 | 35% | 0.35 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 36.4 | -177.3 | 67.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 359 | W | 52.8 | Low | 70.1 | Confident | 121 Ų | 121 | 47 Ų | 47 | 46% | 0.458 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -152.4 | 8.3 | -172.6 | 62.4 | 72.3 | 0 | 0 | 0 | 112.6 | V357 D361 | V357-W359 HydrophobicContact CB-CD2 3.89Å; V357-W359 HydrophobicContact CB-CE3 4.32Å; V357-W359 HydrophobicContact CB-CG 4.4Å; V357-W359 HydrophobicContact CB-CH2 4.18Å; V357-W359 HydrophobicContact CB-CZ2 3.72Å; V357-W359 HydrophobicContact CB-CZ3 4.45Å; V357-W359 HydrophobicContact CG1-CD2 4.45Å; V357-W359 HydrophobicContact CG1-CH2 3.78Å; V357-W359 HydrophobicContact CG1-CZ2 3.33Å; V357-W359 HydrophobicContact CG1-CZ3 4.49Å; V357-W359 PolarHBondContact O-N 2.91Å; V357-W359 VanDerWaalsContact O-N 3.16Å; W359-D361 PolarHBondContact O-N 2.75Å |
| 360 | E | 62.4 | Low | 71.3 | Confident | 31 Ų | 31 | 45.3 Ų | 45.3 | 15% | 0.145 | 24% | 0.239 | C | C | . | . | trans | -91.2 | 99.8 | 172.8 | -177.9 | -176.9 | 125.5 | 0 | 0 | 108.4 | Q134 V152 V355 V357 R362 | Q134-E360 PolarHBondContact NE2-O 3.22Å; V152-E360 HydrophobicContact CG1-CG 4.12Å; V152-E360 HydrophobicContact CG2-CG 4.05Å; V152-E360 WeakPolarHBondContact CG2-OE1 3.15Å; V355-E360 HydrophobicContact CG2-CB 4.12Å; V355-E360 HydrophobicContact CG2-CG 4.49Å; V357-E360 HydrophobicContact CG2-CB 3.87Å; E360-R362 HydrophobicContact CG-CG 4.27Å; E360-R362 IonicContact OE1-CZ 2.66Å; E360-R362 IonicContact OE1-NE 2.67Å; E360-R362 PolarHBondContact OE1-NE 3.17Å; E360-R362 IonicContact OE1-NH2 3.28Å; E360-R362 PolarHBondContact OE1-NH2 2.78Å | ||
| 361 | D | 72 | Confident | 72.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -73.8 | 150 | 162 | -59.4 | -38.4 | 0 | 0 | 0 | 109.6 | L127 I128 G129 C130 T153 G155 D156 W164 W359 | L127-D361 WeakPolarHBondContact O-CA 3Å; I128-D361 WeakPolarHBondContact CA-OD1 3.22Å; G129-D361 PolarHBondContact N-OD1 3.47Å; C130-D361 PolarHBondContact SG-OD1 2.91Å; C130-D361 PolarHBondContact SG-OD2 2.9Å; T153-D361 HydrophobicContact CG2-CB 4.03Å; T153-D361 PolarHBondContact N-O 2.73Å; G155-D361 VanDerWaalsContact C-OD2 3.27Å; G155-D361 WeakPolarHBondContact CA-OD2 3.31Å; D156-D361 PolarHBondContact N-OD2 2.6Å; W164-D361 HydrophobicContact CH2-CB 4.5Å; W164-D361 VanDerWaalsContact CH2-CG 3.48Å; W164-D361 WeakPolarHBondContact CH2-OD1 3.34Å; W164-D361 WeakPolarHBondContact CH2-OD2 3.46Å; W164-D361 HydrophobicContact CZ3-CB 4.08Å; W164-D361 VanDerWaalsContact CZ3-CG 3.43Å; W164-D361 WeakPolarHBondContact CZ3-OD2 3.43Å; W359-D361 PolarHBondContact O-N 2.75Å | ||
| 362 | R | 78.8 | Confident | 73 | Confident | 11 Ų | 11 | 40.9 Ų | 40.9 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 129.2 | 178.3 | -69.2 | -171.6 | 147.1 | -116.8 | -15.7 | 111.5 | L127 F140 T150 A151 S350 E360 | L127-R362 HydrophobicContact CB-CB 4.43Å; L127-R362 PolarHBondContact N-O 2.88Å; L127-R362 PolarHBondContact O-N 3.48Å; F140-R362 HydrophobicContact CE1-CB 4.44Å; F140-R362 HydrophobicContact CE1-CG 4.24Å; T150-R362 PolarHBondContact O-NH1 3.24Å; T150-R362 VanDerWaalsContact O-NH1 3.11Å; T150-R362 PolarHBondContact OG1-NH1 3.48Å; A151-R362 CarbonylContact O-C 3.54Å; A151-R362 WeakPolarHBondContact O-CA 3.03Å; S350-R362 PolarHBondContact O-NH1 3.33Å; S350-R362 PolarHBondContact OG-NH1 3.3Å; S350-R362 PolarHBondContact OG-NH2 3.02Å; E360-R362 HydrophobicContact CG-CG 4.27Å; E360-R362 IonicContact OE1-CZ 2.66Å; E360-R362 IonicContact OE1-NE 2.67Å; E360-R362 PolarHBondContact OE1-NE 3.17Å; E360-R362 IonicContact OE1-NH2 3.28Å; E360-R362 PolarHBondContact OE1-NH2 2.78Å |
| 363 | L | 83.3 | Confident | 74.2 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 135.4 | 169.3 | -174.9 | 75.7 | 0 | 0 | 0 | 108.9 | N125 Y126 T150 A151 L541 L543 Y546 | N125-L363 HydrophobicContact CB-CD1 3.86Å; N125-L363 VanDerWaalsContact ND2-CD1 3.27Å; N125-L363 WeakPolarHBondContact ND2-CD1 3.48Å; Y126-L363 HydrophobicContact CD1-CB 4.35Å; Y126-L363 HydrophobicContact CD1-CD1 4.11Å; Y126-L363 HydrophobicContact CE1-CB 4.14Å; Y126-L363 HydrophobicContact CE1-CD1 3.72Å; Y126-L363 HydrophobicContact CE2-CD1 4.18Å; Y126-L363 HydrophobicContact CG-CD1 4.5Å; T150-L363 CarbonylContact C-O 3.55Å; T150-L363 WeakPolarHBondContact CA-O 3.23Å; T150-L363 WeakPolarHBondContact CB-O 3.36Å; A151-L363 PolarHBondContact N-O 2.9Å; A151-L363 PolarHBondContact O-N 2.96Å; L363-L541 HydrophobicContact CD1-CD2 4.17Å; L363-L543 HydrophobicContact CD2-CD2 4.25Å; L363-Y546 HydrophobicContact CD2-CD1 3.82Å; L363-Y546 HydrophobicContact CD2-CD2 3.54Å; L363-Y546 HydrophobicContact CD2-CE1 4.4Å; L363-Y546 HydrophobicContact CD2-CE2 4.16Å; L363-Y546 HydrophobicContact CD2-CG 3.33Å |
| 364 | V | 86.9 | Confident | 75.4 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 123.3 | 166 | 174.6 | 0 | 0 | 0 | 0 | 108.5 | N125 L127 I148 T150 F368 | N125-V364 PolarHBondContact O-N 3.5Å; L127-V364 HydrophobicContact CD1-CG2 4.48Å; L127-V364 HydrophobicContact CD2-CG2 4.49Å; L127-V364 HydrophobicContact CG-CG2 4.12Å; I148-V364 HydrophobicContact CG2-CG1 3.62Å; I148-V364 HydrophobicContact CG2-CG2 4.29Å; T150-V364 HydrophobicContact CG2-CG2 4.11Å; V364-F368 HydrophobicContact CB-CD2 3.89Å; V364-F368 HydrophobicContact CG2-CD2 3.45Å; V364-F368 VanDerWaalsContact CG2-CD2 3.45Å; V364-F368 HydrophobicContact CG2-CE2 3.86Å; V364-F368 HydrophobicContact CG2-CG 4.42Å |
| 365 | T | 86 | Confident | 76.8 | Confident | 13 Ų | 13 | 33.1 Ų | 33.1 | 8% | 0.08 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -94.3 | -19.6 | -173.3 | 60.8 | 0 | 0 | 0 | 0 | 113 | P149 A151 P349 K548 | P149-T365 WeakPolarHBondContact CB-OG1 3.43Å; P149-T365 PolarHBondContact O-N 2.88Å; P149-T365 PolarHBondContact O-OG1 2.72Å; A151-T365 HydrophobicContact CB-CG2 3.58Å; P349-T365 HydrophobicContact CB-CG2 4.43Å; P349-T365 WeakPolarHBondContact CB-OG1 3.32Å; P349-T365 HydrophobicContact CG-CG2 4.15Å; T365-K548 PolarHBondContact O-NZ 2.89Å |
| 366 | S | 85.5 | Confident | 78.7 | Confident | 33 Ų | 33 | 32.3 Ų | 32.3 | 23% | 0.231 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -84.2 | -100.8 | 169.3 | 59.4 | 0 | 0 | 0 | 0 | 110.9 | P149 K548 | P149-S366 WeakPolarHBondContact CD-OG 3.34Å; S366-K548 PolarHBondContact O-NZ 3.38Å |
| 367 | R | 90.4 | Very high | 80.6 | Confident | 89 Ų | 89 | 32.4 Ų | 32.4 | 34% | 0.336 | 16% | 0.159 | S | C | . | . | trans | -137.7 | 124.6 | -176.4 | -56.1 | -177.2 | -62.1 | -166.6 | 6.7 | 108.4 | S42 D119 S369 D370 | S42-R367 WeakPolarHBondContact OG-CB 3.3Å; D119-R367 HydrophobicContact CB-CG 3.76Å; R367-S369 PolarHBondContact O-N 3.23Å; R367-D370 IonicContact CZ-OD1 2.98Å; R367-D370 IonicContact CZ-OD2 3.94Å; R367-D370 IonicContact NE-OD1 3.99Å; R367-D370 PolarHBondContact NE-OD1 3.05Å; R367-D370 IonicContact NE-OD2 2.68Å; R367-D370 PolarHBondContact NE-OD2 3.46Å; R367-D370 VanDerWaalsContact NE-OD2 3.16Å; R367-D370 IonicContact NH2-OD1 2.76Å; R367-D370 PolarHBondContact NH2-OD1 3.27Å; R367-D370 IonicContact NH2-OD2 2.73Å; R367-D370 PolarHBondContact O-N 3.02Å | ||
| 368 | F | 91.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -66.7 | -25.1 | 175.4 | -156.3 | -86.4 | 0 | 0 | 0 | 112.1 | I40 S42 D121 A124 N125 Y126 L127 V364 D370 L371 T698 | I40-F368 HydrophobicContact CD1-CD1 4.46Å; I40-F368 HydrophobicContact CD1-CE1 4.3Å; I40-F368 HydrophobicContact CG1-CD1 4.13Å; I40-F368 HydrophobicContact CG1-CE1 4.22Å; I40-F368 HydrophobicContact CG2-CD1 3.87Å; S42-F368 PolarHBondContact OG-N 2.84Å; D121-F368 HydrophobicContact CB-CB 4.4Å; D121-F368 VanDerWaalsContact CG-N 3.31Å; D121-F368 WeakPolarHBondContact OD1-CB 3.44Å; D121-F368 PolarHBondContact OD1-N 3.26Å; D121-F368 PolarHBondContact OD2-N 3.03Å; D121-F368 VanDerWaalsContact OD2-N 3.09Å; A124-F368 HydrophobicContact CB-CD1 4.07Å; A124-F368 HydrophobicContact CB-CE1 3.82Å; A124-F368 HydrophobicContact CB-CZ 4.16Å; A124-F368 WeakPolarHBondContact O-CB 3.32Å; A124-F368 WeakPolarHBondContact O-CD1 3.1Å; A124-F368 WeakPolarHBondContact O-CG 3.47Å; N125-F368 VanDerWaalsContact C-CD2 3.47Å; N125-F368 VanDerWaalsContact CA-CD2 3.49Å; Y126-F368 WeakPolarHBondContact O-CE2 3.45Å; L127-F368 HydrophobicContact CD2-CE2 4Å; L127-F368 HydrophobicContact CD2-CZ 4.24Å; V364-F368 HydrophobicContact CB-CD2 3.89Å; V364-F368 HydrophobicContact CG2-CD2 3.45Å; V364-F368 VanDerWaalsContact CG2-CD2 3.45Å; V364-F368 HydrophobicContact CG2-CE2 3.86Å; V364-F368 HydrophobicContact CG2-CG 4.42Å; F368-D370 PolarHBondContact O-N 2.91Å; F368-L371 HydrophobicContact CD1-CD1 3.87Å; F368-L371 HydrophobicContact CD2-CD1 4.18Å; F368-L371 HydrophobicContact CE1-CD1 3.63Å; F368-L371 HydrophobicContact CE2-CD1 3.94Å; F368-L371 HydrophobicContact CG-CD1 4.15Å; F368-L371 HydrophobicContact CZ-CD1 3.67Å; F368-L371 WeakPolarHBondContact O-CB 3.24Å; F368-L371 PolarHBondContact O-N 3.5Å; F368-T698 HydrophobicContact CE1-CG2 4.04Å |
| 369 | S | 91.7 | Very high | 84.6 | Confident | 18 Ų | 18 | 34.6 Ų | 34.6 | 13% | 0.126 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -62.4 | -21.5 | 174.5 | 68.1 | 0 | 0 | 0 | 0 | 114.2 | S42 R367 L371 L372 | S42-S369 WeakPolarHBondContact OG-CB 3.41Å; S42-S369 PolarHBondContact OG-N 2.78Å; S42-S369 VanDerWaalsContact OG-N 3.13Å; S42-S369 PolarHBondContact OG-OG 3.38Å; S42-S369 VanDerWaalsContact OG-OG 3.05Å; R367-S369 PolarHBondContact O-N 3.23Å; S369-L371 PolarHBondContact O-N 3.18Å; S369-L371 VanDerWaalsContact O-N 3.1Å; S369-L372 VanDerWaalsContact O-CB 3.27Å; S369-L372 WeakPolarHBondContact O-CB 3.44Å; S369-L372 WeakPolarHBondContact O-CG 3.28Å; S369-L372 PolarHBondContact O-N 3.2Å |
| 370 | D | 90.7 | Very high | 86.7 | Confident | 25 Ų | 25 | 32.7 Ų | 32.7 | 13% | 0.134 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -62.7 | -20.5 | 177.9 | -74.3 | -38.9 | 0 | 0 | 0 | 112.9 | I148 R367 F368 L372 N373 | I148-D370 HydrophobicContact CD1-CB 3.73Å; I148-D370 HydrophobicContact CG1-CB 4.15Å; R367-D370 IonicContact CZ-OD1 2.98Å; R367-D370 IonicContact CZ-OD2 3.94Å; R367-D370 IonicContact NE-OD1 3.99Å; R367-D370 PolarHBondContact NE-OD1 3.05Å; R367-D370 IonicContact NE-OD2 2.68Å; R367-D370 PolarHBondContact NE-OD2 3.46Å; R367-D370 VanDerWaalsContact NE-OD2 3.16Å; R367-D370 IonicContact NH2-OD1 2.76Å; R367-D370 PolarHBondContact NH2-OD1 3.27Å; R367-D370 IonicContact NH2-OD2 2.73Å; R367-D370 PolarHBondContact O-N 3.02Å; F368-D370 PolarHBondContact O-N 2.91Å; D370-L372 PolarHBondContact O-N 2.95Å; D370-N373 WeakPolarHBondContact CA-ND2 3.29Å; D370-N373 PolarHBondContact O-N 3.09Å; D370-N373 PolarHBondContact O-ND2 2.97Å; D370-N373 PolarHBondContact OD1-ND2 3.39Å |
| 371 | L | 86.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -66.2 | -20.7 | 172.1 | -68.3 | 166.4 | 0 | 0 | 0 | 113.3 | L127 L142 A143 I148 F368 S369 P374 | L127-L371 HydrophobicContact CD2-CD1 4.13Å; L142-L371 HydrophobicContact CB-CD2 4.2Å; L142-L371 HydrophobicContact CD2-CB 4.38Å; L142-L371 HydrophobicContact CD2-CD2 4.01Å; L142-L371 WeakPolarHBondContact CD2-O 3.47Å; L142-L371 HydrophobicContact CG-CD2 3.92Å; A143-L371 HydrophobicContact CB-CD2 4.08Å; I148-L371 HydrophobicContact CD1-CD2 3.66Å; I148-L371 HydrophobicContact CD1-CG 3.8Å; F368-L371 HydrophobicContact CD1-CD1 3.87Å; F368-L371 HydrophobicContact CD2-CD1 4.18Å; F368-L371 HydrophobicContact CE1-CD1 3.63Å; F368-L371 HydrophobicContact CE2-CD1 3.94Å; F368-L371 HydrophobicContact CG-CD1 4.15Å; F368-L371 HydrophobicContact CZ-CD1 3.67Å; F368-L371 WeakPolarHBondContact O-CB 3.24Å; F368-L371 PolarHBondContact O-N 3.5Å; S369-L371 PolarHBondContact O-N 3.18Å; S369-L371 VanDerWaalsContact O-N 3.1Å; L371-P374 WeakPolarHBondContact O-CD 3.37Å |
| 372 | L | 91.2 | Very high | 89.5 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -29.5 | 179.7 | -58.7 | 178.8 | 0 | 0 | 0 | 112.5 | I11 L14 G37 I40 S369 D370 P374 L375 L376 | I11-L372 HydrophobicContact CB-CD2 4.29Å; I11-L372 HydrophobicContact CD1-CD2 4.41Å; I11-L372 HydrophobicContact CG1-CD2 4.14Å; L14-L372 HydrophobicContact CD1-CD2 3.88Å; G37-L372 VanDerWaalsContact CA-CD1 3.41Å; I40-L372 HydrophobicContact CB-CD1 4.32Å; I40-L372 HydrophobicContact CD1-CD2 3.8Å; I40-L372 HydrophobicContact CG2-CD1 3.94Å; I40-L372 HydrophobicContact CG2-CG 4.19Å; S369-L372 VanDerWaalsContact O-CB 3.27Å; S369-L372 WeakPolarHBondContact O-CB 3.44Å; S369-L372 WeakPolarHBondContact O-CG 3.28Å; S369-L372 PolarHBondContact O-N 3.2Å; D370-L372 PolarHBondContact O-N 2.95Å; L372-P374 VanDerWaalsContact C-CD 3.42Å; L372-P374 VanDerWaalsContact C-N 3.3Å; L372-P374 VanDerWaalsContact O-N 3.08Å; L372-L375 PolarHBondContact O-N 3.47Å; L372-L376 HydrophobicContact CB-CD1 3.97Å; L372-L376 HydrophobicContact CB-CG 4.46Å; L372-L376 PolarHBondContact O-N 2.85Å; L372-L376 VanDerWaalsContact O-N 3.13Å |
| 373 | N | 90.2 | Very high | 90.3 | Very high | 57 Ų | 57 | 37.5 Ų | 37.5 | 31% | 0.305 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -38.9 | -171.5 | -65.1 | -26.4 | 0 | 0 | 0 | 114.5 | D370 | D370-N373 WeakPolarHBondContact CA-ND2 3.29Å; D370-N373 PolarHBondContact O-N 3.09Å; D370-N373 PolarHBondContact O-ND2 2.97Å; D370-N373 PolarHBondContact OD1-ND2 3.39Å |
| 374 | P | 86.4 | Confident | 90.9 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -23.5 | 178.7 | -20 | 37.3 | 0 | 0 | 0 | 114.5 | H18 L142 L146 L371 L372 F755 | H18-P374 PolarHBondContact CE1-O 2.92Å; H18-P374 PolarHBondContact ND1-O 3.18Å; L142-P374 HydrophobicContact CD1-CG 4.1Å; L146-P374 HydrophobicContact CD1-CG 3.73Å; L146-P374 HydrophobicContact CD2-CG 3.5Å; L146-P374 VanDerWaalsContact CD2-CG 3.5Å; L146-P374 HydrophobicContact CG-CG 4.14Å; L371-P374 WeakPolarHBondContact O-CD 3.37Å; L372-P374 VanDerWaalsContact C-CD 3.42Å; L372-P374 VanDerWaalsContact C-N 3.3Å; L372-P374 VanDerWaalsContact O-N 3.08Å; P374-F755 HydrophobicContact CB-CD1 3.81Å; P374-F755 HydrophobicContact CB-CE1 4.01Å |
| 375 | L | 89.8 | Confident | 91.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -22.9 | 178.7 | -60.4 | 174.5 | 0 | 0 | 0 | 112.1 | I11 L14 H18 L372 K377 L379 L702 F755 | I11-L375 HydrophobicContact CD1-CD1 4.45Å; I11-L375 HydrophobicContact CG1-CD1 3.86Å; L14-L375 HydrophobicContact CB-CB 4.05Å; L14-L375 HydrophobicContact CB-CD1 4.33Å; H18-L375 HydrophobicContact CB-CD2 4.08Å; L372-L375 PolarHBondContact O-N 3.47Å; L375-K377 VanDerWaalsContact C-N 3.31Å; L375-L379 WeakPolarHBondContact O-CD1 3.33Å; L375-L379 WeakPolarHBondContact O-CG 3.46Å; L375-L702 HydrophobicContact CD1-CD1 4.04Å; L375-F755 HydrophobicContact CD2-CE1 3.75Å; L375-F755 HydrophobicContact CD2-CZ 4.16Å; L375-F755 HydrophobicContact CG-CE1 4.31Å |
| 376 | L | 92.2 | Very high | 91.9 | Very high | 26 Ų | 26 | 39.4 Ų | 39.4 | 14% | 0.136 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -77.9 | -14.2 | 177.9 | -70.8 | 166.3 | 0 | 0 | 0 | 113.5 | L14 P36 L372 S378 L379 I381 | L14-L376 HydrophobicContact CD1-CD2 4.09Å; L14-L376 HydrophobicContact CD1-CG 4.46Å; L14-L376 HydrophobicContact CD2-CD2 3.6Å; L14-L376 HydrophobicContact CD2-CG 4.49Å; P36-L376 HydrophobicContact CB-CD2 3.74Å; P36-L376 HydrophobicContact CG-CD1 3.92Å; P36-L376 HydrophobicContact CG-CD2 3.77Å; L372-L376 HydrophobicContact CB-CD1 3.97Å; L372-L376 HydrophobicContact CB-CG 4.46Å; L372-L376 PolarHBondContact O-N 2.85Å; L372-L376 VanDerWaalsContact O-N 3.13Å; L376-S378 PolarHBondContact O-N 2.9Å; L376-L379 PolarHBondContact O-N 3.14Å; L376-I381 HydrophobicContact CD2-CD1 3.7Å |
| 377 | K | 87.2 | Confident | 92.5 | Very high | 144 Ų | 144 | 38.2 Ų | 38.2 | 63% | 0.626 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 128.3 | -175 | -68.5 | -168 | 173.8 | -165.6 | 0 | 111.3 | L375 L379 | L375-K377 VanDerWaalsContact C-N 3.31Å; K377-L379 PolarHBondContact O-N 3.25Å |
| 378 | S | 86.4 | Confident | 92.8 | Very high | 113 Ų | 113 | 35.4 Ų | 35.4 | 79% | 0.79 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | 16.9 | 177 | -51.3 | 0 | 0 | 0 | 0 | 115.1 | L376 | L376-S378 PolarHBondContact O-N 2.9Š|
| 379 | L | 94.6 | Very high | 93.2 | Very high | 24 Ų | 24 | 38 Ų | 38 | 13% | 0.126 | 20% | 0.202 | C | C | . | . | trans | -83.3 | 135.3 | 173.1 | -65.4 | -166.5 | 0 | 0 | 0 | 111.8 | L14 A17 T21 L375 L376 K377 I381 | L14-L379 HydrophobicContact CD2-CD1 3.68Å; A17-L379 HydrophobicContact CB-CD1 3.84Å; A17-L379 HydrophobicContact CB-CD2 3.85Å; T21-L379 HydrophobicContact CG2-CD2 4.39Å; T21-L379 WeakPolarHBondContact OG1-CD2 3.35Å; L375-L379 WeakPolarHBondContact O-CD1 3.33Å; L375-L379 WeakPolarHBondContact O-CG 3.46Å; L376-L379 PolarHBondContact O-N 3.14Å; K377-L379 PolarHBondContact O-N 3.25Å; L379-I381 HydrophobicContact CB-CD1 4.07Å; L379-I381 HydrophobicContact CB-CG1 3.83Å; L379-I381 HydrophobicContact CD1-CD1 4.32Å; L379-I381 PolarHBondContact O-N 2.84Å | ||
| 380 | N | 96.6 | Very high | 93.5 | Very high | 81 Ų | 81 | 37.2 Ų | 37.2 | 43% | 0.433 | 20% | 0.196 | S | C | . | . | trans | -83.3 | 108.2 | 165.9 | -176 | 10.1 | 0 | 0 | 0 | 108.8 | V29 | V29-N380 PolarHBondContact N-O 3.06Š| ||
| 381 | I | 97.4 | Very high | 93.8 | Very high | 24 Ų | 24 | 37 Ų | 37 | 12% | 0.123 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 122.9 | -178.9 | -47.3 | -173.7 | 0 | 0 | 0 | 108.9 | A9 L14 V29 E31 L376 L379 Y383 | A9-I381 HydrophobicContact CB-CG2 4.41Å; L14-I381 HydrophobicContact CD2-CD1 3.94Å; V29-I381 HydrophobicContact CB-CB 4.34Å; V29-I381 HydrophobicContact CB-CG1 4.03Å; V29-I381 HydrophobicContact CB-CG2 4.16Å; V29-I381 HydrophobicContact CG1-CG2 4.34Å; V29-I381 HydrophobicContact CG2-CG1 4.25Å; V29-I381 WeakPolarHBondContact O-CA 3.47Å; E31-I381 HydrophobicContact CB-CG2 4.2Å; L376-I381 HydrophobicContact CD2-CD1 3.7Å; L379-I381 HydrophobicContact CB-CD1 4.07Å; L379-I381 HydrophobicContact CB-CG1 3.83Å; L379-I381 HydrophobicContact CD1-CD1 4.32Å; L379-I381 PolarHBondContact O-N 2.84Å; I381-Y383 HydrophobicContact CB-CE2 4.16Å; I381-Y383 HydrophobicContact CG2-CD1 4.03Å; I381-Y383 HydrophobicContact CG2-CD2 4.39Å; I381-Y383 HydrophobicContact CG2-CE1 3.68Å; I381-Y383 HydrophobicContact CG2-CE2 4.09Å; I381-Y383 HydrophobicContact CG2-CG 4.37Å |
| 382 | I | 96.9 | Very high | 94.1 | Very high | 44 Ų | 44 | 37 Ų | 37 | 23% | 0.226 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117.3 | 167.2 | -59.8 | 172.3 | 0 | 0 | 0 | 107.6 | L28 V29 L30 E31 A385 V435 Y459 | L28-I382 HydrophobicContact CD1-CD1 3.79Å; L28-I382 HydrophobicContact CD1-CG1 3.85Å; L28-I382 HydrophobicContact CD2-CD1 4.25Å; V29-I382 PolarHBondContact O-N 3.41Å; L30-I382 HydrophobicContact CD2-CB 4.09Å; L30-I382 HydrophobicContact CD2-CD1 4.3Å; E31-I382 PolarHBondContact N-O 3.32Å; I382-A385 HydrophobicContact CB-CB 4.43Å; I382-A385 HydrophobicContact CG2-CB 3.91Å; I382-V435 HydrophobicContact CG2-CG1 3.96Å; I382-Y459 HydrophobicContact CD1-CE1 3.7Å; I382-Y459 WeakPolarHBondContact CD1-OH 3.29Å |
| 383 | Y | 95.6 | Very high | 94.1 | Very high | 74 Ų | 74 | 37.6 Ų | 37.6 | 29% | 0.29 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 157.4 | 178.8 | -69.3 | -67.4 | 0 | 0 | 0 | 111.5 | E31 P36 I381 A385 | E31-Y383 HydrophobicContact CB-CD1 4Å; E31-Y383 HydrophobicContact CB-CE1 4.39Å; E31-Y383 HydrophobicContact CG-CD1 3.95Å; E31-Y383 HydrophobicContact CG-CE1 4.26Å; E31-Y383 CarbonylContact O-C 3.43Å; P36-Y383 HydrophobicContact CB-CE1 4.27Å; P36-Y383 HydrophobicContact CG-CE1 4.42Å; I381-Y383 HydrophobicContact CB-CE2 4.16Å; I381-Y383 HydrophobicContact CG2-CD1 4.03Å; I381-Y383 HydrophobicContact CG2-CD2 4.39Å; I381-Y383 HydrophobicContact CG2-CE1 3.68Å; I381-Y383 HydrophobicContact CG2-CE2 4.09Å; I381-Y383 HydrophobicContact CG2-CG 4.37Å; Y383-A385 PolarHBondContact O-N 3.35Å |
| 384 | N | 95.5 | Very high | 93.9 | Very high | 40 Ų | 40 | 40.2 Ų | 40.2 | 21% | 0.214 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 57.2 | 30.2 | -172.1 | -51.3 | -76.7 | 0 | 0 | 0 | 113.3 | E31 A32 R33 N34 V435 K436 | E31-N384 PolarHBondContact O-N 3.39Å; A32-N384 WeakPolarHBondContact O-CA 3.45Å; R33-N384 PolarHBondContact O-N 2.81Å; N34-N384 WeakPolarHBondContact CB-OD1 3.25Å; N34-N384 PolarHBondContact N-OD1 2.98Å; N384-V435 WeakPolarHBondContact O-CA 2.94Å; N384-K436 HydrophobicContact CB-CB 3.54Å; N384-K436 PolarHBondContact O-N 2.86Å; N384-K436 VanDerWaalsContact O-N 3.14Å |
| 385 | A | 96.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 88 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L30 E31 I382 Y383 V387 A433 K434 V435 | L30-A385 HydrophobicContact CB-CB 4.35Å; L30-A385 HydrophobicContact CD2-CB 4.22Å; E31-A385 PolarHBondContact O-N 3.47Å; I382-A385 HydrophobicContact CB-CB 4.43Å; I382-A385 HydrophobicContact CG2-CB 3.91Å; Y383-A385 PolarHBondContact O-N 3.35Å; A385-V387 PolarHBondContact O-N 2.66Å; A385-A433 HydrophobicContact CB-CB 4.4Å; A385-K434 WeakPolarHBondContact CA-O 3.35Å; A385-V435 HydrophobicContact CB-CG2 4Å |
| 386 | V | 97 | Very high | 92.2 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 9% | 0.085 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 103.6 | 176.7 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | A32 T388 A433 K434 S479 F615 | A32-V386 HydrophobicContact CB-CG2 4.17Å; V386-T388 PolarHBondContact O-N 3.14Å; V386-A433 CarbonylContact O-C 3.53Å; V386-A433 VanDerWaalsContact O-CA 3.22Å; V386-A433 WeakPolarHBondContact O-CA 3.48Å; V386-K434 PolarHBondContact N-O 3.33Å; V386-K434 PolarHBondContact O-N 3.41Å; V386-S479 WeakPolarHBondContact CG1-O 3.44Å; V386-F615 HydrophobicContact CG1-CE1 4.24Å; V386-F615 HydrophobicContact CG2-CE1 3.93Å; V386-F615 HydrophobicContact CG2-CZ 3.98Å |
| 387 | V | 98.3 | Very high | 90.9 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 132.2 | 172 | 176.4 | 0 | 0 | 0 | 0 | 109.2 | I7 L30 A385 I390 I431 K432 A433 I482 | I7-V387 HydrophobicContact CD1-CG1 4.13Å; I7-V387 HydrophobicContact CD1-CG2 4.17Å; I7-V387 HydrophobicContact CG1-CG2 4.24Å; I7-V387 HydrophobicContact CG2-CB 4.24Å; I7-V387 HydrophobicContact CG2-CG2 3.83Å; L30-V387 HydrophobicContact CB-CG2 4.12Å; L30-V387 HydrophobicContact CD1-CG2 3.66Å; A385-V387 PolarHBondContact O-N 2.66Å; V387-I390 HydrophobicContact CG1-CD1 4.41Å; V387-I390 HydrophobicContact CG1-CG1 4.04Å; V387-I431 HydrophobicContact CB-CG2 4.42Å; V387-I431 HydrophobicContact CG1-CG2 3.64Å; V387-I431 HydrophobicContact CG2-CG2 3.87Å; V387-K432 WeakPolarHBondContact CA-O 2.68Å; V387-A433 HydrophobicContact CG2-CB 4.16Å; V387-I482 HydrophobicContact CB-CD1 4.49Å; V387-I482 HydrophobicContact CG1-CD1 4.42Å; V387-I482 HydrophobicContact CG1-CG1 4.49Å; V387-I482 HydrophobicContact CG1-CG2 4.22Å |
| 388 | T | 97.4 | Very high | 89.3 | Confident | 30 Ų | 30 | 36.5 Ų | 36.5 | 18% | 0.184 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | -26.4 | -179.5 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | V386 K432 K434 T483 | V386-T388 PolarHBondContact O-N 3.14Å; T388-K432 PolarHBondContact N-O 2.96Å; T388-K432 PolarHBondContact OG1-O 2.82Å; T388-K434 HydrophobicContact CG2-CD 4.03Å; T388-K434 HydrophobicContact CG2-CG 4.15Å; T388-T483 PolarHBondContact O-N 2.93Å |
| 389 | E | 97.9 | Very high | 87.3 | Confident | 56 Ų | 56 | 35.4 Ų | 35.4 | 26% | 0.262 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 141.6 | -177.1 | -165.2 | -173.1 | 118.5 | 0 | 0 | 111.6 | I431 K432 T483 | E389-I431 WeakPolarHBondContact O-CA 3.35Å; E389-K432 HydrophobicContact CB-CB 4.05Å; E389-K432 HydrophobicContact CB-CD 4.08Å; E389-K432 HydrophobicContact CB-CG 4.17Å; E389-K432 PolarHBondContact N-O 2.94Å; E389-K432 PolarHBondContact O-N 2.66Å; E389-K432 WeakPolarHBondContact OE1-CE 3.33Å; E389-K432 IonicContact OE1-NZ 3.57Å; E389-K432 PolarHBondContact OE1-NZ 3.5Å; E389-K432 WeakPolarHBondContact OE2-CE 3.4Å; E389-K432 IonicContact OE2-NZ 3.02Å; E389-K432 PolarHBondContact OE2-NZ 2.78Å; E389-T483 CarbonylContact C-O 3.59Å; E389-T483 WeakPolarHBondContact CA-O 3.49Å |
| 390 | I | 98.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 101.4 | 172 | -58 | 174.3 | 0 | 0 | 0 | 108.6 | I7 V387 I429 I431 I466 I482 T483 F484 Y485 L681 | I7-I390 HydrophobicContact CD1-CD1 3.44Å; I7-I390 VanDerWaalsContact CD1-CD1 3.44Å; I7-I390 HydrophobicContact CD1-CG1 4.19Å; V387-I390 HydrophobicContact CG1-CD1 4.41Å; V387-I390 HydrophobicContact CG1-CG1 4.04Å; I390-I429 HydrophobicContact CG2-CG2 3.76Å; I390-I431 HydrophobicContact CG1-CG2 4.42Å; I390-I466 HydrophobicContact CD1-CD1 4.29Å; I390-I466 HydrophobicContact CD1-CG1 4.35Å; I390-I482 HydrophobicContact CD1-CG2 3.79Å; I390-I482 HydrophobicContact CG1-CG2 3.9Å; I390-T483 PolarHBondContact N-O 3.05Å; I390-F484 HydrophobicContact CB-CD1 4.15Å; I390-F484 HydrophobicContact CB-CE1 4.37Å; I390-F484 HydrophobicContact CD1-CD1 4.35Å; I390-F484 HydrophobicContact CD1-CE1 3.71Å; I390-F484 HydrophobicContact CD1-CZ 4.17Å; I390-Y485 PolarHBondContact O-N 2.91Å; I390-L681 HydrophobicContact CG2-CD2 4Å |
| 391 | D | 96.7 | Very high | 81.4 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 12% | 0.118 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 113.6 | 167.7 | 167.9 | 21.4 | 0 | 0 | 0 | 109.2 | S393 I429 V430 Y485 | D391-S393 VanDerWaalsContact OD1-CB 3.22Å; D391-S393 WeakPolarHBondContact OD1-CB 3.29Å; D391-S393 PolarHBondContact OD1-N 2.98Å; D391-S393 PolarHBondContact OD1-OG 3.47Å; D391-I429 CarbonylContact O-C 3.22Å; D391-I429 WeakPolarHBondContact O-CA 3.48Å; D391-I429 WeakPolarHBondContact O-CG2 3.38Å; D391-V430 HydrophobicContact CB-CB 4.23Å; D391-V430 PolarHBondContact N-O 3.35Å; D391-V430 PolarHBondContact O-N 3.05Å; D391-Y485 CarbonylContact C-O 3.43Å; D391-Y485 WeakPolarHBondContact CA-O 3.21Å; D391-Y485 HydrophobicContact CB-CD1 4.35Å |
| 392 | W | 95.1 | Very high | 78.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -120.2 | 11.2 | 175.7 | 67.1 | -61.7 | 0 | 0 | 0 | 111.8 | R394 A395 I429 Y485 P486 L639 T640 D643 A644 L681 | W392-R394 VanDerWaalsContact C-N 3.3Å; W392-R394 PolarHBondContact O-N 3.08Å; W392-A395 WeakPolarHBondContact O-CB 3.43Å; W392-A395 PolarHBondContact O-N 3.06Å; W392-I429 HydrophobicContact CB-CG1 4.17Å; W392-I429 HydrophobicContact CB-CG2 4.26Å; W392-Y485 PolarHBondContact N-O 2.56Å; W392-P486 HydrophobicContact CZ2-CG 4.02Å; W392-P486 PolarHBondContact NE1-O 2.76Å; W392-L639 HydrophobicContact CH2-CB 3.98Å; W392-L639 HydrophobicContact CH2-CD1 3.83Å; W392-L639 HydrophobicContact CH2-CG 4.48Å; W392-L639 HydrophobicContact CZ2-CD1 4.2Å; W392-L639 HydrophobicContact CZ3-CB 3.75Å; W392-L639 HydrophobicContact CZ3-CD1 4.34Å; W392-T640 WeakPolarHBondContact CZ3-O 3.47Å; W392-D643 HydrophobicContact CH2-CB 3.87Å; W392-D643 HydrophobicContact CZ3-CB 4.05Å; W392-A644 HydrophobicContact CD2-CB 4.16Å; W392-A644 HydrophobicContact CE3-CB 3.67Å; W392-A644 HydrophobicContact CH2-CB 4.08Å; W392-A644 HydrophobicContact CZ3-CB 3.65Å; W392-L681 HydrophobicContact CB-CD1 4.29Å; W392-L681 HydrophobicContact CB-CD2 4.21Å; W392-L681 HydrophobicContact CB-CG 4.28Å; W392-L681 HydrophobicContact CD2-CD1 3.5Å; W392-L681 HydrophobicContact CD2-CG 3.95Å; W392-L681 HydrophobicContact CE3-CD1 3.92Å; W392-L681 HydrophobicContact CE3-CG 3.95Å; W392-L681 HydrophobicContact CG-CD1 3.63Å; W392-L681 HydrophobicContact CG-CD2 4.44Å; W392-L681 HydrophobicContact CG-CG 4.07Å; W392-L681 HydrophobicContact CZ2-CD1 4.47Å | ||
| 393 | S | 91.2 | Very high | 75.2 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -54.9 | -43.1 | 179.9 | 64.7 | 0 | 0 | 0 | 0 | 112.7 | D391 A395 Y485 | D391-S393 VanDerWaalsContact OD1-CB 3.22Å; D391-S393 WeakPolarHBondContact OD1-CB 3.29Å; D391-S393 PolarHBondContact OD1-N 2.98Å; D391-S393 PolarHBondContact OD1-OG 3.47Å; S393-A395 PolarHBondContact O-N 3.44Å; S393-A395 VanDerWaalsContact O-N 3.17Å; S393-Y485 PolarHBondContact N-O 3.41Å |
| 394 | R | 85 | Confident | 72.2 | Confident | 112 Ų | 112 | 52 Ų | 52 | 42% | 0.423 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -71.4 | -6.2 | -179.3 | -56 | -177.1 | -172.6 | -148.7 | -2.6 | 113.8 | W392 G396 N397 | W392-R394 VanDerWaalsContact C-N 3.3Å; W392-R394 PolarHBondContact O-N 3.08Å; R394-G396 PolarHBondContact O-N 3.06Å; R394-N397 PolarHBondContact O-N 3.36Å |
| 395 | A | 79.3 | Confident | 69.5 | Low | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -73.7 | -11.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | W392 S393 G641 R680 | W392-A395 WeakPolarHBondContact O-CB 3.43Å; W392-A395 PolarHBondContact O-N 3.06Å; S393-A395 PolarHBondContact O-N 3.44Å; S393-A395 VanDerWaalsContact O-N 3.17Å; A395-G641 WeakPolarHBondContact O-CA 3.42Å; A395-R680 HydrophobicContact CB-CB 4.14Å; A395-R680 HydrophobicContact CB-CG 3.69Å |
| 396 | G | 62 | Low | 66.8 | Low | 3 Ų | 3 | 64 Ų | 64 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -101 | 7.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R394 G641 L676 | R394-G396 PolarHBondContact O-N 3.06Å; G396-G641 VanDerWaalsContact CA-O 3.28Å; G396-G641 WeakPolarHBondContact CA-O 3.35Å; G396-L676 VanDerWaalsContact O-CD2 3.31Å; G396-L676 WeakPolarHBondContact O-CD2 3.36Å |
| 397 | N | 65 | Low | 63.9 | Low | 81 Ų | 81 | 69.8 Ų | 69.8 | 43% | 0.433 | 38% | 0.383 | S | S | . | . | trans | -88.7 | 124 | 178.3 | -71.4 | -4.4 | 0 | 0 | 0 | 110.6 | R394 S427 | R394-N397 PolarHBondContact O-N 3.36Å; N397-S427 PolarHBondContact O-OG 3.14Å | ||
| 398 | T | 52 | Low | 61 | Low | 24 Ų | 24 | 76.9 Ų | 76.9 | 15% | 0.147 | 42% | 0.421 | C | S | . | . | trans | -128.1 | 16.4 | -178.6 | 58.3 | 0 | 0 | 0 | 0 | 112.6 | T400 E675 L676 | T398-T400 PolarHBondContact O-N 3.31Å; T398-E675 HydrophobicContact CG2-CB 3.93Å; T398-L676 HydrophobicContact CG2-CD2 3.83Å; T398-L676 HydrophobicContact CG2-CG 3.95Å | ||
| 399 | T | 44.2 | Very low | 58.3 | Low | 91 Ų | 91 | 81 Ų | 81 | 56% | 0.558 | 45% | 0.45 | S | S | * | . | trans | -77.7 | 89.3 | -176.8 | 45.7 | 0 | 0 | 0 | 0 | 111.6 | T401 H426 | T399-T401 PolarHBondContact O-N 3.38Å; T399-H426 PolarHBondContact O-CD2 2.89Å; T399-H426 PolarHBondContact O-NE2 3Å | ||
| 400 | T | 36.4 | Very low | 55.2 | Low | 121 Ų | 121 | 85.8 Ų | 85.8 | 74% | 0.742 | 48% | 0.478 | S | S | * | . | trans | -66.6 | 108.5 | 155.1 | 41.4 | 0 | 0 | 0 | 0 | 108.9 | T398 T402 | T398-T400 PolarHBondContact O-N 3.31Å; T400-T402 PolarHBondContact O-N 3.21Å | ||
| 401 | T | 32 | Very low | 52.4 | Low | 94 Ų | 94 | 93.8 Ų | 93.8 | 58% | 0.577 | 52% | 0.519 | S | S | * | . | trans | -68 | 91.9 | 168.9 | 35.2 | 0 | 0 | 0 | 0 | 110.2 | T399 N403 | T399-T401 PolarHBondContact O-N 3.38Å; T401-N403 PolarHBondContact O-N 3.43Å | ||
| 402 | T | 32.5 | Very low | 49.6 | Very low | 110 Ų | 110 | 99.1 Ų | 99.1 | 68% | 0.675 | 55% | 0.547 | S | S | * | . | trans | -73 | 107.5 | 161.1 | 46.9 | 0 | 0 | 0 | 0 | 108.6 | T400 N404 | T400-T402 PolarHBondContact O-N 3.21Å; T402-N404 VanDerWaalsContact C-N 3.28Å; T402-N404 PolarHBondContact O-N 3.06Å | ||
| 403 | N | 31.1 | Very low | 46.9 | Very low | 137 Ų | 137 | 105.7 Ų | 105.7 | 73% | 0.733 | 58% | 0.583 | S | S | * | * | trans | -66.4 | 83.9 | 173.2 | -77.9 | -9.7 | 0 | 0 | 0 | 110.9 | T401 N405 | T401-N403 PolarHBondContact O-N 3.43Å; N403-N405 VanDerWaalsContact C-N 3.35Å; N403-N405 PolarHBondContact O-N 2.98Å | ||
| 404 | N | 32.9 | Very low | 44.3 | Very low | 134 Ų | 134 | 111.8 Ų | 111.8 | 72% | 0.717 | 61% | 0.614 | S | S | * | * | trans | -89.7 | 76.5 | 162.4 | -73.4 | 4.4 | 0 | 0 | 0 | 108.6 | T402 D406 | T402-N404 VanDerWaalsContact C-N 3.28Å; T402-N404 PolarHBondContact O-N 3.06Å; N404-D406 VanDerWaalsContact C-N 3.32Å; N404-D406 PolarHBondContact O-N 3.31Å; N404-D406 VanDerWaalsContact O-N 3.15Å | ||
| 405 | N | 38.2 | Very low | 42.1 | Very low | 156 Ų | 156 | 114.6 Ų | 114.6 | 83% | 0.834 | 64% | 0.637 | S | S | * | * | trans | -79.6 | 88.1 | 164.8 | -88.3 | 0.4 | 0 | 0 | 0 | 108.5 | N403 N407 | N403-N405 VanDerWaalsContact C-N 3.35Å; N403-N405 PolarHBondContact O-N 2.98Å; N405-N407 PolarHBondContact O-N 3.49Å | ||
| 406 | D | 39.6 | Very low | 40 | Very low | 137 Ų | 137 | 121.9 Ų | 121.9 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | trans | -68.2 | 124.5 | 165.3 | -84.8 | -50.9 | 0 | 0 | 0 | 110.5 | N404 N408 | N404-D406 VanDerWaalsContact C-N 3.32Å; N404-D406 PolarHBondContact O-N 3.31Å; N404-D406 VanDerWaalsContact O-N 3.15Å; D406-N408 PolarHBondContact O-N 2.86Å | ||
| 407 | N | 36.5 | Very low | 38.8 | Very low | 136 Ų | 136 | 129 Ų | 129 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | trans | -5.9 | 108.4 | 159.1 | -53 | -68 | 0 | 0 | 0 | 117.2 | N405 | N405-N407 PolarHBondContact O-N 3.49Š| ||
| 408 | N | 37.8 | Very low | 37.3 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | 169.9 | 164.5 | 111.2 | -94.4 | -53.6 | 0 | 0 | 0 | 115 | D406 | D406-N408 PolarHBondContact O-N 2.86Š| |||
| 409 | S | 39.9 | Very low | 36.3 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 81.3 | 106.9 | 164.4 | 71.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 410 | N | 34.2 | Very low | 35.7 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -57 | 129.2 | 168.8 | -56.1 | -45.8 | 0 | 0 | 0 | 112.6 | ||||
| 411 | I | 39 | Very low | 35.5 | Very low | 168 Ų | 168 | 143.5 Ų | 143.5 | 86% | 0.862 | 78% | 0.781 | S | S | * | * | trans | -137.1 | 122 | 142.1 | -62.3 | -173.3 | 0 | 0 | 0 | 108.2 | ||||
| 412 | N | 37.9 | Very low | 35.5 | Very low | 134 Ų | 134 | 149 Ų | 149 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | trans | -84.1 | 136.3 | 173.1 | -71.7 | -28.6 | 0 | 0 | 0 | 110.4 | ||||
| 413 | N | 37.8 | Very low | 35.5 | Very low | 139 Ų | 139 | 149.1 Ų | 149.1 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | 151.1 | 126.5 | 118.8 | -80.4 | -37.6 | 0 | 0 | 0 | 112.1 | |||||
| 414 | N | 36.4 | Very low | 35.7 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | 32.8 | 100.6 | 141.4 | -56.5 | -15.1 | 0 | 0 | 0 | 118.3 | ||||
| 415 | D | 39.9 | Very low | 36.4 | Very low | 170 Ų | 170 | 147.4 Ų | 147.4 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | -152.8 | 115 | 123.3 | -98.7 | -31.2 | 0 | 0 | 0 | 110.2 | |||||
| 416 | N | 34.6 | Very low | 37.2 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | trans | -87.1 | 120.1 | 171.4 | -80.3 | -39.8 | 0 | 0 | 0 | 108.7 | ||||
| 417 | N | 36.4 | Very low | 38.7 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | 175.8 | 138.2 | 133.5 | -87.4 | -33.5 | 0 | 0 | 0 | 112.9 | ||||
| 418 | N | 33.8 | Very low | 41.1 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 86% | 0.861 | 71% | 0.706 | S | S | * | * | trans | 56.4 | 68.8 | 160.8 | -72.2 | -9.9 | 0 | 0 | 0 | 120 | ||||
| 419 | I | 31.4 | Very low | 43.8 | Very low | 141 Ų | 141 | 127 Ų | 127 | 72% | 0.723 | 67% | 0.666 | S | S | * | * | trans | -133.8 | 88 | 152.2 | -53.4 | 179.2 | 0 | 0 | 0 | 109.6 | ||||
| 420 | N | 30.4 | Very low | 46.5 | Very low | 168 Ų | 168 | 122.2 Ų | 122.2 | 90% | 0.898 | 63% | 0.633 | S | S | * | * | trans | -151.6 | 70.4 | 176.1 | -90.5 | -30.7 | 0 | 0 | 0 | 111.7 | ||||
| 421 | D | 33.9 | Very low | 49.6 | Very low | 150 Ų | 150 | 114.8 Ų | 114.8 | 80% | 0.802 | 59% | 0.593 | S | S | * | * | trans | -163.9 | 8.1 | 154.4 | -145 | 9.5 | 0 | 0 | 0 | 115.7 | N423 | D421-N423 PolarHBondContact O-N 3.17Š| ||
| 422 | Y | 31.7 | Very low | 52.4 | Low | 211 Ų | 211 | 109.1 Ų | 109.1 | 83% | 0.827 | 56% | 0.562 | S | S | * | * | trans | -84.6 | 6.8 | -162.4 | -88.8 | -74.4 | 0 | 0 | 0 | 117.3 | ||||
| 423 | N | 31.4 | Very low | 55.2 | Low | 112 Ų | 112 | 102.8 Ų | 102.8 | 60% | 0.599 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -135.9 | 99.4 | -173 | -78.6 | -42.6 | 0 | 0 | 0 | 113.4 | D421 | D421-N423 PolarHBondContact O-N 3.17Š|
| 424 | T | 37 | Very low | 58 | Low | 117 Ų | 117 | 101.1 Ų | 101.1 | 72% | 0.718 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -179.4 | -16.8 | 146.2 | 22.3 | 0 | 0 | 0 | 0 | 117.3 | H426 | T424-H426 PolarHBondContact O-N 2.96Š|
| 425 | H | 47.4 | Very low | 60.8 | Low | 117 Ų | 117 | 94.8 Ų | 94.8 | 54% | 0.542 | 48% | 0.481 | S | S | . | . | trans | -102 | 78.7 | -170.3 | -71.3 | -33.2 | 0 | 0 | 0 | 115.6 | ||||
| 426 | H | 55.2 | Low | 63.3 | Low | 76 Ų | 76 | 89.9 Ų | 89.9 | 35% | 0.352 | 45% | 0.451 | S | S | . | . | trans | -92.4 | 2.3 | -168.9 | -82.4 | 61.6 | 0 | 0 | 0 | 117.5 | T399 T424 | T399-H426 PolarHBondContact O-CD2 2.89Å; T399-H426 PolarHBondContact O-NE2 3Å; T424-H426 PolarHBondContact O-N 2.96Å | ||
| 427 | S | 70.3 | Confident | 65.5 | Low | 28 Ų | 28 | 89 Ų | 89 | 20% | 0.196 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -154.4 | 92.5 | 175.4 | -95.2 | 0 | 0 | 0 | 0 | 111.7 | N397 R680 | N397-S427 PolarHBondContact O-OG 3.14Å; S427-R680 PolarHBondContact OG-NH2 3.48Å |
| 428 | R | 86.8 | Confident | 67 | Low | 52 Ų | 52 | 90.8 Ų | 90.8 | 20% | 0.196 | 44% | 0.437 | C | S | . | . | trans | -135.6 | 149.8 | -179.2 | 70.2 | -178.6 | -168.8 | -171.3 | 2.3 | 112.1 | V430 E460 | R428-V430 HydrophobicContact CG-CG2 4.37Å; R428-E460 VanDerWaalsContact CD-OE2 3.25Å; R428-E460 WeakPolarHBondContact CD-OE2 3.37Å; R428-E460 VanDerWaalsContact CZ-CD 3.45Å; R428-E460 IonicContact CZ-OE1 3.19Å; R428-E460 IonicContact CZ-OE2 2.76Å; R428-E460 IonicContact NE-OE1 3.44Å; R428-E460 PolarHBondContact NE-OE1 2.83Å; R428-E460 IonicContact NE-OE2 2.99Å; R428-E460 IonicContact NH1-OE1 2.75Å; R428-E460 PolarHBondContact NH1-OE1 3.09Å; R428-E460 IonicContact NH1-OE2 3.77Å; R428-E460 PolarHBondContact NH1-OE2 2.98Å; R428-E460 IonicContact NH2-OE1 2.84Å; R428-E460 PolarHBondContact NH2-OE1 2.68Å | ||
| 429 | I | 94.9 | Very high | 68.1 | Low | 0 Ų | 0 | 87.9 Ų | 87.9 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 134 | 166.9 | -57.9 | 159.6 | 0 | 0 | 0 | 106.8 | I390 D391 W392 I431 E460 A461 C464 R680 L681 | I390-I429 HydrophobicContact CG2-CG2 3.76Å; D391-I429 CarbonylContact O-C 3.22Å; D391-I429 WeakPolarHBondContact O-CA 3.48Å; D391-I429 WeakPolarHBondContact O-CG2 3.38Å; W392-I429 HydrophobicContact CB-CG1 4.17Å; W392-I429 HydrophobicContact CB-CG2 4.26Å; I429-I431 HydrophobicContact CB-CD1 4.42Å; I429-I431 HydrophobicContact CG2-CD1 3.88Å; I429-I431 HydrophobicContact CG2-CG1 4.24Å; I429-E460 WeakPolarHBondContact O-CA 3.47Å; I429-A461 PolarHBondContact N-O 2.66Å; I429-A461 PolarHBondContact O-N 3.3Å; I429-C464 HydrophobicContact CD1-CB 4.03Å; I429-C464 HydrophobicContact CG2-CB 4.43Å; I429-R680 HydrophobicContact CD1-CB 4.19Å; I429-R680 WeakPolarHBondContact CD1-O 3.42Å; I429-L681 HydrophobicContact CD1-CD2 4.07Å; I429-L681 HydrophobicContact CG2-CD2 4.36Å |
| 430 | V | 96.9 | Very high | 69 | Low | 16 Ų | 16 | 88 Ų | 88 | 10% | 0.097 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125 | 177.7 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | D391 R428 I458 Y459 E460 | D391-V430 HydrophobicContact CB-CB 4.23Å; D391-V430 PolarHBondContact N-O 3.35Å; D391-V430 PolarHBondContact O-N 3.05Å; R428-V430 HydrophobicContact CG-CG2 4.37Å; V430-I458 HydrophobicContact CG1-CG2 3.44Å; V430-I458 VanDerWaalsContact CG1-CG2 3.44Å; V430-Y459 WeakPolarHBondContact CA-O 3.42Å; V430-E460 HydrophobicContact CG2-CG 4.45Å |
| 431 | I | 98.3 | Very high | 69.7 | Low | 0 Ų | 0 | 87.9 Ų | 87.9 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 120.4 | -178.5 | -56.1 | 91.3 | 0 | 0 | 0 | 108 | V5 I7 L30 V387 E389 I390 I429 Y459 A461 | V5-I431 HydrophobicContact CB-CD1 4.19Å; V5-I431 HydrophobicContact CG1-CD1 4.26Å; V5-I431 HydrophobicContact CG1-CG1 4.41Å; V5-I431 HydrophobicContact CG2-CD1 4.31Å; I7-I431 HydrophobicContact CD1-CG2 4.28Å; L30-I431 HydrophobicContact CD1-CG2 3.94Å; V387-I431 HydrophobicContact CB-CG2 4.42Å; V387-I431 HydrophobicContact CG1-CG2 3.64Å; V387-I431 HydrophobicContact CG2-CG2 3.87Å; E389-I431 WeakPolarHBondContact O-CA 3.35Å; I390-I431 HydrophobicContact CG1-CG2 4.42Å; I429-I431 HydrophobicContact CB-CD1 4.42Å; I429-I431 HydrophobicContact CG2-CD1 3.88Å; I429-I431 HydrophobicContact CG2-CG1 4.24Å; I431-Y459 PolarHBondContact N-O 3.47Å; I431-Y459 PolarHBondContact O-N 2.98Å; I431-A461 HydrophobicContact CD1-CB 4.33Å |
| 432 | K | 98 | Very high | 70.1 | Confident | 50 Ų | 50 | 86.5 Ų | 86.5 | 22% | 0.217 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 133.5 | 173 | -53.3 | -176.9 | -171 | 160.1 | 0 | 109.9 | V387 T388 E389 Q457 I458 | V387-K432 WeakPolarHBondContact CA-O 2.68Å; T388-K432 PolarHBondContact N-O 2.96Å; T388-K432 PolarHBondContact OG1-O 2.82Å; E389-K432 HydrophobicContact CB-CB 4.05Å; E389-K432 HydrophobicContact CB-CD 4.08Å; E389-K432 HydrophobicContact CB-CG 4.17Å; E389-K432 PolarHBondContact N-O 2.94Å; E389-K432 PolarHBondContact O-N 2.66Å; E389-K432 WeakPolarHBondContact OE1-CE 3.33Å; E389-K432 IonicContact OE1-NZ 3.57Å; E389-K432 PolarHBondContact OE1-NZ 3.5Å; E389-K432 WeakPolarHBondContact OE2-CE 3.4Å; E389-K432 IonicContact OE2-NZ 3.02Å; E389-K432 PolarHBondContact OE2-NZ 2.78Å; K432-Q457 WeakPolarHBondContact CA-O 2.97Å; K432-I458 HydrophobicContact CG-CG1 4.4Å |
| 433 | A | 97.5 | Very high | 70.5 | Confident | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 142 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A385 V386 V387 V435 E456 Q457 Y459 | A385-A433 HydrophobicContact CB-CB 4.4Å; V386-A433 CarbonylContact O-C 3.53Å; V386-A433 VanDerWaalsContact O-CA 3.22Å; V386-A433 WeakPolarHBondContact O-CA 3.48Å; V387-A433 HydrophobicContact CG2-CB 4.16Å; A433-V435 HydrophobicContact CB-CG2 4.34Å; A433-E456 WeakPolarHBondContact O-CA 3.36Å; A433-Q457 PolarHBondContact N-O 3.1Å; A433-Q457 PolarHBondContact O-N 3.22Å; A433-Y459 HydrophobicContact CB-CE2 4.07Å |
| 434 | K | 96.3 | Very high | 71.1 | Confident | 105 Ų | 105 | 87.5 Ų | 87.5 | 46% | 0.457 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 113.2 | 166.8 | -67.9 | 176.7 | -178 | 172.6 | 0 | 108.1 | A385 V386 T388 Y454 E455 | A385-K434 WeakPolarHBondContact CA-O 3.35Å; V386-K434 PolarHBondContact N-O 3.33Å; V386-K434 PolarHBondContact O-N 3.41Å; T388-K434 HydrophobicContact CG2-CD 4.03Å; T388-K434 HydrophobicContact CG2-CG 4.15Å; K434-Y454 HydrophobicContact CB-CD1 4.18Å; K434-E455 CarbonylContact C-O 3.45Å; K434-E455 WeakPolarHBondContact CA-O 3.09Å |
| 435 | V | 95.7 | Very high | 70.9 | Confident | 9 Ų | 9 | 85.8 Ų | 85.8 | 6% | 0.055 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.4 | -177.3 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | I382 N384 A385 A433 R437 Y454 E455 Q457 Y459 | I382-V435 HydrophobicContact CG2-CG1 3.96Å; N384-V435 WeakPolarHBondContact O-CA 2.94Å; A385-V435 HydrophobicContact CB-CG2 4Å; A433-V435 HydrophobicContact CB-CG2 4.34Å; V435-R437 PolarHBondContact O-N 3.33Å; V435-Y454 CarbonylContact O-C 3.55Å; V435-Y454 VanDerWaalsContact O-CA 3.3Å; V435-Y454 WeakPolarHBondContact O-CA 3.41Å; V435-E455 PolarHBondContact N-O 3.02Å; V435-E455 PolarHBondContact O-N 3.44Å; V435-Q457 HydrophobicContact CB-CG 4.2Å; V435-Q457 HydrophobicContact CG2-CB 3.92Å; V435-Q457 HydrophobicContact CG2-CG 3.82Å; V435-Y459 WeakPolarHBondContact CG2-OH 3.02Å |
| 436 | K | 91 | Very high | 70.6 | Confident | 67 Ų | 67 | 87.4 Ų | 87.4 | 29% | 0.291 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 124.7 | 174.9 | -176.2 | 170.3 | 176.3 | 165.9 | 0 | 109.8 | N384 K438 D452 Y454 | N384-K436 HydrophobicContact CB-CB 3.54Å; N384-K436 PolarHBondContact O-N 2.86Å; N384-K436 VanDerWaalsContact O-N 3.14Å; K436-K438 PolarHBondContact O-N 3.33Å; K436-D452 VanDerWaalsContact CE-CG 3.42Å; K436-D452 WeakPolarHBondContact CE-OD1 3.46Å; K436-D452 IonicContact NZ-OD1 3.18Å; K436-D452 PolarHBondContact NZ-OD1 3.12Å; K436-D452 IonicContact NZ-OD2 2.65Å; K436-D452 PolarHBondContact NZ-OD2 3.05Å; K436-Y454 HydrophobicContact CB-CD1 4.13Å; K436-Y454 HydrophobicContact CB-CE1 3.82Å |
| 437 | R | 81.4 | Confident | 69.7 | Low | 136 Ų | 136 | 92 Ų | 92 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 138.2 | 176 | -70.5 | -165.2 | -65.5 | -175.5 | 1.4 | 110.1 | V435 S439 S453 E455 | V435-R437 PolarHBondContact O-N 3.33Å; R437-S439 PolarHBondContact O-N 2.82Å; R437-S453 PolarHBondContact N-O 3.38Å; R437-S453 PolarHBondContact NE-OG 3.42Å; R437-S453 VanDerWaalsContact NH2-CB 3.32Å; R437-S453 PolarHBondContact NH2-OG 2.74Å; R437-E455 WeakPolarHBondContact CD-OE2 3.23Å; R437-E455 HydrophobicContact CG-CB 4.09Å; R437-E455 HydrophobicContact CG-CG 3.82Å; R437-E455 WeakPolarHBondContact CG-OE2 3.45Å |
| 438 | K | 67.5 | Low | 68.3 | Low | 191 Ų | 191 | 96.9 Ų | 96.9 | 83% | 0.83 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 127.6 | 164.4 | -70.2 | -178.1 | 178.7 | 178.4 | 0 | 107.3 | K436 D440 | K436-K438 PolarHBondContact O-N 3.33Å; K438-D440 PolarHBondContact O-N 3.36Å |
| 439 | S | 57.8 | Low | 66 | Low | 100 Ų | 100 | 100.3 Ų | 100.3 | 70% | 0.699 | 54% | 0.542 | S | S | * | . | trans | -68.3 | 110.2 | 166.9 | 52.7 | 0 | 0 | 0 | 0 | 108 | R437 L441 | R437-S439 PolarHBondContact O-N 2.82Å; S439-L441 PolarHBondContact O-N 2.89Å; S439-L441 VanDerWaalsContact O-N 3.12Å | ||
| 440 | D | 50.1 | Low | 63.6 | Low | 143 Ų | 143 | 106.5 Ų | 106.5 | 77% | 0.765 | 58% | 0.58 | S | S | * | * | trans | -58.9 | 116.6 | 165.3 | -72.3 | -37.8 | 0 | 0 | 0 | 107.8 | K438 T442 | K438-D440 PolarHBondContact O-N 3.36Å; D440-T442 PolarHBondContact O-N 2.92Å | ||
| 441 | L | 45.4 | Very low | 61.6 | Low | 165 Ų | 165 | 113.7 Ų | 113.7 | 86% | 0.864 | 62% | 0.616 | S | S | * | * | trans | -72.7 | 76.5 | -179.9 | -77.7 | 164.3 | 0 | 0 | 0 | 109.8 | S439 Q443 | S439-L441 PolarHBondContact O-N 2.89Å; S439-L441 VanDerWaalsContact O-N 3.12Å; L441-Q443 PolarHBondContact O-N 3.23Å | ||
| 442 | T | 41.2 | Very low | 59.9 | Low | 121 Ų | 121 | 118 Ų | 118 | 74% | 0.742 | 64% | 0.64 | S | S | * | * | trans | -66.2 | 119.1 | 161.7 | 46.4 | 0 | 0 | 0 | 0 | 108.3 | D440 N444 | D440-T442 PolarHBondContact O-N 2.92Å; T442-N444 VanDerWaalsContact C-N 3.31Å; T442-N444 PolarHBondContact O-N 3.1Å | ||
| 443 | Q | 40.4 | Very low | 59.1 | Low | 189 Ų | 189 | 117.9 Ų | 117.9 | 88% | 0.883 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -68.6 | 86.7 | 175.8 | -67.2 | 178 | -7.4 | 0 | 0 | 110.1 | L441 | L441-Q443 PolarHBondContact O-N 3.23Š|
| 444 | N | 43.1 | Very low | 58.6 | Low | 156 Ų | 156 | 123 Ų | 123 | 83% | 0.834 | 67% | 0.665 | S | S | * | * | trans | -161.2 | 115.6 | 157.8 | -88.6 | -36.6 | 0 | 0 | 0 | 107.7 | T442 D446 | T442-N444 VanDerWaalsContact C-N 3.31Å; T442-N444 PolarHBondContact O-N 3.1Å; N444-D446 PolarHBondContact O-N 2.98Å | ||
| 445 | G | 34.5 | Very low | 58.4 | Low | 80 Ų | 80 | 122 Ų | 122 | 83% | 0.825 | 66% | 0.662 | S | S | * | * | trans | -81.6 | 117.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 446 | D | 41.2 | Very low | 58.4 | Low | 151 Ų | 151 | 127 Ų | 127 | 81% | 0.807 | 68% | 0.684 | S | S | * | * | trans | -146.3 | 94.5 | 155.5 | -106 | -29.9 | 0 | 0 | 0 | 107.5 | N444 N448 | N444-D446 PolarHBondContact O-N 2.98Å; D446-N448 PolarHBondContact O-N 3.5Å | ||
| 447 | D | 35.2 | Very low | 58.7 | Low | 172 Ų | 172 | 126.5 Ų | 126.5 | 92% | 0.92 | 68% | 0.683 | S | S | * | * | trans | -73.6 | 89.3 | 179.7 | -89.2 | -36.9 | 0 | 0 | 0 | 110.6 | ||||
| 448 | N | 41.3 | Very low | 59.4 | Low | 132 Ų | 132 | 124.8 Ų | 124.8 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | trans | -128.5 | 95.4 | 168.9 | -91.7 | -50.3 | 0 | 0 | 0 | 111.2 | D446 T450 | D446-N448 PolarHBondContact O-N 3.5Å; N448-T450 PolarHBondContact O-N 3.21Å; N448-T450 VanDerWaalsContact O-N 3.07Å | ||
| 449 | S | 37.5 | Very low | 60.8 | Low | 124 Ų | 124 | 116.6 Ų | 116.6 | 87% | 0.867 | 65% | 0.647 | S | S | * | * | trans | 14.6 | 76 | 165.9 | 66.5 | 0 | 0 | 0 | 0 | 116.8 | L451 | S449-L451 PolarHBondContact O-N 3.11Š| ||
| 450 | T | 45.1 | Very low | 62.7 | Low | 130 Ų | 130 | 114.1 Ų | 114.1 | 80% | 0.798 | 63% | 0.625 | S | S | * | * | trans | -72.2 | 117.9 | 171 | 42.4 | 0 | 0 | 0 | 0 | 110.2 | N448 D452 | N448-T450 PolarHBondContact O-N 3.21Å; N448-T450 VanDerWaalsContact O-N 3.07Å; T450-D452 PolarHBondContact O-N 2.96Å | ||
| 451 | L | 54.8 | Low | 64.8 | Low | 166 Ų | 166 | 107.3 Ų | 107.3 | 87% | 0.869 | 59% | 0.588 | S | S | * | * | trans | -56.1 | 124.8 | 173.3 | -165.1 | 80.8 | 0 | 0 | 0 | 109.2 | S449 S453 | S449-L451 PolarHBondContact O-N 3.11Å; L451-S453 PolarHBondContact O-N 2.92Å | ||
| 452 | D | 63.6 | Low | 67.1 | Low | 92 Ų | 92 | 102 Ų | 102 | 49% | 0.492 | 56% | 0.558 | S | S | . | * | trans | -56.9 | 98.9 | -176.5 | -96.3 | -10.2 | 0 | 0 | 0 | 111.5 | K436 T450 Y454 | K436-D452 VanDerWaalsContact CE-CG 3.42Å; K436-D452 WeakPolarHBondContact CE-OD1 3.46Å; K436-D452 IonicContact NZ-OD1 3.18Å; K436-D452 PolarHBondContact NZ-OD1 3.12Å; K436-D452 IonicContact NZ-OD2 2.65Å; K436-D452 PolarHBondContact NZ-OD2 3.05Å; T450-D452 PolarHBondContact O-N 2.96Å; D452-Y454 HydrophobicContact CB-CE2 4.22Å; D452-Y454 VanDerWaalsContact O-CD2 3.31Å; D452-Y454 WeakPolarHBondContact O-CD2 3.32Å | ||
| 453 | S | 80.5 | Confident | 69.7 | Low | 46 Ų | 46 | 96.6 Ų | 96.6 | 32% | 0.322 | 53% | 0.525 | S | S | . | . | trans | -86.1 | 122.5 | -173.9 | 68 | 0 | 0 | 0 | 0 | 111.7 | R437 L451 | R437-S453 PolarHBondContact N-O 3.38Å; R437-S453 PolarHBondContact NE-OG 3.42Å; R437-S453 VanDerWaalsContact NH2-CB 3.32Å; R437-S453 PolarHBondContact NH2-OG 2.74Å; L451-S453 PolarHBondContact O-N 2.92Å | ||
| 454 | Y | 87.2 | Confident | 72.4 | Confident | 108 Ų | 108 | 87.6 Ų | 87.6 | 42% | 0.424 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 146.1 | 174.1 | -70.2 | -103.8 | 0 | 0 | 0 | 110.4 | K434 V435 K436 D452 | K434-Y454 HydrophobicContact CB-CD1 4.18Å; V435-Y454 CarbonylContact O-C 3.55Å; V435-Y454 VanDerWaalsContact O-CA 3.3Å; V435-Y454 WeakPolarHBondContact O-CA 3.41Å; K436-Y454 HydrophobicContact CB-CD1 4.13Å; K436-Y454 HydrophobicContact CB-CE1 3.82Å; D452-Y454 HydrophobicContact CB-CE2 4.22Å; D452-Y454 VanDerWaalsContact O-CD2 3.31Å; D452-Y454 WeakPolarHBondContact O-CD2 3.32Å |
| 455 | E | 92.8 | Very high | 75 | Confident | 83 Ų | 83 | 80.2 Ų | 80.2 | 39% | 0.388 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 148.2 | 170.2 | 59.5 | -176.8 | -159 | 0 | 0 | 110 | K434 V435 R437 Q457 | K434-E455 CarbonylContact C-O 3.45Å; K434-E455 WeakPolarHBondContact CA-O 3.09Å; V435-E455 PolarHBondContact N-O 3.02Å; V435-E455 PolarHBondContact O-N 3.44Å; R437-E455 WeakPolarHBondContact CD-OE2 3.23Å; R437-E455 HydrophobicContact CG-CB 4.09Å; R437-E455 HydrophobicContact CG-CG 3.82Å; R437-E455 WeakPolarHBondContact CG-OE2 3.45Å; E455-Q457 HydrophobicContact CG-CG 4.29Å; E455-Q457 PolarHBondContact OE1-NE2 2.78Å |
| 456 | E | 95.3 | Very high | 78.1 | Confident | 114 Ų | 114 | 76.4 Ų | 76.4 | 53% | 0.533 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 120.9 | 173.2 | -172.2 | 169.1 | 105.2 | 0 | 0 | 109.5 | A433 | A433-E456 WeakPolarHBondContact O-CA 3.36Å |
| 457 | Q | 96.3 | Very high | 80.8 | Confident | 57 Ų | 57 | 69.9 Ų | 69.9 | 27% | 0.266 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 147.3 | 172.8 | -62.8 | -167.9 | 11.7 | 0 | 0 | 110.4 | K432 A433 V435 E455 Y459 | K432-Q457 WeakPolarHBondContact CA-O 2.97Å; A433-Q457 PolarHBondContact N-O 3.1Å; A433-Q457 PolarHBondContact O-N 3.22Å; V435-Q457 HydrophobicContact CB-CG 4.2Å; V435-Q457 HydrophobicContact CG2-CB 3.92Å; V435-Q457 HydrophobicContact CG2-CG 3.82Å; E455-Q457 HydrophobicContact CG-CG 4.29Å; E455-Q457 PolarHBondContact OE1-NE2 2.78Å; Q457-Y459 HydrophobicContact CB-CE1 4.49Å; Q457-Y459 HydrophobicContact CB-CE2 4.16Å; Q457-Y459 PolarHBondContact OE1-OH 2.67Å |
| 458 | I | 96.8 | Very high | 83.7 | Confident | 100 Ų | 100 | 62.5 Ų | 62.5 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 128.2 | -179.8 | -56.2 | -177.8 | 0 | 0 | 0 | 109.2 | V430 K432 | V430-I458 HydrophobicContact CG1-CG2 3.44Å; V430-I458 VanDerWaalsContact CG1-CG2 3.44Å; K432-I458 HydrophobicContact CG-CG1 4.4Å |
| 459 | Y | 97.3 | Very high | 86.2 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 8% | 0.075 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 145.2 | 175.7 | -50.3 | -75.2 | 0 | 0 | 0 | 110.7 | L28 L30 I382 V430 I431 A433 V435 Q457 | L28-Y459 HydrophobicContact CD2-CD1 3.58Å; L28-Y459 HydrophobicContact CD2-CE1 3.95Å; L28-Y459 HydrophobicContact CD2-CG 3.95Å; L30-Y459 HydrophobicContact CD1-CD2 3.6Å; L30-Y459 HydrophobicContact CD1-CE2 3.83Å; L30-Y459 HydrophobicContact CD1-CG 4.47Å; L30-Y459 HydrophobicContact CD2-CD2 3.95Å; L30-Y459 HydrophobicContact CD2-CE2 3.53Å; L30-Y459 HydrophobicContact CG-CD2 4.41Å; L30-Y459 HydrophobicContact CG-CE2 4.35Å; I382-Y459 HydrophobicContact CD1-CE1 3.7Å; I382-Y459 WeakPolarHBondContact CD1-OH 3.29Å; V430-Y459 WeakPolarHBondContact CA-O 3.42Å; I431-Y459 PolarHBondContact N-O 3.47Å; I431-Y459 PolarHBondContact O-N 2.98Å; A433-Y459 HydrophobicContact CB-CE2 4.07Å; V435-Y459 WeakPolarHBondContact CG2-OH 3.02Å; Q457-Y459 HydrophobicContact CB-CE1 4.49Å; Q457-Y459 HydrophobicContact CB-CE2 4.16Å; Q457-Y459 PolarHBondContact OE1-OH 2.67Å |
| 460 | E | 96.2 | Very high | 88.9 | Confident | 48 Ų | 48 | 51.6 Ų | 51.6 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.9 | 179 | -58.1 | -167.5 | 167.8 | 0 | 0 | 111.2 | M1 F2 R428 I429 V430 | M1-E460 CarbonylContact C-O 3.54Å; M1-E460 WeakPolarHBondContact CA-O 3.26Å; M1-E460 HydrophobicContact CB-CB 4.44Å; M1-E460 HydrophobicContact CG-CB 4.34Å; F2-E460 PolarHBondContact N-O 3.15Å; R428-E460 VanDerWaalsContact CD-OE2 3.25Å; R428-E460 WeakPolarHBondContact CD-OE2 3.37Å; R428-E460 VanDerWaalsContact CZ-CD 3.45Å; R428-E460 IonicContact CZ-OE1 3.19Å; R428-E460 IonicContact CZ-OE2 2.76Å; R428-E460 IonicContact NE-OE1 3.44Å; R428-E460 PolarHBondContact NE-OE1 2.83Å; R428-E460 IonicContact NE-OE2 2.99Å; R428-E460 IonicContact NH1-OE1 2.75Å; R428-E460 PolarHBondContact NH1-OE1 3.09Å; R428-E460 IonicContact NH1-OE2 3.77Å; R428-E460 PolarHBondContact NH1-OE2 2.98Å; R428-E460 IonicContact NH2-OE1 2.84Å; R428-E460 PolarHBondContact NH2-OE1 2.68Å; I429-E460 WeakPolarHBondContact O-CA 3.47Å; V430-E460 HydrophobicContact CG2-CG 4.45Å |
| 461 | A | 95.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 157.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F2 V5 I429 I431 H463 | F2-A461 HydrophobicContact CB-CB 4.39Å; F2-A461 WeakPolarHBondContact O-CA 3.44Å; V5-A461 HydrophobicContact CB-CB 4.01Å; V5-A461 HydrophobicContact CG2-CB 3.72Å; I429-A461 PolarHBondContact N-O 2.66Å; I429-A461 PolarHBondContact O-N 3.3Å; I431-A461 HydrophobicContact CD1-CB 4.33Å; A461-H463 WeakPolarHBondContact CB-O 3.35Å |
| 462 | K | 93.4 | Very high | 93 | Very high | 54 Ų | 54 | 37.8 Ų | 37.8 | 24% | 0.235 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -32.7 | 171.8 | -58.5 | 172.7 | -176 | 163.4 | 0 | 112.4 | M1 F2 D3 R680 | M1-K462 HydrophobicContact CE-CG 4.21Å; M1-K462 HydrophobicContact SD-CG 4.26Å; F2-K462 PolarHBondContact O-N 3.03Å; D3-K462 WeakPolarHBondContact O-CB 2.99Å; D3-K462 PolarHBondContact O-N 3.38Å; D3-K462 WeakPolarHBondContact OD1-CE 3.22Å; D3-K462 IonicContact OD1-NZ 2.72Å; D3-K462 PolarHBondContact OD1-NZ 3.48Å; K462-R680 PolarHBondContact O-NH1 2.71Å; K462-R680 VanDerWaalsContact O-NH1 3.09Å |
| 463 | H | 95.2 | Very high | 94.5 | Very high | 8 Ų | 8 | 34.6 Ų | 34.6 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 152.6 | -179.7 | -47.3 | -85.5 | 0 | 0 | 0 | 110.6 | D3 V4 V5 A461 P679 R680 L682 L712 | D3-H463 PolarHBondContact O-CD2 3.34Å; D3-H463 PolarHBondContact O-N 2.86Å; V4-H463 WeakPolarHBondContact CA-O 3.47Å; V4-H463 HydrophobicContact CG2-CB 4.34Å; V5-H463 PolarHBondContact N-O 3.44Å; V5-H463 VanDerWaalsContact N-O 3.08Å; A461-H463 WeakPolarHBondContact CB-O 3.35Å; H463-P679 PolarHBondContact CE1-O 3.24Å; H463-P679 PolarHBondContact ND1-O 2.95Å; H463-R680 WeakPolarHBondContact CA-O 3.28Å; H463-L682 HydrophobicContact CB-CD1 4.46Å; H463-L712 HydrophobicContact CB-CD1 3.9Å; H463-L712 HydrophobicContact CB-CD2 4.08Å; H463-L712 WeakPolarHBondContact ND1-CD2 3.47Å |
| 464 | C | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.1 | 173.8 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | V5 I7 I429 R680 L681 L682 | V5-C464 CarbonylContact O-C 3.57Å; V5-C464 VanDerWaalsContact O-CA 3.29Å; V5-C464 WeakPolarHBondContact O-CA 3.28Å; I7-C464 VanDerWaalsContact CD1-SG 3.52Å; I429-C464 HydrophobicContact CD1-CB 4.03Å; I429-C464 HydrophobicContact CG2-CB 4.43Å; C464-R680 PolarHBondContact N-O 3.35Å; C464-L681 HydrophobicContact CB-CD2 3.84Å; C464-L682 PolarHBondContact O-N 2.97Å |
| 465 | I | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 114.3 | 171.8 | -54 | 178.3 | 0 | 0 | 0 | 108.6 | V4 V5 V6 I7 A16 L20 T467 L682 R708 L712 | V4-I465 HydrophobicContact CG1-CD1 3.96Å; V4-I465 HydrophobicContact CG1-CG1 3.85Å; V5-I465 PolarHBondContact O-N 3.1Å; V6-I465 CarbonylContact C-O 3.57Å; V6-I465 WeakPolarHBondContact CA-O 3.39Å; V6-I465 HydrophobicContact CG1-CB 4.5Å; V6-I465 HydrophobicContact CG2-CB 4.33Å; I7-I465 PolarHBondContact N-O 3.37Å; A16-I465 HydrophobicContact CB-CD1 3.96Å; L20-I465 HydrophobicContact CD1-CD1 3.82Å; I465-T467 HydrophobicContact CG2-CG2 3.82Å; I465-L682 CarbonylContact C-O 3.5Å; I465-L682 WeakPolarHBondContact CA-O 3.37Å; I465-L682 HydrophobicContact CG1-CB 4.23Å; I465-R708 HydrophobicContact CD1-CB 4.28Å; I465-R708 HydrophobicContact CG2-CB 4.15Å; I465-R708 HydrophobicContact CG2-CG 4.48Å; I465-L712 HydrophobicContact CD1-CD1 4.01Å; I465-L712 HydrophobicContact CG1-CD1 4.15Å |
| 466 | I | 98.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 119.4 | -178.4 | -60.4 | 157.2 | 0 | 0 | 0 | 108.1 | I7 I390 V468 L473 F484 L681 L682 F683 A684 | I7-I466 HydrophobicContact CD1-CG1 4.42Å; I390-I466 HydrophobicContact CD1-CD1 4.29Å; I390-I466 HydrophobicContact CD1-CG1 4.35Å; I466-V468 HydrophobicContact CG2-CG2 4Å; I466-L473 HydrophobicContact CG2-CD2 4.07Å; I466-F484 HydrophobicContact CD1-CE1 3.72Å; I466-F484 HydrophobicContact CD1-CZ 4.19Å; I466-L681 HydrophobicContact CD1-CB 4.3Å; I466-L681 HydrophobicContact CD1-CD1 4.5Å; I466-L681 HydrophobicContact CD1-CD2 4.4Å; I466-L682 PolarHBondContact N-O 2.76Å; I466-F683 HydrophobicContact CB-CD1 4.1Å; I466-F683 HydrophobicContact CB-CE1 4.23Å; I466-F683 HydrophobicContact CD1-CD1 4.23Å; I466-F683 HydrophobicContact CD1-CE1 3.57Å; I466-F683 HydrophobicContact CD1-CE2 4.4Å; I466-F683 HydrophobicContact CD1-CZ 3.67Å; I466-F683 HydrophobicContact CG2-CD1 4.21Å; I466-F683 HydrophobicContact CG2-CE1 4.23Å; I466-A684 PolarHBondContact O-N 3.35Å |
| 467 | T | 97.7 | Very high | 95.1 | Very high | 14 Ų | 14 | 23.3 Ų | 23.3 | 9% | 0.086 | 13% | 0.126 | C | C | . | . | trans | -126.9 | 14.3 | -178.4 | 78 | 0 | 0 | 0 | 0 | 114.3 | V6 I7 G8 I465 A684 | V6-T467 HydrophobicContact CG1-CG2 4.29Å; I7-T467 WeakPolarHBondContact O-CA 3.33Å; I7-T467 PolarHBondContact O-N 3.14Å; I7-T467 PolarHBondContact O-OG1 3.18Å; G8-T467 PolarHBondContact O-OG1 2.9Å; G8-T467 VanDerWaalsContact O-OG1 3.07Å; I465-T467 HydrophobicContact CG2-CG2 3.82Å; T467-A684 WeakPolarHBondContact CA-O 3.41Å; T467-A684 HydrophobicContact CG2-CB 4.13Å | ||
| 468 | V | 96.8 | Very high | 95 | Very high | 16 Ų | 16 | 26.3 Ų | 26.3 | 10% | 0.097 | 15% | 0.153 | C | C | . | . | trans | -66.9 | 152.5 | 175.9 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | I7 I466 V472 L473 I482 | I7-V468 HydrophobicContact CG2-CG1 3.66Å; I466-V468 HydrophobicContact CG2-CG2 4Å; V468-V472 HydrophobicContact CB-CB 4.27Å; V468-V472 HydrophobicContact CB-CG1 4.22Å; V468-V472 HydrophobicContact CG2-CB 4.17Å; V468-V472 HydrophobicContact CG2-CG1 4.11Å; V468-L473 HydrophobicContact CG2-CD2 3.51Å; V468-L473 HydrophobicContact CG2-CG 3.75Å; V468-I482 HydrophobicContact CG1-CD1 4.29Å; V468-I482 HydrophobicContact CG2-CD1 4.19Å | ||
| 469 | P | 94.2 | Very high | 94.7 | Very high | 21 Ų | 21 | 24.5 Ų | 24.5 | 14% | 0.136 | 15% | 0.15 | C | C | . | . | trans | -60.3 | 154.4 | 177 | -25.1 | 36.6 | 0 | 0 | 0 | 113.4 | G471 V472 L473 A616 | P469-G471 VanDerWaalsContact C-N 3.29Å; P469-G471 PolarHBondContact O-N 3.49Å; P469-V472 HydrophobicContact CB-CG2 4.36Å; P469-V472 HydrophobicContact CG-CG2 4.42Å; P469-V472 WeakPolarHBondContact O-CB 3Å; P469-V472 PolarHBondContact O-N 3.17Å; P469-L473 PolarHBondContact O-N 3.33Å; P469-A616 WeakPolarHBondContact CB-O 3.4Å | ||
| 470 | V | 92.7 | Very high | 94.6 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 4% | 0.036 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.1 | -34.5 | -177.7 | 69.4 | 0 | 0 | 0 | 0 | 113.1 | V472 L473 K474 I496 L499 T621 Y635 | V470-V472 PolarHBondContact O-N 3.39Å; V470-L473 PolarHBondContact O-N 2.89Å; V470-L473 VanDerWaalsContact O-N 3.1Å; V470-K474 PolarHBondContact O-N 3Å; V470-I496 HydrophobicContact CG2-CG2 4.07Å; V470-L499 HydrophobicContact CG2-CB 3.9Å; V470-T621 HydrophobicContact CG1-CG2 3.95Å; V470-T621 WeakPolarHBondContact CG1-OG1 3.1Å; V470-Y635 HydrophobicContact CB-CE1 4.35Å; V470-Y635 HydrophobicContact CG2-CE1 4.34Å |
| 471 | G | 91.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.9 | -28.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P469 G475 L476 L617 | P469-G471 VanDerWaalsContact C-N 3.29Å; P469-G471 PolarHBondContact O-N 3.49Å; G471-G475 PolarHBondContact O-N 3.2Å; G471-L476 PolarHBondContact O-N 3.48Å; G471-L617 WeakPolarHBondContact O-CD1 3.42Å |
| 472 | V | 95.2 | Very high | 94.7 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -73 | -40.5 | 172.3 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | V468 P469 V470 K474 G475 S480 L617 | V468-V472 HydrophobicContact CB-CB 4.27Å; V468-V472 HydrophobicContact CB-CG1 4.22Å; V468-V472 HydrophobicContact CG2-CB 4.17Å; V468-V472 HydrophobicContact CG2-CG1 4.11Å; P469-V472 HydrophobicContact CB-CG2 4.36Å; P469-V472 HydrophobicContact CG-CG2 4.42Å; P469-V472 WeakPolarHBondContact O-CB 3Å; P469-V472 PolarHBondContact O-N 3.17Å; V470-V472 PolarHBondContact O-N 3.39Å; V472-K474 VanDerWaalsContact C-N 3.32Å; V472-K474 PolarHBondContact O-N 3.06Å; V472-G475 PolarHBondContact O-N 3.48Å; V472-S480 VanDerWaalsContact CG1-O 3.29Å; V472-S480 WeakPolarHBondContact CG1-O 3.24Å; V472-L617 HydrophobicContact CG2-CD1 4.15Å |
| 473 | L | 95.1 | Very high | 94.9 | Very high | 24 Ų | 24 | 25.9 Ų | 25.9 | 13% | 0.126 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.9 | -27.9 | 175.3 | -64.3 | -179.1 | 0 | 0 | 0 | 113.7 | I466 V468 P469 V470 G475 F484 I496 Y635 F683 | I466-L473 HydrophobicContact CG2-CD2 4.07Å; V468-L473 HydrophobicContact CG2-CD2 3.51Å; V468-L473 HydrophobicContact CG2-CG 3.75Å; P469-L473 PolarHBondContact O-N 3.33Å; V470-L473 PolarHBondContact O-N 2.89Å; V470-L473 VanDerWaalsContact O-N 3.1Å; L473-G475 PolarHBondContact O-N 2.89Å; L473-F484 HydrophobicContact CD2-CE2 4.28Å; L473-F484 HydrophobicContact CD2-CZ 4.06Å; L473-I496 HydrophobicContact CB-CD1 4.3Å; L473-I496 HydrophobicContact CB-CG2 3.92Å; L473-I496 HydrophobicContact CD1-CD1 4.12Å; L473-Y635 HydrophobicContact CD1-CE2 3.44Å; L473-Y635 VanDerWaalsContact CD1-CE2 3.44Å; L473-Y635 WeakPolarHBondContact CD1-OH 3.26Å; L473-F683 HydrophobicContact CD1-CD1 4.34Å; L473-F683 HydrophobicContact CD1-CE1 4.42Å |
| 474 | K | 92.6 | Very high | 95 | Very high | 26 Ų | 26 | 26.6 Ų | 26.6 | 11% | 0.113 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -18.2 | 167.6 | -78.7 | 180 | 142.8 | 176.6 | 0 | 113.2 | V470 V472 L476 I496 E497 L499 G500 M501 | V470-K474 PolarHBondContact O-N 3Å; V472-K474 VanDerWaalsContact C-N 3.32Å; V472-K474 PolarHBondContact O-N 3.06Å; K474-L476 VanDerWaalsContact C-N 3.33Å; K474-L476 HydrophobicContact CB-CD1 4.41Å; K474-L476 HydrophobicContact CB-CD2 4Å; K474-L476 HydrophobicContact CB-CG 3.75Å; K474-L476 HydrophobicContact CD-CD1 4.18Å; K474-L476 HydrophobicContact CD-CD2 4.36Å; K474-L476 HydrophobicContact CD-CG 4.31Å; K474-L476 PolarHBondContact O-N 2.97Å; K474-I496 VanDerWaalsContact CE-O 3.29Å; K474-I496 WeakPolarHBondContact CE-O 3.34Å; K474-I496 HydrophobicContact CG-CG2 3.84Å; K474-E497 VanDerWaalsContact CE-C 3.48Å; K474-E497 VanDerWaalsContact CE-CA 3.5Å; K474-E497 WeakPolarHBondContact CE-O 3.49Å; K474-E497 PolarHBondContact NZ-O 2.86Å; K474-L499 WeakPolarHBondContact CE-O 3.4Å; K474-L499 PolarHBondContact NZ-O 3.33Å; K474-G500 PolarHBondContact NZ-O 2.82Å; K474-M501 PolarHBondContact NZ-O 3.12Å |
| 475 | G | 92.4 | Very high | 94.9 | Very high | 33 Ų | 33 | 31.9 Ų | 31.9 | 34% | 0.34 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 27.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G471 V472 L473 S477 | G471-G475 PolarHBondContact O-N 3.2Å; V472-G475 PolarHBondContact O-N 3.48Å; L473-G475 PolarHBondContact O-N 2.89Å; G475-S477 PolarHBondContact O-N 3.16Å |
| 476 | L | 91.3 | Very high | 94.7 | Very high | 40 Ų | 40 | 31.9 Ų | 31.9 | 21% | 0.209 | 19% | 0.194 | C | C | . | . | trans | -61.9 | -15 | -176 | -58.5 | 178 | 0 | 0 | 0 | 113.8 | G471 K474 M501 L617 | G471-L476 PolarHBondContact O-N 3.48Å; K474-L476 VanDerWaalsContact C-N 3.33Å; K474-L476 HydrophobicContact CB-CD1 4.41Å; K474-L476 HydrophobicContact CB-CD2 4Å; K474-L476 HydrophobicContact CB-CG 3.75Å; K474-L476 HydrophobicContact CD-CD1 4.18Å; K474-L476 HydrophobicContact CD-CD2 4.36Å; K474-L476 HydrophobicContact CD-CG 4.31Å; K474-L476 PolarHBondContact O-N 2.97Å; L476-M501 HydrophobicContact CD1-CE 3.62Å; L476-M501 HydrophobicContact CD1-CG 3.84Å; L476-L617 HydrophobicContact CB-CD1 4.15Å; L476-L617 HydrophobicContact CB-CD2 4.2Å | ||
| 477 | S | 92.9 | Very high | 94.6 | Very high | 15 Ų | 15 | 36.2 Ų | 36.2 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -132.9 | 130.8 | 167.4 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | G475 S479 S480 A481 | G475-S477 PolarHBondContact O-N 3.16Å; S477-S479 PolarHBondContact O-N 2.58Å; S477-S479 PolarHBondContact OG-OG 3.19Å; S477-S479 VanDerWaalsContact OG-OG 3.1Å; S477-S480 PolarHBondContact O-N 3.29Å; S477-S480 PolarHBondContact O-OG 2.81Å; S477-A481 PolarHBondContact O-N 3.16Å; S477-A481 VanDerWaalsContact O-N 3.12Å |
| 478 | S | 92.9 | Very high | 94.5 | Very high | 120 Ų | 120 | 36 Ų | 36 | 84% | 0.839 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -15.4 | 178.4 | 57.1 | 0 | 0 | 0 | 0 | 114.3 | S480 | S478-S480 VanDerWaalsContact C-N 3.3Š|
| 479 | S | 91.9 | Very high | 94.4 | Very high | 62 Ų | 62 | 35.7 Ų | 35.7 | 43% | 0.434 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -10.5 | 176.6 | 62.3 | 0 | 0 | 0 | 0 | 114 | V386 S477 P614 | V386-S479 WeakPolarHBondContact CG1-O 3.44Å; S477-S479 PolarHBondContact O-N 2.58Å; S477-S479 PolarHBondContact OG-OG 3.19Å; S477-S479 VanDerWaalsContact OG-OG 3.1Å; S479-P614 WeakPolarHBondContact OG-CB 3.35Å |
| 480 | S | 94.8 | Very high | 94.4 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 3% | 0.028 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.7 | -7.8 | -177.3 | 66 | 0 | 0 | 0 | 0 | 114.3 | V472 S477 S478 P614 | V472-S480 VanDerWaalsContact CG1-O 3.29Å; V472-S480 WeakPolarHBondContact CG1-O 3.24Å; S477-S480 PolarHBondContact O-N 3.29Å; S477-S480 PolarHBondContact O-OG 2.81Å; S478-S480 VanDerWaalsContact C-N 3.3Å; S480-P614 WeakPolarHBondContact CB-O 3.27Å; S480-P614 PolarHBondContact OG-O 3.21Å |
| 481 | A | 95.7 | Very high | 94.4 | Very high | 34 Ų | 34 | 43.1 Ų | 43.1 | 28% | 0.281 | 25% | 0.249 | S | C | . | . | trans | -58.5 | 135.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | S477 | S477-A481 PolarHBondContact O-N 3.16Å; S477-A481 VanDerWaalsContact O-N 3.12Å | ||
| 482 | I | 97.9 | Very high | 94.6 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 11% | 0.113 | 25% | 0.25 | C | C | . | . | trans | -110.5 | 119.7 | 179.2 | -56.7 | 176.5 | 0 | 0 | 0 | 108.8 | V387 I390 V468 F484 | V387-I482 HydrophobicContact CB-CD1 4.49Å; V387-I482 HydrophobicContact CG1-CD1 4.42Å; V387-I482 HydrophobicContact CG1-CG1 4.49Å; V387-I482 HydrophobicContact CG1-CG2 4.22Å; I390-I482 HydrophobicContact CD1-CG2 3.79Å; I390-I482 HydrophobicContact CG1-CG2 3.9Å; V468-I482 HydrophobicContact CG1-CD1 4.29Å; V468-I482 HydrophobicContact CG2-CD1 4.19Å; I482-F484 HydrophobicContact CB-CE2 4.13Å; I482-F484 HydrophobicContact CB-CZ 4.5Å; I482-F484 HydrophobicContact CG2-CD2 4.38Å; I482-F484 HydrophobicContact CG2-CE2 3.88Å; I482-F484 HydrophobicContact CG2-CZ 3.97Å; I482-F484 WeakPolarHBondContact O-CD2 3.27Å | ||
| 483 | T | 97.3 | Very high | 94.6 | Very high | 91 Ų | 91 | 47.6 Ų | 47.6 | 56% | 0.558 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 137.7 | 170.9 | -54.6 | 0 | 0 | 0 | 0 | 110.3 | T388 E389 I390 | T388-T483 PolarHBondContact O-N 2.93Å; E389-T483 CarbonylContact C-O 3.59Å; E389-T483 WeakPolarHBondContact CA-O 3.49Å; I390-T483 PolarHBondContact N-O 3.05Å |
| 484 | F | 97.7 | Very high | 94.4 | Very high | 22 Ų | 22 | 50.7 Ų | 50.7 | 10% | 0.096 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 133.2 | 176.5 | -67.4 | -95 | 0 | 0 | 0 | 109.4 | I390 I466 L473 I482 P486 L488 L681 | I390-F484 HydrophobicContact CB-CD1 4.15Å; I390-F484 HydrophobicContact CB-CE1 4.37Å; I390-F484 HydrophobicContact CD1-CD1 4.35Å; I390-F484 HydrophobicContact CD1-CE1 3.71Å; I390-F484 HydrophobicContact CD1-CZ 4.17Å; I466-F484 HydrophobicContact CD1-CE1 3.72Å; I466-F484 HydrophobicContact CD1-CZ 4.19Å; L473-F484 HydrophobicContact CD2-CE2 4.28Å; L473-F484 HydrophobicContact CD2-CZ 4.06Å; I482-F484 HydrophobicContact CB-CE2 4.13Å; I482-F484 HydrophobicContact CB-CZ 4.5Å; I482-F484 HydrophobicContact CG2-CD2 4.38Å; I482-F484 HydrophobicContact CG2-CE2 3.88Å; I482-F484 HydrophobicContact CG2-CZ 3.97Å; I482-F484 WeakPolarHBondContact O-CD2 3.27Å; F484-P486 CarbonylContact C-O 3.56Å; F484-P486 VanDerWaalsContact C-O 3.22Å; F484-P486 CarbonylContact O-C 3.6Å; F484-L488 HydrophobicContact CB-CD2 4.33Å; F484-L488 HydrophobicContact CB-CG 4.09Å; F484-L488 HydrophobicContact CD1-CD1 4.32Å; F484-L488 HydrophobicContact CD1-CD2 3.64Å; F484-L488 HydrophobicContact CD1-CG 3.97Å; F484-L488 HydrophobicContact CD2-CD1 3.92Å; F484-L488 HydrophobicContact CD2-CG 3.93Å; F484-L488 HydrophobicContact CE1-CD1 4.26Å; F484-L488 HydrophobicContact CE1-CD2 4.02Å; F484-L488 HydrophobicContact CE1-CG 4.37Å; F484-L488 HydrophobicContact CE2-CD1 3.87Å; F484-L488 HydrophobicContact CE2-CG 4.36Å; F484-L488 HydrophobicContact CG-CD1 4.15Å; F484-L488 HydrophobicContact CG-CD2 3.92Å; F484-L488 HydrophobicContact CG-CG 3.72Å; F484-L488 HydrophobicContact CZ-CD1 4.04Å; F484-L681 HydrophobicContact CD1-CD1 4.13Å; F484-L681 HydrophobicContact CE1-CD1 4.33Å |
| 485 | Y | 95.5 | Very high | 94.3 | Very high | 111 Ų | 111 | 49.5 Ų | 49.5 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 119.4 | 174.9 | 177.9 | -107.7 | 0 | 0 | 0 | 111.7 | I390 D391 W392 S393 L648 | I390-Y485 PolarHBondContact O-N 2.91Å; D391-Y485 CarbonylContact C-O 3.43Å; D391-Y485 WeakPolarHBondContact CA-O 3.21Å; D391-Y485 HydrophobicContact CB-CD1 4.35Å; W392-Y485 PolarHBondContact N-O 2.56Å; S393-Y485 PolarHBondContact N-O 3.41Å; Y485-L648 HydrophobicContact CE2-CD2 4.39Å |
| 486 | P | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | S | Bend | cis | -61.1 | 171.4 | -9 | 31.6 | -39.8 | 0 | 0 | 0 | 111.8 | W392 F484 A644 Q647 L648 E651 | W392-P486 HydrophobicContact CZ2-CG 4.02Å; W392-P486 PolarHBondContact NE1-O 2.76Å; F484-P486 CarbonylContact C-O 3.56Å; F484-P486 VanDerWaalsContact C-O 3.22Å; F484-P486 CarbonylContact O-C 3.6Å; P486-A644 HydrophobicContact CG-CB 4.36Å; P486-Q647 HydrophobicContact CB-CB 3.73Å; P486-Q647 HydrophobicContact CG-CB 3.91Å; P486-L648 HydrophobicContact CB-CD2 4.01Å; P486-L648 HydrophobicContact CB-CG 4.07Å; P486-L648 HydrophobicContact CG-CD2 4.36Å; P486-L648 HydrophobicContact CG-CG 4.05Å; P486-E651 WeakPolarHBondContact CA-OE1 3.14Å; P486-E651 VanDerWaalsContact CB-OE1 3.25Å; P486-E651 WeakPolarHBondContact CB-OE1 3.18Å |
| 487 | E | 95.2 | Very high | 94.3 | Very high | 92 Ų | 92 | 51.2 Ų | 51.2 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 155.3 | 178.8 | -74.9 | -158 | 158.2 | 0 | 0 | 112.7 | R493 E651 | E487-R493 IonicContact OE2-CZ 2.77Å; E487-R493 IonicContact OE2-NE 3.31Å; E487-R493 PolarHBondContact OE2-NE 2.75Å; E487-R493 IonicContact OE2-NH1 4Å; E487-R493 PolarHBondContact OE2-NH1 3.41Å; E487-R493 IonicContact OE2-NH2 2.87Å; E487-R493 PolarHBondContact OE2-NH2 3Å; E487-E651 PolarHBondContact N-OE1 2.69Å; E487-E651 VanDerWaalsContact N-OE1 3.16Å |
| 488 | L | 96.1 | Very high | 94 | Very high | 9 Ų | 9 | 54.3 Ų | 54.3 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 143.5 | 168.9 | -63.9 | -178.8 | 0 | 0 | 0 | 110.2 | F484 L490 K492 R493 I496 L639 L681 F683 | F484-L488 HydrophobicContact CB-CD2 4.33Å; F484-L488 HydrophobicContact CB-CG 4.09Å; F484-L488 HydrophobicContact CD1-CD1 4.32Å; F484-L488 HydrophobicContact CD1-CD2 3.64Å; F484-L488 HydrophobicContact CD1-CG 3.97Å; F484-L488 HydrophobicContact CD2-CD1 3.92Å; F484-L488 HydrophobicContact CD2-CG 3.93Å; F484-L488 HydrophobicContact CE1-CD1 4.26Å; F484-L488 HydrophobicContact CE1-CD2 4.02Å; F484-L488 HydrophobicContact CE1-CG 4.37Å; F484-L488 HydrophobicContact CE2-CD1 3.87Å; F484-L488 HydrophobicContact CE2-CG 4.36Å; F484-L488 HydrophobicContact CG-CD1 4.15Å; F484-L488 HydrophobicContact CG-CD2 3.92Å; F484-L488 HydrophobicContact CG-CG 3.72Å; F484-L488 HydrophobicContact CZ-CD1 4.04Å; L488-L490 PolarHBondContact O-N 3.2Å; L488-K492 HydrophobicContact CD1-CD 4.32Å; L488-R493 HydrophobicContact CB-CG 3.92Å; L488-R493 WeakPolarHBondContact O-CD 3.01Å; L488-R493 PolarHBondContact O-NE 2.88Å; L488-I496 HydrophobicContact CD1-CD1 4.32Å; L488-L639 HydrophobicContact CD2-CD1 3.69Å; L488-L681 HydrophobicContact CD2-CD1 4.16Å; L488-F683 HydrophobicContact CD1-CE1 4.45Å; L488-F683 HydrophobicContact CD1-CZ 4.23Å; L488-F683 HydrophobicContact CD2-CZ 3.98Å |
| 489 | P | 95.5 | Very high | 93.6 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 7% | 0.065 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -51.3 | 139.2 | 177.9 | -30.2 | 36.5 | 0 | 0 | 0 | 113.4 | N491 K492 R493 L639 Q647 | P489-N491 VanDerWaalsContact C-N 3.27Å; P489-N491 WeakPolarHBondContact CB-OD1 3.35Å; P489-N491 PolarHBondContact O-N 3.02Å; P489-N491 VanDerWaalsContact O-N 3.17Å; P489-K492 WeakPolarHBondContact O-CA 3.37Å; P489-K492 WeakPolarHBondContact O-CB 3.48Å; P489-K492 PolarHBondContact O-N 2.7Å; P489-R493 PolarHBondContact O-N 3.26Å; P489-L639 HydrophobicContact CG-CD1 4.31Å; P489-L639 HydrophobicContact CG-CD2 3.92Å; P489-Q647 HydrophobicContact CG-CG 4.34Å |
| 490 | L | 94.1 | Very high | 93 | Very high | 94 Ų | 94 | 45.8 Ų | 45.8 | 49% | 0.492 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -53.1 | -41.3 | -172.6 | 179.2 | 62.5 | 0 | 0 | 0 | 113.1 | L488 K492 R493 Q494 | L488-L490 PolarHBondContact O-N 3.2Å; L490-K492 VanDerWaalsContact C-N 3.32Å; L490-K492 PolarHBondContact O-N 2.77Å; L490-R493 PolarHBondContact O-N 3.31Å; L490-Q494 HydrophobicContact CD1-CG 4.14Å; L490-Q494 HydrophobicContact CG-CG 4.37Å; L490-Q494 WeakPolarHBondContact O-CB 3.3Å; L490-Q494 VanDerWaalsContact O-CG 3.3Å; L490-Q494 WeakPolarHBondContact O-CG 3.42Å; L490-Q494 PolarHBondContact O-N 2.85Å |
| 491 | N | 92.6 | Very high | 92.4 | Very high | 89 Ų | 89 | 45.9 Ų | 45.9 | 48% | 0.476 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.5 | -37.6 | 176.6 | 62.3 | -9.8 | 0 | 0 | 0 | 112.7 | P489 A495 V634 | P489-N491 VanDerWaalsContact C-N 3.27Å; P489-N491 WeakPolarHBondContact CB-OD1 3.35Å; P489-N491 PolarHBondContact O-N 3.02Å; P489-N491 VanDerWaalsContact O-N 3.17Å; N491-A495 VanDerWaalsContact O-CB 3.28Å; N491-A495 WeakPolarHBondContact O-CB 3.45Å; N491-A495 PolarHBondContact O-N 2.6Å; N491-V634 HydrophobicContact CB-CG1 4.46Å |
| 492 | K | 94.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.2 | -42.1 | 175 | -175.4 | -178.9 | -71.5 | -67.1 | 0 | 111.5 | L488 P489 L490 A495 I496 V634 Y635 L637 L639 F683 | L488-K492 HydrophobicContact CD1-CD 4.32Å; P489-K492 WeakPolarHBondContact O-CA 3.37Å; P489-K492 WeakPolarHBondContact O-CB 3.48Å; P489-K492 PolarHBondContact O-N 2.7Å; L490-K492 VanDerWaalsContact C-N 3.32Å; L490-K492 PolarHBondContact O-N 2.77Å; K492-A495 PolarHBondContact O-N 2.73Å; K492-I496 HydrophobicContact CG-CD1 3.97Å; K492-I496 WeakPolarHBondContact O-CB 2.93Å; K492-I496 WeakPolarHBondContact O-CG1 3.3Å; K492-I496 PolarHBondContact O-N 2.65Å; K492-V634 HydrophobicContact CB-CG1 4.34Å; K492-V634 PolarHBondContact NZ-O 3.06Å; K492-Y635 PolarHBondContact NZ-O 3.02Å; K492-L637 WeakPolarHBondContact CE-O 3.42Å; K492-L637 PolarHBondContact NZ-O 2.57Å; K492-L639 HydrophobicContact CD-CD1 4.24Å; K492-F683 HydrophobicContact CD-CD2 4.39Å; K492-F683 HydrophobicContact CD-CE1 4.47Å; K492-F683 HydrophobicContact CD-CE2 3.88Å; K492-F683 HydrophobicContact CD-CZ 3.92Å |
| 493 | R | 94.5 | Very high | 91.2 | Very high | 98 Ų | 98 | 48.2 Ų | 48.2 | 37% | 0.37 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.9 | -48.8 | 174.1 | -71 | -171.8 | -74.8 | 143.6 | -13.8 | 111.5 | E487 L488 P489 L490 A495 I496 E497 | E487-R493 IonicContact OE2-CZ 2.77Å; E487-R493 IonicContact OE2-NE 3.31Å; E487-R493 PolarHBondContact OE2-NE 2.75Å; E487-R493 IonicContact OE2-NH1 4Å; E487-R493 PolarHBondContact OE2-NH1 3.41Å; E487-R493 IonicContact OE2-NH2 2.87Å; E487-R493 PolarHBondContact OE2-NH2 3Å; L488-R493 HydrophobicContact CB-CG 3.92Å; L488-R493 WeakPolarHBondContact O-CD 3.01Å; L488-R493 PolarHBondContact O-NE 2.88Å; P489-R493 PolarHBondContact O-N 3.26Å; L490-R493 PolarHBondContact O-N 3.31Å; R493-A495 VanDerWaalsContact C-N 3.33Å; R493-A495 PolarHBondContact O-N 2.76Å; R493-I496 PolarHBondContact O-N 3.08Å; R493-E497 WeakPolarHBondContact O-CB 3.25Å; R493-E497 PolarHBondContact O-N 2.75Å |
| 494 | Q | 92.1 | Very high | 90.8 | Very high | 90 Ų | 90 | 48.2 Ų | 48.2 | 42% | 0.421 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.6 | -37 | 175.9 | -74.4 | -179.9 | -6.6 | 0 | 0 | 113.5 | L490 E497 R498 | L490-Q494 HydrophobicContact CD1-CG 4.14Å; L490-Q494 HydrophobicContact CG-CG 4.37Å; L490-Q494 WeakPolarHBondContact O-CB 3.3Å; L490-Q494 VanDerWaalsContact O-CG 3.3Å; L490-Q494 WeakPolarHBondContact O-CG 3.42Å; L490-Q494 PolarHBondContact O-N 2.85Å; Q494-E497 PolarHBondContact O-N 3.38Å; Q494-R498 PolarHBondContact O-N 3.09Å; Q494-R498 VanDerWaalsContact O-N 3.15Å |
| 495 | A | 91 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.6 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N491 K492 R493 E497 R498 L499 D631 V634 | N491-A495 VanDerWaalsContact O-CB 3.28Å; N491-A495 WeakPolarHBondContact O-CB 3.45Å; N491-A495 PolarHBondContact O-N 2.6Å; K492-A495 PolarHBondContact O-N 2.73Å; R493-A495 VanDerWaalsContact C-N 3.33Å; R493-A495 PolarHBondContact O-N 2.76Å; A495-E497 VanDerWaalsContact C-N 3.33Å; A495-R498 PolarHBondContact O-N 3.07Å; A495-L499 VanDerWaalsContact O-CD1 3.31Å; A495-L499 WeakPolarHBondContact O-CD1 3.46Å; A495-L499 WeakPolarHBondContact O-CG 3.45Å; A495-L499 PolarHBondContact O-N 2.83Å; A495-D631 HydrophobicContact CB-CB 4.01Å; A495-V634 HydrophobicContact CB-CB 3.96Å; A495-V634 HydrophobicContact CB-CG1 3.82Å |
| 496 | I | 92.2 | Very high | 89.7 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 172.2 | -72.6 | 165.1 | 0 | 0 | 0 | 110.1 | V470 L473 K474 L488 K492 R493 R498 L499 Y635 | V470-I496 HydrophobicContact CG2-CG2 4.07Å; L473-I496 HydrophobicContact CB-CD1 4.3Å; L473-I496 HydrophobicContact CB-CG2 3.92Å; L473-I496 HydrophobicContact CD1-CD1 4.12Å; K474-I496 VanDerWaalsContact CE-O 3.29Å; K474-I496 WeakPolarHBondContact CE-O 3.34Å; K474-I496 HydrophobicContact CG-CG2 3.84Å; L488-I496 HydrophobicContact CD1-CD1 4.32Å; K492-I496 HydrophobicContact CG-CD1 3.97Å; K492-I496 WeakPolarHBondContact O-CB 2.93Å; K492-I496 WeakPolarHBondContact O-CG1 3.3Å; K492-I496 PolarHBondContact O-N 2.65Å; R493-I496 PolarHBondContact O-N 3.08Å; I496-R498 VanDerWaalsContact C-N 3.33Å; I496-R498 PolarHBondContact O-N 3.3Å; I496-L499 PolarHBondContact O-N 2.7Å; I496-L499 VanDerWaalsContact O-O 3.04Å; I496-Y635 HydrophobicContact CD1-CD2 4.28Å; I496-Y635 HydrophobicContact CD1-CE2 4.48Å; I496-Y635 HydrophobicContact CG1-CD2 3.93Å; I496-Y635 HydrophobicContact CG1-CE2 4.31Å; I496-Y635 HydrophobicContact CG1-CG 4.41Å |
| 497 | E | 90 | Very high | 88.9 | Confident | 103 Ų | 103 | 44 Ų | 44 | 48% | 0.481 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.5 | -36.5 | -179.2 | -169.5 | 51.8 | -140.1 | 0 | 0 | 113.3 | K474 R493 Q494 A495 L499 | K474-E497 VanDerWaalsContact CE-C 3.48Å; K474-E497 VanDerWaalsContact CE-CA 3.5Å; K474-E497 WeakPolarHBondContact CE-O 3.49Å; K474-E497 PolarHBondContact NZ-O 2.86Å; R493-E497 WeakPolarHBondContact O-CB 3.25Å; R493-E497 PolarHBondContact O-N 2.75Å; Q494-E497 PolarHBondContact O-N 3.38Å; A495-E497 VanDerWaalsContact C-N 3.33Å; E497-L499 PolarHBondContact O-N 2.92Å |
| 498 | R | 86.2 | Confident | 88.2 | Confident | 80 Ų | 80 | 40.8 Ų | 40.8 | 30% | 0.302 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -3.3 | 174.2 | -71 | -175.1 | -67.1 | -90.4 | -2.7 | 114.3 | Q494 A495 I496 E624 S627 D631 | Q494-R498 PolarHBondContact O-N 3.09Å; Q494-R498 VanDerWaalsContact O-N 3.15Å; A495-R498 PolarHBondContact O-N 3.07Å; I496-R498 VanDerWaalsContact C-N 3.33Å; I496-R498 PolarHBondContact O-N 3.3Å; R498-E624 PolarHBondContact O-N 3.37Å; R498-S627 WeakPolarHBondContact O-CB 3.42Å; R498-D631 IonicContact CZ-OD1 2.71Å; R498-D631 IonicContact NE-OD1 3.68Å; R498-D631 PolarHBondContact NE-OD1 3.22Å; R498-D631 IonicContact NE-OD2 2.82Å; R498-D631 IonicContact NH2-OD1 3.76Å; R498-D631 PolarHBondContact NH2-OD1 2.78Å |
| 499 | L | 86 | Confident | 87.7 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -116.2 | 140.7 | -174.7 | -70.3 | 172.4 | 0 | 0 | 0 | 112.5 | V470 K474 A495 I496 E497 T621 D631 R632 Y635 | V470-L499 HydrophobicContact CG2-CB 3.9Å; K474-L499 WeakPolarHBondContact CE-O 3.4Å; K474-L499 PolarHBondContact NZ-O 3.33Å; A495-L499 VanDerWaalsContact O-CD1 3.31Å; A495-L499 WeakPolarHBondContact O-CD1 3.46Å; A495-L499 WeakPolarHBondContact O-CG 3.45Å; A495-L499 PolarHBondContact O-N 2.83Å; I496-L499 PolarHBondContact O-N 2.7Å; I496-L499 VanDerWaalsContact O-O 3.04Å; E497-L499 PolarHBondContact O-N 2.92Å; L499-T621 HydrophobicContact CB-CG2 4.08Å; L499-T621 HydrophobicContact CD2-CG2 4.3Å; L499-D631 HydrophobicContact CD1-CB 4.01Å; L499-D631 HydrophobicContact CD2-CB 4.39Å; L499-D631 HydrophobicContact CG-CB 4.14Å; L499-R632 HydrophobicContact CD1-CG 3.73Å; L499-R632 HydrophobicContact CD2-CG 3.65Å; L499-R632 HydrophobicContact CG-CG 4.37Å; L499-Y635 HydrophobicContact CD1-CD1 4.05Å; L499-Y635 HydrophobicContact CD1-CG 4.47Å |
| 500 | G | 78.7 | Confident | 87.3 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 65.6 | 176.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K474 T622 E624 | K474-G500 PolarHBondContact NZ-O 2.82Å; G500-T622 PolarHBondContact N-O 3.2Å; G500-E624 WeakPolarHBondContact O-CG 3.28Å |
| 501 | M | 82.8 | Confident | 87.2 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 3% | 0.034 | 19% | 0.191 | C | C | . | . | trans | -56.6 | 153.4 | -170.3 | 73.7 | -174.3 | -168.7 | 0 | 0 | 114.1 | K474 L476 S503 T508 S611 L617 | K474-M501 PolarHBondContact NZ-O 3.12Å; L476-M501 HydrophobicContact CD1-CE 3.62Å; L476-M501 HydrophobicContact CD1-CG 3.84Å; M501-S503 WeakPolarHBondContact CE-O 3.34Å; M501-T508 HydrophobicContact SD-CG2 4.38Å; M501-S611 WeakPolarHBondContact CE-O 3.5Å; M501-S611 VanDerWaalsContact SD-CB 3.58Å; M501-L617 HydrophobicContact CE-CB 3.76Å; M501-L617 HydrophobicContact CE-CD2 3.94Å; M501-L617 HydrophobicContact CE-CG 4.48Å; M501-L617 VanDerWaalsContact CE-O 3.27Å; M501-L617 WeakPolarHBondContact CE-O 3.26Å | ||
| 502 | P | 80.6 | Confident | 87.4 | Confident | 51 Ų | 51 | 32.9 Ų | 32.9 | 33% | 0.331 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -79.2 | -25.6 | -176.5 | 30.8 | -34.9 | 0 | 0 | 0 | 113.5 | S506 | P502-S506 WeakPolarHBondContact CD-OG 3.34Š|
| 503 | S | 87 | Confident | 87.4 | Confident | 54 Ų | 54 | 32.8 Ų | 32.8 | 38% | 0.378 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -155.2 | 155.6 | -175.6 | 59.4 | 0 | 0 | 0 | 0 | 112.3 | M501 S506 | M501-S503 WeakPolarHBondContact CE-O 3.34Å; S503-S506 WeakPolarHBondContact O-CB 3.25Å; S503-S506 PolarHBondContact O-N 3.33Å; S503-S506 VanDerWaalsContact O-N 3.16Å; S503-S506 PolarHBondContact O-OG 2.95Å; S503-S506 VanDerWaalsContact O-OG 3.05Å; S503-S506 PolarHBondContact OG-OG 3.14Å |
| 504 | Q | 88.7 | Confident | 87.5 | Confident | 91 Ų | 91 | 28.1 Ų | 28.1 | 43% | 0.425 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 138.7 | 172.2 | -169.2 | 176.8 | -10.8 | 0 | 0 | 110.6 | S506 S611 E612 L617 | Q504-S506 VanDerWaalsContact C-N 3.27Å; Q504-S506 PolarHBondContact O-N 2.82Å; Q504-S611 WeakPolarHBondContact CG-O 3.16Å; Q504-E612 PolarHBondContact NE2-O 3.41Å; Q504-E612 VanDerWaalsContact NE2-O 3.12Å; Q504-L617 HydrophobicContact CB-CD2 4.39Å; Q504-L617 HydrophobicContact CG-CD2 4.01Å |
| 505 | G | 85.5 | Confident | 87.6 | Confident | 21 Ų | 21 | 23.9 Ų | 23.9 | 22% | 0.216 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 3.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A565 S611 | G505-A565 WeakPolarHBondContact O-CB 3.43Å; G505-S611 PolarHBondContact N-O 3.36Å |
| 506 | S | 84 | Confident | 87.6 | Confident | 10 Ų | 10 | 24 Ų | 24 | 7% | 0.07 | 13% | 0.13 | C | C | . | . | trans | -56 | 150.3 | 171.1 | -86.3 | 0 | 0 | 0 | 0 | 112.8 | P502 S503 Q504 T508 S611 | P502-S506 WeakPolarHBondContact CD-OG 3.34Å; S503-S506 WeakPolarHBondContact O-CB 3.25Å; S503-S506 PolarHBondContact O-N 3.33Å; S503-S506 VanDerWaalsContact O-N 3.16Å; S503-S506 PolarHBondContact O-OG 2.95Å; S503-S506 VanDerWaalsContact O-OG 3.05Å; S503-S506 PolarHBondContact OG-OG 3.14Å; Q504-S506 VanDerWaalsContact C-N 3.27Å; Q504-S506 PolarHBondContact O-N 2.82Å; S506-T508 PolarHBondContact O-N 3.13Å; S506-T508 VanDerWaalsContact O-N 3.17Å; S506-S611 WeakPolarHBondContact O-CB 3.22Å; S506-S611 PolarHBondContact O-OG 2.73Å | ||
| 507 | A | 79.8 | Confident | 87.4 | Confident | 14 Ų | 14 | 27.3 Ų | 27.3 | 12% | 0.116 | 15% | 0.145 | C | C | . | . | trans | -57.4 | 115.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | H563 | A507-H563 WeakPolarHBondContact CB-CD2 3.37Š| ||
| 508 | T | 80.1 | Confident | 87.1 | Confident | 23 Ų | 23 | 26 Ų | 26 | 14% | 0.141 | 14% | 0.136 | C | C | . | . | trans | -131 | 173.6 | 179.1 | 43.1 | 0 | 0 | 0 | 0 | 111.6 | M501 S506 E510 S611 | M501-T508 HydrophobicContact SD-CG2 4.38Å; S506-T508 PolarHBondContact O-N 3.13Å; S506-T508 VanDerWaalsContact O-N 3.17Å; T508-E510 PolarHBondContact O-N 3.17Å; T508-E510 PolarHBondContact OG1-OE1 2.91Å; T508-S611 VanDerWaalsContact OG1-CB 3.27Å; T508-S611 WeakPolarHBondContact OG1-CB 3.41Å; T508-S611 PolarHBondContact OG1-OG 3.28Å | ||
| 509 | H | 84.8 | Confident | 87 | Confident | 33 Ų | 33 | 26.2 Ų | 26.2 | 15% | 0.153 | 15% | 0.147 | C | C | . | . | trans | -74.6 | 112.1 | 171.7 | 171.5 | -144 | 0 | 0 | 0 | 110.3 | H555 L556 W557 A619 Y620 | H509-H555 AromaticContact NE2-CE1 3.98Å; H509-H555 AromaticContact NE2-ND1 3.53Å; H509-L556 VanDerWaalsContact CA-O 3.29Å; H509-L556 WeakPolarHBondContact CA-O 3.3Å; H509-W557 HydrophobicContact CB-CE3 3.87Å; H509-W557 HydrophobicContact CB-CH2 4.43Å; H509-W557 HydrophobicContact CB-CZ3 3.72Å; H509-W557 AromaticContact CD2-CD2 3.99Å; H509-W557 AromaticContact CD2-CE2 3.86Å; H509-W557 AromaticContact CD2-CE3 3.8Å; H509-W557 AromaticContact CD2-CH2 3.43Å; H509-W557 VanDerWaalsContact CD2-CH2 3.43Å; H509-W557 WeakPolarHBondContact CD2-CH2 3.49Å; H509-W557 AromaticContact CD2-CZ2 3.57Å; H509-W557 AromaticContact CD2-CZ3 3.55Å; H509-W557 AromaticContact CE1-CZ3 3.98Å; H509-W557 AromaticContact CG-CE3 3.78Å; H509-W557 AromaticContact CG-CH2 3.55Å; H509-W557 AromaticContact CG-CZ3 3.32Å; H509-W557 AromaticContact ND1-CH2 3.5Å; H509-W557 AromaticContact ND1-CZ3 3.6Å; H509-W557 AromaticContact NE2-CH2 3.81Å; H509-A619 HydrophobicContact CB-CB 4.15Å; H509-A619 WeakPolarHBondContact O-CB 3.1Å; H509-Y620 HydrophobicContact CB-CE1 3.93Å; H509-Y620 AromaticContact CE1-CE1 3.22Å; H509-Y620 WeakPolarHBondContact CE1-CE1 3.17Å | ||
| 510 | E | 88.5 | Confident | 87 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 160.7 | 173.8 | -54.8 | -52.5 | 147.7 | 0 | 0 | 111.7 | T508 H555 L556 T608 R609 W610 | T508-E510 PolarHBondContact O-N 3.17Å; T508-E510 PolarHBondContact OG1-OE1 2.91Å; E510-H555 WeakPolarHBondContact O-CA 3.49Å; E510-L556 HydrophobicContact CB-CB 4.19Å; E510-L556 PolarHBondContact N-O 3.47Å; E510-L556 PolarHBondContact O-N 2.72Å; E510-T608 VanDerWaalsContact CA-OG1 3.28Å; E510-T608 WeakPolarHBondContact CA-OG1 3.36Å; E510-T608 WeakPolarHBondContact CB-O 3.33Å; E510-T608 WeakPolarHBondContact CB-OG1 3.5Å; E510-T608 WeakPolarHBondContact CG-O 3.37Å; E510-T608 VanDerWaalsContact OE2-CB 3.32Å; E510-T608 WeakPolarHBondContact OE2-CB 3.45Å; E510-T608 VanDerWaalsContact OE2-O 3.06Å; E510-T608 PolarHBondContact OE2-OG1 3.28Å; E510-R609 WeakPolarHBondContact OE2-CA 3.33Å; E510-R609 PolarHBondContact OE2-N 2.93Å; E510-R609 VanDerWaalsContact OE2-N 3.09Å; E510-W610 WeakPolarHBondContact OE1-CB 3.2Å; E510-W610 PolarHBondContact OE1-N 3.42Å; E510-W610 PolarHBondContact OE2-N 3.28Å |
| 511 | K | 92.5 | Very high | 87.5 | Confident | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.013 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 144 | 174.2 | -58.5 | -168.7 | -168.3 | -176.3 | 0 | 111.4 | D121 L122 G123 N125 A554 V607 T608 | D121-K511 PolarHBondContact O-NZ 3.41Å; L122-K511 VanDerWaalsContact O-CD 3.28Å; L122-K511 WeakPolarHBondContact O-CD 3.18Å; L122-K511 VanDerWaalsContact O-CE 3.27Å; L122-K511 WeakPolarHBondContact O-CE 3.49Å; G123-K511 VanDerWaalsContact O-CE 3.23Å; G123-K511 WeakPolarHBondContact O-CE 3.46Å; G123-K511 PolarHBondContact O-NZ 2.92Å; N125-K511 VanDerWaalsContact CG-NZ 3.32Å; N125-K511 PolarHBondContact ND2-NZ 3.1Å; N125-K511 PolarHBondContact OD1-NZ 2.87Å; N125-K511 VanDerWaalsContact OD1-NZ 3.13Å; K511-A554 CarbonylContact C-O 3.52Å; K511-A554 VanDerWaalsContact CA-O 3.28Å; K511-A554 WeakPolarHBondContact CA-O 3.44Å; K511-V607 CarbonylContact O-C 3.56Å; K511-V607 WeakPolarHBondContact O-CA 3.47Å; K511-T608 HydrophobicContact CB-CG2 4.17Å; K511-T608 PolarHBondContact N-OG1 3.36Å; K511-T608 PolarHBondContact O-N 2.75Å |
| 512 | V | 95.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 107.7 | 169.7 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | L514 C553 A554 L556 I572 V573 I576 L606 V607 | V512-L514 HydrophobicContact CG1-CD2 3.73Å; V512-L514 HydrophobicContact CG1-CG 4.18Å; V512-C553 CarbonylContact O-C 3.56Å; V512-C553 WeakPolarHBondContact O-CA 3.42Å; V512-A554 HydrophobicContact CB-CB 3.97Å; V512-A554 PolarHBondContact N-O 3.06Å; V512-A554 PolarHBondContact O-N 3.28Å; V512-L556 HydrophobicContact CB-CD1 4.42Å; V512-L556 HydrophobicContact CG2-CD1 3.55Å; V512-L556 HydrophobicContact CG2-CD2 4.32Å; V512-I572 HydrophobicContact CG2-CG2 3.72Å; V512-V573 HydrophobicContact CG1-CG2 3.76Å; V512-I576 HydrophobicContact CB-CD1 3.82Å; V512-I576 HydrophobicContact CG1-CD1 3.87Å; V512-I576 HydrophobicContact CG2-CD1 3.74Å; V512-L606 CarbonylContact C-O 3.59Å; V512-L606 WeakPolarHBondContact CA-O 3.34Å; V512-V607 HydrophobicContact CG1-CG2 4.26Å; V512-V607 HydrophobicContact CG2-CB 4.41Å; V512-V607 HydrophobicContact CG2-CG1 4.03Å; V512-V607 HydrophobicContact CG2-CG2 4.02Å |
| 513 | I | 96.2 | Very high | 88.4 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 127.6 | 174.1 | -53 | -57.3 | 0 | 0 | 0 | 108.1 | L45 V120 L122 L543 V551 C553 Y605 L606 | L45-I513 HydrophobicContact CD1-CG2 3.9Å; L45-I513 HydrophobicContact CD2-CG2 4.3Å; V120-I513 HydrophobicContact CG1-CG2 4.41Å; V120-I513 HydrophobicContact CG2-CG1 4.36Å; V120-I513 HydrophobicContact CG2-CG2 4.37Å; L122-I513 HydrophobicContact CD2-CG1 4.06Å; I513-L543 HydrophobicContact CD1-CD1 4.43Å; I513-V551 HydrophobicContact CG2-CG1 3.85Å; I513-C553 HydrophobicContact CD1-CB 3.92Å; I513-Y605 CarbonylContact O-C 3.47Å; I513-Y605 WeakPolarHBondContact O-CA 3.25Å; I513-Y605 WeakPolarHBondContact O-CB 3.38Å; I513-L606 HydrophobicContact CB-CB 4.46Å; I513-L606 PolarHBondContact N-O 3.17Å; I513-L606 PolarHBondContact O-N 2.81Å |
| 514 | L | 95.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 120.1 | 174.9 | -54.9 | 176.2 | 0 | 0 | 0 | 108.5 | V512 F516 V551 L552 V573 I576 L577 L580 P602 | V512-L514 HydrophobicContact CG1-CD2 3.73Å; V512-L514 HydrophobicContact CG1-CG 4.18Å; L514-F516 HydrophobicContact CB-CD2 4.4Å; L514-F516 HydrophobicContact CB-CE2 3.61Å; L514-F516 HydrophobicContact CB-CZ 4.13Å; L514-F516 HydrophobicContact CD1-CE2 4.32Å; L514-F516 HydrophobicContact CD1-CZ 4.29Å; L514-V551 WeakPolarHBondContact O-CA 3.43Å; L514-L552 HydrophobicContact CB-CB 4.37Å; L514-L552 PolarHBondContact N-O 2.78Å; L514-L552 PolarHBondContact O-N 3.28Å; L514-V573 HydrophobicContact CD2-CG1 3.94Å; L514-V573 HydrophobicContact CD2-CG2 4.06Å; L514-I576 HydrophobicContact CD1-CG2 3.93Å; L514-L577 HydrophobicContact CD1-CD2 4.29Å; L514-L580 HydrophobicContact CD1-CD1 4.28Å; L514-P602 HydrophobicContact CB-CB 4.38Å; L514-P602 HydrophobicContact CD2-CG 4.28Å |
| 515 | R | 93.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 121.1 | 174.6 | -177 | 177 | -179.3 | 148.5 | 10.7 | 109.5 | L45 P46 L48 S115 G116 V551 P602 V603 Y604 | L45-R515 HydrophobicContact CD1-CB 4.27Å; L45-R515 PolarHBondContact O-NH1 3.33Å; P46-R515 VanDerWaalsContact O-CZ 3.22Å; P46-R515 PolarHBondContact O-NH1 3.27Å; L48-R515 HydrophobicContact CD2-CG 4.37Å; L48-R515 VanDerWaalsContact CD2-NE 3.34Å; S115-R515 PolarHBondContact O-NH2 2.9Å; S115-R515 VanDerWaalsContact O-NH2 3.11Å; G116-R515 PolarHBondContact O-NH1 3.04Å; G116-R515 PolarHBondContact O-NH2 3.28Å; R515-V551 HydrophobicContact CG-CG2 4.38Å; R515-P602 CarbonylContact O-C 3.54Å; R515-P602 VanDerWaalsContact O-CA 3.3Å; R515-P602 WeakPolarHBondContact O-CA 3.15Å; R515-P602 WeakPolarHBondContact O-CB 3.47Å; R515-V603 HydrophobicContact CB-CG2 4.42Å; R515-V603 HydrophobicContact CG-CG2 4.05Å; R515-V603 VanDerWaalsContact O-CG2 3.29Å; R515-V603 WeakPolarHBondContact O-CG2 3.46Å; R515-V603 PolarHBondContact O-N 2.84Å; R515-Y604 PolarHBondContact N-O 3.45Å; R515-Y604 PolarHBondContact O-N 3.13Å |
| 516 | F | 91.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | trans | -104.9 | 161 | 174.9 | -61.7 | -89.8 | 0 | 0 | 0 | 110.6 | L514 Y518 H521 F523 W524 G550 L552 L577 P600 P602 | L514-F516 HydrophobicContact CB-CD2 4.4Å; L514-F516 HydrophobicContact CB-CE2 3.61Å; L514-F516 HydrophobicContact CB-CZ 4.13Å; L514-F516 HydrophobicContact CD1-CE2 4.32Å; L514-F516 HydrophobicContact CD1-CZ 4.29Å; F516-Y518 PolarHBondContact O-N 2.69Å; F516-H521 HydrophobicContact CB-CB 3.96Å; F516-H521 HydrophobicContact CD1-CB 4.47Å; F516-F523 HydrophobicContact CD1-CE1 4.24Å; F516-F523 AromaticContact CE1-CE1 3.83Å; F516-F523 HydrophobicContact CE1-CE1 3.83Å; F516-F523 HydrophobicContact CE1-CZ 4.49Å; F516-F523 HydrophobicContact CZ-CE1 4.02Å; F516-F523 HydrophobicContact CZ-CZ 4.26Å; F516-W524 HydrophobicContact CB-CH2 4.11Å; F516-W524 HydrophobicContact CB-CZ3 4.24Å; F516-W524 AromaticContact CD2-CH2 3.53Å; F516-W524 HydrophobicContact CD2-CH2 3.53Å; F516-W524 AromaticContact CD2-CZ3 3.58Å; F516-W524 HydrophobicContact CD2-CZ3 3.58Å; F516-W524 HydrophobicContact CE2-CH2 4.24Å; F516-W524 HydrophobicContact CE2-CZ3 4.03Å; F516-W524 HydrophobicContact CG-CH2 4.03Å; F516-W524 AromaticContact CG-CZ3 3.89Å; F516-W524 HydrophobicContact CG-CZ3 3.89Å; F516-G550 PolarHBondContact N-O 3.14Å; F516-L552 HydrophobicContact CE2-CD1 4.08Å; F516-L552 HydrophobicContact CE2-CG 4.34Å; F516-L577 HydrophobicContact CE1-CD2 4.18Å; F516-L577 HydrophobicContact CZ-CD2 3.85Å; F516-P600 WeakPolarHBondContact CE1-O 3.39Å; F516-P602 HydrophobicContact CD1-CB 4.21Å; F516-P602 HydrophobicContact CE1-CB 3.96Å; F516-P602 HydrophobicContact CZ-CB 4.14Å | ||
| 517 | K | 88.7 | Confident | 88.8 | Confident | 76 Ų | 76 | 31.1 Ų | 31.1 | 33% | 0.33 | 17% | 0.167 | S | C | . | . | trans | -69.1 | 125.6 | 172.3 | -165.1 | -176.8 | -179.2 | -164 | 0 | 109.3 | L48 E520 H521 V603 | L48-K517 HydrophobicContact CD1-CG 4.19Å; K517-E520 HydrophobicContact CD-CB 4.5Å; K517-E520 WeakPolarHBondContact CD-OE2 3.48Å; K517-E520 VanDerWaalsContact CE-CD 3.48Å; K517-E520 WeakPolarHBondContact CE-OE1 3.37Å; K517-E520 WeakPolarHBondContact CE-OE2 3.11Å; K517-E520 IonicContact NZ-OE1 3.74Å; K517-E520 PolarHBondContact NZ-OE1 3.07Å; K517-E520 IonicContact NZ-OE2 2.9Å; K517-E520 PolarHBondContact NZ-OE2 3.3Å; K517-H521 HydrophobicContact CB-CB 4.13Å; K517-H521 WeakPolarHBondContact O-CA 3.44Å; K517-H521 VanDerWaalsContact O-CB 3.32Å; K517-H521 WeakPolarHBondContact O-CB 3.27Å; K517-H521 PolarHBondContact O-N 2.91Å; K517-V603 HydrophobicContact CB-CG1 4.34Å | ||
| 518 | Y | 83.6 | Confident | 89.1 | Confident | 76 Ų | 76 | 30.5 Ų | 30.5 | 30% | 0.298 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 136.9 | 178.1 | 173.2 | -94.2 | 0 | 0 | 0 | 110.2 | Y114 F516 V522 H544 P549 | Y114-Y518 AromaticContact CD2-CD1 3.98Å; Y114-Y518 HydrophobicContact CD2-CD1 3.98Å; Y114-Y518 AromaticContact CD2-CE1 3.48Å; Y114-Y518 HydrophobicContact CD2-CE1 3.48Å; Y114-Y518 VanDerWaalsContact CD2-CE1 3.48Å; Y114-Y518 AromaticContact CE2-CE1 3.98Å; Y114-Y518 HydrophobicContact CE2-CE1 3.98Å; Y114-Y518 HydrophobicContact CG-CD1 4Å; Y114-Y518 AromaticContact CG-CE1 3.9Å; Y114-Y518 HydrophobicContact CG-CE1 3.9Å; F516-Y518 PolarHBondContact O-N 2.69Å; Y518-V522 HydrophobicContact CD2-CG2 3.89Å; Y518-H544 AromaticContact CD2-CE1 3.65Å; Y518-H544 AromaticContact CE2-CE1 3.5Å; Y518-H544 VanDerWaalsContact CE2-CE1 3.5Å; Y518-H544 WeakPolarHBondContact CE2-CE1 3.48Å; Y518-H544 AromaticContact CE2-NE2 3.98Å; Y518-P549 HydrophobicContact CD1-CB 4.05Å; Y518-P549 HydrophobicContact CD2-CB 4.04Å; Y518-P549 HydrophobicContact CE1-CB 4.35Å; Y518-P549 HydrophobicContact CE2-CB 4.37Å; Y518-P549 HydrophobicContact CG-CB 3.88Å |
| 519 | P | 84.5 | Confident | 89.2 | Confident | 84 Ų | 84 | 29.7 Ų | 29.7 | 55% | 0.545 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -82.2 | -17.5 | -0.9 | 33.2 | -35.5 | 0 | 0 | 0 | 114.7 | H521 V522 | P519-H521 PolarHBondContact O-N 2.86Å; P519-V522 PolarHBondContact O-N 3.42Å; P519-V522 VanDerWaalsContact O-N 3.14Å |
| 520 | E | 85.4 | Confident | 89.4 | Confident | 105 Ų | 105 | 28.2 Ų | 28.2 | 49% | 0.491 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -37.4 | -161.6 | -62.4 | 161.2 | -128.2 | 0 | 0 | 115.9 | K517 | K517-E520 HydrophobicContact CD-CB 4.5Å; K517-E520 WeakPolarHBondContact CD-OE2 3.48Å; K517-E520 VanDerWaalsContact CE-CD 3.48Å; K517-E520 WeakPolarHBondContact CE-OE1 3.37Å; K517-E520 WeakPolarHBondContact CE-OE2 3.11Å; K517-E520 IonicContact NZ-OE1 3.74Å; K517-E520 PolarHBondContact NZ-OE1 3.07Å; K517-E520 IonicContact NZ-OE2 2.9Å; K517-E520 PolarHBondContact NZ-OE2 3.3Å |
| 521 | H | 89.8 | Confident | 89.5 | Confident | 40 Ų | 40 | 28.1 Ų | 28.1 | 19% | 0.185 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 12.9 | -175.5 | -65.3 | -166.8 | 0 | 0 | 0 | 112.9 | F516 K517 P519 F523 P600 | F516-H521 HydrophobicContact CB-CB 3.96Å; F516-H521 HydrophobicContact CD1-CB 4.47Å; K517-H521 HydrophobicContact CB-CB 4.13Å; K517-H521 WeakPolarHBondContact O-CA 3.44Å; K517-H521 VanDerWaalsContact O-CB 3.32Å; K517-H521 WeakPolarHBondContact O-CB 3.27Å; K517-H521 PolarHBondContact O-N 2.91Å; P519-H521 PolarHBondContact O-N 2.86Å; H521-F523 WeakPolarHBondContact O-CD1 3.36Å; H521-F523 PolarHBondContact O-N 2.87Å; H521-P600 HydrophobicContact CB-CB 4.12Å; H521-P600 HydrophobicContact CB-CG 3.52Å |
| 522 | V | 89.4 | Confident | 89.5 | Confident | 33 Ų | 33 | 28.1 Ų | 28.1 | 20% | 0.2 | 15% | 0.15 | C | C | . | . | trans | -87.1 | 98.6 | 177.7 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | Y518 P519 W524 T526 | Y518-V522 HydrophobicContact CD2-CG2 3.89Å; P519-V522 PolarHBondContact O-N 3.42Å; P519-V522 VanDerWaalsContact O-N 3.14Å; V522-W524 HydrophobicContact CB-CH2 4.34Å; V522-W524 HydrophobicContact CB-CZ3 4.31Å; V522-W524 HydrophobicContact CG1-CD2 3.96Å; V522-W524 HydrophobicContact CG1-CE3 4.13Å; V522-W524 HydrophobicContact CG1-CH2 4.18Å; V522-W524 HydrophobicContact CG1-CZ2 4.02Å; V522-W524 HydrophobicContact CG1-CZ3 4.23Å; V522-W524 HydrophobicContact CG2-CH2 3.84Å; V522-W524 HydrophobicContact CG2-CZ2 4.19Å; V522-W524 HydrophobicContact CG2-CZ3 4.23Å; V522-T526 HydrophobicContact CG1-CG2 3.51Å | ||
| 523 | F | 91.3 | Very high | 89.4 | Confident | 15 Ų | 15 | 28.1 Ų | 28.1 | 7% | 0.066 | 15% | 0.15 | C | C | . | . | trans | -96.5 | -10.1 | -178.1 | 57.4 | -96.4 | 0 | 0 | 0 | 114.6 | F516 H521 L580 Y584 I599 P600 | F516-F523 HydrophobicContact CD1-CE1 4.24Å; F516-F523 AromaticContact CE1-CE1 3.83Å; F516-F523 HydrophobicContact CE1-CE1 3.83Å; F516-F523 HydrophobicContact CE1-CZ 4.49Å; F516-F523 HydrophobicContact CZ-CE1 4.02Å; F516-F523 HydrophobicContact CZ-CZ 4.26Å; H521-F523 WeakPolarHBondContact O-CD1 3.36Å; H521-F523 PolarHBondContact O-N 2.87Å; F523-L580 HydrophobicContact CE2-CB 4.15Å; F523-L580 HydrophobicContact CZ-CB 4.25Å; F523-L580 HydrophobicContact CZ-CD1 4.36Å; F523-Y584 AromaticContact CD2-CD2 3.78Å; F523-Y584 HydrophobicContact CD2-CD2 3.78Å; F523-Y584 AromaticContact CD2-CG 3.79Å; F523-Y584 HydrophobicContact CD2-CG 3.79Å; F523-Y584 AromaticContact CE2-CD2 3.73Å; F523-Y584 HydrophobicContact CE2-CD2 3.73Å; F523-Y584 HydrophobicContact CE2-CE2 4.33Å; F523-Y584 HydrophobicContact CE2-CG 4.21Å; F523-I599 HydrophobicContact CB-CG2 4.45Å; F523-I599 HydrophobicContact CD1-CB 4.01Å; F523-I599 HydrophobicContact CD1-CG2 4.05Å; F523-I599 HydrophobicContact CD2-CG2 3.83Å; F523-I599 HydrophobicContact CE1-CB 3.99Å; F523-I599 HydrophobicContact CE1-CD1 4.08Å; F523-I599 HydrophobicContact CE1-CG2 4.25Å; F523-I599 HydrophobicContact CE2-CD1 4.21Å; F523-I599 HydrophobicContact CE2-CG2 4.04Å; F523-I599 HydrophobicContact CG-CB 4.32Å; F523-I599 HydrophobicContact CG-CG2 3.84Å; F523-I599 HydrophobicContact CZ-CB 4.27Å; F523-I599 HydrophobicContact CZ-CD1 3.69Å; F523-I599 HydrophobicContact CZ-CG2 4.25Å; F523-P600 HydrophobicContact CD1-CG 4.31Å | ||
| 524 | W | 92.6 | Very high | 89.1 | Confident | 12 Ų | 12 | 28.3 Ų | 28.3 | 5% | 0.045 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -100.9 | 174.3 | -172.6 | 67 | 93.4 | 0 | 0 | 0 | 113.5 | F516 V522 T526 L531 N542 H544 L552 Y584 | F516-W524 HydrophobicContact CB-CH2 4.11Å; F516-W524 HydrophobicContact CB-CZ3 4.24Å; F516-W524 AromaticContact CD2-CH2 3.53Å; F516-W524 HydrophobicContact CD2-CH2 3.53Å; F516-W524 AromaticContact CD2-CZ3 3.58Å; F516-W524 HydrophobicContact CD2-CZ3 3.58Å; F516-W524 HydrophobicContact CE2-CH2 4.24Å; F516-W524 HydrophobicContact CE2-CZ3 4.03Å; F516-W524 HydrophobicContact CG-CH2 4.03Å; F516-W524 AromaticContact CG-CZ3 3.89Å; F516-W524 HydrophobicContact CG-CZ3 3.89Å; V522-W524 HydrophobicContact CB-CH2 4.34Å; V522-W524 HydrophobicContact CB-CZ3 4.31Å; V522-W524 HydrophobicContact CG1-CD2 3.96Å; V522-W524 HydrophobicContact CG1-CE3 4.13Å; V522-W524 HydrophobicContact CG1-CH2 4.18Å; V522-W524 HydrophobicContact CG1-CZ2 4.02Å; V522-W524 HydrophobicContact CG1-CZ3 4.23Å; V522-W524 HydrophobicContact CG2-CH2 3.84Å; V522-W524 HydrophobicContact CG2-CZ2 4.19Å; V522-W524 HydrophobicContact CG2-CZ3 4.23Å; W524-T526 PolarHBondContact O-N 3.14Å; W524-L531 HydrophobicContact CB-CD1 3.94Å; W524-L531 HydrophobicContact CG-CD1 4.09Å; W524-N542 PolarHBondContact NE1-OD1 2.6Å; W524-H544 HydrophobicContact CZ2-CB 4.36Å; W524-L552 HydrophobicContact CD2-CD1 4.07Å; W524-L552 HydrophobicContact CD2-CD2 4.08Å; W524-L552 HydrophobicContact CD2-CG 4.27Å; W524-L552 VanDerWaalsContact CE2-CD2 3.49Å; W524-L552 HydrophobicContact CE3-CD1 4.11Å; W524-L552 HydrophobicContact CG-CD2 4.37Å; W524-L552 HydrophobicContact CH2-CD1 4.44Å; W524-L552 HydrophobicContact CH2-CG 4.1Å; W524-L552 HydrophobicContact CZ2-CD1 4.39Å; W524-L552 HydrophobicContact CZ2-CD2 3.76Å; W524-L552 HydrophobicContact CZ2-CG 3.78Å; W524-L552 HydrophobicContact CZ3-CD1 4.31Å; W524-L552 HydrophobicContact CZ3-CG 4.45Å; W524-Y584 HydrophobicContact CB-CE1 4.1Å; W524-Y584 HydrophobicContact CB-CE2 3.92Å |
| 525 | D | 88.5 | Confident | 88.8 | Confident | 50 Ų | 50 | 28.5 Ų | 28.5 | 27% | 0.267 | 15% | 0.152 | S | C | . | . | trans | -73.8 | 103.2 | 175.2 | -173.3 | -17.6 | 0 | 0 | 0 | 110.4 | K171 G527 A528 N542 | K171-D525 WeakPolarHBondContact CE-OD2 3.35Å; K171-D525 IonicContact NZ-OD2 3.6Å; D525-G527 PolarHBondContact O-N 3.28Å; D525-G527 VanDerWaalsContact OD1-CA 3.28Å; D525-G527 WeakPolarHBondContact OD1-CA 3.37Å; D525-G527 PolarHBondContact OD1-N 2.78Å; D525-A528 HydrophobicContact CB-CB 4.03Å; D525-A528 PolarHBondContact O-N 3.46Å; D525-A528 PolarHBondContact OD1-N 2.81Å; D525-N542 PolarHBondContact O-ND2 3.26Å | ||
| 526 | T | 88.8 | Confident | 88.5 | Confident | 60 Ų | 60 | 29.1 Ų | 29.1 | 37% | 0.368 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -22.5 | 177.3 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | V522 W524 N542 H544 | V522-T526 HydrophobicContact CG1-CG2 3.51Å; W524-T526 PolarHBondContact O-N 3.14Å; T526-N542 PolarHBondContact O-ND2 3.3Å; T526-H544 WeakPolarHBondContact CG2-CE1 3.28Å |
| 527 | G | 83.8 | Confident | 88.3 | Confident | 26 Ų | 26 | 31.1 Ų | 31.1 | 27% | 0.268 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -2.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D525 R545 | D525-G527 PolarHBondContact O-N 3.28Å; D525-G527 VanDerWaalsContact OD1-CA 3.28Å; D525-G527 WeakPolarHBondContact OD1-CA 3.37Å; D525-G527 PolarHBondContact OD1-N 2.78Å; G527-R545 PolarHBondContact O-NH1 3.13Å; G527-R545 PolarHBondContact O-NH2 3.35Å |
| 528 | A | 86.2 | Confident | 88.3 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | trans | -87.5 | 144.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K171 D525 L531 N542 | K171-A528 HydrophobicContact CB-CB 3.67Å; K171-A528 HydrophobicContact CG-CB 4.18Å; D525-A528 HydrophobicContact CB-CB 4.03Å; D525-A528 PolarHBondContact O-N 3.46Å; D525-A528 PolarHBondContact OD1-N 2.81Å; A528-L531 HydrophobicContact CB-CD2 3.52Å; A528-N542 VanDerWaalsContact O-CB 3.31Å; A528-N542 WeakPolarHBondContact O-CB 3.28Å; A528-N542 PolarHBondContact O-ND2 3.42Å | ||
| 529 | A | 83 | Confident | 88.6 | Confident | 6 Ų | 6 | 24 Ų | 24 | 5% | 0.05 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -82.2 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L340 N542 R545 | L340-A529 HydrophobicContact CB-CB 4.44Å; L340-A529 HydrophobicContact CD1-CB 4.17Å; L340-A529 HydrophobicContact CD2-CB 4.42Å; A529-N542 WeakPolarHBondContact O-CB 3.46Å; A529-N542 PolarHBondContact O-N 2.97Å; A529-R545 VanDerWaalsContact N-NH1 3.12Å |
| 530 | H | 88.3 | Confident | 89 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 146.3 | 175.6 | -68.1 | -105.2 | 0 | 0 | 0 | 108.8 | A170 K171 H539 I540 | A170-H530 HydrophobicContact CB-CB 3.85Å; K171-H530 PolarHBondContact N-O 3.21Å; H530-H539 AromaticContact CE1-NE2 3.2Å; H530-H539 PolarHBondContact CE1-NE2 3.29Å; H530-H539 AromaticContact CG-NE2 3.19Å; H530-H539 AromaticContact ND1-CD2 3.81Å; H530-H539 AromaticContact ND1-NE2 2.41Å; H530-H539 PolarHBondContact ND1-NE2 3.12Å; H530-I540 CarbonylContact C-O 3.59Å; H530-I540 WeakPolarHBondContact CA-O 3.15Å; H530-I540 WeakPolarHBondContact CB-O 3.21Å |
| 531 | L | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 137.9 | 173.5 | -46 | 172.6 | 0 | 0 | 0 | 109.6 | K171 W524 A528 I540 L552 M583 Y584 | K171-L531 HydrophobicContact CB-CD2 4.21Å; W524-L531 HydrophobicContact CB-CD1 3.94Å; W524-L531 HydrophobicContact CG-CD1 4.09Å; A528-L531 HydrophobicContact CB-CD2 3.52Å; L531-I540 HydrophobicContact CB-CB 3.97Å; L531-I540 HydrophobicContact CB-CG2 4.37Å; L531-I540 HydrophobicContact CD1-CG2 4.12Å; L531-I540 HydrophobicContact CG-CB 4.43Å; L531-I540 HydrophobicContact CG-CG2 4.28Å; L531-I540 PolarHBondContact N-O 3.26Å; L531-I540 PolarHBondContact O-N 3.32Å; L531-I540 VanDerWaalsContact O-N 3.15Å; L531-L552 HydrophobicContact CD1-CD2 4.4Å; L531-M583 HydrophobicContact CB-CE 4.46Å; L531-Y584 HydrophobicContact CD1-CE2 4.47Å |
| 532 | K | 92.2 | Very high | 89.3 | Confident | 3 Ų | 3 | 13.1 Ų | 13.1 | 1% | 0.013 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 156.1 | -177.8 | -88.1 | -61.3 | -159.1 | 165.9 | 0 | 111.9 | A170 K171 W172 L173 L538 M583 | A170-K532 HydrophobicContact CB-CB 3.82Å; A170-K532 HydrophobicContact CB-CG 3.53Å; K171-K532 PolarHBondContact O-N 2.83Å; W172-K532 WeakPolarHBondContact CA-O 3.48Å; W172-K532 HydrophobicContact CD2-CB 3.54Å; W172-K532 HydrophobicContact CD2-CG 4.42Å; W172-K532 HydrophobicContact CE3-CB 3.81Å; W172-K532 HydrophobicContact CG-CB 3.97Å; W172-K532 HydrophobicContact CH2-CB 4.27Å; W172-K532 HydrophobicContact CH2-CD 4.39Å; W172-K532 HydrophobicContact CH2-CG 4.38Å; W172-K532 HydrophobicContact CZ2-CB 4.06Å; W172-K532 HydrophobicContact CZ2-CD 4.48Å; W172-K532 HydrophobicContact CZ2-CG 4.05Å; W172-K532 HydrophobicContact CZ3-CB 4.16Å; L173-K532 PolarHBondContact N-O 3.1Å; K532-L538 WeakPolarHBondContact CD-O 3.47Å; K532-L538 WeakPolarHBondContact CE-O 3.28Å; K532-L538 PolarHBondContact NZ-O 3.07Å; K532-M583 WeakPolarHBondContact O-CE 3.18Å |
| 533 | C | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -142.2 | 173.6 | 163.6 | 72.1 | 0 | 0 | 0 | 0 | 108.9 | W172 L173 H175 D535 M583 | W172-C533 VanDerWaalsContact CZ3-C 3.49Å; W172-C533 WeakPolarHBondContact CZ3-O 3.45Å; L173-C533 WeakPolarHBondContact O-CA 3.28Å; L173-C533 WeakPolarHBondContact O-CB 3.19Å; H175-C533 HydrophobicContact CB-CB 4.16Å; H175-C533 PolarHBondContact ND1-SG 3.12Å; C533-D535 PolarHBondContact O-N 2.86Å; C533-M583 HydrophobicContact CB-CE 4.27Å; C533-M583 HydrophobicContact CB-CG 3.83Å; C533-M583 HydrophobicContact CB-SD 3.68Å | ||
| 534 | P | 90.2 | Very high | 89.3 | Confident | 5 Ų | 5 | 12.5 Ų | 12.5 | 3% | 0.032 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -57.5 | -9.5 | 177.3 | -28.3 | 37 | 0 | 0 | 0 | 115.9 | L173 F176 I182 I251 G254 P536 | L173-P534 WeakPolarHBondContact O-CD 3.41Å; F176-P534 HydrophobicContact CE2-CB 4.45Å; I182-P534 HydrophobicContact CD1-CG 3.64Å; I251-P534 HydrophobicContact CG2-CG 4.41Å; G254-P534 CarbonylContact C-O 3.56Å; G254-P534 WeakPolarHBondContact CA-O 3.39Å; P534-P536 WeakPolarHBondContact O-CD 3.5Å |
| 535 | D | 90.1 | Very high | 88.9 | Confident | 4 Ų | 4 | 13.7 Ų | 13.7 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | trans | -81.2 | 117.7 | 175.2 | -172.3 | -22.2 | 0 | 0 | 0 | 110.7 | H175 C533 R537 L538 L579 W999 | H175-D535 PolarHBondContact CE1-N 3.48Å; C533-D535 PolarHBondContact O-N 2.86Å; D535-R537 PolarHBondContact O-N 3.26Å; D535-R537 WeakPolarHBondContact OD1-CB 3.42Å; D535-R537 WeakPolarHBondContact OD1-CG 3.2Å; D535-R537 PolarHBondContact OD1-N 2.77Å; D535-R537 IonicContact OD1-NE 3.5Å; D535-R537 PolarHBondContact OD1-NE 2.83Å; D535-R537 IonicContact OD2-CZ 2.7Å; D535-R537 IonicContact OD2-NE 2.68Å; D535-R537 PolarHBondContact OD2-NE 3.09Å; D535-R537 IonicContact OD2-NH2 2.67Å; D535-R537 PolarHBondContact OD2-NH2 3.3Å; D535-L538 PolarHBondContact O-N 3.26Å; D535-L538 VanDerWaalsContact O-N 3.15Å; D535-L579 HydrophobicContact CB-CD1 4.2Å; D535-L579 HydrophobicContact CB-CD2 3.97Å; D535-L579 WeakPolarHBondContact OD2-CD1 3.46Å; D535-L579 WeakPolarHBondContact OD2-CD2 3.43Å; D535-W999 WeakPolarHBondContact OD2-CH2 3.44Å | ||
| 536 | P | 86.1 | Confident | 88.7 | Confident | 13 Ų | 13 | 11.3 Ų | 11.3 | 8% | 0.084 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.7 | 179.4 | 27.7 | -35.7 | 0 | 0 | 0 | 113.9 | L257 P534 L538 | L257-P536 HydrophobicContact CB-CB 4.37Å; L257-P536 HydrophobicContact CB-CG 4.34Å; P534-P536 WeakPolarHBondContact O-CD 3.5Å; P536-L538 PolarHBondContact O-N 3.13Å |
| 537 | R | 88.1 | Confident | 88.4 | Confident | 44 Ų | 44 | 10.9 Ų | 10.9 | 17% | 0.166 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.4 | 175.5 | -59.3 | 177.7 | -57.1 | 165 | 10.1 | 112.6 | D535 S560 L562 L579 W999 | D535-R537 PolarHBondContact O-N 3.26Å; D535-R537 WeakPolarHBondContact OD1-CB 3.42Å; D535-R537 WeakPolarHBondContact OD1-CG 3.2Å; D535-R537 PolarHBondContact OD1-N 2.77Å; D535-R537 IonicContact OD1-NE 3.5Å; D535-R537 PolarHBondContact OD1-NE 2.83Å; D535-R537 IonicContact OD2-CZ 2.7Å; D535-R537 IonicContact OD2-NE 2.68Å; D535-R537 PolarHBondContact OD2-NE 3.09Å; D535-R537 IonicContact OD2-NH2 2.67Å; D535-R537 PolarHBondContact OD2-NH2 3.3Å; R537-S560 WeakPolarHBondContact CG-O 3.3Å; R537-L562 HydrophobicContact CB-CB 4.11Å; R537-L562 HydrophobicContact CB-CD2 4.47Å; R537-L562 HydrophobicContact CG-CB 3.95Å; R537-L579 HydrophobicContact CB-CD1 4.45Å; R537-W999 VanDerWaalsContact NH2-CZ3 3.26Å |
| 538 | L | 89.6 | Confident | 88.6 | Confident | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | trans | -94.9 | 119.5 | -178 | -165.2 | 76.3 | 0 | 0 | 0 | 111.5 | K532 D535 P536 I540 I576 L579 M583 | K532-L538 WeakPolarHBondContact CD-O 3.47Å; K532-L538 WeakPolarHBondContact CE-O 3.28Å; K532-L538 PolarHBondContact NZ-O 3.07Å; D535-L538 PolarHBondContact O-N 3.26Å; D535-L538 VanDerWaalsContact O-N 3.15Å; P536-L538 PolarHBondContact O-N 3.13Å; L538-I540 HydrophobicContact CD1-CD1 4.08Å; L538-I540 HydrophobicContact CD1-CG1 3.93Å; L538-I540 HydrophobicContact CG-CG1 4.1Å; L538-I576 HydrophobicContact CD1-CG2 3.98Å; L538-L579 HydrophobicContact CB-CD1 4.14Å; L538-L579 HydrophobicContact CD1-CB 4.41Å; L538-L579 HydrophobicContact CD2-CB 4.5Å; L538-M583 HydrophobicContact CD2-CE 4.17Å; L538-M583 HydrophobicContact CD2-SD 3.21Å; L538-M583 WeakPolarHBondContact CD2-SD 3.5Å | ||
| 539 | H | 88.8 | Confident | 88.7 | Confident | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | trans | -141.8 | 107.7 | 161 | -167.2 | 150.7 | 0 | 0 | 0 | 109.1 | E165 V167 R262 H530 A554 H555 | E165-H539 VanDerWaalsContact C-CE1 3.44Å; E165-H539 WeakPolarHBondContact CB-CE1 3.35Å; E165-H539 PolarHBondContact O-CE1 3.49Å; E165-H539 PolarHBondContact O-NE2 2.98Å; V167-H539 WeakPolarHBondContact CG1-CE1 3.49Å; R262-H539 PolarHBondContact NH1-CE1 3.23Å; R262-H539 PolarHBondContact NH1-ND1 2.68Å; H530-H539 AromaticContact CE1-NE2 3.2Å; H530-H539 PolarHBondContact CE1-NE2 3.29Å; H530-H539 AromaticContact CG-NE2 3.19Å; H530-H539 AromaticContact ND1-CD2 3.81Å; H530-H539 AromaticContact ND1-NE2 2.41Å; H530-H539 PolarHBondContact ND1-NE2 3.12Å; H539-A554 CarbonylContact O-C 3.6Å; H539-A554 WeakPolarHBondContact O-CA 3.06Å; H539-H555 PolarHBondContact O-N 3.31Å | ||
| 540 | I | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.6 | -178.8 | -58.9 | -77.1 | 0 | 0 | 0 | 110 | H530 L531 L538 L552 C553 A554 I576 L580 | H530-I540 CarbonylContact C-O 3.59Å; H530-I540 WeakPolarHBondContact CA-O 3.15Å; H530-I540 WeakPolarHBondContact CB-O 3.21Å; L531-I540 HydrophobicContact CB-CB 3.97Å; L531-I540 HydrophobicContact CB-CG2 4.37Å; L531-I540 HydrophobicContact CD1-CG2 4.12Å; L531-I540 HydrophobicContact CG-CB 4.43Å; L531-I540 HydrophobicContact CG-CG2 4.28Å; L531-I540 PolarHBondContact N-O 3.26Å; L531-I540 PolarHBondContact O-N 3.32Å; L531-I540 VanDerWaalsContact O-N 3.15Å; L538-I540 HydrophobicContact CD1-CD1 4.08Å; L538-I540 HydrophobicContact CD1-CG1 3.93Å; L538-I540 HydrophobicContact CG-CG1 4.1Å; I540-L552 HydrophobicContact CG2-CB 4.06Å; I540-L552 HydrophobicContact CG2-CD1 4.29Å; I540-L552 HydrophobicContact CG2-CD2 3.72Å; I540-L552 HydrophobicContact CG2-CG 4.25Å; I540-C553 CarbonylContact C-O 3.58Å; I540-C553 WeakPolarHBondContact CA-O 3.41Å; I540-A554 HydrophobicContact CD1-CB 3.63Å; I540-I576 HydrophobicContact CD1-CG2 4.31Å; I540-L580 HydrophobicContact CG1-CD2 4.49Å |
| 541 | L | 90.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 120.7 | 156.6 | 173.7 | 66.4 | 0 | 0 | 0 | 108.4 | Y126 L363 L543 Y546 C553 H555 | Y126-L541 WeakPolarHBondContact OH-CD1 3.34Å; Y126-L541 WeakPolarHBondContact OH-CD2 3.2Å; L363-L541 HydrophobicContact CD1-CD2 4.17Å; L541-L543 HydrophobicContact CD2-CD2 3.63Å; L541-L543 HydrophobicContact CD2-CG 4.37Å; L541-L543 HydrophobicContact CG-CD2 3.99Å; L541-L543 HydrophobicContact CG-CG 4.42Å; L541-L543 PolarHBondContact O-N 3.42Å; L541-Y546 HydrophobicContact CD1-CD2 4.1Å; L541-Y546 HydrophobicContact CD1-CE2 3.6Å; L541-C553 HydrophobicContact CB-CB 4.22Å; L541-C553 PolarHBondContact N-O 2.99Å; L541-C553 PolarHBondContact O-N 3.12Å; L541-H555 WeakPolarHBondContact CB-NE2 3.14Å |
| 542 | N | 91.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | trans | -82.3 | 83.2 | -177.4 | -172.6 | 15 | 0 | 0 | 0 | 110.9 | W524 D525 T526 A528 A529 H544 R545 Y546 L552 | W524-N542 PolarHBondContact NE1-OD1 2.6Å; D525-N542 PolarHBondContact O-ND2 3.26Å; T526-N542 PolarHBondContact O-ND2 3.3Å; A528-N542 VanDerWaalsContact O-CB 3.31Å; A528-N542 WeakPolarHBondContact O-CB 3.28Å; A528-N542 PolarHBondContact O-ND2 3.42Å; A529-N542 WeakPolarHBondContact O-CB 3.46Å; A529-N542 PolarHBondContact O-N 2.97Å; N542-H544 PolarHBondContact O-N 3.31Å; N542-H544 VanDerWaalsContact O-N 3.17Å; N542-H544 VanDerWaalsContact OD1-CB 3.27Å; N542-H544 WeakPolarHBondContact OD1-CB 3.31Å; N542-R545 WeakPolarHBondContact O-CB 3.33Å; N542-R545 PolarHBondContact O-N 3.03Å; N542-R545 VanDerWaalsContact O-N 3.07Å; N542-Y546 WeakPolarHBondContact O-CD2 3.23Å; N542-L552 HydrophobicContact CB-CD2 4.46Å; N542-L552 WeakPolarHBondContact OD1-CD2 3.49Å | ||
| 543 | L | 91 | Very high | 89.6 | Confident | 7 Ų | 7 | 10.8 Ų | 10.8 | 4% | 0.037 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -61.3 | -23.5 | -177.9 | -70.3 | -178.3 | 0 | 0 | 0 | 113.3 | V120 L363 I513 L541 R545 Y546 K548 V551 C553 | V120-L543 HydrophobicContact CG1-CD1 4.31Å; L363-L543 HydrophobicContact CD2-CD2 4.25Å; I513-L543 HydrophobicContact CD1-CD1 4.43Å; L541-L543 HydrophobicContact CD2-CD2 3.63Å; L541-L543 HydrophobicContact CD2-CG 4.37Å; L541-L543 HydrophobicContact CG-CD2 3.99Å; L541-L543 HydrophobicContact CG-CG 4.42Å; L541-L543 PolarHBondContact O-N 3.42Å; L543-R545 VanDerWaalsContact C-N 3.33Å; L543-R545 PolarHBondContact O-N 3.12Å; L543-Y546 CarbonylContact O-C 3.53Å; L543-Y546 PolarHBondContact O-N 2.74Å; L543-K548 CarbonylContact C-O 3.52Å; L543-K548 HydrophobicContact CB-CB 4.12Å; L543-K548 HydrophobicContact CB-CD 4.32Å; L543-K548 HydrophobicContact CD1-CD 4.31Å; L543-K548 HydrophobicContact CD2-CD 4.48Å; L543-K548 WeakPolarHBondContact O-CB 3.27Å; L543-K548 PolarHBondContact O-N 2.94Å; L543-K548 VanDerWaalsContact O-N 3.11Å; L543-V551 CarbonylContact C-O 3.56Å; L543-V551 HydrophobicContact CB-CB 4.1Å; L543-V551 HydrophobicContact CB-CG1 4.12Å; L543-V551 WeakPolarHBondContact CB-O 3.27Å; L543-V551 HydrophobicContact CD1-CG1 3.88Å; L543-V551 PolarHBondContact N-O 3.36Å; L543-C553 HydrophobicContact CD1-CB 3.59Å; L543-C553 HydrophobicContact CG-CB 3.81Å |
| 544 | H | 90.7 | Very high | 89.7 | Confident | 28 Ų | 28 | 10.9 Ų | 10.9 | 13% | 0.13 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | -48.2 | -53.3 | 168 | -168.5 | 131.7 | 0 | 0 | 0 | 111.7 | Y518 W524 T526 N542 Y546 G547 K548 G550 V551 | Y518-H544 AromaticContact CD2-CE1 3.65Å; Y518-H544 AromaticContact CE2-CE1 3.5Å; Y518-H544 VanDerWaalsContact CE2-CE1 3.5Å; Y518-H544 WeakPolarHBondContact CE2-CE1 3.48Å; Y518-H544 AromaticContact CE2-NE2 3.98Å; W524-H544 HydrophobicContact CZ2-CB 4.36Å; T526-H544 WeakPolarHBondContact CG2-CE1 3.28Å; N542-H544 PolarHBondContact O-N 3.31Å; N542-H544 VanDerWaalsContact O-N 3.17Å; N542-H544 VanDerWaalsContact OD1-CB 3.27Å; N542-H544 WeakPolarHBondContact OD1-CB 3.31Å; H544-Y546 PolarHBondContact O-N 3.45Å; H544-Y546 VanDerWaalsContact O-N 3.09Å; H544-G547 PolarHBondContact O-N 2.8Å; H544-G547 VanDerWaalsContact O-N 3.17Å; H544-K548 VanDerWaalsContact CA-O 3.28Å; H544-K548 WeakPolarHBondContact CA-O 3.39Å; H544-K548 PolarHBondContact N-O 3.03Å; H544-G550 PolarHBondContact ND1-N 2.99Å; H544-V551 PolarHBondContact N-O 2.95Å |
| 545 | R | 84.9 | Confident | 89.7 | Confident | 37 Ų | 37 | 10.7 Ų | 10.7 | 14% | 0.14 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -53.8 | -33.9 | 179.2 | -171.6 | -168.3 | -170.6 | 96.8 | 65.1 | 112.3 | L340 G527 A529 N542 L543 G547 | L340-R545 VanDerWaalsContact C-CZ 3.42Å; L340-R545 PolarHBondContact O-NE 3.36Å; L340-R545 PolarHBondContact O-NH1 2.78Å; L340-R545 PolarHBondContact O-NH2 3.04Å; G527-R545 PolarHBondContact O-NH1 3.13Å; G527-R545 PolarHBondContact O-NH2 3.35Å; A529-R545 VanDerWaalsContact N-NH1 3.12Å; N542-R545 WeakPolarHBondContact O-CB 3.33Å; N542-R545 PolarHBondContact O-N 3.03Å; N542-R545 VanDerWaalsContact O-N 3.07Å; L543-R545 VanDerWaalsContact C-N 3.33Å; L543-R545 PolarHBondContact O-N 3.12Å; R545-G547 VanDerWaalsContact C-N 3.3Å; R545-G547 PolarHBondContact O-N 3.2Å |
| 546 | Y | 83.7 | Confident | 89.5 | Confident | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -93.9 | 22.2 | -172.5 | -63 | -64.7 | 0 | 0 | 0 | 113.7 | A151 V152 T153 L363 L541 N542 L543 H544 | A151-Y546 HydrophobicContact CB-CD1 3.63Å; A151-Y546 HydrophobicContact CB-CE1 3.98Å; V152-Y546 WeakPolarHBondContact O-CE1 3.44Å; T153-Y546 PolarHBondContact OG1-OH 2.86Å; L363-Y546 HydrophobicContact CD2-CD1 3.82Å; L363-Y546 HydrophobicContact CD2-CD2 3.54Å; L363-Y546 HydrophobicContact CD2-CE1 4.4Å; L363-Y546 HydrophobicContact CD2-CE2 4.16Å; L363-Y546 HydrophobicContact CD2-CG 3.33Å; L541-Y546 HydrophobicContact CD1-CD2 4.1Å; L541-Y546 HydrophobicContact CD1-CE2 3.6Å; N542-Y546 WeakPolarHBondContact O-CD2 3.23Å; L543-Y546 CarbonylContact O-C 3.53Å; L543-Y546 PolarHBondContact O-N 2.74Å; H544-Y546 PolarHBondContact O-N 3.45Å; H544-Y546 VanDerWaalsContact O-N 3.09Å |
| 547 | G | 82.1 | Confident | 89.2 | Confident | 51 Ų | 51 | 10.2 Ų | 10.2 | 53% | 0.526 | 6% | 0.06 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 24.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | H544 R545 | H544-G547 PolarHBondContact O-N 2.8Å; H544-G547 VanDerWaalsContact O-N 3.17Å; R545-G547 VanDerWaalsContact C-N 3.3Å; R545-G547 PolarHBondContact O-N 3.2Å |
| 548 | K | 87.3 | Confident | 88.2 | Confident | 10 Ų | 10 | 8.3 Ų | 8.3 | 4% | 0.043 | 6% | 0.055 | C | C | . | . | trans | -122.9 | 74.3 | 174.2 | -53.1 | -171.1 | -167.7 | -68.5 | 0 | 109.9 | I118 D119 V120 T365 S366 L543 H544 V551 | I118-K548 HydrophobicContact CG2-CB 3.84Å; I118-K548 HydrophobicContact CG2-CD 4.23Å; I118-K548 HydrophobicContact CG2-CG 4.09Å; D119-K548 WeakPolarHBondContact O-CD 3.48Å; D119-K548 WeakPolarHBondContact O-CE 3.42Å; D119-K548 PolarHBondContact O-NZ 3.45Å; V120-K548 HydrophobicContact CG1-CD 3.96Å; T365-K548 PolarHBondContact O-NZ 2.89Å; S366-K548 PolarHBondContact O-NZ 3.38Å; L543-K548 CarbonylContact C-O 3.52Å; L543-K548 HydrophobicContact CB-CB 4.12Å; L543-K548 HydrophobicContact CB-CD 4.32Å; L543-K548 HydrophobicContact CD1-CD 4.31Å; L543-K548 HydrophobicContact CD2-CD 4.48Å; L543-K548 WeakPolarHBondContact O-CB 3.27Å; L543-K548 PolarHBondContact O-N 2.94Å; L543-K548 VanDerWaalsContact O-N 3.11Å; H544-K548 VanDerWaalsContact CA-O 3.28Å; H544-K548 WeakPolarHBondContact CA-O 3.39Å; H544-K548 PolarHBondContact N-O 3.03Å; K548-V551 HydrophobicContact CB-CB 4.25Å; K548-V551 HydrophobicContact CB-CG2 4.27Å; K548-V551 WeakPolarHBondContact O-CB 3.24Å; K548-V551 PolarHBondContact O-N 3.24Å; K548-V551 VanDerWaalsContact O-N 3.16Å | ||
| 549 | P | 88.5 | Confident | 87 | Confident | 23 Ų | 23 | 10 Ų | 10 | 15% | 0.149 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 139.9 | -168.2 | -27.2 | 37.8 | 0 | 0 | 0 | 113.3 | Y114 I118 Y518 V551 | Y114-P549 HydrophobicContact CD1-CB 4.38Å; Y114-P549 HydrophobicContact CD1-CG 3.7Å; Y114-P549 HydrophobicContact CE1-CG 3.94Å; Y114-P549 HydrophobicContact CG-CG 4.43Å; I118-P549 WeakPolarHBondContact CD1-O 3.29Å; Y518-P549 HydrophobicContact CD1-CB 4.05Å; Y518-P549 HydrophobicContact CD2-CB 4.04Å; Y518-P549 HydrophobicContact CE1-CB 4.35Å; Y518-P549 HydrophobicContact CE2-CB 4.37Å; Y518-P549 HydrophobicContact CG-CB 3.88Å; P549-V551 PolarHBondContact O-N 2.98Å |
| 550 | G | 91 | Very high | 86.3 | Confident | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 6.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | F516 H544 | F516-G550 PolarHBondContact N-O 3.14Å; H544-G550 PolarHBondContact ND1-N 2.99Å |
| 551 | V | 93.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 132.4 | -179.8 | -170.7 | 0 | 0 | 0 | 0 | 111.9 | L45 I118 V120 I513 L514 R515 L543 H544 K548 P549 | L45-V551 HydrophobicContact CD1-CG1 4.38Å; L45-V551 HydrophobicContact CD1-CG2 4.23Å; I118-V551 HydrophobicContact CD1-CG2 3.99Å; I118-V551 HydrophobicContact CG2-CG2 4.26Å; V120-V551 HydrophobicContact CG1-CG1 4.29Å; I513-V551 HydrophobicContact CG2-CG1 3.85Å; L514-V551 WeakPolarHBondContact O-CA 3.43Å; R515-V551 HydrophobicContact CG-CG2 4.38Å; L543-V551 CarbonylContact C-O 3.56Å; L543-V551 HydrophobicContact CB-CB 4.1Å; L543-V551 HydrophobicContact CB-CG1 4.12Å; L543-V551 WeakPolarHBondContact CB-O 3.27Å; L543-V551 HydrophobicContact CD1-CG1 3.88Å; L543-V551 PolarHBondContact N-O 3.36Å; H544-V551 PolarHBondContact N-O 2.95Å; K548-V551 HydrophobicContact CB-CB 4.25Å; K548-V551 HydrophobicContact CB-CG2 4.27Å; K548-V551 WeakPolarHBondContact O-CB 3.24Å; K548-V551 PolarHBondContact O-N 3.24Å; K548-V551 VanDerWaalsContact O-N 3.16Å; P549-V551 PolarHBondContact O-N 2.98Å |
| 552 | L | 95.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 152.6 | 165.4 | -64.9 | -177.1 | 0 | 0 | 0 | 110.3 | L514 F516 W524 L531 I540 N542 L580 | L514-L552 HydrophobicContact CB-CB 4.37Å; L514-L552 PolarHBondContact N-O 2.78Å; L514-L552 PolarHBondContact O-N 3.28Å; F516-L552 HydrophobicContact CE2-CD1 4.08Å; F516-L552 HydrophobicContact CE2-CG 4.34Å; W524-L552 HydrophobicContact CD2-CD1 4.07Å; W524-L552 HydrophobicContact CD2-CD2 4.08Å; W524-L552 HydrophobicContact CD2-CG 4.27Å; W524-L552 VanDerWaalsContact CE2-CD2 3.49Å; W524-L552 HydrophobicContact CE3-CD1 4.11Å; W524-L552 HydrophobicContact CG-CD2 4.37Å; W524-L552 HydrophobicContact CH2-CD1 4.44Å; W524-L552 HydrophobicContact CH2-CG 4.1Å; W524-L552 HydrophobicContact CZ2-CD1 4.39Å; W524-L552 HydrophobicContact CZ2-CD2 3.76Å; W524-L552 HydrophobicContact CZ2-CG 3.78Å; W524-L552 HydrophobicContact CZ3-CD1 4.31Å; W524-L552 HydrophobicContact CZ3-CG 4.45Å; L531-L552 HydrophobicContact CD1-CD2 4.4Å; I540-L552 HydrophobicContact CG2-CB 4.06Å; I540-L552 HydrophobicContact CG2-CD1 4.29Å; I540-L552 HydrophobicContact CG2-CD2 3.72Å; I540-L552 HydrophobicContact CG2-CG 4.25Å; N542-L552 HydrophobicContact CB-CD2 4.46Å; N542-L552 WeakPolarHBondContact OD1-CD2 3.49Å; L552-L580 HydrophobicContact CD1-CD1 4.21Å |
| 553 | C | 95 | Very high | 84.6 | Confident | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.014 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 103.6 | 173.3 | 173.7 | 0 | 0 | 0 | 0 | 109 | V512 I513 I540 L541 L543 H555 | V512-C553 CarbonylContact O-C 3.56Å; V512-C553 WeakPolarHBondContact O-CA 3.42Å; I513-C553 HydrophobicContact CD1-CB 3.92Å; I540-C553 CarbonylContact C-O 3.58Å; I540-C553 WeakPolarHBondContact CA-O 3.41Å; L541-C553 HydrophobicContact CB-CB 4.22Å; L541-C553 PolarHBondContact N-O 2.99Å; L541-C553 PolarHBondContact O-N 3.12Å; L543-C553 HydrophobicContact CD1-CB 3.59Å; L543-C553 HydrophobicContact CG-CB 3.81Å; C553-H555 PolarHBondContact O-CD2 2.97Å |
| 554 | A | 93.9 | Very high | 84.3 | Confident | 2 Ų | 2 | 16.5 Ų | 16.5 | 2% | 0.017 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 143.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | K511 V512 H539 I540 L556 I576 | K511-A554 CarbonylContact C-O 3.52Å; K511-A554 VanDerWaalsContact CA-O 3.28Å; K511-A554 WeakPolarHBondContact CA-O 3.44Å; V512-A554 HydrophobicContact CB-CB 3.97Å; V512-A554 PolarHBondContact N-O 3.06Å; V512-A554 PolarHBondContact O-N 3.28Å; H539-A554 CarbonylContact O-C 3.6Å; H539-A554 WeakPolarHBondContact O-CA 3.06Å; I540-A554 HydrophobicContact CD1-CB 3.63Å; A554-L556 HydrophobicContact CB-CD1 4.49Å; A554-I576 HydrophobicContact CB-CD1 3.79Å; A554-I576 HydrophobicContact CB-CG1 4.45Å; A554-I576 HydrophobicContact CB-CG2 4.23Å |
| 555 | H | 89.4 | Confident | 84 | Confident | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.5 | 174.8 | -65 | -126.5 | 0 | 0 | 0 | 109 | E165 H509 E510 H539 L541 C553 W557 | E165-H555 IonicContact OE1-CE1 2.78Å; E165-H555 PolarHBondContact OE1-CE1 2.85Å; E165-H555 IonicContact OE1-ND1 3.65Å; E165-H555 IonicContact OE1-NE2 3.42Å; E165-H555 IonicContact OE2-CE1 3.52Å; E165-H555 IonicContact OE2-ND1 2.75Å; H509-H555 AromaticContact NE2-CE1 3.98Å; H509-H555 AromaticContact NE2-ND1 3.53Å; E510-H555 WeakPolarHBondContact O-CA 3.49Å; H539-H555 PolarHBondContact O-N 3.31Å; L541-H555 WeakPolarHBondContact CB-NE2 3.14Å; C553-H555 PolarHBondContact O-CD2 2.97Å; H555-W557 HydrophobicContact CB-CZ2 3.56Å; H555-W557 AromaticContact CG-CZ2 3.89Å; H555-W557 AromaticContact ND1-CZ2 3.48Å; H555-W557 WeakPolarHBondContact ND1-CZ2 3.4Å; H555-W557 VanDerWaalsContact O-CD1 3.23Å; H555-W557 PolarHBondContact O-NE1 3.19Å |
| 556 | L | 86.9 | Confident | 84.1 | Confident | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 127.2 | 176.6 | -79 | 58 | 0 | 0 | 0 | 107.6 | H509 E510 V512 A554 L562 I572 I576 | H509-L556 VanDerWaalsContact CA-O 3.29Å; H509-L556 WeakPolarHBondContact CA-O 3.3Å; E510-L556 HydrophobicContact CB-CB 4.19Å; E510-L556 PolarHBondContact N-O 3.47Å; E510-L556 PolarHBondContact O-N 2.72Å; V512-L556 HydrophobicContact CB-CD1 4.42Å; V512-L556 HydrophobicContact CG2-CD1 3.55Å; V512-L556 HydrophobicContact CG2-CD2 4.32Å; A554-L556 HydrophobicContact CB-CD1 4.49Å; L556-L562 HydrophobicContact CD1-CD2 4.4Å; L556-L562 HydrophobicContact CD2-CD2 4.1Å; L556-L562 HydrophobicContact CD2-CG 3.99Å; L556-L562 HydrophobicContact CG-CD2 3.94Å; L556-L562 HydrophobicContact CG-CG 4.11Å; L556-I572 HydrophobicContact CD2-CG2 3.78Å; L556-I576 HydrophobicContact CD1-CD1 4.13Å |
| 557 | W | 78.4 | Confident | 84.4 | Confident | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | trans | -117.9 | 143.6 | -173.4 | -62.4 | 97.1 | 0 | 0 | 0 | 111.3 | E165 R262 A265 Y266 H509 H555 G559 S560 | E165-W557 WeakPolarHBondContact OE2-CZ2 3.22Å; R262-W557 VanDerWaalsContact NH1-NE1 3.12Å; A265-W557 HydrophobicContact CB-CB 3.66Å; A265-W557 HydrophobicContact CB-CD2 4.26Å; A265-W557 HydrophobicContact CB-CE3 3.82Å; A265-W557 HydrophobicContact CB-CG 4.22Å; Y266-W557 HydrophobicContact CE1-CZ3 4.42Å; Y266-W557 HydrophobicContact CE2-CH2 4.23Å; Y266-W557 AromaticContact CE2-CZ3 3.92Å; Y266-W557 HydrophobicContact CE2-CZ3 3.92Å; Y266-W557 AromaticContact CZ-CH2 3.88Å; Y266-W557 AromaticContact CZ-CZ3 3.74Å; Y266-W557 VanDerWaalsContact OH-CH2 3.24Å; Y266-W557 WeakPolarHBondContact OH-CH2 3.45Å; H509-W557 HydrophobicContact CB-CE3 3.87Å; H509-W557 HydrophobicContact CB-CH2 4.43Å; H509-W557 HydrophobicContact CB-CZ3 3.72Å; H509-W557 AromaticContact CD2-CD2 3.99Å; H509-W557 AromaticContact CD2-CE2 3.86Å; H509-W557 AromaticContact CD2-CE3 3.8Å; H509-W557 AromaticContact CD2-CH2 3.43Å; H509-W557 VanDerWaalsContact CD2-CH2 3.43Å; H509-W557 WeakPolarHBondContact CD2-CH2 3.49Å; H509-W557 AromaticContact CD2-CZ2 3.57Å; H509-W557 AromaticContact CD2-CZ3 3.55Å; H509-W557 AromaticContact CE1-CZ3 3.98Å; H509-W557 AromaticContact CG-CE3 3.78Å; H509-W557 AromaticContact CG-CH2 3.55Å; H509-W557 AromaticContact CG-CZ3 3.32Å; H509-W557 AromaticContact ND1-CH2 3.5Å; H509-W557 AromaticContact ND1-CZ3 3.6Å; H509-W557 AromaticContact NE2-CH2 3.81Å; H555-W557 HydrophobicContact CB-CZ2 3.56Å; H555-W557 AromaticContact CG-CZ2 3.89Å; H555-W557 AromaticContact ND1-CZ2 3.48Å; H555-W557 WeakPolarHBondContact ND1-CZ2 3.4Å; H555-W557 VanDerWaalsContact O-CD1 3.23Å; H555-W557 PolarHBondContact O-NE1 3.19Å; W557-G559 PolarHBondContact O-N 2.92Å; W557-S560 VanDerWaalsContact O-CB 3.23Å; W557-S560 WeakPolarHBondContact O-CB 3.43Å; W557-S560 PolarHBondContact O-N 3.2Å; W557-S560 PolarHBondContact O-OG 2.86Å | ||
| 558 | G | 67 | Low | 84.9 | Confident | 5 Ų | 5 | 22.8 Ų | 22.8 | 5% | 0.052 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 121.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | A265 | A265-G558 WeakPolarHBondContact CB-O 3.31Š|
| 559 | G | 65.4 | Low | 85.2 | Confident | 35 Ų | 35 | 23.5 Ų | 23.5 | 36% | 0.361 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | 5.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | S261 W557 G561 | S261-G559 PolarHBondContact OG-O 2.82Å; W557-G559 PolarHBondContact O-N 2.92Å; G559-G561 VanDerWaalsContact C-N 3.33Å |
| 560 | S | 74.1 | Confident | 85.4 | Confident | 5 Ų | 5 | 27.2 Ų | 27.2 | 4% | 0.035 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -78.8 | -15.5 | 170.4 | 65.5 | 0 | 0 | 0 | 0 | 113.9 | R537 W557 L562 | R537-S560 WeakPolarHBondContact CG-O 3.3Å; W557-S560 VanDerWaalsContact O-CB 3.23Å; W557-S560 WeakPolarHBondContact O-CB 3.43Å; W557-S560 PolarHBondContact O-N 3.2Å; W557-S560 PolarHBondContact O-OG 2.86Å; S560-L562 VanDerWaalsContact C-N 3.35Å; S560-L562 PolarHBondContact OG-N 2.76Å |
| 561 | G | 75.1 | Confident | 85.5 | Confident | 46 Ų | 46 | 32 Ų | 32 | 47% | 0.474 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 88.6 | -8.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G559 | G559-G561 VanDerWaalsContact C-N 3.33Š|
| 562 | L | 83 | Confident | 85.5 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | trans | -106.7 | 114.3 | 174.5 | -178 | 55.5 | 0 | 0 | 0 | 110.5 | R537 L556 S560 I575 I576 | R537-L562 HydrophobicContact CB-CB 4.11Å; R537-L562 HydrophobicContact CB-CD2 4.47Å; R537-L562 HydrophobicContact CG-CB 3.95Å; L556-L562 HydrophobicContact CD1-CD2 4.4Å; L556-L562 HydrophobicContact CD2-CD2 4.1Å; L556-L562 HydrophobicContact CD2-CG 3.99Å; L556-L562 HydrophobicContact CG-CD2 3.94Å; L556-L562 HydrophobicContact CG-CG 4.11Å; S560-L562 VanDerWaalsContact C-N 3.35Å; S560-L562 PolarHBondContact OG-N 2.76Å; L562-I575 HydrophobicContact CD1-CD1 3.97Å; L562-I575 HydrophobicContact CD1-CG2 4.49Å; L562-I575 HydrophobicContact CD2-CG2 4.24Å; L562-I576 HydrophobicContact CD2-CG1 4.43Å | ||
| 563 | H | 80.8 | Confident | 85.4 | Confident | 84 Ų | 84 | 32.1 Ų | 32.1 | 39% | 0.389 | 21% | 0.205 | S | C | . | . | trans | -109.5 | 143.8 | 178.3 | -59.6 | 116.2 | 0 | 0 | 0 | 110.6 | A507 R567 | A507-H563 WeakPolarHBondContact CB-CD2 3.37Å; H563-R567 WeakPolarHBondContact O-CD 3.36Å | ||
| 564 | S | 84.1 | Confident | 85.4 | Confident | 7 Ų | 7 | 33.6 Ų | 33.6 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | trans | -82.6 | -38.3 | 178 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | R567 R609 | S564-R567 PolarHBondContact O-N 3.18Å; S564-R609 PolarHBondContact O-NH1 2.88Å | ||
| 565 | A | 84.7 | Confident | 85.3 | Confident | 34 Ų | 34 | 35 Ų | 35 | 28% | 0.281 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 138.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G505 R567 | G505-A565 WeakPolarHBondContact O-CB 3.43Å; A565-R567 PolarHBondContact O-N 3.37Å |
| 566 | G | 86.2 | Confident | 85.6 | Confident | 82 Ų | 82 | 35 Ų | 35 | 85% | 0.845 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | -4.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 567 | R | 89.4 | Confident | 85.9 | Confident | 78 Ų | 78 | 34.9 Ų | 34.9 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -114.4 | 146.3 | 176.4 | -62 | -172.4 | 178.1 | -160.9 | -7.6 | 111.2 | H563 S564 A565 I572 R609 | H563-R567 WeakPolarHBondContact O-CD 3.36Å; S564-R567 PolarHBondContact O-N 3.18Å; A565-R567 PolarHBondContact O-N 3.37Å; R567-I572 HydrophobicContact CB-CD1 4.25Å; R567-I572 HydrophobicContact CB-CG1 4.05Å; R567-R609 PolarHBondContact O-NH1 3.09Å; R567-R609 PolarHBondContact O-NH2 2.8Å |
| 568 | S | 93.1 | Very high | 86.6 | Confident | 54 Ų | 54 | 38.4 Ų | 38.4 | 38% | 0.378 | 24% | 0.238 | S | C | . | . | trans | -70.9 | 158.4 | 168.7 | 71.4 | 0 | 0 | 0 | 0 | 111.8 | K570 E571 I572 | S568-K570 PolarHBondContact O-N 3.24Å; S568-E571 WeakPolarHBondContact CA-OE2 3.35Å; S568-E571 WeakPolarHBondContact CB-OE2 3.3Å; S568-E571 PolarHBondContact N-OE2 3.49Å; S568-E571 PolarHBondContact O-N 3.47Å; S568-E571 WeakPolarHBondContact OG-CG 3.11Å; S568-E571 PolarHBondContact OG-N 3.43Å; S568-E571 PolarHBondContact OG-OE2 3.11Å; S568-I572 WeakPolarHBondContact O-CG1 3.47Å; S568-I572 PolarHBondContact O-N 3.2Å | ||
| 569 | D | 93.6 | Very high | 87.8 | Confident | 26 Ų | 26 | 38.5 Ų | 38.5 | 14% | 0.139 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.7 | -34.4 | 174.9 | -65.5 | -2.8 | 0 | 0 | 0 | 111.7 | V573 Y605 V607 R609 | D569-V573 WeakPolarHBondContact O-CB 3.38Å; D569-V573 WeakPolarHBondContact O-CG2 3.17Å; D569-V573 PolarHBondContact O-N 3.23Å; D569-Y605 HydrophobicContact CB-CD2 4.48Å; D569-Y605 HydrophobicContact CB-CE2 3.89Å; D569-V607 HydrophobicContact CB-CB 4.28Å; D569-V607 HydrophobicContact CB-CG2 3.72Å; D569-R609 IonicContact OD1-CZ 3.31Å; D569-R609 VanDerWaalsContact OD1-CZ 3.31Å; D569-R609 IonicContact OD1-NE 2.7Å; D569-R609 PolarHBondContact OD1-NE 3.02Å; D569-R609 IonicContact OD1-NH2 2.76Å; D569-R609 PolarHBondContact OD1-NH2 3.45Å |
| 570 | K | 93.4 | Very high | 89.2 | Confident | 101 Ų | 101 | 36.9 Ų | 36.9 | 44% | 0.439 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.6 | -46.9 | 179.4 | 174.2 | 161.7 | 170.6 | 51.6 | 0 | 112 | S568 I572 V573 D574 | S568-K570 PolarHBondContact O-N 3.24Å; K570-I572 VanDerWaalsContact C-N 3.28Å; K570-I572 PolarHBondContact O-N 3.44Å; K570-V573 CarbonylContact O-C 3.51Å; K570-V573 PolarHBondContact O-N 3.48Å; K570-V573 VanDerWaalsContact O-N 3.13Å; K570-D574 WeakPolarHBondContact CE-OD2 3.18Å; K570-D574 WeakPolarHBondContact CG-OD2 3.41Å; K570-D574 IonicContact NZ-OD1 3.63Å; K570-D574 PolarHBondContact NZ-OD1 3.32Å; K570-D574 IonicContact NZ-OD2 3.3Å; K570-D574 PolarHBondContact NZ-OD2 3.33Å; K570-D574 PolarHBondContact O-N 2.73Å |
| 571 | E | 93.3 | Very high | 90 | Very high | 99 Ų | 99 | 37.7 Ų | 37.7 | 46% | 0.463 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 179.1 | -70 | 157.7 | 117.8 | 0 | 0 | 111.9 | S568 I575 | S568-E571 WeakPolarHBondContact CA-OE2 3.35Å; S568-E571 WeakPolarHBondContact CB-OE2 3.3Å; S568-E571 PolarHBondContact N-OE2 3.49Å; S568-E571 PolarHBondContact O-N 3.47Å; S568-E571 WeakPolarHBondContact OG-CG 3.11Å; S568-E571 PolarHBondContact OG-N 3.43Å; S568-E571 PolarHBondContact OG-OE2 3.11Å; E571-I575 WeakPolarHBondContact O-CD1 3.22Å; E571-I575 VanDerWaalsContact O-CG1 3.27Å; E571-I575 WeakPolarHBondContact O-CG1 3.22Å; E571-I575 PolarHBondContact O-N 2.39Å; E571-I575 VanDerWaalsContact O-N 3.14Å |
| 572 | I | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -44.6 | 175.2 | -64.9 | 164.3 | 0 | 0 | 0 | 110.7 | V512 L556 R567 S568 K570 I576 V607 | V512-I572 HydrophobicContact CG2-CG2 3.72Å; L556-I572 HydrophobicContact CD2-CG2 3.78Å; R567-I572 HydrophobicContact CB-CD1 4.25Å; R567-I572 HydrophobicContact CB-CG1 4.05Å; S568-I572 WeakPolarHBondContact O-CG1 3.47Å; S568-I572 PolarHBondContact O-N 3.2Å; K570-I572 VanDerWaalsContact C-N 3.28Å; K570-I572 PolarHBondContact O-N 3.44Å; I572-I576 HydrophobicContact CG2-CD1 4.19Å; I572-I576 WeakPolarHBondContact O-CD1 3Å; I572-I576 WeakPolarHBondContact O-CG1 3.42Å; I572-I576 PolarHBondContact O-N 3.38Å; I572-V607 HydrophobicContact CD1-CG1 3.96Å; I572-V607 HydrophobicContact CG2-CG1 4.38Å; I572-V607 HydrophobicContact CG2-CG2 4.45Å |
| 573 | V | 94.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.024 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.1 | -43.6 | 178.9 | 166.1 | 0 | 0 | 0 | 0 | 111.6 | V512 L514 D569 K570 I575 I576 L577 P602 Y605 V607 | V512-V573 HydrophobicContact CG1-CG2 3.76Å; L514-V573 HydrophobicContact CD2-CG1 3.94Å; L514-V573 HydrophobicContact CD2-CG2 4.06Å; D569-V573 WeakPolarHBondContact O-CB 3.38Å; D569-V573 WeakPolarHBondContact O-CG2 3.17Å; D569-V573 PolarHBondContact O-N 3.23Å; K570-V573 CarbonylContact O-C 3.51Å; K570-V573 PolarHBondContact O-N 3.48Å; K570-V573 VanDerWaalsContact O-N 3.13Å; V573-I575 PolarHBondContact O-N 2.88Å; V573-I576 PolarHBondContact O-N 2.95Å; V573-L577 HydrophobicContact CG1-CD1 3.57Å; V573-L577 HydrophobicContact CG1-CG 4.17Å; V573-L577 VanDerWaalsContact O-CG 3.29Å; V573-L577 WeakPolarHBondContact O-CG 3.37Å; V573-L577 PolarHBondContact O-N 2.59Å; V573-P602 HydrophobicContact CG1-CG 4.42Å; V573-Y605 HydrophobicContact CG1-CD1 4.22Å; V573-Y605 HydrophobicContact CG1-CG 4.31Å; V573-Y605 HydrophobicContact CG2-CD1 4.44Å; V573-Y605 HydrophobicContact CG2-CD2 3.73Å; V573-Y605 HydrophobicContact CG2-CE2 4.33Å; V573-Y605 HydrophobicContact CG2-CG 3.8Å; V573-V607 HydrophobicContact CG2-CG2 4.17Å |
| 574 | D | 93.9 | Very high | 91.7 | Very high | 33 Ų | 33 | 35.2 Ų | 35.2 | 18% | 0.176 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 177.8 | -73.7 | -40.5 | 0 | 0 | 0 | 111.1 | K570 I576 L577 D578 R597 | K570-D574 WeakPolarHBondContact CE-OD2 3.18Å; K570-D574 WeakPolarHBondContact CG-OD2 3.41Å; K570-D574 IonicContact NZ-OD1 3.63Å; K570-D574 PolarHBondContact NZ-OD1 3.32Å; K570-D574 IonicContact NZ-OD2 3.3Å; K570-D574 PolarHBondContact NZ-OD2 3.33Å; K570-D574 PolarHBondContact O-N 2.73Å; D574-I576 PolarHBondContact O-N 3.26Å; D574-L577 CarbonylContact O-C 3.53Å; D574-L577 PolarHBondContact O-N 3.03Å; D574-D578 PolarHBondContact O-N 3.44Å; D574-R597 IonicContact OD1-CZ 3.46Å; D574-R597 IonicContact OD1-NH2 2.75Å; D574-R597 PolarHBondContact OD1-NH2 2.71Å |
| 575 | I | 92.5 | Very high | 91.3 | Very high | 30 Ų | 30 | 35.8 Ų | 35.8 | 15% | 0.154 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.4 | -38.7 | 175.8 | -70.3 | 164.9 | 0 | 0 | 0 | 112.2 | L562 E571 V573 L579 | L562-I575 HydrophobicContact CD1-CD1 3.97Å; L562-I575 HydrophobicContact CD1-CG2 4.49Å; L562-I575 HydrophobicContact CD2-CG2 4.24Å; E571-I575 WeakPolarHBondContact O-CD1 3.22Å; E571-I575 VanDerWaalsContact O-CG1 3.27Å; E571-I575 WeakPolarHBondContact O-CG1 3.22Å; E571-I575 PolarHBondContact O-N 2.39Å; E571-I575 VanDerWaalsContact O-N 3.14Å; V573-I575 PolarHBondContact O-N 2.88Å; I575-L579 WeakPolarHBondContact O-CG 3.48Å; I575-L579 PolarHBondContact O-N 2.84Å |
| 576 | I | 94.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72 | -40.4 | 177.6 | -67.2 | 160.9 | 0 | 0 | 0 | 110.7 | V512 L514 L538 I540 A554 L556 L562 I572 V573 D574 L579 L580 | V512-I576 HydrophobicContact CB-CD1 3.82Å; V512-I576 HydrophobicContact CG1-CD1 3.87Å; V512-I576 HydrophobicContact CG2-CD1 3.74Å; L514-I576 HydrophobicContact CD1-CG2 3.93Å; L538-I576 HydrophobicContact CD1-CG2 3.98Å; I540-I576 HydrophobicContact CD1-CG2 4.31Å; A554-I576 HydrophobicContact CB-CD1 3.79Å; A554-I576 HydrophobicContact CB-CG1 4.45Å; A554-I576 HydrophobicContact CB-CG2 4.23Å; L556-I576 HydrophobicContact CD1-CD1 4.13Å; L562-I576 HydrophobicContact CD2-CG1 4.43Å; I572-I576 HydrophobicContact CG2-CD1 4.19Å; I572-I576 WeakPolarHBondContact O-CD1 3Å; I572-I576 WeakPolarHBondContact O-CG1 3.42Å; I572-I576 PolarHBondContact O-N 3.38Å; V573-I576 PolarHBondContact O-N 2.95Å; D574-I576 PolarHBondContact O-N 3.26Å; I576-L579 PolarHBondContact O-N 2.85Å; I576-L580 HydrophobicContact CG2-CD1 3.99Å; I576-L580 VanDerWaalsContact O-CG 3.31Å; I576-L580 WeakPolarHBondContact O-CG 3.34Å; I576-L580 PolarHBondContact O-N 3.19Å |
| 577 | L | 94.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.7 | -36.7 | 178.4 | -68.2 | 170.7 | 0 | 0 | 0 | 112 | L514 F516 V573 D574 L579 L580 D581 I599 P602 | L514-L577 HydrophobicContact CD1-CD2 4.29Å; F516-L577 HydrophobicContact CE1-CD2 4.18Å; F516-L577 HydrophobicContact CZ-CD2 3.85Å; V573-L577 HydrophobicContact CG1-CD1 3.57Å; V573-L577 HydrophobicContact CG1-CG 4.17Å; V573-L577 VanDerWaalsContact O-CG 3.29Å; V573-L577 WeakPolarHBondContact O-CG 3.37Å; V573-L577 PolarHBondContact O-N 2.59Å; D574-L577 CarbonylContact O-C 3.53Å; D574-L577 PolarHBondContact O-N 3.03Å; L577-L579 VanDerWaalsContact C-N 3.34Å; L577-L579 PolarHBondContact O-N 3.08Å; L577-L580 HydrophobicContact CD2-CD1 4.49Å; L577-L580 PolarHBondContact O-N 2.83Å; L577-D581 WeakPolarHBondContact O-CB 3.36Å; L577-D581 PolarHBondContact O-N 2.92Å; L577-I599 HydrophobicContact CB-CD1 4.44Å; L577-I599 HydrophobicContact CD2-CD1 4.11Å; L577-I599 WeakPolarHBondContact O-CD1 3.08Å; L577-P602 HydrophobicContact CD1-CG 4.19Å |
| 578 | D | 92.5 | Very high | 87.9 | Confident | 78 Ų | 78 | 38.9 Ų | 38.9 | 42% | 0.417 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 175.5 | -65.1 | -16.8 | 0 | 0 | 0 | 110.9 | D574 D581 L582 R597 | D574-D578 PolarHBondContact O-N 3.44Å; D578-D581 PolarHBondContact O-N 2.85Å; D578-L582 WeakPolarHBondContact O-CG 3.5Å; D578-L582 PolarHBondContact O-N 2.93Å; D578-R597 WeakPolarHBondContact OD1-CD 3.29Å; D578-R597 IonicContact OD1-NE 3.28Å; D578-R597 PolarHBondContact OD1-NE 2.9Å |
| 579 | L | 92.6 | Very high | 86.1 | Confident | 7 Ų | 7 | 45.6 Ų | 45.6 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.1 | -38.4 | 174.7 | -68.2 | 169.8 | 0 | 0 | 0 | 112.7 | D535 R537 L538 I575 I576 L577 D581 L582 M583 | D535-L579 HydrophobicContact CB-CD1 4.2Å; D535-L579 HydrophobicContact CB-CD2 3.97Å; D535-L579 WeakPolarHBondContact OD2-CD1 3.46Å; D535-L579 WeakPolarHBondContact OD2-CD2 3.43Å; R537-L579 HydrophobicContact CB-CD1 4.45Å; L538-L579 HydrophobicContact CB-CD1 4.14Å; L538-L579 HydrophobicContact CD1-CB 4.41Å; L538-L579 HydrophobicContact CD2-CB 4.5Å; I575-L579 WeakPolarHBondContact O-CG 3.48Å; I575-L579 PolarHBondContact O-N 2.84Å; I576-L579 PolarHBondContact O-N 2.85Å; L577-L579 VanDerWaalsContact C-N 3.34Å; L577-L579 PolarHBondContact O-N 3.08Å; L579-D581 VanDerWaalsContact C-N 3.35Å; L579-L582 PolarHBondContact O-N 2.89Å; L579-M583 VanDerWaalsContact O-CG 3.25Å; L579-M583 WeakPolarHBondContact O-CG 3.41Å; L579-M583 PolarHBondContact O-N 3.23Å |
| 580 | L | 93.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.8 | -36.1 | 173.8 | -71.5 | 169.6 | 0 | 0 | 0 | 111.7 | L514 F523 I540 L552 I576 L577 M583 Y584 I599 | L514-L580 HydrophobicContact CD1-CD1 4.28Å; F523-L580 HydrophobicContact CE2-CB 4.15Å; F523-L580 HydrophobicContact CZ-CB 4.25Å; F523-L580 HydrophobicContact CZ-CD1 4.36Å; I540-L580 HydrophobicContact CG1-CD2 4.49Å; L552-L580 HydrophobicContact CD1-CD1 4.21Å; I576-L580 HydrophobicContact CG2-CD1 3.99Å; I576-L580 VanDerWaalsContact O-CG 3.31Å; I576-L580 WeakPolarHBondContact O-CG 3.34Å; I576-L580 PolarHBondContact O-N 3.19Å; L577-L580 HydrophobicContact CD2-CD1 4.49Å; L577-L580 PolarHBondContact O-N 2.83Å; L580-M583 HydrophobicContact CD2-SD 4.35Å; L580-M583 PolarHBondContact O-N 3.29Å; L580-Y584 HydrophobicContact CD2-CD2 4.41Å; L580-Y584 HydrophobicContact CD2-CE2 4.19Å; L580-Y584 WeakPolarHBondContact O-CB 3.41Å; L580-Y584 WeakPolarHBondContact O-CD2 3.32Å; L580-Y584 PolarHBondContact O-N 2.86Å; L580-I599 HydrophobicContact CB-CD1 3.71Å |
| 581 | D | 92.3 | Very high | 82.4 | Confident | 22 Ų | 22 | 50 Ų | 50 | 12% | 0.118 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.2 | -45.1 | 174.3 | -161.6 | 59.6 | 0 | 0 | 0 | 110.9 | L577 D578 L579 M583 Y584 S585 R597 K598 I599 | L577-D581 WeakPolarHBondContact O-CB 3.36Å; L577-D581 PolarHBondContact O-N 2.92Å; D578-D581 PolarHBondContact O-N 2.85Å; L579-D581 VanDerWaalsContact C-N 3.35Å; D581-M583 VanDerWaalsContact C-N 3.3Å; D581-M583 PolarHBondContact O-N 3.41Å; D581-Y584 PolarHBondContact O-N 2.98Å; D581-S585 VanDerWaalsContact O-CA 3.31Å; D581-S585 WeakPolarHBondContact O-CA 3.23Å; D581-S585 WeakPolarHBondContact O-CB 3.41Å; D581-S585 PolarHBondContact O-N 2.82Å; D581-S585 PolarHBondContact O-OG 2.72Å; D581-S585 VanDerWaalsContact O-OG 3.07Å; D581-R597 HydrophobicContact CB-CB 4.33Å; D581-R597 HydrophobicContact CB-CG 4.19Å; D581-K598 WeakPolarHBondContact OD1-CA 3.36Å; D581-K598 WeakPolarHBondContact OD1-CB 3.49Å; D581-K598 PolarHBondContact OD1-N 2.86Å; D581-K598 PolarHBondContact OD2-N 3.38Å; D581-I599 HydrophobicContact CB-CD1 4.24Å; D581-I599 HydrophobicContact CB-CG1 3.98Å; D581-I599 PolarHBondContact OD1-N 3.5Å |
| 582 | L | 90.9 | Very high | 80.4 | Confident | 78 Ų | 78 | 48.3 Ų | 48.3 | 41% | 0.408 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59 | -39.5 | 173.3 | -72.7 | 174.9 | 0 | 0 | 0 | 112.4 | H175 P178 D578 L579 | H175-L582 HydrophobicContact CB-CB 3.95Å; P178-L582 WeakPolarHBondContact CA-O 3.39Å; P178-L582 WeakPolarHBondContact CB-O 3.38Å; P178-L582 WeakPolarHBondContact CG-O 3.34Å; D578-L582 WeakPolarHBondContact O-CG 3.5Å; D578-L582 PolarHBondContact O-N 2.93Å; L579-L582 PolarHBondContact O-N 2.89Å |
| 583 | M | 91.9 | Very high | 78.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.4 | -37.4 | 176.5 | -73.2 | 168.8 | 68.4 | 0 | 0 | 114.2 | L173 H175 N179 L531 K532 C533 L538 L579 L580 D581 | L173-M583 HydrophobicContact CB-CB 4.37Å; L173-M583 HydrophobicContact CB-CE 4.01Å; L173-M583 HydrophobicContact CB-CG 4.32Å; L173-M583 HydrophobicContact CD1-CB 4.25Å; L173-M583 HydrophobicContact CD1-CE 4.15Å; L173-M583 HydrophobicContact CG-CE 4.32Å; H175-M583 HydrophobicContact CB-CG 4.1Å; N179-M583 PolarHBondContact N-O 3.45Å; L531-M583 HydrophobicContact CB-CE 4.46Å; K532-M583 WeakPolarHBondContact O-CE 3.18Å; C533-M583 HydrophobicContact CB-CE 4.27Å; C533-M583 HydrophobicContact CB-CG 3.83Å; C533-M583 HydrophobicContact CB-SD 3.68Å; L538-M583 HydrophobicContact CD2-CE 4.17Å; L538-M583 HydrophobicContact CD2-SD 3.21Å; L538-M583 WeakPolarHBondContact CD2-SD 3.5Å; L579-M583 VanDerWaalsContact O-CG 3.25Å; L579-M583 WeakPolarHBondContact O-CG 3.41Å; L579-M583 PolarHBondContact O-N 3.23Å; L580-M583 HydrophobicContact CD2-SD 4.35Å; L580-M583 PolarHBondContact O-N 3.29Å; D581-M583 VanDerWaalsContact C-N 3.3Å; D581-M583 PolarHBondContact O-N 3.41Å |
| 584 | Y | 90.3 | Very high | 76.4 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.016 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -118.5 | 0.3 | -166.8 | -69.8 | -75 | 0 | 0 | 0 | 115.2 | L173 F523 W524 L531 L580 D581 K587 | L173-Y584 HydrophobicContact CD1-CD1 3.92Å; L173-Y584 HydrophobicContact CD1-CE1 3.35Å; L173-Y584 HydrophobicContact CD1-CE2 4.05Å; L173-Y584 HydrophobicContact CD1-CG 4.47Å; L173-Y584 VanDerWaalsContact CD1-CZ 3.42Å; F523-Y584 AromaticContact CD2-CD2 3.78Å; F523-Y584 HydrophobicContact CD2-CD2 3.78Å; F523-Y584 AromaticContact CD2-CG 3.79Å; F523-Y584 HydrophobicContact CD2-CG 3.79Å; F523-Y584 AromaticContact CE2-CD2 3.73Å; F523-Y584 HydrophobicContact CE2-CD2 3.73Å; F523-Y584 HydrophobicContact CE2-CE2 4.33Å; F523-Y584 HydrophobicContact CE2-CG 4.21Å; W524-Y584 HydrophobicContact CB-CE1 4.1Å; W524-Y584 HydrophobicContact CB-CE2 3.92Å; L531-Y584 HydrophobicContact CD1-CE2 4.47Å; L580-Y584 HydrophobicContact CD2-CD2 4.41Å; L580-Y584 HydrophobicContact CD2-CE2 4.19Å; L580-Y584 WeakPolarHBondContact O-CB 3.41Å; L580-Y584 WeakPolarHBondContact O-CD2 3.32Å; L580-Y584 PolarHBondContact O-N 2.86Å; D581-Y584 PolarHBondContact O-N 2.98Å; Y584-K587 HydrophobicContact CD1-CD 4.31Å; Y584-K587 PolarHBondContact O-N 3.1Å |
| 585 | S | 76 | Confident | 74.8 | Confident | 18 Ų | 18 | 64.7 Ų | 64.7 | 13% | 0.126 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 140.8 | -176.4 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | P178 N179 D581 | P178-S585 VanDerWaalsContact CB-OG 3.29Å; P178-S585 WeakPolarHBondContact CB-OG 3.39Å; P178-S585 WeakPolarHBondContact CG-OG 3.28Å; N179-S585 PolarHBondContact ND2-O 2.92Å; D581-S585 VanDerWaalsContact O-CA 3.31Å; D581-S585 WeakPolarHBondContact O-CA 3.23Å; D581-S585 WeakPolarHBondContact O-CB 3.41Å; D581-S585 PolarHBondContact O-N 2.82Å; D581-S585 PolarHBondContact O-OG 2.72Å; D581-S585 VanDerWaalsContact O-OG 3.07Å |
| 586 | G | 66.8 | Low | 73.7 | Confident | 63 Ų | 63 | 66.7 Ų | 66.7 | 65% | 0.649 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.9 | -13.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 587 | K | 63.4 | Low | 73 | Confident | 126 Ų | 126 | 67.5 Ų | 67.5 | 55% | 0.548 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -77.7 | -28.1 | 169.1 | -80 | -178.5 | 173.2 | 169 | 0 | 114 | N179 Y584 | N179-K587 WeakPolarHBondContact OD1-CD 3.29Å; N179-K587 WeakPolarHBondContact OD1-CE 3.35Å; N179-K587 WeakPolarHBondContact OD1-CG 2.91Å; N179-K587 PolarHBondContact OD1-NZ 3.44Å; Y584-K587 HydrophobicContact CD1-CD 4.31Å; Y584-K587 PolarHBondContact O-N 3.1Å |
| 588 | Y | 59.8 | Low | 72.5 | Confident | 71 Ų | 71 | 72.7 Ų | 72.7 | 28% | 0.278 | 41% | 0.406 | S | S | . | . | trans | -106.7 | 134.2 | -179.9 | -155.1 | -101.2 | 0 | 0 | 0 | 110.2 | K598 | Y588-K598 VanDerWaalsContact CD1-O 3.28Å; Y588-K598 WeakPolarHBondContact CD1-O 3.38Å | ||
| 589 | K | 55.1 | Low | 72.3 | Confident | 194 Ų | 194 | 69.1 Ų | 69.1 | 84% | 0.843 | 39% | 0.387 | S | S | * | . | trans | -93.8 | 103.5 | 162.7 | -70.7 | -176.4 | 177.7 | -177.5 | 0 | 106.3 | ||||
| 590 | S | 54.8 | Low | 72.2 | Confident | 48 Ų | 48 | 69.5 Ų | 69.5 | 34% | 0.336 | 39% | 0.39 | S | S | . | . | trans | -76.4 | 128.5 | 172.3 | -173.7 | 0 | 0 | 0 | 0 | 109.3 | S592 | S590-S592 PolarHBondContact OG-N 3.01Å; S590-S592 PolarHBondContact OG-O 2.89Å | ||
| 591 | D | 54.2 | Low | 72 | Confident | 172 Ų | 172 | 72.9 Ų | 72.9 | 92% | 0.92 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -86.1 | 8.7 | 166.1 | -65.5 | -32.8 | 0 | 0 | 0 | 111.8 | ||
| 592 | S | 51.2 | Low | 72 | Confident | 63 Ų | 63 | 72.6 Ų | 72.6 | 44% | 0.441 | 41% | 0.407 | S | S | . | . | trans | -130.7 | 119.3 | -176.8 | -176.6 | 0 | 0 | 0 | 0 | 111.5 | S590 V594 | S590-S592 PolarHBondContact OG-N 3.01Å; S590-S592 PolarHBondContact OG-O 2.89Å; S592-V594 VanDerWaalsContact C-N 3.32Å; S592-V594 WeakPolarHBondContact OG-CG2 3.2Å | ||
| 593 | E | 50.1 | Low | 71.9 | Confident | 192 Ų | 192 | 71.5 Ų | 71.5 | 90% | 0.897 | 40% | 0.403 | S | S | * | . | trans | -85.7 | 0.9 | 178.5 | -63.1 | -172.8 | 141.7 | 0 | 0 | 113.5 | S595 | E593-S595 PolarHBondContact O-N 3.36Š| ||
| 594 | V | 54.4 | Low | 71.9 | Confident | 137 Ų | 137 | 72.9 Ų | 72.9 | 83% | 0.83 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -26.9 | -159.4 | -179.1 | 0 | 0 | 0 | 0 | 114.8 | S592 | S592-V594 VanDerWaalsContact C-N 3.32Å; S592-V594 WeakPolarHBondContact OG-CG2 3.2Å |
| 595 | S | 59.5 | Low | 72.1 | Confident | 53 Ų | 53 | 75.2 Ų | 75.2 | 37% | 0.371 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 4 | -177 | 62 | 0 | 0 | 0 | 0 | 115.2 | E593 R597 | E593-S595 PolarHBondContact O-N 3.36Å; S595-R597 PolarHBondContact O-N 3.27Å |
| 596 | G | 69.3 | Low | 73 | Confident | 72 Ų | 72 | 74.5 Ų | 74.5 | 74% | 0.742 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 69.5 | -25.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 597 | R | 79.7 | Confident | 74.3 | Confident | 19 Ų | 19 | 71.5 Ų | 71.5 | 7% | 0.072 | 38% | 0.382 | C | S | . | . | trans | -70.7 | 150.6 | 170.7 | -68.4 | -171 | -100.7 | 99.6 | -6.7 | 111.2 | D574 D578 D581 S595 I599 D601 | D574-R597 IonicContact OD1-CZ 3.46Å; D574-R597 IonicContact OD1-NH2 2.75Å; D574-R597 PolarHBondContact OD1-NH2 2.71Å; D578-R597 WeakPolarHBondContact OD1-CD 3.29Å; D578-R597 IonicContact OD1-NE 3.28Å; D578-R597 PolarHBondContact OD1-NE 2.9Å; D581-R597 HydrophobicContact CB-CB 4.33Å; D581-R597 HydrophobicContact CB-CG 4.19Å; S595-R597 PolarHBondContact O-N 3.27Å; R597-I599 HydrophobicContact CB-CG1 4.45Å; R597-D601 IonicContact CZ-OD1 2.81Å; R597-D601 VanDerWaalsContact CZ-OD1 3.28Å; R597-D601 IonicContact NH1-OD1 3.43Å; R597-D601 PolarHBondContact NH1-OD1 3.35Å; R597-D601 IonicContact NH1-OD2 3.52Å; R597-D601 IonicContact NH2-OD1 3.34Å; R597-D601 PolarHBondContact NH2-OD1 2.81Å | ||
| 598 | K | 83.2 | Confident | 75.7 | Confident | 110 Ų | 110 | 65.5 Ų | 65.5 | 48% | 0.478 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -91.2 | -27.9 | 175.1 | -66.1 | 173.4 | -174.7 | 166.9 | 0 | 112.6 | D581 Y588 | D581-K598 WeakPolarHBondContact OD1-CA 3.36Å; D581-K598 WeakPolarHBondContact OD1-CB 3.49Å; D581-K598 PolarHBondContact OD1-N 2.86Å; D581-K598 PolarHBondContact OD2-N 3.38Å; Y588-K598 VanDerWaalsContact CD1-O 3.28Å; Y588-K598 WeakPolarHBondContact CD1-O 3.38Å |
| 599 | I | 89.5 | Confident | 77.2 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -72.5 | 146.8 | 170.2 | 64.8 | 168.2 | 0 | 0 | 0 | 110.9 | F523 L577 L580 D581 R597 | F523-I599 HydrophobicContact CB-CG2 4.45Å; F523-I599 HydrophobicContact CD1-CB 4.01Å; F523-I599 HydrophobicContact CD1-CG2 4.05Å; F523-I599 HydrophobicContact CD2-CG2 3.83Å; F523-I599 HydrophobicContact CE1-CB 3.99Å; F523-I599 HydrophobicContact CE1-CD1 4.08Å; F523-I599 HydrophobicContact CE1-CG2 4.25Å; F523-I599 HydrophobicContact CE2-CD1 4.21Å; F523-I599 HydrophobicContact CE2-CG2 4.04Å; F523-I599 HydrophobicContact CG-CB 4.32Å; F523-I599 HydrophobicContact CG-CG2 3.84Å; F523-I599 HydrophobicContact CZ-CB 4.27Å; F523-I599 HydrophobicContact CZ-CD1 3.69Å; F523-I599 HydrophobicContact CZ-CG2 4.25Å; L577-I599 HydrophobicContact CB-CD1 4.44Å; L577-I599 HydrophobicContact CD2-CD1 4.11Å; L577-I599 WeakPolarHBondContact O-CD1 3.08Å; L580-I599 HydrophobicContact CB-CD1 3.71Å; D581-I599 HydrophobicContact CB-CD1 4.24Å; D581-I599 HydrophobicContact CB-CG1 3.98Å; D581-I599 PolarHBondContact OD1-N 3.5Å; R597-I599 HydrophobicContact CB-CG1 4.45Å |
| 600 | P | 89.7 | Confident | 78.9 | Confident | 15 Ų | 15 | 55 Ų | 55 | 10% | 0.097 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 152.2 | 175.2 | 28.4 | -35.6 | 0 | 0 | 0 | 112 | F516 H521 F523 | F516-P600 WeakPolarHBondContact CE1-O 3.39Å; H521-P600 HydrophobicContact CB-CB 4.12Å; H521-P600 HydrophobicContact CB-CG 3.52Å; F523-P600 HydrophobicContact CD1-CG 4.31Å |
| 601 | D | 90.1 | Very high | 80.6 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 151.1 | 168.4 | -78 | -56 | 0 | 0 | 0 | 112 | R597 | R597-D601 IonicContact CZ-OD1 2.81Å; R597-D601 VanDerWaalsContact CZ-OD1 3.28Å; R597-D601 IonicContact NH1-OD1 3.43Å; R597-D601 PolarHBondContact NH1-OD1 3.35Å; R597-D601 IonicContact NH1-OD2 3.52Å; R597-D601 IonicContact NH2-OD1 3.34Å; R597-D601 PolarHBondContact NH2-OD1 2.81Å |
| 602 | P | 91.8 | Very high | 82.3 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 10% | 0.104 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 141.2 | 171.3 | 30.6 | -35.3 | 0 | 0 | 0 | 110.4 | L514 R515 F516 V573 L577 Y604 Y605 | L514-P602 HydrophobicContact CB-CB 4.38Å; L514-P602 HydrophobicContact CD2-CG 4.28Å; R515-P602 CarbonylContact O-C 3.54Å; R515-P602 VanDerWaalsContact O-CA 3.3Å; R515-P602 WeakPolarHBondContact O-CA 3.15Å; R515-P602 WeakPolarHBondContact O-CB 3.47Å; F516-P602 HydrophobicContact CD1-CB 4.21Å; F516-P602 HydrophobicContact CE1-CB 3.96Å; F516-P602 HydrophobicContact CZ-CB 4.14Å; V573-P602 HydrophobicContact CG1-CG 4.42Å; L577-P602 HydrophobicContact CD1-CG 4.19Å; P602-Y604 PolarHBondContact O-N 3.48Å; P602-Y605 HydrophobicContact CG-CD1 4.34Å |
| 603 | V | 90.3 | Very high | 84.3 | Confident | 55 Ų | 55 | 44.7 Ų | 44.7 | 33% | 0.333 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -72.4 | -19.4 | 175.5 | -60.3 | 0 | 0 | 0 | 0 | 112.8 | L48 R515 K517 | L48-V603 HydrophobicContact CD2-CG2 3.56Å; R515-V603 HydrophobicContact CB-CG2 4.42Å; R515-V603 HydrophobicContact CG-CG2 4.05Å; R515-V603 VanDerWaalsContact O-CG2 3.29Å; R515-V603 WeakPolarHBondContact O-CG2 3.46Å; R515-V603 PolarHBondContact O-N 2.84Å; K517-V603 HydrophobicContact CB-CG1 4.34Å |
| 604 | Y | 91.7 | Very high | 86.3 | Confident | 29 Ų | 29 | 36.8 Ų | 36.8 | 11% | 0.114 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 142.9 | 174.9 | -177.6 | -90.6 | 0 | 0 | 0 | 109.6 | L45 P46 R515 P602 L606 | L45-Y604 HydrophobicContact CD2-CD1 3.86Å; L45-Y604 HydrophobicContact CD2-CE1 3.63Å; P46-Y604 HydrophobicContact CG-CD2 3.64Å; P46-Y604 HydrophobicContact CG-CE2 4.06Å; P46-Y604 HydrophobicContact CG-CG 3.95Å; R515-Y604 PolarHBondContact N-O 3.45Å; R515-Y604 PolarHBondContact O-N 3.13Å; P602-Y604 PolarHBondContact O-N 3.48Å; Y604-L606 HydrophobicContact CE1-CB 4.01Å |
| 605 | Y | 94.1 | Very high | 88.3 | Confident | 53 Ų | 53 | 32 Ų | 32 | 21% | 0.208 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 159.5 | 171.3 | 60.3 | -100.1 | 0 | 0 | 0 | 111.5 | I513 D569 V573 P602 | I513-Y605 CarbonylContact O-C 3.47Å; I513-Y605 WeakPolarHBondContact O-CA 3.25Å; I513-Y605 WeakPolarHBondContact O-CB 3.38Å; D569-Y605 HydrophobicContact CB-CD2 4.48Å; D569-Y605 HydrophobicContact CB-CE2 3.89Å; V573-Y605 HydrophobicContact CG1-CD1 4.22Å; V573-Y605 HydrophobicContact CG1-CG 4.31Å; V573-Y605 HydrophobicContact CG2-CD1 4.44Å; V573-Y605 HydrophobicContact CG2-CD2 3.73Å; V573-Y605 HydrophobicContact CG2-CE2 4.33Å; V573-Y605 HydrophobicContact CG2-CG 3.8Å; P602-Y605 HydrophobicContact CG-CD1 4.34Å |
| 606 | L | 93.6 | Very high | 89.8 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 132.3 | 173.9 | 178.5 | 159.7 | 0 | 0 | 0 | 109.5 | V43 L64 L122 V512 I513 Y604 T608 | V43-L606 HydrophobicContact CG2-CD1 4.36Å; L64-L606 HydrophobicContact CD1-CD1 3.5Å; L64-L606 VanDerWaalsContact CD1-CD1 3.5Å; L122-L606 HydrophobicContact CD1-CD1 4.18Å; L122-L606 HydrophobicContact CD1-CD2 4Å; L122-L606 HydrophobicContact CD2-CD1 4.3Å; L122-L606 HydrophobicContact CD2-CD2 3.58Å; L122-L606 HydrophobicContact CG-CD2 4.43Å; V512-L606 CarbonylContact C-O 3.59Å; V512-L606 WeakPolarHBondContact CA-O 3.34Å; I513-L606 HydrophobicContact CB-CB 4.46Å; I513-L606 PolarHBondContact N-O 3.17Å; I513-L606 PolarHBondContact O-N 2.81Å; Y604-L606 HydrophobicContact CE1-CB 4.01Å; L606-T608 HydrophobicContact CD2-CG2 4.15Å |
| 607 | V | 94.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.3 | 176.7 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | H61 K511 V512 D569 I572 V573 | H61-V607 PolarHBondContact CE1-O 3.21Å; K511-V607 CarbonylContact O-C 3.56Å; K511-V607 WeakPolarHBondContact O-CA 3.47Å; V512-V607 HydrophobicContact CG1-CG2 4.26Å; V512-V607 HydrophobicContact CG2-CB 4.41Å; V512-V607 HydrophobicContact CG2-CG1 4.03Å; V512-V607 HydrophobicContact CG2-CG2 4.02Å; D569-V607 HydrophobicContact CB-CB 4.28Å; D569-V607 HydrophobicContact CB-CG2 3.72Å; I572-V607 HydrophobicContact CD1-CG1 3.96Å; I572-V607 HydrophobicContact CG2-CG1 4.38Å; I572-V607 HydrophobicContact CG2-CG2 4.45Å; V573-V607 HydrophobicContact CG2-CG2 4.17Å |
| 608 | T | 93 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -81.2 | 152.9 | 171.3 | 72 | 0 | 0 | 0 | 0 | 111.2 | H61 L122 E510 K511 L606 | H61-T608 WeakPolarHBondContact CE1-CA 3.42Å; H61-T608 VanDerWaalsContact NE2-C 3.27Å; L122-T608 HydrophobicContact CB-CG2 4Å; L122-T608 HydrophobicContact CD2-CG2 4.42Å; E510-T608 VanDerWaalsContact CA-OG1 3.28Å; E510-T608 WeakPolarHBondContact CA-OG1 3.36Å; E510-T608 WeakPolarHBondContact CB-O 3.33Å; E510-T608 WeakPolarHBondContact CB-OG1 3.5Å; E510-T608 WeakPolarHBondContact CG-O 3.37Å; E510-T608 VanDerWaalsContact OE2-CB 3.32Å; E510-T608 WeakPolarHBondContact OE2-CB 3.45Å; E510-T608 VanDerWaalsContact OE2-O 3.06Å; E510-T608 PolarHBondContact OE2-OG1 3.28Å; K511-T608 HydrophobicContact CB-CG2 4.17Å; K511-T608 PolarHBondContact N-OG1 3.36Å; K511-T608 PolarHBondContact O-N 2.75Å; L606-T608 HydrophobicContact CD2-CG2 4.15Å | ||
| 609 | R | 92.6 | Very high | 91.3 | Very high | 32 Ų | 32 | 21 Ų | 21 | 12% | 0.121 | 11% | 0.108 | C | C | . | . | trans | -140.6 | 55.9 | -178 | -60.7 | -179.1 | 171.2 | -88.2 | -5.3 | 110.7 | H61 E510 S564 R567 D569 S611 E612 D613 | H61-R609 WeakPolarHBondContact NE2-CA 3.45Å; H61-R609 WeakPolarHBondContact NE2-CB 3.18Å; H61-R609 WeakPolarHBondContact NE2-CG 3.27Å; H61-R609 PolarHBondContact NE2-N 3.33Å; E510-R609 WeakPolarHBondContact OE2-CA 3.33Å; E510-R609 PolarHBondContact OE2-N 2.93Å; E510-R609 VanDerWaalsContact OE2-N 3.09Å; S564-R609 PolarHBondContact O-NH1 2.88Å; R567-R609 PolarHBondContact O-NH1 3.09Å; R567-R609 PolarHBondContact O-NH2 2.8Å; D569-R609 IonicContact OD1-CZ 3.31Å; D569-R609 VanDerWaalsContact OD1-CZ 3.31Å; D569-R609 IonicContact OD1-NE 2.7Å; D569-R609 PolarHBondContact OD1-NE 3.02Å; D569-R609 IonicContact OD1-NH2 2.76Å; D569-R609 PolarHBondContact OD1-NH2 3.45Å; R609-S611 PolarHBondContact O-N 2.99Å; R609-E612 HydrophobicContact CB-CB 4.1Å; R609-E612 HydrophobicContact CB-CG 4.4Å; R609-E612 WeakPolarHBondContact CD-OE1 3.4Å; R609-E612 IonicContact CZ-OE1 3.57Å; R609-E612 IonicContact NE-OE1 3.45Å; R609-E612 IonicContact NH1-OE1 3.55Å; R609-E612 PolarHBondContact NH1-OE1 3.28Å; R609-E612 IonicContact NH1-OE2 2.71Å; R609-E612 PolarHBondContact O-N 3.38Å; R609-D613 WeakPolarHBondContact O-CB 3.4Å; R609-D613 PolarHBondContact O-N 2.82Å | ||
| 610 | W | 91 | Very high | 91 | Very high | 12 Ų | 12 | 22.4 Ų | 22.4 | 5% | 0.045 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -29.3 | -174.2 | -64.3 | 113 | 0 | 0 | 0 | 113.7 | R39 L122 E510 E612 A616 L617 G618 A619 | R39-W610 HydrophobicContact CB-CH2 4.24Å; R39-W610 HydrophobicContact CB-CZ3 4.36Å; R39-W610 HydrophobicContact CG-CD2 4.23Å; R39-W610 HydrophobicContact CG-CE3 3.76Å; R39-W610 HydrophobicContact CG-CH2 3.99Å; R39-W610 HydrophobicContact CG-CZ2 4.43Å; R39-W610 HydrophobicContact CG-CZ3 3.64Å; L122-W610 HydrophobicContact CB-CZ2 4.45Å; E510-W610 WeakPolarHBondContact OE1-CB 3.2Å; E510-W610 PolarHBondContact OE1-N 3.42Å; E510-W610 PolarHBondContact OE2-N 3.28Å; W610-E612 VanDerWaalsContact C-N 3.34Å; W610-A616 HydrophobicContact CE3-CB 3.75Å; W610-A616 HydrophobicContact CZ3-CB 4.39Å; W610-L617 PolarHBondContact O-N 3.5Å; W610-G618 PolarHBondContact O-N 2.69Å; W610-A619 HydrophobicContact CB-CB 4.15Å; W610-A619 HydrophobicContact CG-CB 4.33Å |
| 611 | S | 88.4 | Confident | 90.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -12.2 | 174 | 57.6 | 0 | 0 | 0 | 0 | 115.1 | M501 Q504 G505 S506 T508 R609 | M501-S611 WeakPolarHBondContact CE-O 3.5Å; M501-S611 VanDerWaalsContact SD-CB 3.58Å; Q504-S611 WeakPolarHBondContact CG-O 3.16Å; G505-S611 PolarHBondContact N-O 3.36Å; S506-S611 WeakPolarHBondContact O-CB 3.22Å; S506-S611 PolarHBondContact O-OG 2.73Å; T508-S611 VanDerWaalsContact OG1-CB 3.27Å; T508-S611 WeakPolarHBondContact OG1-CB 3.41Å; T508-S611 PolarHBondContact OG1-OG 3.28Å; R609-S611 PolarHBondContact O-N 2.99Å |
| 612 | E | 91.1 | Very high | 89.7 | Confident | 59 Ų | 59 | 19 Ų | 19 | 28% | 0.276 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -26.3 | 176.5 | -59.6 | 170.3 | -110.9 | 0 | 0 | 111.8 | Q504 R609 W610 | Q504-E612 PolarHBondContact NE2-O 3.41Å; Q504-E612 VanDerWaalsContact NE2-O 3.12Å; R609-E612 HydrophobicContact CB-CB 4.1Å; R609-E612 HydrophobicContact CB-CG 4.4Å; R609-E612 WeakPolarHBondContact CD-OE1 3.4Å; R609-E612 IonicContact CZ-OE1 3.57Å; R609-E612 IonicContact NE-OE1 3.45Å; R609-E612 IonicContact NH1-OE1 3.55Å; R609-E612 PolarHBondContact NH1-OE1 3.28Å; R609-E612 IonicContact NH1-OE2 2.71Å; R609-E612 PolarHBondContact O-N 3.38Å; W610-E612 VanDerWaalsContact C-N 3.34Å |
| 613 | D | 92.2 | Very high | 88.5 | Confident | 7 Ų | 7 | 18.6 Ų | 18.6 | 4% | 0.037 | 9% | 0.094 | C | C | . | . | trans | -59.8 | 116.8 | 174.8 | 177.9 | -39 | 0 | 0 | 0 | 111.1 | R33 R609 F615 A616 L617 | R33-D613 IonicContact CZ-OD1 2.69Å; R33-D613 IonicContact CZ-OD2 2.85Å; R33-D613 IonicContact NH1-OD1 2.85Å; R33-D613 IonicContact NH1-OD2 3.66Å; R33-D613 PolarHBondContact NH1-OD2 3.03Å; R33-D613 IonicContact NH2-OD1 3.19Å; R33-D613 PolarHBondContact NH2-OD1 3.26Å; R33-D613 IonicContact NH2-OD2 3.29Å; R33-D613 PolarHBondContact NH2-OD2 2.75Å; R609-D613 WeakPolarHBondContact O-CB 3.4Å; R609-D613 PolarHBondContact O-N 2.82Å; D613-F615 PolarHBondContact O-N 3.17Å; D613-F615 PolarHBondContact OD1-N 2.78Å; D613-A616 HydrophobicContact CB-CB 4.05Å; D613-A616 PolarHBondContact O-N 3.38Å; D613-A616 VanDerWaalsContact O-N 3.16Å; D613-A616 PolarHBondContact OD1-N 3.44Å; D613-A616 VanDerWaalsContact OD1-N 3.12Å; D613-L617 PolarHBondContact O-N 2.93Å | ||
| 614 | P | 93.8 | Very high | 87.3 | Confident | 26 Ų | 26 | 17 Ų | 17 | 17% | 0.169 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -22.7 | -171.6 | 28.1 | -35.6 | 0 | 0 | 0 | 113.3 | S479 S480 L617 | S479-P614 WeakPolarHBondContact OG-CB 3.35Å; S480-P614 WeakPolarHBondContact CB-O 3.27Å; S480-P614 PolarHBondContact OG-O 3.21Å; P614-L617 WeakPolarHBondContact O-CD1 3.32Å |
| 615 | F | 94.4 | Very high | 85.9 | Confident | 38 Ų | 38 | 19.3 Ų | 19.3 | 17% | 0.167 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 4.9 | -179.4 | -49.2 | -56.7 | 0 | 0 | 0 | 112.5 | A32 R33 D62 V386 D613 | A32-F615 HydrophobicContact CB-CD1 3.56Å; A32-F615 HydrophobicContact CB-CE1 3.73Å; A32-F615 HydrophobicContact CB-CG 3.98Å; A32-F615 HydrophobicContact CB-CZ 4.28Å; R33-F615 HydrophobicContact CG-CB 4.39Å; R33-F615 HydrophobicContact CG-CD2 3.81Å; R33-F615 HydrophobicContact CG-CG 4.35Å; D62-F615 WeakPolarHBondContact OD2-CD2 3.42Å; D62-F615 WeakPolarHBondContact OD2-CE2 3.21Å; V386-F615 HydrophobicContact CG1-CE1 4.24Å; V386-F615 HydrophobicContact CG2-CE1 3.93Å; V386-F615 HydrophobicContact CG2-CZ 3.98Å; D613-F615 PolarHBondContact O-N 3.17Å; D613-F615 PolarHBondContact OD1-N 2.78Å |
| 616 | A | 91.8 | Very high | 84.5 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -53.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P469 W610 D613 G618 | P469-A616 WeakPolarHBondContact CB-O 3.4Å; W610-A616 HydrophobicContact CE3-CB 3.75Å; W610-A616 HydrophobicContact CZ3-CB 4.39Å; D613-A616 HydrophobicContact CB-CB 4.05Å; D613-A616 PolarHBondContact O-N 3.38Å; D613-A616 VanDerWaalsContact O-N 3.16Å; D613-A616 PolarHBondContact OD1-N 3.44Å; D613-A616 VanDerWaalsContact OD1-N 3.12Å; A616-G618 PolarHBondContact O-N 3.48Å |
| 617 | L | 91.6 | Very high | 83.5 | Confident | 4 Ų | 4 | 19.2 Ų | 19.2 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 46.9 | 50.2 | -176.7 | -67.4 | 166.5 | 0 | 0 | 0 | 111.2 | G471 V472 L476 M501 Q504 W610 D613 P614 | G471-L617 WeakPolarHBondContact O-CD1 3.42Å; V472-L617 HydrophobicContact CG2-CD1 4.15Å; L476-L617 HydrophobicContact CB-CD1 4.15Å; L476-L617 HydrophobicContact CB-CD2 4.2Å; M501-L617 HydrophobicContact CE-CB 3.76Å; M501-L617 HydrophobicContact CE-CD2 3.94Å; M501-L617 HydrophobicContact CE-CG 4.48Å; M501-L617 VanDerWaalsContact CE-O 3.27Å; M501-L617 WeakPolarHBondContact CE-O 3.26Å; Q504-L617 HydrophobicContact CB-CD2 4.39Å; Q504-L617 HydrophobicContact CG-CD2 4.01Å; W610-L617 PolarHBondContact O-N 3.5Å; D613-L617 PolarHBondContact O-N 2.93Å; P614-L617 WeakPolarHBondContact O-CD1 3.32Å |
| 618 | G | 87.7 | Confident | 82.5 | Confident | 7 Ų | 7 | 21.5 Ų | 21.5 | 7% | 0.072 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 128.9 | 152.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | W610 A616 | W610-G618 PolarHBondContact O-N 2.69Å; A616-G618 PolarHBondContact O-N 3.48Å |
| 619 | A | 85.2 | Confident | 81.7 | Confident | 10 Ų | 10 | 23 Ų | 23 | 8% | 0.083 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -68.7 | -44.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R39 H509 W610 | R39-A619 WeakPolarHBondContact CD-O 3.25Å; R39-A619 PolarHBondContact NH1-O 3.03Å; H509-A619 HydrophobicContact CB-CB 4.15Å; H509-A619 WeakPolarHBondContact O-CB 3.1Å; W610-A619 HydrophobicContact CB-CB 4.15Å; W610-A619 HydrophobicContact CG-CB 4.33Å |
| 620 | Y | 82 | Confident | 81.2 | Confident | 32 Ų | 32 | 24.1 Ų | 24.1 | 13% | 0.125 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -159.5 | 158.9 | 173.5 | 42.2 | -98.7 | 0 | 0 | 0 | 111.1 | A265 Y266 H509 T622 E696 | A265-Y620 PolarHBondContact O-OH 3.33Å; Y266-Y620 HydrophobicContact CD1-CE2 4.45Å; H509-Y620 HydrophobicContact CB-CE1 3.93Å; H509-Y620 AromaticContact CE1-CE1 3.22Å; H509-Y620 WeakPolarHBondContact CE1-CE1 3.17Å; Y620-T622 HydrophobicContact CD2-CG2 4.27Å; Y620-T622 HydrophobicContact CE2-CG2 4.2Å; Y620-T622 PolarHBondContact O-N 3.4Å; Y620-E696 HydrophobicContact CD2-CB 4.27Å; Y620-E696 HydrophobicContact CD2-CG 3.91Å; Y620-E696 HydrophobicContact CG-CB 4.44Å; Y620-E696 HydrophobicContact CG-CG 4.4Å |
| 621 | T | 81.7 | Confident | 81 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | trans | -65.1 | 97.5 | -178 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | V470 L499 R632 E686 G687 E696 | V470-T621 HydrophobicContact CG1-CG2 3.95Å; V470-T621 WeakPolarHBondContact CG1-OG1 3.1Å; L499-T621 HydrophobicContact CB-CG2 4.08Å; L499-T621 HydrophobicContact CD2-CG2 4.3Å; T621-R632 PolarHBondContact O-NH1 2.68Å; T621-R632 PolarHBondContact O-NH2 3.13Å; T621-E686 PolarHBondContact N-OE1 3.05Å; T621-E686 PolarHBondContact OG1-OE1 2.96Å; T621-G687 WeakPolarHBondContact OG1-CA 3.33Å; T621-E696 WeakPolarHBondContact O-CG 3.39Å | ||
| 622 | T | 70.5 | Confident | 80.8 | Confident | 13 Ų | 13 | 24.4 Ų | 24.4 | 8% | 0.08 | 16% | 0.157 | C | C | . | . | trans | -80.8 | -174.8 | 163.3 | 52.7 | 0 | 0 | 0 | 0 | 110.9 | V267 N268 G500 Y620 | V267-T622 VanDerWaalsContact O-CB 3.26Å; V267-T622 WeakPolarHBondContact O-CB 3.42Å; N268-T622 VanDerWaalsContact OD1-CB 3.29Å; N268-T622 WeakPolarHBondContact OD1-CB 3.04Å; N268-T622 PolarHBondContact OD1-OG1 3.41Å; G500-T622 PolarHBondContact N-O 3.2Å; Y620-T622 HydrophobicContact CD2-CG2 4.27Å; Y620-T622 HydrophobicContact CE2-CG2 4.2Å; Y620-T622 PolarHBondContact O-N 3.4Å | ||
| 623 | G | 66.9 | Low | 80.6 | Confident | 8 Ų | 8 | 24.6 Ų | 24.6 | 8% | 0.082 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -127.3 | 126.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N268 S627 | N268-G623 PolarHBondContact ND2-O 3.18Å; G623-S627 WeakPolarHBondContact CA-OG 3.34Å |
| 624 | E | 65.6 | Low | 80.5 | Confident | 21 Ų | 21 | 26 Ų | 26 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | trans | -72.3 | 168.5 | 177.4 | -68.5 | -53 | 111.9 | 0 | 0 | 111.9 | N268 R498 G500 G626 S627 | N268-E624 PolarHBondContact ND2-OE1 2.82Å; R498-E624 PolarHBondContact O-N 3.37Å; G500-E624 WeakPolarHBondContact O-CG 3.28Å; E624-G626 PolarHBondContact O-N 3.44Å; E624-S627 PolarHBondContact N-OG 3.5Å; E624-S627 WeakPolarHBondContact O-CB 2.93Å; E624-S627 PolarHBondContact O-N 3.17Å; E624-S627 PolarHBondContact O-OG 3.08Å | ||
| 625 | P | 61.6 | Low | 80.4 | Confident | 77 Ų | 77 | 25 Ų | 25 | 50% | 0.5 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45 | 125.8 | 168.6 | -29.1 | 33.8 | 0 | 0 | 0 | 112.8 | R272 | R272-P625 VanDerWaalsContact O-CD 3.25Å; R272-P625 WeakPolarHBondContact O-CD 3.48Å; R272-P625 VanDerWaalsContact O-CG 3.27Å; R272-P625 WeakPolarHBondContact O-CG 3.47Å |
| 626 | G | 64.7 | Low | 80.2 | Confident | 45 Ų | 45 | 24 Ų | 24 | 46% | 0.464 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -3.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116 | P274 E624 | P274-G626 VanDerWaalsContact CB-N 3.31Å; E624-G626 PolarHBondContact O-N 3.44Å |
| 627 | S | 73.2 | Confident | 80.3 | Confident | 10 Ų | 10 | 28.6 Ų | 28.6 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | trans | -75.1 | 159 | 177.3 | 69 | 0 | 0 | 0 | 0 | 114.1 | C276 R498 G623 E624 | C276-S627 PolarHBondContact SG-O 3.39Å; R498-S627 WeakPolarHBondContact O-CB 3.42Å; G623-S627 WeakPolarHBondContact CA-OG 3.34Å; E624-S627 PolarHBondContact N-OG 3.5Å; E624-S627 WeakPolarHBondContact O-CB 2.93Å; E624-S627 PolarHBondContact O-N 3.17Å; E624-S627 PolarHBondContact O-OG 3.08Å | ||
| 628 | S | 72.9 | Confident | 80.4 | Confident | 48 Ų | 48 | 29.4 Ų | 29.4 | 34% | 0.336 | 19% | 0.19 | S | C | . | . | trans | -156.8 | 175.3 | -176 | 69.1 | 0 | 0 | 0 | 0 | 113.3 | A630 D631 | S628-A630 PolarHBondContact O-N 3.49Å; S628-A630 WeakPolarHBondContact OG-CB 3.36Å; S628-A630 PolarHBondContact OG-N 2.78Å; S628-A630 VanDerWaalsContact OG-N 3.11Å; S628-D631 PolarHBondContact N-OD2 3.28Å; S628-D631 PolarHBondContact O-N 2.96Å; S628-D631 PolarHBondContact OG-OD2 3.08Å | ||
| 629 | D | 76.9 | Confident | 80.7 | Confident | 32 Ų | 32 | 29.5 Ų | 29.5 | 17% | 0.171 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.2 | -24.4 | 166.2 | -92.8 | -6.2 | 0 | 0 | 0 | 112.8 | R632 L633 T690 A691 K695 | D629-R632 PolarHBondContact O-N 2.86Å; D629-L633 WeakPolarHBondContact O-CG 3.16Å; D629-L633 PolarHBondContact O-N 3.14Å; D629-L633 VanDerWaalsContact O-N 3.09Å; D629-T690 HydrophobicContact CB-CG2 4.02Å; D629-T690 VanDerWaalsContact CG-CB 3.47Å; D629-T690 VanDerWaalsContact OD1-CA 3.29Å; D629-T690 WeakPolarHBondContact OD1-CA 3.47Å; D629-T690 WeakPolarHBondContact OD1-CB 3.17Å; D629-T690 WeakPolarHBondContact OD2-CB 3.33Å; D629-A691 PolarHBondContact OD1-N 3.37Å; D629-A691 PolarHBondContact OD2-N 3.06Å; D629-K695 WeakPolarHBondContact OD1-CE 3.35Å; D629-K695 IonicContact OD1-NZ 2.79Å; D629-K695 PolarHBondContact OD1-NZ 2.91Å |
| 630 | A | 82.3 | Confident | 81.1 | Confident | 56 Ų | 56 | 30.1 Ų | 30.1 | 46% | 0.463 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.5 | -38.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S628 R632 L633 V634 | S628-A630 PolarHBondContact O-N 3.49Å; S628-A630 WeakPolarHBondContact OG-CB 3.36Å; S628-A630 PolarHBondContact OG-N 2.78Å; S628-A630 VanDerWaalsContact OG-N 3.11Å; A630-R632 VanDerWaalsContact C-N 3.31Å; A630-R632 PolarHBondContact O-N 3.02Å; A630-L633 WeakPolarHBondContact O-CB 3.27Å; A630-L633 PolarHBondContact O-N 2.75Å; A630-V634 WeakPolarHBondContact O-CG2 3.46Å; A630-V634 PolarHBondContact O-N 3.16Å |
| 631 | D | 86.1 | Confident | 81.3 | Confident | 9 Ų | 9 | 28.6 Ų | 28.6 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.6 | -40.4 | 176.5 | -58.6 | -76.6 | 0 | 0 | 0 | 111.4 | A495 R498 L499 S628 V634 Y635 | A495-D631 HydrophobicContact CB-CB 4.01Å; R498-D631 IonicContact CZ-OD1 2.71Å; R498-D631 IonicContact NE-OD1 3.68Å; R498-D631 PolarHBondContact NE-OD1 3.22Å; R498-D631 IonicContact NE-OD2 2.82Å; R498-D631 IonicContact NH2-OD1 3.76Å; R498-D631 PolarHBondContact NH2-OD1 2.78Å; L499-D631 HydrophobicContact CD1-CB 4.01Å; L499-D631 HydrophobicContact CD2-CB 4.39Å; L499-D631 HydrophobicContact CG-CB 4.14Å; S628-D631 PolarHBondContact N-OD2 3.28Å; S628-D631 PolarHBondContact O-N 2.96Å; S628-D631 PolarHBondContact OG-OD2 3.08Å; D631-V634 PolarHBondContact O-N 3.17Å; D631-Y635 WeakPolarHBondContact O-CB 3.25Å; D631-Y635 PolarHBondContact O-N 3.41Å |
| 632 | R | 85.3 | Confident | 81.6 | Confident | 8 Ų | 8 | 32 Ų | 32 | 3% | 0.03 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.4 | -34.8 | 178.4 | -61.5 | -167.9 | -172.5 | -152.8 | 7.8 | 112.6 | L499 T621 D629 A630 Y635 S636 G687 L689 E696 | L499-R632 HydrophobicContact CD1-CG 3.73Å; L499-R632 HydrophobicContact CD2-CG 3.65Å; L499-R632 HydrophobicContact CG-CG 4.37Å; T621-R632 PolarHBondContact O-NH1 2.68Å; T621-R632 PolarHBondContact O-NH2 3.13Å; D629-R632 PolarHBondContact O-N 2.86Å; A630-R632 VanDerWaalsContact C-N 3.31Å; A630-R632 PolarHBondContact O-N 3.02Å; R632-Y635 PolarHBondContact O-N 3.42Å; R632-S636 WeakPolarHBondContact O-CB 3.4Å; R632-S636 PolarHBondContact O-N 3.07Å; R632-G687 WeakPolarHBondContact CD-O 3.32Å; R632-G687 WeakPolarHBondContact CG-O 3.35Å; R632-L689 WeakPolarHBondContact CD-O 3.25Å; R632-E696 IonicContact CZ-OE1 2.83Å; R632-E696 IonicContact NH1-OE1 3.18Å; R632-E696 PolarHBondContact NH1-OE1 3.41Å; R632-E696 IonicContact NH2-OE1 2.69Å; R632-E696 PolarHBondContact NH2-OE1 3.33Å |
| 633 | L | 85.8 | Confident | 82.6 | Confident | 64 Ų | 64 | 33.6 Ų | 33.6 | 34% | 0.335 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.4 | -50.1 | 168.5 | -70.4 | 173.7 | 0 | 0 | 0 | 110.9 | D629 A630 Y635 S636 L637 T690 | D629-L633 WeakPolarHBondContact O-CG 3.16Å; D629-L633 PolarHBondContact O-N 3.14Å; D629-L633 VanDerWaalsContact O-N 3.09Å; A630-L633 WeakPolarHBondContact O-CB 3.27Å; A630-L633 PolarHBondContact O-N 2.75Å; L633-Y635 VanDerWaalsContact C-N 3.34Å; L633-Y635 PolarHBondContact O-N 2.92Å; L633-S636 WeakPolarHBondContact O-CB 3.46Å; L633-S636 PolarHBondContact O-N 3.45Å; L633-S636 VanDerWaalsContact O-N 3.14Å; L633-S636 PolarHBondContact O-OG 2.78Å; L633-L637 WeakPolarHBondContact O-CG 3.4Å; L633-L637 PolarHBondContact O-N 3.19Å; L633-T690 HydrophobicContact CD1-CG2 4.41Å; L633-T690 HydrophobicContact CD2-CG2 3.77Å; L633-T690 HydrophobicContact CG-CG2 3.8Å |
| 634 | V | 90.7 | Very high | 83.8 | Confident | 37 Ų | 37 | 33.2 Ų | 33.2 | 22% | 0.224 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 178 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | N491 K492 A495 A630 D631 S636 L637 | N491-V634 HydrophobicContact CB-CG1 4.46Å; K492-V634 HydrophobicContact CB-CG1 4.34Å; K492-V634 PolarHBondContact NZ-O 3.06Å; A495-V634 HydrophobicContact CB-CB 3.96Å; A495-V634 HydrophobicContact CB-CG1 3.82Å; A630-V634 WeakPolarHBondContact O-CG2 3.46Å; A630-V634 PolarHBondContact O-N 3.16Å; D631-V634 PolarHBondContact O-N 3.17Å; V634-S636 VanDerWaalsContact C-N 3.35Å; V634-S636 PolarHBondContact O-N 2.91Å; V634-L637 PolarHBondContact O-N 3.34Å |
| 635 | Y | 91.6 | Very high | 84.8 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -45.7 | 173.4 | 178.8 | -156.5 | 0 | 0 | 0 | 110.8 | V470 L473 K492 I496 L499 D631 R632 L633 L637 F683 T688 | V470-Y635 HydrophobicContact CB-CE1 4.35Å; V470-Y635 HydrophobicContact CG2-CE1 4.34Å; L473-Y635 HydrophobicContact CD1-CE2 3.44Å; L473-Y635 VanDerWaalsContact CD1-CE2 3.44Å; L473-Y635 WeakPolarHBondContact CD1-OH 3.26Å; K492-Y635 PolarHBondContact NZ-O 3.02Å; I496-Y635 HydrophobicContact CD1-CD2 4.28Å; I496-Y635 HydrophobicContact CD1-CE2 4.48Å; I496-Y635 HydrophobicContact CG1-CD2 3.93Å; I496-Y635 HydrophobicContact CG1-CE2 4.31Å; I496-Y635 HydrophobicContact CG1-CG 4.41Å; L499-Y635 HydrophobicContact CD1-CD1 4.05Å; L499-Y635 HydrophobicContact CD1-CG 4.47Å; D631-Y635 WeakPolarHBondContact O-CB 3.25Å; D631-Y635 PolarHBondContact O-N 3.41Å; R632-Y635 PolarHBondContact O-N 3.42Å; L633-Y635 VanDerWaalsContact C-N 3.34Å; L633-Y635 PolarHBondContact O-N 2.92Å; Y635-L637 VanDerWaalsContact C-N 3.27Å; Y635-L637 PolarHBondContact O-N 3.27Å; Y635-F683 HydrophobicContact CD2-CB 4.49Å; Y635-F683 HydrophobicContact CD2-CD1 4.44Å; Y635-F683 HydrophobicContact CE2-CB 4.33Å; Y635-F683 HydrophobicContact CE2-CD1 4Å; Y635-F683 WeakPolarHBondContact O-CB 3.5Å; Y635-T688 HydrophobicContact CD1-CG2 3.69Å; Y635-T688 HydrophobicContact CD2-CG2 4.22Å; Y635-T688 HydrophobicContact CE1-CG2 3.56Å; Y635-T688 HydrophobicContact CE2-CG2 4.07Å; Y635-T688 HydrophobicContact CG-CG2 4.02Å |
| 636 | S | 90.9 | Very high | 86.1 | Confident | 19 Ų | 19 | 35.5 Ų | 35.5 | 13% | 0.133 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.6 | -18.2 | 180 | 84 | 0 | 0 | 0 | 0 | 115.9 | R632 L633 V634 S638 T688 R708 | R632-S636 WeakPolarHBondContact O-CB 3.4Å; R632-S636 PolarHBondContact O-N 3.07Å; L633-S636 WeakPolarHBondContact O-CB 3.46Å; L633-S636 PolarHBondContact O-N 3.45Å; L633-S636 VanDerWaalsContact O-N 3.14Å; L633-S636 PolarHBondContact O-OG 2.78Å; V634-S636 VanDerWaalsContact C-N 3.35Å; V634-S636 PolarHBondContact O-N 2.91Å; S636-S638 PolarHBondContact O-N 3.42Å; S636-T688 WeakPolarHBondContact CB-O 3.28Å; S636-R708 PolarHBondContact O-NH1 2.96Å |
| 637 | L | 92.1 | Very high | 87.3 | Confident | 96 Ų | 96 | 34.7 Ų | 34.7 | 50% | 0.503 | 20% | 0.196 | S | C | . | . | trans | -64.7 | 130.9 | -175.7 | -68.3 | 177.1 | 0 | 0 | 0 | 111.6 | K492 L633 V634 Y635 F683 | K492-L637 WeakPolarHBondContact CE-O 3.42Å; K492-L637 PolarHBondContact NZ-O 2.57Å; L633-L637 WeakPolarHBondContact O-CG 3.4Å; L633-L637 PolarHBondContact O-N 3.19Å; V634-L637 PolarHBondContact O-N 3.34Å; Y635-L637 VanDerWaalsContact C-N 3.27Å; Y635-L637 PolarHBondContact O-N 3.27Å; L637-F683 WeakPolarHBondContact O-CD2 3.02Å | ||
| 638 | S | 94 | Very high | 88 | Confident | 21 Ų | 21 | 35.9 Ų | 35.9 | 15% | 0.147 | 20% | 0.202 | C | C | . | . | trans | -70.3 | 147.3 | 167.1 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | S636 L681 E711 | S636-S638 PolarHBondContact O-N 3.42Å; S638-L681 CarbonylContact C-O 3.53Å; S638-L681 WeakPolarHBondContact CA-O 3.49Å; S638-E711 WeakPolarHBondContact CB-OE1 3.29Å; S638-E711 PolarHBondContact OG-OE1 3.25Å | ||
| 639 | L | 94.7 | Very high | 88.6 | Confident | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 145.4 | 174.2 | -57 | 176.2 | 0 | 0 | 0 | 110 | W392 L488 P489 K492 D643 R680 L681 F683 | W392-L639 HydrophobicContact CH2-CB 3.98Å; W392-L639 HydrophobicContact CH2-CD1 3.83Å; W392-L639 HydrophobicContact CH2-CG 4.48Å; W392-L639 HydrophobicContact CZ2-CD1 4.2Å; W392-L639 HydrophobicContact CZ3-CB 3.75Å; W392-L639 HydrophobicContact CZ3-CD1 4.34Å; L488-L639 HydrophobicContact CD2-CD1 3.69Å; P489-L639 HydrophobicContact CG-CD1 4.31Å; P489-L639 HydrophobicContact CG-CD2 3.92Å; K492-L639 HydrophobicContact CD-CD1 4.24Å; L639-D643 HydrophobicContact CB-CB 4.21Å; L639-D643 HydrophobicContact CD2-CB 4.33Å; L639-R680 PolarHBondContact O-N 3.37Å; L639-L681 HydrophobicContact CB-CB 4.3Å; L639-L681 PolarHBondContact N-O 2.97Å; L639-L681 PolarHBondContact O-N 3.33Å; L639-L681 VanDerWaalsContact O-N 3.11Å; L639-F683 HydrophobicContact CD1-CE2 4.07Å; L639-F683 HydrophobicContact CD1-CZ 4.49Å; L639-F683 HydrophobicContact CG-CE2 4.2Å |
| 640 | T | 92.9 | Very high | 88.7 | Confident | 24 Ų | 24 | 41.6 Ų | 41.6 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 177 | -169.7 | 67.7 | 0 | 0 | 0 | 0 | 112.2 | W392 L642 D643 A644 L676 I678 | W392-T640 WeakPolarHBondContact CZ3-O 3.47Å; T640-L642 PolarHBondContact O-N 2.79Å; T640-L642 PolarHBondContact OG1-N 3.15Å; T640-D643 WeakPolarHBondContact CB-OD2 3.33Å; T640-D643 PolarHBondContact N-OD2 2.89Å; T640-D643 PolarHBondContact O-N 3.43Å; T640-D643 PolarHBondContact OG1-N 2.86Å; T640-D643 PolarHBondContact OG1-OD2 3.29Å; T640-A644 PolarHBondContact O-N 3.45Å; T640-L676 VanDerWaalsContact CB-O 3.28Å; T640-L676 WeakPolarHBondContact CB-O 3.12Å; T640-L676 PolarHBondContact OG1-O 3.26Å; T640-I678 WeakPolarHBondContact CA-O 3.42Å; T640-I678 WeakPolarHBondContact CB-O 3.27Å |
| 641 | G | 86.9 | Confident | 88 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62 | -29.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A395 G396 K645 L676 | A395-G641 WeakPolarHBondContact O-CA 3.42Å; G396-G641 VanDerWaalsContact CA-O 3.28Å; G396-G641 WeakPolarHBondContact CA-O 3.35Å; G641-K645 WeakPolarHBondContact O-CB 3.23Å; G641-K645 PolarHBondContact O-N 2.85Å; G641-K645 VanDerWaalsContact O-N 3.14Å; G641-L676 WeakPolarHBondContact CA-O 3.14Å; G641-L676 PolarHBondContact N-O 3.05Å |
| 642 | L | 88.3 | Confident | 86.8 | Confident | 73 Ų | 73 | 47.7 Ų | 47.7 | 38% | 0.382 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 173.4 | -177.2 | 59.2 | 0 | 0 | 0 | 111.8 | T640 K645 N646 L676 | T640-L642 PolarHBondContact O-N 2.79Å; T640-L642 PolarHBondContact OG1-N 3.15Å; L642-K645 PolarHBondContact O-N 2.65Å; L642-N646 WeakPolarHBondContact O-CB 3.5Å; L642-N646 PolarHBondContact O-N 3.35Å; L642-N646 PolarHBondContact O-ND2 3.48Å; L642-L676 HydrophobicContact CB-CB 4.23Å; L642-L676 PolarHBondContact N-O 3.13Å |
| 643 | D | 91.9 | Very high | 85.5 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 25% | 0.246 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 178.7 | -61.5 | -71.3 | 0 | 0 | 0 | 111.5 | W392 L639 T640 N646 Q647 | W392-D643 HydrophobicContact CH2-CB 3.87Å; W392-D643 HydrophobicContact CZ3-CB 4.05Å; L639-D643 HydrophobicContact CB-CB 4.21Å; L639-D643 HydrophobicContact CD2-CB 4.33Å; T640-D643 WeakPolarHBondContact CB-OD2 3.33Å; T640-D643 PolarHBondContact N-OD2 2.89Å; T640-D643 PolarHBondContact O-N 3.43Å; T640-D643 PolarHBondContact OG1-N 2.86Å; T640-D643 PolarHBondContact OG1-OD2 3.29Å; D643-N646 PolarHBondContact O-N 3.27Å; D643-Q647 PolarHBondContact O-N 2.79Å |
| 644 | A | 91 | Very high | 83.9 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.8 | -49.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | W392 P486 T640 N646 Q647 L648 | W392-A644 HydrophobicContact CD2-CB 4.16Å; W392-A644 HydrophobicContact CE3-CB 3.67Å; W392-A644 HydrophobicContact CH2-CB 4.08Å; W392-A644 HydrophobicContact CZ3-CB 3.65Å; P486-A644 HydrophobicContact CG-CB 4.36Å; T640-A644 PolarHBondContact O-N 3.45Å; A644-N646 VanDerWaalsContact C-N 3.25Å; A644-N646 PolarHBondContact O-N 3.44Å; A644-Q647 PolarHBondContact O-N 3.13Å; A644-L648 WeakPolarHBondContact O-CG 3.34Å; A644-L648 PolarHBondContact O-N 3.36Å; A644-L648 VanDerWaalsContact O-N 3.08Å |
| 645 | K | 87.6 | Confident | 81.9 | Confident | 81 Ų | 81 | 63.8 Ų | 63.8 | 35% | 0.352 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.9 | -32.5 | 178.9 | -171.1 | 173.3 | -173.7 | 172.3 | 0 | 112.6 | G641 L642 K649 | G641-K645 WeakPolarHBondContact O-CB 3.23Å; G641-K645 PolarHBondContact O-N 2.85Å; G641-K645 VanDerWaalsContact O-N 3.14Å; L642-K645 PolarHBondContact O-N 2.65Å; K645-K649 WeakPolarHBondContact O-CG 3.49Å; K645-K649 PolarHBondContact O-N 3.02Å |
| 646 | N | 88.9 | Confident | 79.4 | Confident | 64 Ų | 64 | 67.9 Ų | 67.9 | 34% | 0.342 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -74.2 | -38.3 | 176.9 | -72.5 | -17.4 | 0 | 0 | 0 | 112.3 | L642 D643 A644 K649 I650 | L642-N646 WeakPolarHBondContact O-CB 3.5Å; L642-N646 PolarHBondContact O-N 3.35Å; L642-N646 PolarHBondContact O-ND2 3.48Å; D643-N646 PolarHBondContact O-N 3.27Å; A644-N646 VanDerWaalsContact C-N 3.25Å; A644-N646 PolarHBondContact O-N 3.44Å; N646-K649 PolarHBondContact O-N 3.14Å; N646-I650 WeakPolarHBondContact O-CG1 3.28Å; N646-I650 PolarHBondContact O-N 2.98Å |
| 647 | Q | 89.7 | Confident | 76.5 | Confident | 28 Ų | 28 | 76.9 Ų | 76.9 | 13% | 0.131 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.5 | -43.3 | 176.7 | -64.7 | -56 | -32.1 | 0 | 0 | 112.3 | P486 P489 D643 A644 K649 I650 E651 | P486-Q647 HydrophobicContact CB-CB 3.73Å; P486-Q647 HydrophobicContact CG-CB 3.91Å; P489-Q647 HydrophobicContact CG-CG 4.34Å; D643-Q647 PolarHBondContact O-N 2.79Å; A644-Q647 PolarHBondContact O-N 3.13Å; Q647-K649 PolarHBondContact O-N 3.03Å; Q647-I650 WeakPolarHBondContact O-CA 3.47Å; Q647-I650 WeakPolarHBondContact O-CB 3.45Å; Q647-I650 PolarHBondContact O-N 2.88Å; Q647-E651 PolarHBondContact O-N 2.88Å |
| 648 | L | 87.2 | Confident | 73.7 | Confident | 35 Ų | 35 | 78.8 Ų | 78.8 | 18% | 0.183 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.9 | -34 | 174.4 | -68.8 | 165.8 | 0 | 0 | 0 | 112.8 | Y485 P486 A644 Q652 | Y485-L648 HydrophobicContact CE2-CD2 4.39Å; P486-L648 HydrophobicContact CB-CD2 4.01Å; P486-L648 HydrophobicContact CB-CG 4.07Å; P486-L648 HydrophobicContact CG-CD2 4.36Å; P486-L648 HydrophobicContact CG-CG 4.05Å; A644-L648 WeakPolarHBondContact O-CG 3.34Å; A644-L648 PolarHBondContact O-N 3.36Å; A644-L648 VanDerWaalsContact O-N 3.08Å; L648-Q652 WeakPolarHBondContact O-CB 3.33Å; L648-Q652 VanDerWaalsContact O-CG 3.28Å; L648-Q652 WeakPolarHBondContact O-CG 3.19Å; L648-Q652 PolarHBondContact O-N 3.35Å |
| 649 | K | 85.2 | Confident | 70.7 | Confident | 113 Ų | 113 | 83.8 Ų | 83.8 | 49% | 0.491 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -71.6 | -27.3 | 174.7 | -78.4 | 175.9 | 174.3 | -173.3 | 0 | 113.9 | K645 N646 Q647 K653 | K645-K649 WeakPolarHBondContact O-CG 3.49Å; K645-K649 PolarHBondContact O-N 3.02Å; N646-K649 PolarHBondContact O-N 3.14Å; Q647-K649 PolarHBondContact O-N 3.03Å; K649-K653 WeakPolarHBondContact O-CG 3.23Å; K649-K653 PolarHBondContact O-N 2.81Å |
| 650 | I | 79.2 | Confident | 67.7 | Low | 87 Ų | 87 | 89.5 Ų | 89.5 | 45% | 0.446 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -76 | -48.4 | 176.3 | -67.9 | 164.3 | 0 | 0 | 0 | 108.4 | N646 Q647 Q652 K653 E654 | N646-I650 WeakPolarHBondContact O-CG1 3.28Å; N646-I650 PolarHBondContact O-N 2.98Å; Q647-I650 WeakPolarHBondContact O-CA 3.47Å; Q647-I650 WeakPolarHBondContact O-CB 3.45Å; Q647-I650 PolarHBondContact O-N 2.88Å; I650-Q652 VanDerWaalsContact C-N 3.35Å; I650-Q652 PolarHBondContact O-N 2.83Å; I650-K653 PolarHBondContact O-N 2.81Å; I650-E654 PolarHBondContact O-N 3.38Å |
| 651 | E | 67 | Low | 64.7 | Low | 58 Ų | 58 | 95.9 Ų | 95.9 | 27% | 0.271 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -53.3 | -49 | 174.6 | -67 | 168.1 | -176.4 | 0 | 0 | 111.2 | P486 E487 Q647 K653 E654 | P486-E651 WeakPolarHBondContact CA-OE1 3.14Å; P486-E651 VanDerWaalsContact CB-OE1 3.25Å; P486-E651 WeakPolarHBondContact CB-OE1 3.18Å; E487-E651 PolarHBondContact N-OE1 2.69Å; E487-E651 VanDerWaalsContact N-OE1 3.16Å; Q647-E651 PolarHBondContact O-N 2.88Å; E651-K653 VanDerWaalsContact C-N 3.26Å; E651-K653 PolarHBondContact O-N 2.86Å; E651-E654 PolarHBondContact O-N 2.92Å |
| 652 | Q | 61 | Low | 61.9 | Low | 135 Ų | 135 | 99.7 Ų | 99.7 | 63% | 0.631 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.1 | -24.7 | 177.5 | -75.2 | 175.9 | -3.6 | 0 | 0 | 115.1 | L648 I650 | L648-Q652 WeakPolarHBondContact O-CB 3.33Å; L648-Q652 VanDerWaalsContact O-CG 3.28Å; L648-Q652 WeakPolarHBondContact O-CG 3.19Å; L648-Q652 PolarHBondContact O-N 3.35Å; I650-Q652 VanDerWaalsContact C-N 3.35Å; I650-Q652 PolarHBondContact O-N 2.83Å |
| 653 | K | 59.6 | Low | 59.2 | Low | 173 Ų | 173 | 104.6 Ų | 104.6 | 75% | 0.752 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -82.4 | -20.1 | 177.9 | -83 | -170 | 173.4 | -162.2 | 0 | 113.4 | K649 I650 E651 | K649-K653 WeakPolarHBondContact O-CG 3.23Å; K649-K653 PolarHBondContact O-N 2.81Å; I650-K653 PolarHBondContact O-N 2.81Å; E651-K653 VanDerWaalsContact C-N 3.26Å; E651-K653 PolarHBondContact O-N 2.86Å |
| 654 | E | 52.2 | Low | 56.2 | Low | 125 Ų | 125 | 107.4 Ų | 107.4 | 58% | 0.584 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -81.1 | -25.6 | 174.9 | -64.7 | -165.4 | 167 | 0 | 0 | 112.2 | I650 E651 H1031 | I650-E654 PolarHBondContact O-N 3.38Å; E651-E654 PolarHBondContact O-N 2.92Å; E654-H1031 IonicContact OE2-CE1 3.98Å |
| 655 | D | 47.8 | Very low | 53.2 | Low | 149 Ų | 149 | 113 Ų | 113 | 80% | 0.797 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -92.6 | -11.7 | -178.3 | -81.7 | -28.9 | 0 | 0 | 0 | 115.6 | ||
| 656 | V | 38.3 | Very low | 50.4 | Low | 89 Ų | 89 | 115.8 Ų | 115.8 | 54% | 0.539 | 61% | 0.612 | S | S | . | * | trans | -127.6 | 91.8 | -175.3 | -172.7 | 0 | 0 | 0 | 0 | 113.3 | I658 | V656-I658 VanDerWaalsContact C-N 3.27Å; V656-I658 HydrophobicContact CG1-CB 4.01Å; V656-I658 HydrophobicContact CG1-CG1 4.13Å; V656-I658 PolarHBondContact O-N 3.21Å; V656-I658 VanDerWaalsContact O-N 3.14Å | ||
| 657 | F | 30.6 | Very low | 47.6 | Very low | 209 Ų | 209 | 120.6 Ų | 120.6 | 92% | 0.917 | 64% | 0.638 | S | S | * | * | trans | -80.5 | 70.7 | 160.5 | -98.3 | -86.5 | 0 | 0 | 0 | 110.8 | ||||
| 658 | I | 33.7 | Very low | 44.8 | Very low | 136 Ų | 136 | 125.9 Ų | 125.9 | 70% | 0.697 | 67% | 0.667 | S | S | * | * | trans | -131.2 | 119 | 163.8 | -59.2 | -178.4 | 0 | 0 | 0 | 107.9 | V656 | V656-I658 VanDerWaalsContact C-N 3.27Å; V656-I658 HydrophobicContact CG1-CB 4.01Å; V656-I658 HydrophobicContact CG1-CG1 4.13Å; V656-I658 PolarHBondContact O-N 3.21Å; V656-I658 VanDerWaalsContact O-N 3.14Å | ||
| 659 | V | 31.2 | Very low | 42 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 76% | 0.758 | 69% | 0.686 | S | S | * | * | trans | -81.3 | 116.4 | 173.3 | -179.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 660 | D | 30.7 | Very low | 39.4 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 69% | 0.69 | 70% | 0.697 | S | S | * | * | trans | -132.2 | 95.6 | 162.6 | -161 | -19.7 | 0 | 0 | 0 | 108.7 | S662 | D660-S662 PolarHBondContact O-N 2.85Å; D660-S662 PolarHBondContact OD1-OG 3.19Å; D660-S662 VanDerWaalsContact OD1-OG 3.1Å | ||
| 661 | D | 29.6 | Very low | 37.5 | Very low | 159 Ų | 159 | 132 Ų | 132 | 85% | 0.85 | 71% | 0.709 | S | S | * | * | trans | -78.7 | 65.7 | 178.5 | -88.5 | -35.8 | 0 | 0 | 0 | 110.6 | ||||
| 662 | S | 29.5 | Very low | 36.3 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 55% | 0.552 | 71% | 0.709 | S | S | * | * | trans | -155.1 | 96.5 | 167.7 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | D660 | D660-S662 PolarHBondContact O-N 2.85Å; D660-S662 PolarHBondContact OD1-OG 3.19Å; D660-S662 VanDerWaalsContact OD1-OG 3.1Å | ||
| 663 | L | 30.3 | Very low | 35.6 | Very low | 176 Ų | 176 | 127.5 Ų | 127.5 | 92% | 0.921 | 69% | 0.693 | S | S | * | * | trans | -170.7 | 118.5 | 141.3 | -103.9 | 151.5 | 0 | 0 | 0 | 112.4 | ||||
| 664 | S | 29.7 | Very low | 35.6 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | trans | -64.1 | 131.3 | -178.4 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | N666 | S664-N666 PolarHBondContact O-N 2.84Å; S664-N666 VanDerWaalsContact O-N 3.13Å | ||
| 665 | S | 28.3 | Very low | 36.4 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | trans | -72.1 | 97.5 | 167.5 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 666 | N | 28.7 | Very low | 37.5 | Very low | 141 Ų | 141 | 117 Ų | 117 | 75% | 0.754 | 65% | 0.645 | S | S | * | * | trans | -162.2 | 87.4 | 163.9 | -96.4 | -28.9 | 0 | 0 | 0 | 110.5 | S664 | S664-N666 PolarHBondContact O-N 2.84Å; S664-N666 VanDerWaalsContact O-N 3.13Å | ||
| 667 | N | 29.9 | Very low | 39.4 | Very low | 164 Ų | 164 | 116.2 Ų | 116.2 | 88% | 0.877 | 64% | 0.641 | S | S | * | * | trans | 175.4 | 80.1 | 156.6 | -92.5 | -28.7 | 0 | 0 | 0 | 110.3 | ||||
| 668 | L | 31 | Very low | 42 | Very low | 140 Ų | 140 | 107.8 Ų | 107.8 | 73% | 0.733 | 61% | 0.605 | S | S | * | * | trans | -102.7 | 102.2 | 168 | -95.7 | 132.5 | 0 | 0 | 0 | 109.2 | L670 | L668-L670 PolarHBondContact O-N 3.18Š| ||
| 669 | N | 29.2 | Very low | 44.7 | Very low | 110 Ų | 110 | 101.5 Ų | 101.5 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | trans | -75.4 | 114.2 | 174.4 | -83.4 | -30.3 | 0 | 0 | 0 | 110.1 | T671 T672 | N669-T671 PolarHBondContact O-N 3.4Å; N669-T672 PolarHBondContact O-N 3.15Å; N669-T672 VanDerWaalsContact O-N 3.11Å; N669-T672 PolarHBondContact O-OG1 2.89Å | ||
| 670 | L | 30.1 | Very low | 47.7 | Very low | 140 Ų | 140 | 96.3 Ų | 96.3 | 73% | 0.733 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -10.4 | -177.9 | -113.7 | 77.1 | 0 | 0 | 0 | 115.6 | L668 | L668-L670 PolarHBondContact O-N 3.18Š|
| 671 | T | 39.3 | Very low | 50.9 | Low | 112 Ų | 112 | 90.1 Ų | 90.1 | 69% | 0.687 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -33.3 | 178.6 | 49.6 | 0 | 0 | 0 | 0 | 113.1 | N669 | N669-T671 PolarHBondContact O-N 3.4Š|
| 672 | T | 41.3 | Very low | 54.1 | Low | 44 Ų | 44 | 82.6 Ų | 82.6 | 27% | 0.27 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -24.6 | -174.4 | 46 | 0 | 0 | 0 | 0 | 114 | N669 N674 E675 | N669-T672 PolarHBondContact O-N 3.15Å; N669-T672 VanDerWaalsContact O-N 3.11Å; N669-T672 PolarHBondContact O-OG1 2.89Å; T672-N674 VanDerWaalsContact C-N 3.26Å; T672-N674 PolarHBondContact O-N 3.3Å; T672-E675 PolarHBondContact O-N 2.82Å |
| 673 | D | 46.6 | Very low | 57.3 | Low | 56 Ų | 56 | 78.8 Ų | 78.8 | 30% | 0.299 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.1 | -24.8 | -176.1 | -64.9 | -24.1 | 0 | 0 | 0 | 113.3 | E675 L676 T677 | D673-E675 VanDerWaalsContact C-N 3.32Å; D673-E675 PolarHBondContact O-N 3.09Å; D673-L676 PolarHBondContact O-N 3.24Å; D673-T677 WeakPolarHBondContact O-CG2 2.86Å; D673-T677 PolarHBondContact O-N 3.34Å; D673-T677 PolarHBondContact O-OG1 3.13Å |
| 674 | N | 60 | Low | 60.4 | Low | 116 Ų | 116 | 70.4 Ų | 70.4 | 62% | 0.62 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -70.4 | -23.5 | 178.8 | -80.6 | -53.8 | 0 | 0 | 0 | 113.8 | T672 T677 I678 | T672-N674 VanDerWaalsContact C-N 3.26Å; T672-N674 PolarHBondContact O-N 3.3Å; N674-T677 PolarHBondContact O-OG1 3.49Å; N674-I678 WeakPolarHBondContact O-CG1 3.44Å |
| 675 | E | 67.7 | Low | 63.3 | Low | 98 Ų | 98 | 65.6 Ų | 65.6 | 46% | 0.458 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -85.5 | -34.4 | 175.4 | -67.6 | -159 | 141.4 | 0 | 0 | 112.4 | T398 T672 D673 T677 I678 | T398-E675 HydrophobicContact CG2-CB 3.93Å; T672-E675 PolarHBondContact O-N 2.82Å; D673-E675 VanDerWaalsContact C-N 3.32Å; D673-E675 PolarHBondContact O-N 3.09Å; E675-T677 VanDerWaalsContact C-N 3.27Å; E675-T677 PolarHBondContact O-N 2.85Å; E675-I678 HydrophobicContact CB-CD1 4.48Å; E675-I678 WeakPolarHBondContact O-CB 3.25Å; E675-I678 WeakPolarHBondContact O-CG1 3.44Å; E675-I678 PolarHBondContact O-N 2.51Å |
| 676 | L | 72.5 | Confident | 66 | Low | 11 Ų | 11 | 60.6 Ų | 60.6 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67 | -27.6 | 179.2 | -68.4 | 176.3 | 0 | 0 | 0 | 112.9 | G396 T398 T640 G641 L642 D673 I678 | G396-L676 VanDerWaalsContact O-CD2 3.31Å; G396-L676 WeakPolarHBondContact O-CD2 3.36Å; T398-L676 HydrophobicContact CG2-CD2 3.83Å; T398-L676 HydrophobicContact CG2-CG 3.95Å; T640-L676 VanDerWaalsContact CB-O 3.28Å; T640-L676 WeakPolarHBondContact CB-O 3.12Å; T640-L676 PolarHBondContact OG1-O 3.26Å; G641-L676 WeakPolarHBondContact CA-O 3.14Å; G641-L676 PolarHBondContact N-O 3.05Å; L642-L676 HydrophobicContact CB-CB 4.23Å; L642-L676 PolarHBondContact N-O 3.13Å; D673-L676 PolarHBondContact O-N 3.24Å; L676-I678 VanDerWaalsContact C-N 3.32Å |
| 677 | T | 78.5 | Confident | 68.7 | Low | 73 Ų | 73 | 53.9 Ų | 53.9 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -0.1 | 178.7 | 51.9 | 0 | 0 | 0 | 0 | 114.3 | D673 N674 E675 | D673-T677 WeakPolarHBondContact O-CG2 2.86Å; D673-T677 PolarHBondContact O-N 3.34Å; D673-T677 PolarHBondContact O-OG1 3.13Å; N674-T677 PolarHBondContact O-OG1 3.49Å; E675-T677 VanDerWaalsContact C-N 3.27Å; E675-T677 PolarHBondContact O-N 2.85Å |
| 678 | I | 84.3 | Confident | 71.4 | Confident | 32 Ų | 32 | 46.4 Ų | 46.4 | 16% | 0.164 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -71.1 | 130.8 | 176.7 | -60.8 | -180 | 0 | 0 | 0 | 109.4 | T640 N674 E675 L676 R680 Y715 | T640-I678 WeakPolarHBondContact CA-O 3.42Å; T640-I678 WeakPolarHBondContact CB-O 3.27Å; N674-I678 WeakPolarHBondContact O-CG1 3.44Å; E675-I678 HydrophobicContact CB-CD1 4.48Å; E675-I678 WeakPolarHBondContact O-CB 3.25Å; E675-I678 WeakPolarHBondContact O-CG1 3.44Å; E675-I678 PolarHBondContact O-N 2.51Å; L676-I678 VanDerWaalsContact C-N 3.32Å; I678-R680 WeakPolarHBondContact O-CG 3.45Å; I678-R680 PolarHBondContact O-N 3.4Å; I678-Y715 HydrophobicContact CB-CD1 4.23Å; I678-Y715 HydrophobicContact CB-CE1 4.47Å; I678-Y715 HydrophobicContact CG1-CD1 3.87Å; I678-Y715 HydrophobicContact CG1-CE1 4.18Å; I678-Y715 HydrophobicContact CG2-CD1 3.92Å; I678-Y715 HydrophobicContact CG2-CG 4.2Å |
| 679 | P | 90.7 | Very high | 73.5 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 132.2 | 172.2 | -25.1 | 35.1 | 0 | 0 | 0 | 112 | H463 L682 L712 Y715 | H463-P679 PolarHBondContact CE1-O 3.24Å; H463-P679 PolarHBondContact ND1-O 2.95Å; P679-L682 HydrophobicContact CB-CD1 4.03Å; P679-L682 HydrophobicContact CB-CD2 4.06Å; P679-L682 HydrophobicContact CB-CG 4.11Å; P679-L712 HydrophobicContact CB-CD2 4.29Å; P679-Y715 VanDerWaalsContact CD-CZ 3.4Å; P679-Y715 HydrophobicContact CG-CD2 4.44Å; P679-Y715 HydrophobicContact CG-CE2 3.86Å |
| 680 | R | 94.2 | Very high | 75.4 | Confident | 15 Ų | 15 | 36 Ų | 36 | 6% | 0.057 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | -54.6 | -176.1 | -63.9 | -63.8 | -169.7 | -179.4 | -1.1 | 111.5 | A395 S427 I429 K462 H463 C464 L639 I678 | A395-R680 HydrophobicContact CB-CB 4.14Å; A395-R680 HydrophobicContact CB-CG 3.69Å; S427-R680 PolarHBondContact OG-NH2 3.48Å; I429-R680 HydrophobicContact CD1-CB 4.19Å; I429-R680 WeakPolarHBondContact CD1-O 3.42Å; K462-R680 PolarHBondContact O-NH1 2.71Å; K462-R680 VanDerWaalsContact O-NH1 3.09Å; H463-R680 WeakPolarHBondContact CA-O 3.28Å; C464-R680 PolarHBondContact N-O 3.35Å; L639-R680 PolarHBondContact O-N 3.37Å; I678-R680 WeakPolarHBondContact O-CG 3.45Å; I678-R680 PolarHBondContact O-N 3.4Å |
| 681 | L | 97.2 | Very high | 76.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.6 | 170.1 | -57.4 | -174.9 | 0 | 0 | 0 | 109.3 | I390 W392 I429 C464 I466 F484 L488 S638 L639 F683 | I390-L681 HydrophobicContact CG2-CD2 4Å; W392-L681 HydrophobicContact CB-CD1 4.29Å; W392-L681 HydrophobicContact CB-CD2 4.21Å; W392-L681 HydrophobicContact CB-CG 4.28Å; W392-L681 HydrophobicContact CD2-CD1 3.5Å; W392-L681 HydrophobicContact CD2-CG 3.95Å; W392-L681 HydrophobicContact CE3-CD1 3.92Å; W392-L681 HydrophobicContact CE3-CG 3.95Å; W392-L681 HydrophobicContact CG-CD1 3.63Å; W392-L681 HydrophobicContact CG-CD2 4.44Å; W392-L681 HydrophobicContact CG-CG 4.07Å; W392-L681 HydrophobicContact CZ2-CD1 4.47Å; I429-L681 HydrophobicContact CD1-CD2 4.07Å; I429-L681 HydrophobicContact CG2-CD2 4.36Å; C464-L681 HydrophobicContact CB-CD2 3.84Å; I466-L681 HydrophobicContact CD1-CB 4.3Å; I466-L681 HydrophobicContact CD1-CD1 4.5Å; I466-L681 HydrophobicContact CD1-CD2 4.4Å; F484-L681 HydrophobicContact CD1-CD1 4.13Å; F484-L681 HydrophobicContact CE1-CD1 4.33Å; L488-L681 HydrophobicContact CD2-CD1 4.16Å; S638-L681 CarbonylContact C-O 3.53Å; S638-L681 WeakPolarHBondContact CA-O 3.49Å; L639-L681 HydrophobicContact CB-CB 4.3Å; L639-L681 PolarHBondContact N-O 2.97Å; L639-L681 PolarHBondContact O-N 3.33Å; L639-L681 VanDerWaalsContact O-N 3.11Å; L681-F683 HydrophobicContact CB-CE2 4.12Å; L681-F683 HydrophobicContact CB-CZ 4.49Å |
| 682 | L | 97.6 | Very high | 77.8 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 133.1 | -175.9 | -68.6 | 96.4 | 0 | 0 | 0 | 109.5 | H463 C464 I465 I466 P679 R708 E711 L712 | H463-L682 HydrophobicContact CB-CD1 4.46Å; C464-L682 PolarHBondContact O-N 2.97Å; I465-L682 CarbonylContact C-O 3.5Å; I465-L682 WeakPolarHBondContact CA-O 3.37Å; I465-L682 HydrophobicContact CG1-CB 4.23Å; I466-L682 PolarHBondContact N-O 2.76Å; P679-L682 HydrophobicContact CB-CD1 4.03Å; P679-L682 HydrophobicContact CB-CD2 4.06Å; P679-L682 HydrophobicContact CB-CG 4.11Å; L682-R708 HydrophobicContact CB-CB 4.41Å; L682-R708 HydrophobicContact CB-CG 4.27Å; L682-R708 HydrophobicContact CD2-CB 4.36Å; L682-E711 HydrophobicContact CD2-CB 4.48Å; L682-E711 HydrophobicContact CD2-CG 4.46Å; L682-L712 HydrophobicContact CD1-CD1 4.19Å; L682-L712 HydrophobicContact CD1-CD2 3.74Å; L682-L712 HydrophobicContact CD1-CG 4.15Å; L682-L712 HydrophobicContact CD2-CD1 4.4Å; L682-L712 HydrophobicContact CD2-CD2 3.88Å; L682-L712 HydrophobicContact CD2-CG 3.78Å; L682-L712 HydrophobicContact CG-CD2 4.49Å |
| 683 | F | 97.1 | Very high | 78.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 135 | -173.7 | -64 | -94.1 | 0 | 0 | 0 | 111.5 | I466 L473 L488 K492 Y635 L637 L639 L681 R708 | I466-F683 HydrophobicContact CB-CD1 4.1Å; I466-F683 HydrophobicContact CB-CE1 4.23Å; I466-F683 HydrophobicContact CD1-CD1 4.23Å; I466-F683 HydrophobicContact CD1-CE1 3.57Å; I466-F683 HydrophobicContact CD1-CE2 4.4Å; I466-F683 HydrophobicContact CD1-CZ 3.67Å; I466-F683 HydrophobicContact CG2-CD1 4.21Å; I466-F683 HydrophobicContact CG2-CE1 4.23Å; L473-F683 HydrophobicContact CD1-CD1 4.34Å; L473-F683 HydrophobicContact CD1-CE1 4.42Å; L488-F683 HydrophobicContact CD1-CE1 4.45Å; L488-F683 HydrophobicContact CD1-CZ 4.23Å; L488-F683 HydrophobicContact CD2-CZ 3.98Å; K492-F683 HydrophobicContact CD-CD2 4.39Å; K492-F683 HydrophobicContact CD-CE1 4.47Å; K492-F683 HydrophobicContact CD-CE2 3.88Å; K492-F683 HydrophobicContact CD-CZ 3.92Å; Y635-F683 HydrophobicContact CD2-CB 4.49Å; Y635-F683 HydrophobicContact CD2-CD1 4.44Å; Y635-F683 HydrophobicContact CE2-CB 4.33Å; Y635-F683 HydrophobicContact CE2-CD1 4Å; Y635-F683 WeakPolarHBondContact O-CB 3.5Å; L637-F683 WeakPolarHBondContact O-CD2 3.02Å; L639-F683 HydrophobicContact CD1-CE2 4.07Å; L639-F683 HydrophobicContact CD1-CZ 4.49Å; L639-F683 HydrophobicContact CG-CE2 4.2Å; L681-F683 HydrophobicContact CB-CE2 4.12Å; L681-F683 HydrophobicContact CB-CZ 4.49Å; F683-R708 WeakPolarHBondContact O-CD 3.29Å; F683-R708 WeakPolarHBondContact O-CG 3.08Å; F683-R708 PolarHBondContact O-NH1 3.1Å |
| 684 | A | 94.2 | Very high | 79.1 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -148.5 | 170 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S12 I466 T467 R708 | S12-A684 VanDerWaalsContact OG-CB 3.32Å; S12-A684 WeakPolarHBondContact OG-CB 3.31Å; I466-A684 PolarHBondContact O-N 3.35Å; T467-A684 WeakPolarHBondContact CA-O 3.41Å; T467-A684 HydrophobicContact CG2-CB 4.13Å; A684-R708 HydrophobicContact CB-CG 3.81Å | ||
| 685 | G | 90.9 | Very high | 79.2 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 4% | 0.041 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 128.3 | 169.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S12 G687 T688 T704 | S12-G685 PolarHBondContact OG-N 2.85Å; G685-G687 PolarHBondContact O-N 3.07Å; G685-T688 PolarHBondContact N-OG1 3.2Å; G685-T688 PolarHBondContact O-N 3.28Å; G685-T688 VanDerWaalsContact O-N 3.07Å; G685-T688 PolarHBondContact O-OG1 3.34Å; G685-T704 PolarHBondContact N-OG1 2.88Å |
| 686 | E | 85.2 | Confident | 79.2 | Confident | 12 Ų | 12 | 25.3 Ų | 25.3 | 6% | 0.056 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -66.9 | -24.1 | -172.3 | 91.2 | -66 | 174.2 | 0 | 0 | 113.5 | R39 T621 T688 A701 | R39-E686 IonicContact CZ-OE1 3.41Å; R39-E686 IonicContact CZ-OE2 2.88Å; R39-E686 VanDerWaalsContact NH1-CD 3.27Å; R39-E686 IonicContact NH1-OE1 2.71Å; R39-E686 PolarHBondContact NH1-OE1 2.88Å; R39-E686 IonicContact NH1-OE2 2.68Å; R39-E686 PolarHBondContact NH1-OE2 3.3Å; R39-E686 IonicContact NH2-OE1 3.33Å; R39-E686 PolarHBondContact NH2-OE1 2.69Å; R39-E686 IonicContact NH2-OE2 2.69Å; R39-E686 PolarHBondContact NH2-OE2 2.8Å; T621-E686 PolarHBondContact N-OE1 3.05Å; T621-E686 PolarHBondContact OG1-OE1 2.96Å; E686-T688 VanDerWaalsContact C-N 3.27Å; E686-T688 PolarHBondContact O-N 3.3Å; E686-A701 HydrophobicContact CB-CB 4.23Å |
| 687 | G | 84.2 | Confident | 79.2 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -72.8 | -12.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T621 R632 G685 L689 | T621-G687 WeakPolarHBondContact OG1-CA 3.33Å; R632-G687 WeakPolarHBondContact CD-O 3.32Å; R632-G687 WeakPolarHBondContact CG-O 3.35Å; G685-G687 PolarHBondContact O-N 3.07Å; G687-L689 VanDerWaalsContact C-N 3.33Å; G687-L689 PolarHBondContact O-N 2.89Å |
| 688 | T | 87.4 | Confident | 79.4 | Confident | 6 Ų | 6 | 22.9 Ų | 22.9 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -91.1 | 17.4 | -175.4 | 65.3 | 0 | 0 | 0 | 0 | 114.5 | Y635 S636 G685 E686 T704 | Y635-T688 HydrophobicContact CD1-CG2 3.69Å; Y635-T688 HydrophobicContact CD2-CG2 4.22Å; Y635-T688 HydrophobicContact CE1-CG2 3.56Å; Y635-T688 HydrophobicContact CE2-CG2 4.07Å; Y635-T688 HydrophobicContact CG-CG2 4.02Å; S636-T688 WeakPolarHBondContact CB-O 3.28Å; G685-T688 PolarHBondContact N-OG1 3.2Å; G685-T688 PolarHBondContact O-N 3.28Å; G685-T688 VanDerWaalsContact O-N 3.07Å; G685-T688 PolarHBondContact O-OG1 3.34Å; E686-T688 VanDerWaalsContact C-N 3.27Å; E686-T688 PolarHBondContact O-N 3.3Å; T688-T704 WeakPolarHBondContact OG1-CG2 3.17Å |
| 689 | L | 74.7 | Confident | 79.1 | Confident | 17 Ų | 17 | 21.9 Ų | 21.9 | 9% | 0.089 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -121.5 | 148.4 | -178.2 | -68.1 | 174.9 | 0 | 0 | 0 | 112.5 | R632 G687 E693 A694 K695 T704 | R632-L689 WeakPolarHBondContact CD-O 3.25Å; G687-L689 VanDerWaalsContact C-N 3.33Å; G687-L689 PolarHBondContact O-N 2.89Å; L689-E693 HydrophobicContact CB-CB 4.26Å; L689-E693 HydrophobicContact CD2-CB 3.98Å; L689-A694 WeakPolarHBondContact CD1-O 3.34Å; L689-K695 WeakPolarHBondContact O-CG 3.29Å; L689-T704 HydrophobicContact CD1-CG2 3.82Å; L689-T704 HydrophobicContact CD2-CG2 3.52Å; L689-T704 HydrophobicContact CG-CG2 3.47Å; L689-T704 VanDerWaalsContact CG-CG2 3.47Å |
| 690 | T | 69.6 | Low | 78.3 | Confident | 14 Ų | 14 | 21.6 Ų | 21.6 | 9% | 0.086 | 11% | 0.112 | C | C | . | . | trans | -82.7 | 163.7 | 172.7 | 65.2 | 0 | 0 | 0 | 0 | 112.4 | D629 L633 K692 E693 | D629-T690 HydrophobicContact CB-CG2 4.02Å; D629-T690 VanDerWaalsContact CG-CB 3.47Å; D629-T690 VanDerWaalsContact OD1-CA 3.29Å; D629-T690 WeakPolarHBondContact OD1-CA 3.47Å; D629-T690 WeakPolarHBondContact OD1-CB 3.17Å; D629-T690 WeakPolarHBondContact OD2-CB 3.33Å; L633-T690 HydrophobicContact CD1-CG2 4.41Å; L633-T690 HydrophobicContact CD2-CG2 3.77Å; L633-T690 HydrophobicContact CG-CG2 3.8Å; T690-K692 PolarHBondContact O-N 3.24Å; T690-E693 VanDerWaalsContact CB-OE2 3.32Å; T690-E693 WeakPolarHBondContact CB-OE2 3.49Å; T690-E693 WeakPolarHBondContact CG2-OE2 3.16Å; T690-E693 PolarHBondContact N-OE2 3.06Å; T690-E693 PolarHBondContact O-N 3.42Å; T690-E693 VanDerWaalsContact OG1-CG 3.3Å; T690-E693 WeakPolarHBondContact OG1-CG 3.42Å; T690-E693 PolarHBondContact OG1-OE2 2.92Å | ||
| 691 | A | 61.7 | Low | 77.9 | Confident | 28 Ų | 28 | 21.4 Ų | 21.4 | 23% | 0.231 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -24.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D629 K695 | D629-A691 PolarHBondContact OD1-N 3.37Å; D629-A691 PolarHBondContact OD2-N 3.06Å; A691-K695 HydrophobicContact CB-CD 4.06Å |
| 692 | K | 58.2 | Low | 77.4 | Confident | 131 Ų | 131 | 21.5 Ų | 21.5 | 57% | 0.57 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -15.3 | 178.8 | -69.1 | 156.5 | -176.7 | 155.9 | 0 | 113.5 | E283 T690 | E283-K692 IonicContact OE1-NZ 3.6Å; E283-K692 PolarHBondContact OE1-NZ 2.99Å; E283-K692 WeakPolarHBondContact OE2-CE 3.35Å; E283-K692 IonicContact OE2-NZ 3.98Å; E283-K692 PolarHBondContact OE2-NZ 3.26Å; T690-K692 PolarHBondContact O-N 3.24Å |
| 693 | E | 58.5 | Low | 76.5 | Confident | 72 Ų | 72 | 23.1 Ų | 23.1 | 34% | 0.336 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 7.5 | -172.8 | -64.1 | 167.9 | 135 | 0 | 0 | 113.6 | L689 T690 | L689-E693 HydrophobicContact CB-CB 4.26Å; L689-E693 HydrophobicContact CD2-CB 3.98Å; T690-E693 VanDerWaalsContact CB-OE2 3.32Å; T690-E693 WeakPolarHBondContact CB-OE2 3.49Å; T690-E693 WeakPolarHBondContact CG2-OE2 3.16Å; T690-E693 PolarHBondContact N-OE2 3.06Å; T690-E693 PolarHBondContact O-N 3.42Å; T690-E693 VanDerWaalsContact OG1-CG 3.3Å; T690-E693 WeakPolarHBondContact OG1-CG 3.42Å; T690-E693 PolarHBondContact OG1-OE2 2.92Å |
| 694 | A | 57.4 | Low | 76 | Confident | 20 Ų | 20 | 23.3 Ų | 23.3 | 17% | 0.165 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 63.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L689 C697 | L689-A694 WeakPolarHBondContact CD1-O 3.34Å; A694-C697 PolarHBondContact O-SG 2.96Å |
| 695 | K | 61.1 | Low | 75.8 | Confident | 35 Ų | 35 | 23.3 Ų | 23.3 | 15% | 0.152 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -41.3 | 159 | 158.3 | -80 | 179 | 176.9 | 165.7 | 0 | 114.1 | D629 L689 A691 C697 | D629-K695 WeakPolarHBondContact OD1-CE 3.35Å; D629-K695 IonicContact OD1-NZ 2.79Å; D629-K695 PolarHBondContact OD1-NZ 2.91Å; L689-K695 WeakPolarHBondContact O-CG 3.29Å; A691-K695 HydrophobicContact CB-CD 4.06Å; K695-C697 PolarHBondContact O-N 3.37Å |
| 696 | E | 67.4 | Low | 75.6 | Confident | 56 Ų | 56 | 23.3 Ų | 23.3 | 26% | 0.262 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 17 | 162.3 | -67.1 | 116.2 | -138.8 | 0 | 0 | 116.3 | Y620 T621 R632 | Y620-E696 HydrophobicContact CD2-CB 4.27Å; Y620-E696 HydrophobicContact CD2-CG 3.91Å; Y620-E696 HydrophobicContact CG-CB 4.44Å; Y620-E696 HydrophobicContact CG-CG 4.4Å; T621-E696 WeakPolarHBondContact O-CG 3.39Å; R632-E696 IonicContact CZ-OE1 2.83Å; R632-E696 IonicContact NH1-OE1 3.18Å; R632-E696 PolarHBondContact NH1-OE1 3.41Å; R632-E696 IonicContact NH2-OE1 2.69Å; R632-E696 PolarHBondContact NH2-OE1 3.33Å |
| 697 | C | 73.9 | Confident | 75.5 | Confident | 14 Ų | 14 | 23.6 Ų | 23.6 | 10% | 0.095 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -130.1 | 154.7 | -176.1 | 75.3 | 0 | 0 | 0 | 0 | 114.2 | I128 A694 K695 H699 G700 A701 | I128-C697 HydrophobicContact CD1-CB 3.84Å; A694-C697 PolarHBondContact O-SG 2.96Å; K695-C697 PolarHBondContact O-N 3.37Å; C697-H699 PolarHBondContact O-N 3.2Å; C697-G700 PolarHBondContact O-N 2.41Å; C697-G700 VanDerWaalsContact O-N 3.14Å; C697-G700 PolarHBondContact SG-N 3Å; C697-A701 PolarHBondContact O-N 3.35Å |
| 698 | T | 82.6 | Confident | 75.8 | Confident | 20 Ų | 20 | 24.6 Ų | 24.6 | 12% | 0.123 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.7 | -34.1 | 177.8 | -42.6 | 0 | 0 | 0 | 0 | 113.1 | I11 I40 A124 L139 F368 L702 | I11-T698 HydrophobicContact CD1-CG2 3.75Å; I11-T698 HydrophobicContact CG2-CG2 3.87Å; I40-T698 HydrophobicContact CD1-CG2 3.62Å; I40-T698 HydrophobicContact CG1-CG2 4.24Å; A124-T698 WeakPolarHBondContact CB-OG1 3.34Å; L139-T698 HydrophobicContact CD1-CG2 3.66Å; F368-T698 HydrophobicContact CE1-CG2 4.04Å; T698-L702 PolarHBondContact O-N 3.49Å |
| 699 | H | 76.5 | Confident | 75.9 | Confident | 10 Ų | 10 | 24.3 Ų | 24.3 | 5% | 0.046 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.5 | -48.6 | 175 | -70.9 | 108.7 | 0 | 0 | 0 | 111.4 | I128 L139 C697 L702 Q703 | I128-H699 PolarHBondContact O-CE1 2.36Å; L139-H699 VanDerWaalsContact CB-NE2 3.35Å; L139-H699 WeakPolarHBondContact CB-NE2 3.44Å; C697-H699 PolarHBondContact O-N 3.2Å; H699-L702 PolarHBondContact O-N 2.77Å; H699-Q703 VanDerWaalsContact O-CG 3.28Å; H699-Q703 WeakPolarHBondContact O-CG 3.31Å; H699-Q703 PolarHBondContact O-N 2.79Å; H699-Q703 PolarHBondContact O-OE1 2.83Å |
| 700 | G | 75.7 | Confident | 76.4 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | C697 L702 Q703 T704 | C697-G700 PolarHBondContact O-N 2.41Å; C697-G700 VanDerWaalsContact O-N 3.14Å; C697-G700 PolarHBondContact SG-N 3Å; G700-L702 PolarHBondContact O-N 3.33Å; G700-Q703 WeakPolarHBondContact O-CB 3.31Å; G700-Q703 PolarHBondContact O-N 2.98Å; G700-Q703 VanDerWaalsContact O-N 3.08Å; G700-T704 WeakPolarHBondContact O-CG2 3.42Å; G700-T704 PolarHBondContact O-N 3.39Å |
| 701 | A | 85.7 | Confident | 77.1 | Confident | 11 Ų | 11 | 23.9 Ų | 23.9 | 9% | 0.091 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -53.8 | -50 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I11 S12 E686 C697 Q703 T704 G705 | I11-A701 HydrophobicContact CG2-CB 3.7Å; S12-A701 VanDerWaalsContact CA-O 3.31Å; S12-A701 WeakPolarHBondContact CA-O 3.45Å; S12-A701 WeakPolarHBondContact CB-O 3.49Å; S12-A701 PolarHBondContact OG-O 3.48Å; E686-A701 HydrophobicContact CB-CB 4.23Å; C697-A701 PolarHBondContact O-N 3.35Å; A701-Q703 VanDerWaalsContact C-N 3.35Å; A701-Q703 PolarHBondContact O-N 3.3Å; A701-T704 PolarHBondContact O-N 3.39Å; A701-T704 PolarHBondContact O-OG1 3.45Å; A701-G705 PolarHBondContact O-N 2.7Å |
| 702 | L | 85.7 | Confident | 78.3 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.5 | -42.5 | 176 | 175.1 | 59.6 | 0 | 0 | 0 | 112.3 | I11 P138 L139 L375 T698 H699 G700 T704 I706 | I11-L702 HydrophobicContact CD1-CB 4.16Å; I11-L702 HydrophobicContact CD1-CD2 4.37Å; I11-L702 HydrophobicContact CG1-CB 4.14Å; I11-L702 HydrophobicContact CG1-CD1 4.15Å; I11-L702 HydrophobicContact CG2-CB 4.38Å; P138-L702 HydrophobicContact CB-CD2 4.2Å; L139-L702 HydrophobicContact CD2-CD2 3.72Å; L375-L702 HydrophobicContact CD1-CD1 4.04Å; T698-L702 PolarHBondContact O-N 3.49Å; H699-L702 PolarHBondContact O-N 2.77Å; G700-L702 PolarHBondContact O-N 3.33Å; L702-T704 PolarHBondContact O-N 2.86Å; L702-I706 HydrophobicContact CD1-CD1 3.69Å; L702-I706 HydrophobicContact CD1-CG1 4.26Å; L702-I706 HydrophobicContact CG-CD1 3.77Å; L702-I706 WeakPolarHBondContact O-CD1 3.39Å; L702-I706 WeakPolarHBondContact O-CG1 3.33Å; L702-I706 PolarHBondContact O-N 3.36Å |
| 703 | Q | 78.8 | Confident | 79.5 | Confident | 34 Ų | 34 | 16.6 Ų | 16.6 | 16% | 0.159 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 179.2 | -74.7 | 165 | -29 | 0 | 0 | 112.6 | H699 G700 A701 I706 A707 F743 | H699-Q703 VanDerWaalsContact O-CG 3.28Å; H699-Q703 WeakPolarHBondContact O-CG 3.31Å; H699-Q703 PolarHBondContact O-N 2.79Å; H699-Q703 PolarHBondContact O-OE1 2.83Å; G700-Q703 WeakPolarHBondContact O-CB 3.31Å; G700-Q703 PolarHBondContact O-N 2.98Å; G700-Q703 VanDerWaalsContact O-N 3.08Å; A701-Q703 VanDerWaalsContact C-N 3.35Å; A701-Q703 PolarHBondContact O-N 3.3Å; Q703-I706 PolarHBondContact O-N 3.44Å; Q703-A707 WeakPolarHBondContact O-CB 3.38Å; Q703-A707 PolarHBondContact O-N 2.72Å; Q703-F743 HydrophobicContact CG-CD1 4.32Å; Q703-F743 HydrophobicContact CG-CE1 3.85Å; Q703-F743 HydrophobicContact CG-CE2 4.21Å; Q703-F743 HydrophobicContact CG-CZ 3.78Å; Q703-F743 VanDerWaalsContact NE2-CE1 3.29Å |
| 704 | T | 86.9 | Confident | 80.4 | Confident | 5 Ų | 5 | 14.4 Ų | 14.4 | 3% | 0.031 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.4 | -43.7 | -177.2 | 58.9 | 0 | 0 | 0 | 0 | 112.8 | S12 G685 T688 L689 G700 A701 L702 A707 R708 | S12-T704 PolarHBondContact OG-OG1 3.33Å; G685-T704 PolarHBondContact N-OG1 2.88Å; T688-T704 WeakPolarHBondContact OG1-CG2 3.17Å; L689-T704 HydrophobicContact CD1-CG2 3.82Å; L689-T704 HydrophobicContact CD2-CG2 3.52Å; L689-T704 HydrophobicContact CG-CG2 3.47Å; L689-T704 VanDerWaalsContact CG-CG2 3.47Å; G700-T704 WeakPolarHBondContact O-CG2 3.42Å; G700-T704 PolarHBondContact O-N 3.39Å; A701-T704 PolarHBondContact O-N 3.39Å; A701-T704 PolarHBondContact O-OG1 3.45Å; L702-T704 PolarHBondContact O-N 2.86Å; T704-A707 WeakPolarHBondContact O-CB 3.21Å; T704-A707 PolarHBondContact O-N 2.77Å; T704-R708 PolarHBondContact O-N 2.71Å |
| 705 | G | 90.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.6 | -44 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S12 A16 A701 A707 R708 A709 | S12-G705 WeakPolarHBondContact O-CA 3.49Å; S12-G705 WeakPolarHBondContact OG-CA 3.41Å; S12-G705 PolarHBondContact OG-N 3.19Å; A16-G705 VanDerWaalsContact CB-O 3.28Å; A16-G705 WeakPolarHBondContact CB-O 3.4Å; A701-G705 PolarHBondContact O-N 2.7Å; G705-A707 VanDerWaalsContact C-N 3.3Å; G705-A707 PolarHBondContact O-N 2.85Å; G705-R708 PolarHBondContact O-N 3.17Å; G705-A709 PolarHBondContact O-N 3.34Å |
| 706 | I | 85.6 | Confident | 82.7 | Confident | 4 Ų | 4 | 14.6 Ų | 14.6 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.9 | -39.9 | 174.4 | -62.8 | 159.4 | 0 | 0 | 0 | 110.9 | L19 L702 Q703 A709 I710 L750 L754 | L19-I706 HydrophobicContact CD2-CG2 3.94Å; L702-I706 HydrophobicContact CD1-CD1 3.69Å; L702-I706 HydrophobicContact CD1-CG1 4.26Å; L702-I706 HydrophobicContact CG-CD1 3.77Å; L702-I706 WeakPolarHBondContact O-CD1 3.39Å; L702-I706 WeakPolarHBondContact O-CG1 3.33Å; L702-I706 PolarHBondContact O-N 3.36Å; Q703-I706 PolarHBondContact O-N 3.44Å; I706-A709 PolarHBondContact O-N 3.24Å; I706-I710 HydrophobicContact CG2-CD1 3.83Å; I706-I710 HydrophobicContact CG2-CG1 4.38Å; I706-I710 WeakPolarHBondContact O-CG1 3.47Å; I706-I710 PolarHBondContact O-N 2.99Å; I706-L750 HydrophobicContact CD1-CD2 4.21Å; I706-L750 HydrophobicContact CG2-CD1 4.07Å; I706-L750 HydrophobicContact CG2-CD2 3.68Å; I706-L750 HydrophobicContact CG2-CG 4.35Å; I706-L754 HydrophobicContact CD1-CD1 3.56Å; I706-L754 HydrophobicContact CG1-CD1 4.22Å |
| 707 | A | 82.8 | Confident | 83 | Confident | 17 Ų | 17 | 13.7 Ų | 13.7 | 14% | 0.14 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63 | -43.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q703 T704 G705 I710 E711 A739 | Q703-A707 WeakPolarHBondContact O-CB 3.38Å; Q703-A707 PolarHBondContact O-N 2.72Å; T704-A707 WeakPolarHBondContact O-CB 3.21Å; T704-A707 PolarHBondContact O-N 2.77Å; G705-A707 VanDerWaalsContact C-N 3.3Å; G705-A707 PolarHBondContact O-N 2.85Å; A707-I710 PolarHBondContact O-N 2.83Å; A707-E711 WeakPolarHBondContact O-CB 3.16Å; A707-E711 PolarHBondContact O-N 2.98Å; A707-A739 HydrophobicContact CB-CB 4.27Å |
| 708 | R | 91 | Very high | 82.5 | Confident | 22 Ų | 22 | 19.9 Ų | 19.9 | 8% | 0.083 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 174.5 | -68.5 | -59.9 | 92.8 | 87.1 | -12.6 | 112.9 | I465 S636 L682 F683 A684 T704 G705 E711 L712 | I465-R708 HydrophobicContact CD1-CB 4.28Å; I465-R708 HydrophobicContact CG2-CB 4.15Å; I465-R708 HydrophobicContact CG2-CG 4.48Å; S636-R708 PolarHBondContact O-NH1 2.96Å; L682-R708 HydrophobicContact CB-CB 4.41Å; L682-R708 HydrophobicContact CB-CG 4.27Å; L682-R708 HydrophobicContact CD2-CB 4.36Å; F683-R708 WeakPolarHBondContact O-CD 3.29Å; F683-R708 WeakPolarHBondContact O-CG 3.08Å; F683-R708 PolarHBondContact O-NH1 3.1Å; A684-R708 HydrophobicContact CB-CG 3.81Å; T704-R708 PolarHBondContact O-N 2.71Å; G705-R708 PolarHBondContact O-N 3.17Å; R708-E711 IonicContact CZ-OE2 3.41Å; R708-E711 VanDerWaalsContact CZ-OE2 3.29Å; R708-E711 IonicContact NE-OE2 3.39Å; R708-E711 PolarHBondContact NE-OE2 2.87Å; R708-E711 IonicContact NH2-OE2 2.8Å; R708-E711 PolarHBondContact NH2-OE2 3.48Å; R708-E711 WeakPolarHBondContact O-CB 3.24Å; R708-E711 PolarHBondContact O-N 3.47Å; R708-L712 PolarHBondContact O-N 3.03Å |
| 709 | A | 90.5 | Very high | 81.2 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.8 | -45.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A16 L19 L20 G705 I706 E711 L712 L713 | A16-A709 HydrophobicContact CB-CB 4.32Å; L19-A709 HydrophobicContact CB-CB 4.13Å; L19-A709 HydrophobicContact CD2-CB 3.76Å; L19-A709 HydrophobicContact CG-CB 4.06Å; L20-A709 HydrophobicContact CD1-CB 4.04Å; L20-A709 HydrophobicContact CD2-CB 4.13Å; L20-A709 HydrophobicContact CG-CB 3.77Å; G705-A709 PolarHBondContact O-N 3.34Å; I706-A709 PolarHBondContact O-N 3.24Å; A709-E711 VanDerWaalsContact C-N 3.28Å; A709-E711 PolarHBondContact O-N 3.44Å; A709-L712 PolarHBondContact O-N 3.29Å; A709-L713 WeakPolarHBondContact O-CG 3.42Å; A709-L713 PolarHBondContact O-N 2.84Å |
| 710 | I | 84.1 | Confident | 80.2 | Confident | 6 Ų | 6 | 25.2 Ų | 25.2 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.9 | -37.7 | 174.6 | -68.8 | 168.4 | 0 | 0 | 0 | 111.4 | L19 I706 A707 L712 L713 P714 L735 R736 F746 | L19-I710 HydrophobicContact CD2-CG1 3.85Å; I706-I710 HydrophobicContact CG2-CD1 3.83Å; I706-I710 HydrophobicContact CG2-CG1 4.38Å; I706-I710 WeakPolarHBondContact O-CG1 3.47Å; I706-I710 PolarHBondContact O-N 2.99Å; A707-I710 PolarHBondContact O-N 2.83Å; I710-L712 VanDerWaalsContact C-N 3.29Å; I710-L712 PolarHBondContact O-N 2.76Å; I710-L713 PolarHBondContact O-N 3.33Å; I710-P714 WeakPolarHBondContact O-CD 3.46Å; I710-L735 HydrophobicContact CG2-CB 4.12Å; I710-R736 HydrophobicContact CG2-CB 4.43Å; I710-F746 HydrophobicContact CD1-CE1 4.31Å; I710-F746 HydrophobicContact CD1-CZ 3.86Å |
| 711 | E | 84.1 | Confident | 78.9 | Confident | 16 Ų | 16 | 31.1 Ų | 31.1 | 8% | 0.075 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.8 | -33.1 | 176.9 | -167.3 | 175.7 | 145.8 | 0 | 0 | 112.7 | S638 L682 A707 R708 A709 Y715 | S638-E711 WeakPolarHBondContact CB-OE1 3.29Å; S638-E711 PolarHBondContact OG-OE1 3.25Å; L682-E711 HydrophobicContact CD2-CB 4.48Å; L682-E711 HydrophobicContact CD2-CG 4.46Å; A707-E711 WeakPolarHBondContact O-CB 3.16Å; A707-E711 PolarHBondContact O-N 2.98Å; R708-E711 IonicContact CZ-OE2 3.41Å; R708-E711 VanDerWaalsContact CZ-OE2 3.29Å; R708-E711 IonicContact NE-OE2 3.39Å; R708-E711 PolarHBondContact NE-OE2 2.87Å; R708-E711 IonicContact NH2-OE2 2.8Å; R708-E711 PolarHBondContact NH2-OE2 3.48Å; R708-E711 WeakPolarHBondContact O-CB 3.24Å; R708-E711 PolarHBondContact O-N 3.47Å; A709-E711 VanDerWaalsContact C-N 3.28Å; A709-E711 PolarHBondContact O-N 3.44Å; E711-Y715 WeakPolarHBondContact O-CD2 3.44Å; E711-Y715 VanDerWaalsContact O-CE2 3.31Å; E711-Y715 WeakPolarHBondContact O-CE2 3.25Å |
| 712 | L | 88.3 | Confident | 77 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -80.2 | -29.6 | 176 | -75.3 | -177.8 | 0 | 0 | 0 | 114.7 | V4 H463 I465 P679 L682 R708 A709 I710 P714 Y715 L716 | V4-L712 HydrophobicContact CG1-CD1 4.16Å; V4-L712 HydrophobicContact CG2-CD1 3.86Å; H463-L712 HydrophobicContact CB-CD1 3.9Å; H463-L712 HydrophobicContact CB-CD2 4.08Å; H463-L712 WeakPolarHBondContact ND1-CD2 3.47Å; I465-L712 HydrophobicContact CD1-CD1 4.01Å; I465-L712 HydrophobicContact CG1-CD1 4.15Å; P679-L712 HydrophobicContact CB-CD2 4.29Å; L682-L712 HydrophobicContact CD1-CD1 4.19Å; L682-L712 HydrophobicContact CD1-CD2 3.74Å; L682-L712 HydrophobicContact CD1-CG 4.15Å; L682-L712 HydrophobicContact CD2-CD1 4.4Å; L682-L712 HydrophobicContact CD2-CD2 3.88Å; L682-L712 HydrophobicContact CD2-CG 3.78Å; L682-L712 HydrophobicContact CG-CD2 4.49Å; R708-L712 PolarHBondContact O-N 3.03Å; A709-L712 PolarHBondContact O-N 3.29Å; I710-L712 VanDerWaalsContact C-N 3.29Å; I710-L712 PolarHBondContact O-N 2.76Å; L712-P714 VanDerWaalsContact C-CD 3.49Å; L712-Y715 PolarHBondContact O-N 2.93Å; L712-L716 HydrophobicContact CB-CD1 3.87Å; L712-L716 HydrophobicContact CB-CG 4.26Å; L712-L716 PolarHBondContact O-N 3.25Å |
| 713 | L | 83.5 | Confident | 74.9 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -50.3 | -45.5 | -172.6 | -74.5 | 175.4 | 0 | 0 | 0 | 114.1 | L20 E23 Y25 A709 I710 Y715 L716 M717 L732 | L20-L713 HydrophobicContact CD2-CD2 4.25Å; E23-L713 HydrophobicContact CB-CD2 4.23Å; E23-L713 HydrophobicContact CG-CD2 4.25Å; Y25-L713 HydrophobicContact CD2-CD2 4.41Å; Y25-L713 HydrophobicContact CE2-CD2 3.73Å; A709-L713 WeakPolarHBondContact O-CG 3.42Å; A709-L713 PolarHBondContact O-N 2.84Å; I710-L713 PolarHBondContact O-N 3.33Å; L713-Y715 VanDerWaalsContact C-N 3.25Å; L713-Y715 PolarHBondContact O-N 3.41Å; L713-L716 PolarHBondContact O-N 2.87Å; L713-M717 WeakPolarHBondContact O-CB 3.11Å; L713-M717 VanDerWaalsContact O-CG 3.24Å; L713-M717 WeakPolarHBondContact O-CG 3.21Å; L713-M717 PolarHBondContact O-N 3.14Å; L713-L732 HydrophobicContact CB-CD1 4.13Å; L713-L732 HydrophobicContact CB-CD2 4.06Å; L713-L732 HydrophobicContact CD1-CD2 3.7Å |
| 714 | P | 77.3 | Confident | 73.3 | Confident | 26 Ų | 26 | 41.4 Ų | 41.4 | 17% | 0.169 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.7 | -30.1 | 178.8 | -24.4 | 34.9 | 0 | 0 | 0 | 114.6 | I710 L712 K718 L732 | I710-P714 WeakPolarHBondContact O-CD 3.46Å; L712-P714 VanDerWaalsContact C-CD 3.49Å; P714-K718 WeakPolarHBondContact O-CG 3.14Å; P714-L732 HydrophobicContact CG-CB 4.45Å; P714-L732 HydrophobicContact CG-CD1 4.25Å |
| 715 | Y | 82 | Confident | 71.4 | Confident | 57 Ų | 57 | 45 Ų | 45 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -82.2 | -43.7 | 179.2 | -56.1 | -85.5 | 0 | 0 | 0 | 110.8 | I678 P679 E711 L712 L713 M717 K718 | I678-Y715 HydrophobicContact CB-CD1 4.23Å; I678-Y715 HydrophobicContact CB-CE1 4.47Å; I678-Y715 HydrophobicContact CG1-CD1 3.87Å; I678-Y715 HydrophobicContact CG1-CE1 4.18Å; I678-Y715 HydrophobicContact CG2-CD1 3.92Å; I678-Y715 HydrophobicContact CG2-CG 4.2Å; P679-Y715 VanDerWaalsContact CD-CZ 3.4Å; P679-Y715 HydrophobicContact CG-CD2 4.44Å; P679-Y715 HydrophobicContact CG-CE2 3.86Å; E711-Y715 WeakPolarHBondContact O-CD2 3.44Å; E711-Y715 VanDerWaalsContact O-CE2 3.31Å; E711-Y715 WeakPolarHBondContact O-CE2 3.25Å; L712-Y715 PolarHBondContact O-N 2.93Å; L713-Y715 VanDerWaalsContact C-N 3.25Å; L713-Y715 PolarHBondContact O-N 3.41Å; Y715-M717 PolarHBondContact O-N 2.85Å; Y715-K718 PolarHBondContact O-N 2.97Å |
| 716 | L | 83.9 | Confident | 69.4 | Low | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 177 | -69.2 | 175.4 | 0 | 0 | 0 | 112.2 | D3 V4 L20 Y25 L712 L713 K718 S719 | D3-L716 HydrophobicContact CB-CD2 4.08Å; V4-L716 HydrophobicContact CG2-CD1 4Å; V4-L716 HydrophobicContact CG2-CD2 4.37Å; L20-L716 HydrophobicContact CD2-CD1 3.65Å; Y25-L716 HydrophobicContact CD1-CB 4.09Å; Y25-L716 HydrophobicContact CD1-CD1 4.38Å; Y25-L716 HydrophobicContact CD1-CD2 4.49Å; Y25-L716 HydrophobicContact CD2-CD1 4.2Å; Y25-L716 HydrophobicContact CE1-CB 3.54Å; Y25-L716 HydrophobicContact CE1-CG 4.47Å; Y25-L716 HydrophobicContact CE2-CB 4.17Å; Y25-L716 HydrophobicContact CE2-CD1 4.36Å; Y25-L716 HydrophobicContact CG-CD1 4.21Å; L712-L716 HydrophobicContact CB-CD1 3.87Å; L712-L716 HydrophobicContact CB-CG 4.26Å; L712-L716 PolarHBondContact O-N 3.25Å; L713-L716 PolarHBondContact O-N 2.87Å; L716-K718 PolarHBondContact O-N 3.16Å; L716-S719 PolarHBondContact O-N 3.03Å; L716-S719 VanDerWaalsContact O-N 3.17Å; L716-S719 PolarHBondContact O-OG 2.89Å |
| 717 | M | 73.7 | Confident | 67.5 | Low | 38 Ų | 38 | 51.9 Ų | 51.9 | 19% | 0.187 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 178.6 | -75 | -174 | 82.9 | 0 | 0 | 112.9 | Y25 L713 Y715 S719 K720 P724 I728 L732 | Y25-M717 WeakPolarHBondContact OH-CA 3.49Å; Y25-M717 VanDerWaalsContact OH-CG 3.3Å; Y25-M717 WeakPolarHBondContact OH-CG 3.35Å; Y25-M717 PolarHBondContact OH-N 3.43Å; L713-M717 WeakPolarHBondContact O-CB 3.11Å; L713-M717 VanDerWaalsContact O-CG 3.24Å; L713-M717 WeakPolarHBondContact O-CG 3.21Å; L713-M717 PolarHBondContact O-N 3.14Å; Y715-M717 PolarHBondContact O-N 2.85Å; M717-S719 PolarHBondContact O-N 3.27Å; M717-S719 VanDerWaalsContact O-N 3.15Å; M717-K720 PolarHBondContact O-N 2.72Å; M717-P724 HydrophobicContact CB-CB 4.31Å; M717-P724 HydrophobicContact CB-CG 3.87Å; M717-P724 HydrophobicContact CE-CB 3.84Å; M717-P724 HydrophobicContact SD-CB 4.26Å; M717-I728 HydrophobicContact CE-CD1 4.46Å; M717-I728 HydrophobicContact CE-CG2 3.86Å; M717-I728 HydrophobicContact SD-CG2 3.94Å; M717-L732 HydrophobicContact SD-CD1 3.7Å |
| 718 | K | 62.8 | Low | 65.8 | Low | 144 Ų | 144 | 52.8 Ų | 52.8 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57.2 | -29.5 | 176.5 | -72.6 | 176 | -179.2 | -177.2 | 0 | 112.5 | P714 Y715 L716 K720 | P714-K718 WeakPolarHBondContact O-CG 3.14Å; Y715-K718 PolarHBondContact O-N 2.97Å; L716-K718 PolarHBondContact O-N 3.16Å; K718-K720 VanDerWaalsContact C-N 3.32Å; K718-K720 PolarHBondContact O-N 2.99Å |
| 719 | S | 56.4 | Low | 63.9 | Low | 65 Ų | 65 | 55.1 Ų | 55.1 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -14.1 | 179.3 | 77.3 | 0 | 0 | 0 | 0 | 114.7 | L716 M717 S721 | L716-S719 PolarHBondContact O-N 3.03Å; L716-S719 VanDerWaalsContact O-N 3.17Å; L716-S719 PolarHBondContact O-OG 2.89Å; M717-S719 PolarHBondContact O-N 3.27Å; M717-S719 VanDerWaalsContact O-N 3.15Å; S719-S721 VanDerWaalsContact C-N 3.31Å; S719-S721 PolarHBondContact O-N 3.22Å |
| 720 | K | 55.9 | Low | 62 | Low | 76 Ų | 76 | 60.6 Ų | 60.6 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 26.3 | -177.8 | -78.2 | -177.2 | 167 | 170.2 | 0 | 114.2 | E23 S24 Y25 M717 K718 T722 | E23-K720 PolarHBondContact O-NZ 2.99Å; S24-K720 PolarHBondContact O-NZ 2.86Å; Y25-K720 HydrophobicContact CD1-CD 4.46Å; Y25-K720 HydrophobicContact CE1-CD 3.64Å; Y25-K720 HydrophobicContact CE1-CG 4.23Å; Y25-K720 VanDerWaalsContact CE1-NZ 3.28Å; M717-K720 PolarHBondContact O-N 2.72Å; K718-K720 VanDerWaalsContact C-N 3.32Å; K718-K720 PolarHBondContact O-N 2.99Å; K720-T722 PolarHBondContact O-N 2.96Å; K720-T722 PolarHBondContact O-OG1 3.47Å |
| 721 | S | 47.6 | Very low | 60.5 | Low | 125 Ų | 125 | 60.7 Ų | 60.7 | 87% | 0.874 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 12.2 | 177.1 | 67.5 | 0 | 0 | 0 | 0 | 117.1 | S719 | S719-S721 VanDerWaalsContact C-N 3.31Å; S719-S721 PolarHBondContact O-N 3.22Å |
| 722 | T | 44.5 | Very low | 59 | Low | 88 Ų | 88 | 60 Ų | 60 | 54% | 0.54 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -108.6 | 122.9 | 176.2 | 33 | 0 | 0 | 0 | 0 | 106.5 | K720 P724 | K720-T722 PolarHBondContact O-N 2.96Å; K720-T722 PolarHBondContact O-OG1 3.47Å; T722-P724 WeakPolarHBondContact O-CD 3.32Å |
| 723 | I | 42.7 | Very low | 57.3 | Low | 158 Ų | 158 | 63.8 Ų | 63.8 | 81% | 0.81 | 34% | 0.341 | S | S | * | . | trans | -57.1 | 114.3 | 167.9 | -61.8 | 173.2 | 0 | 0 | 0 | 105.4 | D725 | I723-D725 PolarHBondContact O-N 2.91Å; I723-D725 VanDerWaalsContact O-N 3.17Å | ||
| 724 | P | 46.1 | Very low | 55.9 | Low | 15 Ų | 15 | 65 Ų | 65 | 10% | 0.097 | 35% | 0.347 | C | S | . | . | trans | -65.2 | 125.2 | 179.5 | -14.1 | 29 | 0 | 0 | 0 | 106.3 | M717 T722 P726 I729 | M717-P724 HydrophobicContact CB-CB 4.31Å; M717-P724 HydrophobicContact CB-CG 3.87Å; M717-P724 HydrophobicContact CE-CB 3.84Å; M717-P724 HydrophobicContact SD-CB 4.26Å; T722-P724 WeakPolarHBondContact O-CD 3.32Å; P724-P726 VanDerWaalsContact O-N 3.15Å; P724-I729 HydrophobicContact CB-CD1 3.98Å; P724-I729 HydrophobicContact CB-CG1 3.74Å; P724-I729 HydrophobicContact CG-CD1 4.26Å; P724-I729 HydrophobicContact CG-CG1 4.44Å | ||
| 725 | D | 46.2 | Very low | 54.7 | Low | 80 Ų | 80 | 63.9 Ų | 63.9 | 43% | 0.428 | 34% | 0.34 | S | S | . | . | trans | -45.1 | 126.7 | 179.1 | 175.2 | -10.4 | 0 | 0 | 0 | 108.3 | I723 C727 I728 I729 | I723-D725 PolarHBondContact O-N 2.91Å; I723-D725 VanDerWaalsContact O-N 3.17Å; D725-C727 CarbonylContact O-C 3.57Å; D725-C727 PolarHBondContact O-N 2.95Å; D725-C727 VanDerWaalsContact OD1-CB 3.26Å; D725-C727 WeakPolarHBondContact OD1-CB 3.41Å; D725-C727 PolarHBondContact OD1-N 2.98Å; D725-C727 PolarHBondContact OD1-SG 2.86Å; D725-I728 HydrophobicContact CB-CB 4.37Å; D725-I728 HydrophobicContact CB-CD1 3.91Å; D725-I728 HydrophobicContact CB-CG1 3.97Å; D725-I728 WeakPolarHBondContact O-CA 3.19Å; D725-I728 WeakPolarHBondContact O-CB 3.39Å; D725-I728 PolarHBondContact O-N 3.21Å; D725-I729 PolarHBondContact O-N 2.79Å | ||
| 726 | P | 48.6 | Very low | 53.3 | Low | 95 Ų | 95 | 64.2 Ų | 64.2 | 62% | 0.617 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -51.3 | -25.3 | 177.4 | -29.7 | 36.3 | 0 | 0 | 0 | 113.3 | P724 R730 | P724-P726 VanDerWaalsContact O-N 3.15Å; P726-R730 WeakPolarHBondContact O-CB 3.45Å; P726-R730 PolarHBondContact O-N 3.17Å |
| 727 | C | 45.2 | Very low | 51.8 | Low | 54 Ų | 54 | 68.2 Ų | 68.2 | 37% | 0.365 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.3 | -46 | 168.6 | -56.7 | 0 | 0 | 0 | 0 | 112.4 | D725 R730 D731 | D725-C727 CarbonylContact O-C 3.57Å; D725-C727 PolarHBondContact O-N 2.95Å; D725-C727 VanDerWaalsContact OD1-CB 3.26Å; D725-C727 WeakPolarHBondContact OD1-CB 3.41Å; D725-C727 PolarHBondContact OD1-N 2.98Å; D725-C727 PolarHBondContact OD1-SG 2.86Å; C727-R730 PolarHBondContact O-N 2.87Å; C727-D731 WeakPolarHBondContact O-CB 3.47Å; C727-D731 PolarHBondContact O-N 3.37Å |
| 728 | I | 48 | Very low | 50.8 | Low | 36 Ų | 36 | 69 Ų | 69 | 19% | 0.185 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 175.6 | -61.4 | 169.5 | 0 | 0 | 0 | 110.8 | M717 D725 D731 L732 L764 | M717-I728 HydrophobicContact CE-CD1 4.46Å; M717-I728 HydrophobicContact CE-CG2 3.86Å; M717-I728 HydrophobicContact SD-CG2 3.94Å; D725-I728 HydrophobicContact CB-CB 4.37Å; D725-I728 HydrophobicContact CB-CD1 3.91Å; D725-I728 HydrophobicContact CB-CG1 3.97Å; D725-I728 WeakPolarHBondContact O-CA 3.19Å; D725-I728 WeakPolarHBondContact O-CB 3.39Å; D725-I728 PolarHBondContact O-N 3.21Å; I728-D731 PolarHBondContact O-N 3.04Å; I728-L732 HydrophobicContact CG2-CD1 3.91Å; I728-L732 HydrophobicContact CG2-CG 4.18Å; I728-L732 VanDerWaalsContact O-CB 3.31Å; I728-L732 WeakPolarHBondContact O-CB 3.39Å; I728-L732 VanDerWaalsContact O-CG 3.28Å; I728-L732 WeakPolarHBondContact O-CG 3.12Å; I728-L732 PolarHBondContact O-N 3.21Å; I728-L764 HydrophobicContact CG1-CD1 4.32Å; I728-L764 HydrophobicContact CG2-CD1 4.35Å |
| 729 | I | 50.8 | Low | 50.2 | Low | 71 Ų | 71 | 63.6 Ų | 63.6 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61 | -49.1 | 176.4 | -57 | -178.5 | 0 | 0 | 0 | 110.5 | P724 D725 D731 L732 E733 | P724-I729 HydrophobicContact CB-CD1 3.98Å; P724-I729 HydrophobicContact CB-CG1 3.74Å; P724-I729 HydrophobicContact CG-CD1 4.26Å; P724-I729 HydrophobicContact CG-CG1 4.44Å; D725-I729 PolarHBondContact O-N 2.79Å; I729-D731 VanDerWaalsContact C-N 3.29Å; I729-D731 PolarHBondContact O-N 2.9Å; I729-L732 PolarHBondContact O-N 2.81Å; I729-E733 PolarHBondContact O-N 3.49Å |
| 730 | R | 51 | Low | 49.7 | Very low | 115 Ų | 115 | 65.2 Ų | 65.2 | 43% | 0.434 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 177.2 | -176.5 | -162 | 70.1 | -153.8 | -5.8 | 111.5 | P726 C727 E733 I734 | P726-R730 WeakPolarHBondContact O-CB 3.45Å; P726-R730 PolarHBondContact O-N 3.17Å; C727-R730 PolarHBondContact O-N 2.87Å; R730-E733 PolarHBondContact O-N 3.46Å; R730-I734 HydrophobicContact CG-CD1 4.2Å; R730-I734 VanDerWaalsContact O-CG1 3.28Å; R730-I734 WeakPolarHBondContact O-CG1 3.22Å; R730-I734 PolarHBondContact O-N 3.38Å |
| 731 | D | 51.6 | Low | 49.3 | Very low | 8 Ų | 8 | 65.1 Ų | 65.1 | 4% | 0.043 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -77.1 | -30.4 | -175.2 | -62.8 | -12.3 | 0 | 0 | 0 | 111 | C727 I728 I729 I734 L735 L764 | C727-D731 WeakPolarHBondContact O-CB 3.47Å; C727-D731 PolarHBondContact O-N 3.37Å; I728-D731 PolarHBondContact O-N 3.04Å; I729-D731 VanDerWaalsContact C-N 3.29Å; I729-D731 PolarHBondContact O-N 2.9Å; D731-I734 WeakPolarHBondContact O-CB 3.37Å; D731-I734 PolarHBondContact O-N 3.31Å; D731-L735 VanDerWaalsContact O-CG 3.26Å; D731-L735 WeakPolarHBondContact O-CG 3.35Å; D731-L735 PolarHBondContact O-N 3.04Å; D731-L764 HydrophobicContact CB-CB 3.73Å; D731-L764 HydrophobicContact CB-CD1 4.18Å; D731-L764 HydrophobicContact CB-CD2 3.53Å; D731-L764 HydrophobicContact CB-CG 3.96Å |
| 732 | L | 53.1 | Low | 49.3 | Very low | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | 165.4 | -76.9 | 172 | 0 | 0 | 0 | 112 | L713 P714 M717 I728 I729 I734 L735 R736 | L713-L732 HydrophobicContact CB-CD1 4.13Å; L713-L732 HydrophobicContact CB-CD2 4.06Å; L713-L732 HydrophobicContact CD1-CD2 3.7Å; P714-L732 HydrophobicContact CG-CB 4.45Å; P714-L732 HydrophobicContact CG-CD1 4.25Å; M717-L732 HydrophobicContact SD-CD1 3.7Å; I728-L732 HydrophobicContact CG2-CD1 3.91Å; I728-L732 HydrophobicContact CG2-CG 4.18Å; I728-L732 VanDerWaalsContact O-CB 3.31Å; I728-L732 WeakPolarHBondContact O-CB 3.39Å; I728-L732 VanDerWaalsContact O-CG 3.28Å; I728-L732 WeakPolarHBondContact O-CG 3.12Å; I728-L732 PolarHBondContact O-N 3.21Å; I729-L732 PolarHBondContact O-N 2.81Å; L732-I734 VanDerWaalsContact C-N 3.32Å; L732-I734 PolarHBondContact O-N 2.74Å; L732-L735 HydrophobicContact CD2-CD1 4.28Å; L732-L735 CarbonylContact O-C 3.51Å; L732-L735 WeakPolarHBondContact O-CA 3.31Å; L732-L735 WeakPolarHBondContact O-CB 3.15Å; L732-L735 PolarHBondContact O-N 3.36Å; L732-R736 PolarHBondContact O-N 2.91Å |
| 733 | E | 52.2 | Low | 49.6 | Very low | 79 Ų | 79 | 61.5 Ų | 61.5 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.3 | -36 | 175.9 | -163.9 | 61.4 | -159 | 0 | 0 | 111.1 | I729 R730 L735 R736 I737 | I729-E733 PolarHBondContact O-N 3.49Å; R730-E733 PolarHBondContact O-N 3.46Å; E733-L735 VanDerWaalsContact C-N 3.32Å; E733-L735 PolarHBondContact O-N 2.92Å; E733-R736 PolarHBondContact O-N 2.85Å; E733-R736 IonicContact OE1-NH1 3.25Å; E733-R736 IonicContact OE2-NH1 3.61Å; E733-I737 HydrophobicContact CG-CD1 4.45Å; E733-I737 WeakPolarHBondContact O-CB 3.4Å; E733-I737 WeakPolarHBondContact O-CD1 3.28Å; E733-I737 VanDerWaalsContact O-CG1 3.26Å; E733-I737 WeakPolarHBondContact O-CG1 2.94Å; E733-I737 PolarHBondContact O-N 3.22Å |
| 734 | I | 53.8 | Low | 49.7 | Very low | 31 Ų | 31 | 55.7 Ų | 55.7 | 16% | 0.159 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 168 | -71.2 | 166.2 | 0 | 0 | 0 | 110.6 | R730 D731 L732 I737 H738 | R730-I734 HydrophobicContact CG-CD1 4.2Å; R730-I734 VanDerWaalsContact O-CG1 3.28Å; R730-I734 WeakPolarHBondContact O-CG1 3.22Å; R730-I734 PolarHBondContact O-N 3.38Å; D731-I734 WeakPolarHBondContact O-CB 3.37Å; D731-I734 PolarHBondContact O-N 3.31Å; L732-I734 VanDerWaalsContact C-N 3.32Å; L732-I734 PolarHBondContact O-N 2.74Å; I734-I737 PolarHBondContact O-N 3.37Å; I734-H738 PolarHBondContact O-N 3.37Å; I734-H738 PolarHBondContact O-ND1 3.03Å |
| 735 | L | 52.5 | Low | 49.8 | Very low | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 176.5 | -69.8 | 173.3 | 0 | 0 | 0 | 112.5 | I710 D731 L732 E733 I737 H738 A739 F746 L760 L763 L764 | I710-L735 HydrophobicContact CG2-CB 4.12Å; D731-L735 VanDerWaalsContact O-CG 3.26Å; D731-L735 WeakPolarHBondContact O-CG 3.35Å; D731-L735 PolarHBondContact O-N 3.04Å; L732-L735 HydrophobicContact CD2-CD1 4.28Å; L732-L735 CarbonylContact O-C 3.51Å; L732-L735 WeakPolarHBondContact O-CA 3.31Å; L732-L735 WeakPolarHBondContact O-CB 3.15Å; L732-L735 PolarHBondContact O-N 3.36Å; E733-L735 VanDerWaalsContact C-N 3.32Å; E733-L735 PolarHBondContact O-N 2.92Å; L735-I737 PolarHBondContact O-N 3.3Å; L735-H738 PolarHBondContact O-N 3.26Å; L735-A739 WeakPolarHBondContact O-CB 3.3Å; L735-A739 PolarHBondContact O-N 2.91Å; L735-F746 HydrophobicContact CD2-CD2 3.87Å; L735-F746 HydrophobicContact CD2-CE2 3.29Å; L735-F746 HydrophobicContact CD2-CZ 3.73Å; L735-L760 HydrophobicContact CD1-CD1 4.44Å; L735-L763 HydrophobicContact CD1-CD2 3.82Å; L735-L763 HydrophobicContact CD2-CD2 3.45Å; L735-L763 VanDerWaalsContact CD2-CD2 3.45Å; L735-L763 HydrophobicContact CG-CD2 4.24Å; L735-L764 HydrophobicContact CD1-CD2 3.39Å; L735-L764 HydrophobicContact CG-CD2 4.09Å |
| 736 | R | 53.5 | Low | 50.1 | Low | 64 Ų | 64 | 54.8 Ų | 54.8 | 24% | 0.242 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.1 | -49.6 | 174 | -170.2 | -174.5 | -169.3 | -175.9 | 5.7 | 110.8 | I710 L732 E733 H738 A739 Q740 | I710-R736 HydrophobicContact CG2-CB 4.43Å; L732-R736 PolarHBondContact O-N 2.91Å; E733-R736 PolarHBondContact O-N 2.85Å; E733-R736 IonicContact OE1-NH1 3.25Å; E733-R736 IonicContact OE2-NH1 3.61Å; R736-H738 PolarHBondContact O-N 2.83Å; R736-A739 PolarHBondContact O-N 2.79Å; R736-Q740 WeakPolarHBondContact O-CB 3.36Å; R736-Q740 VanDerWaalsContact O-CG 3.29Å; R736-Q740 WeakPolarHBondContact O-CG 3.48Å; R736-Q740 PolarHBondContact O-N 2.72Å; R736-Q740 VanDerWaalsContact O-N 3.13Å |
| 737 | I | 52.6 | Low | 50.4 | Low | 84 Ų | 84 | 50.3 Ų | 50.3 | 43% | 0.431 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 176.2 | -67.3 | 164.6 | 0 | 0 | 0 | 111.5 | E733 I734 L735 Q740 S741 | E733-I737 HydrophobicContact CG-CD1 4.45Å; E733-I737 WeakPolarHBondContact O-CB 3.4Å; E733-I737 WeakPolarHBondContact O-CD1 3.28Å; E733-I737 VanDerWaalsContact O-CG1 3.26Å; E733-I737 WeakPolarHBondContact O-CG1 2.94Å; E733-I737 PolarHBondContact O-N 3.22Å; I734-I737 PolarHBondContact O-N 3.37Å; L735-I737 PolarHBondContact O-N 3.3Å; I737-Q740 PolarHBondContact O-N 3.16Å; I737-S741 WeakPolarHBondContact O-CB 3.38Å; I737-S741 PolarHBondContact O-N 3.15Å; I737-S741 VanDerWaalsContact O-N 3.11Å; I737-S741 PolarHBondContact O-OG 2.93Å |
| 738 | H | 52.8 | Low | 50.8 | Low | 56 Ų | 56 | 50.3 Ų | 50.3 | 26% | 0.259 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70.9 | -38.8 | 179.7 | -80 | 78.8 | 0 | 0 | 0 | 112.8 | I734 L735 R736 Q740 S741 N742 F746 | I734-H738 PolarHBondContact O-N 3.37Å; I734-H738 PolarHBondContact O-ND1 3.03Å; L735-H738 PolarHBondContact O-N 3.26Å; R736-H738 PolarHBondContact O-N 2.83Å; H738-Q740 PolarHBondContact O-N 2.9Å; H738-S741 PolarHBondContact O-N 2.79Å; H738-N742 PolarHBondContact O-N 3.02Å; H738-F746 HydrophobicContact CB-CB 4.31Å; H738-F746 HydrophobicContact CB-CD1 4.11Å; H738-F746 HydrophobicContact CB-CG 4.27Å |
| 739 | A | 48.8 | Very low | 51.3 | Low | 29 Ų | 29 | 51 Ų | 51 | 24% | 0.24 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.9 | -33.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A707 L735 R736 F746 | A707-A739 HydrophobicContact CB-CB 4.27Å; L735-A739 WeakPolarHBondContact O-CB 3.3Å; L735-A739 PolarHBondContact O-N 2.91Å; R736-A739 PolarHBondContact O-N 2.79Å; A739-F746 HydrophobicContact CB-CE1 4.09Å |
| 740 | Q | 47.3 | Very low | 51.8 | Low | 100 Ų | 100 | 47.8 Ų | 47.8 | 47% | 0.467 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -7.2 | -179 | -68.6 | 174.7 | -14 | 0 | 0 | 115.7 | R736 I737 H738 | R736-Q740 WeakPolarHBondContact O-CB 3.36Å; R736-Q740 VanDerWaalsContact O-CG 3.29Å; R736-Q740 WeakPolarHBondContact O-CG 3.48Å; R736-Q740 PolarHBondContact O-N 2.72Å; R736-Q740 VanDerWaalsContact O-N 3.13Å; I737-Q740 PolarHBondContact O-N 3.16Å; H738-Q740 PolarHBondContact O-N 2.9Å |
| 741 | S | 46.8 | Very low | 52.4 | Low | 73 Ų | 73 | 42.3 Ų | 42.3 | 51% | 0.51 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -145.1 | -17.6 | -166.2 | 71.3 | 0 | 0 | 0 | 0 | 119.4 | I737 H738 | I737-S741 WeakPolarHBondContact O-CB 3.38Å; I737-S741 PolarHBondContact O-N 3.15Å; I737-S741 VanDerWaalsContact O-N 3.11Å; I737-S741 PolarHBondContact O-OG 2.93Å; H738-S741 PolarHBondContact O-N 2.79Å |
| 742 | N | 48.2 | Very low | 52.9 | Low | 109 Ų | 109 | 42.8 Ų | 42.8 | 58% | 0.583 | 23% | 0.233 | S | C | * | . | trans | -175.7 | 111.5 | 162.9 | -115.6 | -82.1 | 0 | 0 | 0 | 110.9 | H738 | H738-N742 PolarHBondContact O-N 3.02Š| ||
| 743 | F | 49.9 | Very low | 53.5 | Low | 28 Ų | 28 | 42.9 Ų | 42.9 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | trans | -88.4 | -12.1 | -164.5 | -158.4 | -106.1 | 0 | 0 | 0 | 115 | P138 Q703 S745 F746 S747 L750 | P138-F743 HydrophobicContact CG-CE1 3.64Å; P138-F743 HydrophobicContact CG-CZ 4.4Å; Q703-F743 HydrophobicContact CG-CD1 4.32Å; Q703-F743 HydrophobicContact CG-CE1 3.85Å; Q703-F743 HydrophobicContact CG-CE2 4.21Å; Q703-F743 HydrophobicContact CG-CZ 3.78Å; Q703-F743 VanDerWaalsContact NE2-CE1 3.29Å; F743-S745 PolarHBondContact O-N 3.03Å; F743-F746 AromaticContact CD2-CD1 3.57Å; F743-F746 HydrophobicContact CD2-CD1 3.57Å; F743-F746 HydrophobicContact CD2-CE1 4.2Å; F743-F746 HydrophobicContact CD2-CG 4.46Å; F743-F746 AromaticContact CE2-CD1 3.41Å; F743-F746 HydrophobicContact CE2-CD1 3.41Å; F743-F746 VanDerWaalsContact CE2-CD1 3.41Å; F743-F746 AromaticContact CE2-CE1 3.64Å; F743-F746 HydrophobicContact CE2-CE1 3.64Å; F743-F746 HydrophobicContact CE2-CG 4.36Å; F743-F746 HydrophobicContact CZ-CD1 4.31Å; F743-F746 PolarHBondContact O-N 3.04Å; F743-S747 WeakPolarHBondContact O-CB 3.38Å; F743-S747 PolarHBondContact O-N 2.86Å; F743-L750 HydrophobicContact CE2-CD2 3.83Å; F743-L750 HydrophobicContact CZ-CD2 3.48Å; F743-L750 VanDerWaalsContact CZ-CD2 3.48Å | ||
| 744 | S | 45.6 | Very low | 54.2 | Low | 37 Ų | 37 | 39.3 Ų | 39.3 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.9 | -46.1 | -167.9 | 51.9 | 0 | 0 | 0 | 0 | 115.9 | D136 S747 | D136-S744 WeakPolarHBondContact OD1-CB 3.49Å; S744-S747 PolarHBondContact O-OG 3.15Å; S744-S747 VanDerWaalsContact O-OG 3.12Å |
| 745 | S | 46.9 | Very low | 54.8 | Low | 70 Ų | 70 | 39.2 Ų | 39.2 | 49% | 0.49 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -80.8 | -18.9 | 176.8 | 73 | 0 | 0 | 0 | 0 | 113.6 | F743 | F743-S745 PolarHBondContact O-N 3.03Å |
| 746 | F | 53.2 | Low | 55.1 | Low | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -85.5 | -39.9 | -178.2 | 178.4 | -144.3 | 0 | 0 | 0 | 111.5 | I710 L735 H738 A739 F743 T748 K749 L750 L763 | I710-F746 HydrophobicContact CD1-CE1 4.31Å; I710-F746 HydrophobicContact CD1-CZ 3.86Å; L735-F746 HydrophobicContact CD2-CD2 3.87Å; L735-F746 HydrophobicContact CD2-CE2 3.29Å; L735-F746 HydrophobicContact CD2-CZ 3.73Å; H738-F746 HydrophobicContact CB-CB 4.31Å; H738-F746 HydrophobicContact CB-CD1 4.11Å; H738-F746 HydrophobicContact CB-CG 4.27Å; A739-F746 HydrophobicContact CB-CE1 4.09Å; F743-F746 AromaticContact CD2-CD1 3.57Å; F743-F746 HydrophobicContact CD2-CD1 3.57Å; F743-F746 HydrophobicContact CD2-CE1 4.2Å; F743-F746 HydrophobicContact CD2-CG 4.46Å; F743-F746 AromaticContact CE2-CD1 3.41Å; F743-F746 HydrophobicContact CE2-CD1 3.41Å; F743-F746 VanDerWaalsContact CE2-CD1 3.41Å; F743-F746 AromaticContact CE2-CE1 3.64Å; F743-F746 HydrophobicContact CE2-CE1 3.64Å; F743-F746 HydrophobicContact CE2-CG 4.36Å; F743-F746 HydrophobicContact CZ-CD1 4.31Å; F743-F746 PolarHBondContact O-N 3.04Å; F746-T748 PolarHBondContact O-N 3.27Å; F746-K749 PolarHBondContact O-N 3.27Å; F746-K749 VanDerWaalsContact O-N 3.13Å; F746-L750 HydrophobicContact CD1-CD2 4.38Å; F746-L750 HydrophobicContact CD2-CB 4.05Å; F746-L750 HydrophobicContact CE1-CD2 3.71Å; F746-L750 HydrophobicContact CE2-CB 3.71Å; F746-L750 HydrophobicContact CE2-CD1 3.95Å; F746-L750 HydrophobicContact CE2-CD2 4.04Å; F746-L750 HydrophobicContact CE2-CG 4.1Å; F746-L750 HydrophobicContact CZ-CB 4.09Å; F746-L750 HydrophobicContact CZ-CD1 3.82Å; F746-L750 HydrophobicContact CZ-CD2 3.51Å; F746-L750 HydrophobicContact CZ-CG 4.01Å; F746-L750 VanDerWaalsContact O-CB 3.3Å; F746-L750 WeakPolarHBondContact O-CB 3.16Å; F746-L750 PolarHBondContact O-N 2.82Å; F746-L763 HydrophobicContact CE2-CD1 4.48Å; F746-L763 HydrophobicContact CE2-CD2 4.32Å |
| 747 | S | 54 | Low | 55.3 | Low | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.4 | -48.5 | -176.3 | 65 | 0 | 0 | 0 | 0 | 114.4 | D136 F743 S744 K749 L750 A751 | D136-S747 VanDerWaalsContact CA-OG 3.3Å; D136-S747 WeakPolarHBondContact CA-OG 3.34Å; D136-S747 WeakPolarHBondContact O-CB 3.35Å; D136-S747 PolarHBondContact O-OG 3.12Å; F743-S747 WeakPolarHBondContact O-CB 3.38Å; F743-S747 PolarHBondContact O-N 2.86Å; S744-S747 PolarHBondContact O-OG 3.15Å; S744-S747 VanDerWaalsContact O-OG 3.12Å; S747-K749 VanDerWaalsContact C-N 3.33Å; S747-K749 PolarHBondContact O-N 2.77Å; S747-L750 PolarHBondContact O-N 3.2Å; S747-A751 VanDerWaalsContact O-CB 3.29Å; S747-A751 WeakPolarHBondContact O-CB 3.41Å; S747-A751 PolarHBondContact O-N 3.46Å |
| 748 | T | 54.5 | Low | 55.5 | Low | 54 Ų | 54 | 42.7 Ų | 42.7 | 33% | 0.331 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.5 | -41.3 | 179.9 | -78.5 | 0 | 0 | 0 | 0 | 110.7 | A135 F746 S752 | A135-T748 PolarHBondContact O-OG1 2.89Å; F746-T748 PolarHBondContact O-N 3.27Å; T748-S752 VanDerWaalsContact O-CB 3.28Å; T748-S752 WeakPolarHBondContact O-CB 3.29Å; T748-S752 PolarHBondContact O-N 2.83Å; T748-S752 PolarHBondContact O-OG 2.89Å |
| 749 | K | 57.9 | Low | 55.6 | Low | 49 Ų | 49 | 46.1 Ų | 46.1 | 21% | 0.213 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.5 | -46.2 | 176.1 | -66.3 | 178.1 | 178.9 | 178.4 | 0 | 110.6 | F746 S747 S752 Y753 L763 C766 N767 | F746-K749 PolarHBondContact O-N 3.27Å; F746-K749 VanDerWaalsContact O-N 3.13Å; S747-K749 VanDerWaalsContact C-N 3.33Å; S747-K749 PolarHBondContact O-N 2.77Å; K749-S752 CarbonylContact O-C 3.53Å; K749-S752 WeakPolarHBondContact O-CB 3.3Å; K749-S752 PolarHBondContact O-N 2.8Å; K749-Y753 WeakPolarHBondContact O-CB 3Å; K749-Y753 PolarHBondContact O-N 2.94Å; K749-L763 HydrophobicContact CB-CD1 3.86Å; K749-L763 HydrophobicContact CB-CG 4.1Å; K749-L763 WeakPolarHBondContact O-CD1 3.4Å; K749-C766 HydrophobicContact CD-CB 4.42Å; K749-C766 PolarHBondContact NZ-O 2.94Å; K749-N767 PolarHBondContact NZ-OD1 3.14Å |
| 750 | L | 62.5 | Low | 56 | Low | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.4 | -45.3 | -177.7 | -175.7 | 58.9 | 0 | 0 | 0 | 111.7 | I706 F743 F746 S747 Y753 L754 | I706-L750 HydrophobicContact CD1-CD2 4.21Å; I706-L750 HydrophobicContact CG2-CD1 4.07Å; I706-L750 HydrophobicContact CG2-CD2 3.68Å; I706-L750 HydrophobicContact CG2-CG 4.35Å; F743-L750 HydrophobicContact CE2-CD2 3.83Å; F743-L750 HydrophobicContact CZ-CD2 3.48Å; F743-L750 VanDerWaalsContact CZ-CD2 3.48Å; F746-L750 HydrophobicContact CD1-CD2 4.38Å; F746-L750 HydrophobicContact CD2-CB 4.05Å; F746-L750 HydrophobicContact CE1-CD2 3.71Å; F746-L750 HydrophobicContact CE2-CB 3.71Å; F746-L750 HydrophobicContact CE2-CD1 3.95Å; F746-L750 HydrophobicContact CE2-CD2 4.04Å; F746-L750 HydrophobicContact CE2-CG 4.1Å; F746-L750 HydrophobicContact CZ-CB 4.09Å; F746-L750 HydrophobicContact CZ-CD1 3.82Å; F746-L750 HydrophobicContact CZ-CD2 3.51Å; F746-L750 HydrophobicContact CZ-CG 4.01Å; F746-L750 VanDerWaalsContact O-CB 3.3Å; F746-L750 WeakPolarHBondContact O-CB 3.16Å; F746-L750 PolarHBondContact O-N 2.82Å; S747-L750 PolarHBondContact O-N 3.2Å; L750-Y753 HydrophobicContact CD1-CD1 4.08Å; L750-Y753 CarbonylContact O-C 3.54Å; L750-Y753 PolarHBondContact O-N 2.83Å; L750-L754 HydrophobicContact CD1-CD1 4.16Å; L750-L754 HydrophobicContact CD1-CG 4.15Å; L750-L754 HydrophobicContact CG-CD1 3.89Å; L750-L754 HydrophobicContact CG-CG 4.33Å; L750-L754 WeakPolarHBondContact O-CB 3.31Å; L750-L754 VanDerWaalsContact O-CG 3.26Å; L750-L754 WeakPolarHBondContact O-CG 3.46Å; L750-L754 PolarHBondContact O-N 3.42Å |
| 751 | A | 62.1 | Low | 56.1 | Low | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | H141 S747 Y753 L754 F755 | H141-A751 HydrophobicContact CB-CB 4.34Å; S747-A751 VanDerWaalsContact O-CB 3.29Å; S747-A751 WeakPolarHBondContact O-CB 3.41Å; S747-A751 PolarHBondContact O-N 3.46Å; A751-Y753 PolarHBondContact O-N 3.44Å; A751-L754 PolarHBondContact O-N 3.05Å; A751-F755 HydrophobicContact CB-CD2 4.04Å; A751-F755 HydrophobicContact CB-CE2 4.04Å; A751-F755 WeakPolarHBondContact O-CB 3.37Å; A751-F755 WeakPolarHBondContact O-CD2 3.4Å; A751-F755 WeakPolarHBondContact O-CG 3.44Å; A751-F755 PolarHBondContact O-N 3.42Å |
| 752 | S | 63.5 | Low | 56.3 | Low | 18 Ų | 18 | 49.5 Ų | 49.5 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.6 | -32.9 | 176.5 | -58.3 | 0 | 0 | 0 | 0 | 112.7 | T748 K749 G756 K757 V758 | T748-S752 VanDerWaalsContact O-CB 3.28Å; T748-S752 WeakPolarHBondContact O-CB 3.29Å; T748-S752 PolarHBondContact O-N 2.83Å; T748-S752 PolarHBondContact O-OG 2.89Å; K749-S752 CarbonylContact O-C 3.53Å; K749-S752 WeakPolarHBondContact O-CB 3.3Å; K749-S752 PolarHBondContact O-N 2.8Å; S752-G756 PolarHBondContact O-N 2.97Å; S752-K757 WeakPolarHBondContact O-CA 3.37Å; S752-K757 WeakPolarHBondContact O-CB 3.38Å; S752-K757 PolarHBondContact O-N 2.86Å; S752-V758 PolarHBondContact O-N 3.48Å; S752-V758 VanDerWaalsContact O-N 3.17Å |
| 753 | Y | 65.4 | Low | 56.5 | Low | 3 Ų | 3 | 44.5 Ų | 44.5 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.4 | -64.6 | 173.6 | 162.2 | -104.7 | 0 | 0 | 0 | 110.4 | L19 R22 E23 K749 L750 A751 F755 G756 V758 L760 L763 | L19-Y753 HydrophobicContact CD1-CE1 3.5Å; L19-Y753 VanDerWaalsContact CD1-CE1 3.5Å; L19-Y753 VanDerWaalsContact CD1-OH 3.3Å; L19-Y753 WeakPolarHBondContact CD1-OH 3.28Å; R22-Y753 PolarHBondContact NH1-O 3.29Å; R22-Y753 VanDerWaalsContact NH2-CD2 3.34Å; R22-Y753 PolarHBondContact NH2-O 3.48Å; E23-Y753 PolarHBondContact OE1-OH 3.36Å; K749-Y753 WeakPolarHBondContact O-CB 3Å; K749-Y753 PolarHBondContact O-N 2.94Å; L750-Y753 HydrophobicContact CD1-CD1 4.08Å; L750-Y753 CarbonylContact O-C 3.54Å; L750-Y753 PolarHBondContact O-N 2.83Å; A751-Y753 PolarHBondContact O-N 3.44Å; Y753-F755 PolarHBondContact O-N 3.08Å; Y753-G756 PolarHBondContact O-N 3.48Å; Y753-V758 WeakPolarHBondContact CA-O 3.47Å; Y753-V758 WeakPolarHBondContact CD2-O 3.44Å; Y753-L760 HydrophobicContact CD2-CB 4.29Å; Y753-L760 HydrophobicContact CE1-CD1 4.31Å; Y753-L760 HydrophobicContact CE2-CB 3.65Å; Y753-L760 HydrophobicContact CE2-CD1 4.05Å; Y753-L760 HydrophobicContact CE2-CG 4.4Å; Y753-L763 VanDerWaalsContact CB-CD1 3.47Å; Y753-L763 HydrophobicContact CD1-CD1 4.31Å; Y753-L763 HydrophobicContact CG-CD1 4Å |
| 754 | L | 66.2 | Low | 56.3 | Low | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -47 | -39.1 | -180 | -69 | 168.2 | 0 | 0 | 0 | 112.8 | H18 L19 R22 I706 L750 A751 | H18-L754 PolarHBondContact NE2-O 3.3Å; L19-L754 HydrophobicContact CB-CD2 4.22Å; L19-L754 HydrophobicContact CD1-CD2 4.43Å; R22-L754 PolarHBondContact NH1-O 3.15Å; I706-L754 HydrophobicContact CD1-CD1 3.56Å; I706-L754 HydrophobicContact CG1-CD1 4.22Å; L750-L754 HydrophobicContact CD1-CD1 4.16Å; L750-L754 HydrophobicContact CD1-CG 4.15Å; L750-L754 HydrophobicContact CG-CD1 3.89Å; L750-L754 HydrophobicContact CG-CG 4.33Å; L750-L754 WeakPolarHBondContact O-CB 3.31Å; L750-L754 VanDerWaalsContact O-CG 3.26Å; L750-L754 WeakPolarHBondContact O-CG 3.46Å; L750-L754 PolarHBondContact O-N 3.42Å; A751-L754 PolarHBondContact O-N 3.05Å |
| 755 | F | 66.7 | Low | 56.3 | Low | 29 Ų | 29 | 46.1 Ų | 46.1 | 13% | 0.127 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 23 | -178.4 | -47.2 | -56.8 | 0 | 0 | 0 | 114.3 | L142 M145 P374 L375 A751 Y753 | L142-F755 HydrophobicContact CB-CE2 4.26Å; L142-F755 HydrophobicContact CD1-CD1 3.83Å; L142-F755 HydrophobicContact CD1-CD2 3.73Å; L142-F755 HydrophobicContact CD1-CE1 3.7Å; L142-F755 HydrophobicContact CD1-CE2 3.63Å; L142-F755 HydrophobicContact CD1-CG 3.86Å; L142-F755 HydrophobicContact CD1-CZ 3.62Å; L142-F755 HydrophobicContact CD2-CE1 4.22Å; L142-F755 HydrophobicContact CD2-CE2 4.19Å; L142-F755 HydrophobicContact CD2-CZ 3.72Å; L142-F755 HydrophobicContact CG-CE2 4.25Å; L142-F755 HydrophobicContact CG-CZ 4.18Å; M145-F755 HydrophobicContact CE-CB 3.55Å; M145-F755 HydrophobicContact SD-CB 4.42Å; P374-F755 HydrophobicContact CB-CD1 3.81Å; P374-F755 HydrophobicContact CB-CE1 4.01Å; L375-F755 HydrophobicContact CD2-CE1 3.75Å; L375-F755 HydrophobicContact CD2-CZ 4.16Å; L375-F755 HydrophobicContact CG-CE1 4.31Å; A751-F755 HydrophobicContact CB-CD2 4.04Å; A751-F755 HydrophobicContact CB-CE2 4.04Å; A751-F755 WeakPolarHBondContact O-CB 3.37Å; A751-F755 WeakPolarHBondContact O-CD2 3.4Å; A751-F755 WeakPolarHBondContact O-CG 3.44Å; A751-F755 PolarHBondContact O-N 3.42Å; Y753-F755 PolarHBondContact O-N 3.08Å |
| 756 | G | 59.1 | Low | 56.2 | Low | 58 Ų | 58 | 46.1 Ų | 46.1 | 60% | 0.598 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.9 | 5.7 | 154 | 0 | 0 | 0 | 0 | 0 | 117.9 | S752 Y753 | S752-G756 PolarHBondContact O-N 2.97Å; Y753-G756 PolarHBondContact O-N 3.48Å |
| 757 | K | 57.3 | Low | 55.8 | Low | 128 Ų | 128 | 47.6 Ų | 47.6 | 56% | 0.557 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -91.6 | -16.5 | -178.5 | -68 | 178.9 | 175.7 | 170.2 | 0 | 114.6 | M145 S752 | M145-K757 HydrophobicContact CE-CD 4.12Å; M145-K757 HydrophobicContact SD-CD 4.08Å; M145-K757 PolarHBondContact SD-NZ 2.89Å; S752-K757 WeakPolarHBondContact O-CA 3.37Å; S752-K757 WeakPolarHBondContact O-CB 3.38Å; S752-K757 PolarHBondContact O-N 2.86Å |
| 758 | V | 56.6 | Low | 55.1 | Low | 39 Ų | 39 | 51.6 Ų | 51.6 | 24% | 0.236 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -137.8 | 133.7 | -174 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | R22 S752 Y753 R762 L763 | R22-V758 PolarHBondContact NH2-O 2.75Å; S752-V758 PolarHBondContact O-N 3.48Å; S752-V758 VanDerWaalsContact O-N 3.17Å; Y753-V758 WeakPolarHBondContact CA-O 3.47Å; Y753-V758 WeakPolarHBondContact CD2-O 3.44Å; V758-R762 HydrophobicContact CG1-CB 3.66Å; V758-L763 HydrophobicContact CG1-CB 4.12Å |
| 759 | Q | 56.1 | Low | 54.3 | Low | 127 Ų | 127 | 53.1 Ų | 53.1 | 59% | 0.593 | 29% | 0.29 | S | S | * | . | trans | -76.4 | 151.3 | 170 | -71.4 | 173.3 | -30.9 | 0 | 0 | 110.3 | N761 R762 L763 | Q759-N761 VanDerWaalsContact C-N 3.28Å; Q759-N761 PolarHBondContact O-N 2.73Å; Q759-R762 PolarHBondContact O-N 2.95Å; Q759-L763 PolarHBondContact O-N 3.11Å | ||
| 760 | L | 55.9 | Low | 53.5 | Low | 24 Ų | 24 | 57.3 Ų | 57.3 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -50.7 | -49.7 | 179.8 | -173.4 | 58.8 | 0 | 0 | 0 | 111 | E23 L735 Y753 R762 L763 L764 | E23-L760 WeakPolarHBondContact OE2-CD2 3.46Å; L735-L760 HydrophobicContact CD1-CD1 4.44Å; Y753-L760 HydrophobicContact CD2-CB 4.29Å; Y753-L760 HydrophobicContact CE1-CD1 4.31Å; Y753-L760 HydrophobicContact CE2-CB 3.65Å; Y753-L760 HydrophobicContact CE2-CD1 4.05Å; Y753-L760 HydrophobicContact CE2-CG 4.4Å; L760-R762 PolarHBondContact O-N 3.28Å; L760-R762 VanDerWaalsContact O-N 3.1Å; L760-L763 HydrophobicContact CD1-CD2 4.32Å; L760-L763 WeakPolarHBondContact O-CA 3.25Å; L760-L763 WeakPolarHBondContact O-CB 3.35Å; L760-L763 PolarHBondContact O-N 2.96Å; L760-L764 HydrophobicContact CD1-CD2 4.37Å; L760-L764 HydrophobicContact CD1-CG 4.46Å; L760-L764 HydrophobicContact CG-CD1 4.16Å; L760-L764 HydrophobicContact CG-CG 4.27Å; L760-L764 WeakPolarHBondContact O-CG 3.43Å; L760-L764 PolarHBondContact O-N 2.67Å |
| 761 | N | 49.7 | Very low | 52.3 | Low | 89 Ų | 89 | 58 Ų | 58 | 48% | 0.476 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.2 | -31.7 | 178 | -65.2 | -10.2 | 0 | 0 | 0 | 114.5 | Q759 N765 | Q759-N761 VanDerWaalsContact C-N 3.28Å; Q759-N761 PolarHBondContact O-N 2.73Å; N761-N765 VanDerWaalsContact O-CB 3.29Å; N761-N765 WeakPolarHBondContact O-CB 3.4Å; N761-N765 PolarHBondContact O-N 3.13Å; N761-N765 PolarHBondContact O-ND2 3.29Å |
| 762 | R | 51.1 | Low | 50.9 | Low | 161 Ų | 161 | 67.7 Ų | 67.7 | 61% | 0.608 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -74.7 | -38.8 | 173.7 | -74.3 | -175.8 | -179.2 | 175.5 | 0.5 | 111.6 | V758 Q759 L760 L764 N765 C766 | V758-R762 HydrophobicContact CG1-CB 3.66Å; Q759-R762 PolarHBondContact O-N 2.95Å; L760-R762 PolarHBondContact O-N 3.28Å; L760-R762 VanDerWaalsContact O-N 3.1Å; R762-L764 VanDerWaalsContact C-N 3.34Å; R762-N765 PolarHBondContact O-N 2.87Å; R762-C766 WeakPolarHBondContact O-CB 3.27Å; R762-C766 PolarHBondContact O-N 3.28Å; R762-C766 PolarHBondContact O-SG 3.18Å |
| 763 | L | 51.6 | Low | 49.5 | Very low | 3 Ų | 3 | 74.8 Ų | 74.8 | 2% | 0.016 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 176.1 | 177.7 | 149.6 | 0 | 0 | 0 | 111.4 | L735 F746 K749 Y753 V758 Q759 L760 | L735-L763 HydrophobicContact CD1-CD2 3.82Å; L735-L763 HydrophobicContact CD2-CD2 3.45Å; L735-L763 VanDerWaalsContact CD2-CD2 3.45Å; L735-L763 HydrophobicContact CG-CD2 4.24Å; F746-L763 HydrophobicContact CE2-CD1 4.48Å; F746-L763 HydrophobicContact CE2-CD2 4.32Å; K749-L763 HydrophobicContact CB-CD1 3.86Å; K749-L763 HydrophobicContact CB-CG 4.1Å; K749-L763 WeakPolarHBondContact O-CD1 3.4Å; Y753-L763 VanDerWaalsContact CB-CD1 3.47Å; Y753-L763 HydrophobicContact CD1-CD1 4.31Å; Y753-L763 HydrophobicContact CG-CD1 4Å; V758-L763 HydrophobicContact CG1-CB 4.12Å; Q759-L763 PolarHBondContact O-N 3.11Å; L760-L763 HydrophobicContact CD1-CD2 4.32Å; L760-L763 WeakPolarHBondContact O-CA 3.25Å; L760-L763 WeakPolarHBondContact O-CB 3.35Å; L760-L763 PolarHBondContact O-N 2.96Å |
| 764 | L | 47.6 | Very low | 48.1 | Very low | 4 Ų | 4 | 81.3 Ų | 81.3 | 2% | 0.021 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.1 | -56.5 | 171.2 | -57.8 | 177.5 | 0 | 0 | 0 | 111.2 | I728 D731 L735 L760 R762 C766 N767 | I728-L764 HydrophobicContact CG1-CD1 4.32Å; I728-L764 HydrophobicContact CG2-CD1 4.35Å; D731-L764 HydrophobicContact CB-CB 3.73Å; D731-L764 HydrophobicContact CB-CD1 4.18Å; D731-L764 HydrophobicContact CB-CD2 3.53Å; D731-L764 HydrophobicContact CB-CG 3.96Å; L735-L764 HydrophobicContact CD1-CD2 3.39Å; L735-L764 HydrophobicContact CG-CD2 4.09Å; L760-L764 HydrophobicContact CD1-CD2 4.37Å; L760-L764 HydrophobicContact CD1-CG 4.46Å; L760-L764 HydrophobicContact CG-CD1 4.16Å; L760-L764 HydrophobicContact CG-CG 4.27Å; L760-L764 WeakPolarHBondContact O-CG 3.43Å; L760-L764 PolarHBondContact O-N 2.67Å; R762-L764 VanDerWaalsContact C-N 3.34Å; L764-C766 VanDerWaalsContact C-N 3.31Å; L764-C766 PolarHBondContact O-N 2.87Å; L764-N767 PolarHBondContact O-N 3.4Å; L764-N767 VanDerWaalsContact O-N 3.1Å |
| 765 | N | 45.3 | Very low | 46.4 | Very low | 95 Ų | 95 | 90.7 Ų | 90.7 | 51% | 0.508 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.5 | -34 | -177.7 | -86.1 | -65.2 | 0 | 0 | 0 | 114.4 | N761 R762 N767 I768 | N761-N765 VanDerWaalsContact O-CB 3.29Å; N761-N765 WeakPolarHBondContact O-CB 3.4Å; N761-N765 PolarHBondContact O-N 3.13Å; N761-N765 PolarHBondContact O-ND2 3.29Å; R762-N765 PolarHBondContact O-N 2.87Å; N765-N767 PolarHBondContact O-N 2.93Å; N765-I768 WeakPolarHBondContact O-CB 3.28Å; N765-I768 PolarHBondContact O-N 3.03Å |
| 766 | C | 45 | Very low | 44.6 | Very low | 70 Ų | 70 | 99.7 Ų | 99.7 | 47% | 0.473 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -2.6 | 178.3 | -74.3 | 0 | 0 | 0 | 0 | 114.6 | K749 R762 L764 | K749-C766 HydrophobicContact CD-CB 4.42Å; K749-C766 PolarHBondContact NZ-O 2.94Å; R762-C766 WeakPolarHBondContact O-CB 3.27Å; R762-C766 PolarHBondContact O-N 3.28Å; R762-C766 PolarHBondContact O-SG 3.18Å; L764-C766 VanDerWaalsContact C-N 3.31Å; L764-C766 PolarHBondContact O-N 2.87Å |
| 767 | N | 44.2 | Very low | 43.4 | Very low | 37 Ų | 37 | 99.6 Ų | 99.6 | 20% | 0.198 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -18.8 | 169.7 | -71.3 | -14.7 | 0 | 0 | 0 | 112.8 | K749 L764 N765 | K749-N767 PolarHBondContact NZ-OD1 3.14Å; L764-N767 PolarHBondContact O-N 3.4Å; L764-N767 VanDerWaalsContact O-N 3.1Å; N765-N767 PolarHBondContact O-N 2.93Å |
| 768 | I | 38.2 | Very low | 42.3 | Very low | 86 Ų | 86 | 97.9 Ų | 97.9 | 44% | 0.441 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -38.7 | -178.4 | -56.8 | 178.1 | 0 | 0 | 0 | 111.4 | N765 N770 G771 | N765-I768 WeakPolarHBondContact O-CB 3.28Å; N765-I768 PolarHBondContact O-N 3.03Å; I768-N770 PolarHBondContact O-N 3.18Å; I768-G771 WeakPolarHBondContact O-CA 3.43Å; I768-G771 PolarHBondContact O-N 2.85Å |
| 769 | A | 38.2 | Very low | 41.1 | Very low | 85 Ų | 85 | 101.8 Ų | 101.8 | 70% | 0.702 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -35.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G771 | A769-G771 VanDerWaalsContact C-N 3.28Š|
| 770 | N | 40.9 | Very low | 40.1 | Very low | 137 Ų | 137 | 99.2 Ų | 99.2 | 73% | 0.733 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -0.9 | 173.6 | -73.4 | -21.7 | 0 | 0 | 0 | 112.9 | I768 K772 | I768-N770 PolarHBondContact O-N 3.18Å; N770-K772 PolarHBondContact O-N 2.87Å |
| 771 | G | 37 | Very low | 39 | Very low | 19 Ų | 19 | 104.8 Ų | 104.8 | 20% | 0.196 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -6.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | I768 A769 Q773 Y774 R775 | I768-G771 WeakPolarHBondContact O-CA 3.43Å; I768-G771 PolarHBondContact O-N 2.85Å; A769-G771 VanDerWaalsContact C-N 3.28Å; G771-Q773 PolarHBondContact O-N 3.09Å; G771-Q773 VanDerWaalsContact O-N 3.15Å; G771-Y774 PolarHBondContact O-N 2.73Å; G771-R775 PolarHBondContact O-N 3.4Å |
| 772 | K | 32.5 | Very low | 38.3 | Very low | 205 Ų | 205 | 103.6 Ų | 103.6 | 89% | 0.891 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -25.2 | -174.2 | -78 | -170.9 | 177.5 | -179.5 | 0 | 114.6 | N770 | N770-K772 PolarHBondContact O-N 2.87Š|
| 773 | Q | 35.8 | Very low | 37.5 | Very low | 167 Ų | 167 | 98.7 Ų | 98.7 | 78% | 0.78 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -24.5 | 169.8 | -80.6 | -176 | -22.3 | 0 | 0 | 113.8 | G771 | G771-Q773 PolarHBondContact O-N 3.09Å; G771-Q773 VanDerWaalsContact O-N 3.15Å |
| 774 | Y | 34.9 | Very low | 36.8 | Very low | 140 Ų | 140 | 104.3 Ų | 104.3 | 55% | 0.549 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -24.7 | -173.8 | -78.4 | -86 | 0 | 0 | 0 | 114.1 | G771 R776 V777 I778 | G771-Y774 PolarHBondContact O-N 2.73Å; Y774-R776 PolarHBondContact O-N 2.85Å; Y774-V777 PolarHBondContact O-N 3.13Å; Y774-I778 PolarHBondContact O-N 3.1Å; Y774-I778 VanDerWaalsContact O-N 3.08Å |
| 775 | R | 30.2 | Very low | 36.2 | Very low | 202 Ų | 202 | 110 Ų | 110 | 76% | 0.762 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -51.2 | -32.3 | 175.4 | -138.5 | 176.6 | -170.6 | -177.8 | 2.5 | 112.6 | G771 L779 | G771-R775 PolarHBondContact O-N 3.4Å; R775-L779 WeakPolarHBondContact O-CB 3.35Å; R775-L779 WeakPolarHBondContact O-CD1 3.43Å; R775-L779 VanDerWaalsContact O-CG 3.26Å; R775-L779 WeakPolarHBondContact O-CG 3.35Å; R775-L779 PolarHBondContact O-N 3.21Å |
| 776 | R | 28.7 | Very low | 35.7 | Very low | 217 Ų | 217 | 108.8 Ų | 108.8 | 82% | 0.819 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -82.3 | -19.8 | -179.8 | -133.9 | 176.1 | -170.3 | 169.8 | 3.1 | 115 | Y774 T780 | Y774-R776 PolarHBondContact O-N 2.85Å; R776-T780 PolarHBondContact O-OG1 2.79Å |
| 777 | V | 34.7 | Very low | 35.3 | Very low | 56 Ų | 56 | 108.1 Ų | 108.1 | 34% | 0.339 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -95.9 | -31.6 | -178.6 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | Y774 T780 R781 | Y774-V777 PolarHBondContact O-N 3.13Å; V777-T780 WeakPolarHBondContact CA-OG1 3.4Å; V777-T780 PolarHBondContact O-OG1 3.39Å; V777-R781 PolarHBondContact O-N 2.84Å |
| 778 | I | 33.9 | Very low | 34.9 | Very low | 92 Ų | 92 | 112.3 Ų | 112.3 | 47% | 0.472 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -79.2 | -40.9 | 178.2 | -62.7 | 173.4 | 0 | 0 | 0 | 110.6 | Y774 T780 R781 S782 | Y774-I778 PolarHBondContact O-N 3.1Å; Y774-I778 VanDerWaalsContact O-N 3.08Å; I778-T780 VanDerWaalsContact C-N 3.34Å; I778-T780 PolarHBondContact O-N 3.33Å; I778-R781 PolarHBondContact O-N 3.11Å; I778-S782 WeakPolarHBondContact O-CB 3.34Å; I778-S782 PolarHBondContact O-N 2.78Å |
| 779 | L | 31.1 | Very low | 34.8 | Very low | 122 Ų | 122 | 112.2 Ų | 112.2 | 64% | 0.639 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.8 | -35.3 | 176.6 | -74.3 | 172.3 | 0 | 0 | 0 | 113.2 | R775 A783 | R775-L779 WeakPolarHBondContact O-CB 3.35Å; R775-L779 WeakPolarHBondContact O-CD1 3.43Å; R775-L779 VanDerWaalsContact O-CG 3.26Å; R775-L779 WeakPolarHBondContact O-CG 3.35Å; R775-L779 PolarHBondContact O-N 3.21Å; L779-A783 WeakPolarHBondContact O-CB 3.34Å; L779-A783 PolarHBondContact O-N 2.7Å; L779-A783 VanDerWaalsContact O-N 3.09Å |
| 780 | T | 35.6 | Very low | 34.6 | Very low | 73 Ų | 73 | 113.3 Ų | 113.3 | 45% | 0.448 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.3 | -49 | 175.6 | 31.9 | 0 | 0 | 0 | 0 | 111.7 | R776 V777 I778 A783 E784 | R776-T780 PolarHBondContact O-OG1 2.79Å; V777-T780 WeakPolarHBondContact CA-OG1 3.4Å; V777-T780 PolarHBondContact O-OG1 3.39Å; I778-T780 VanDerWaalsContact C-N 3.34Å; I778-T780 PolarHBondContact O-N 3.33Å; T780-A783 PolarHBondContact O-N 3.41Å; T780-E784 WeakPolarHBondContact O-CB 3.46Å; T780-E784 VanDerWaalsContact O-CG 3.3Å; T780-E784 WeakPolarHBondContact O-CG 3.31Å; T780-E784 PolarHBondContact O-N 3.46Å |
| 781 | R | 34 | Very low | 34.3 | Very low | 141 Ų | 141 | 109.1 Ų | 109.1 | 53% | 0.532 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.3 | -34.9 | -179.8 | -74.1 | -178 | 166.1 | -158.3 | -9.9 | 114.2 | V777 I778 H785 | V777-R781 PolarHBondContact O-N 2.84Å; I778-R781 PolarHBondContact O-N 3.11Å; R781-H785 VanDerWaalsContact O-CB 3.24Å; R781-H785 WeakPolarHBondContact O-CB 3.48Å; R781-H785 PolarHBondContact O-N 2.75Å |
| 782 | S | 34.5 | Very low | 34.2 | Very low | 63 Ų | 63 | 114.8 Ų | 114.8 | 44% | 0.441 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.8 | -42.9 | 173.9 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | I778 E784 H785 T786 | I778-S782 WeakPolarHBondContact O-CB 3.34Å; I778-S782 PolarHBondContact O-N 2.78Å; S782-E784 PolarHBondContact O-N 3.35Å; S782-H785 PolarHBondContact O-N 3.28Å; S782-T786 VanDerWaalsContact O-CB 3.23Å; S782-T786 WeakPolarHBondContact O-CB 3.48Å; S782-T786 PolarHBondContact O-N 3.07Å; S782-T786 PolarHBondContact O-OG1 2.8Å |
| 783 | A | 33.9 | Very low | 34.3 | Very low | 59 Ų | 59 | 111.7 Ų | 111.7 | 49% | 0.488 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | L779 T780 H785 A787 | L779-A783 WeakPolarHBondContact O-CB 3.34Å; L779-A783 PolarHBondContact O-N 2.7Å; L779-A783 VanDerWaalsContact O-N 3.09Å; T780-A783 PolarHBondContact O-N 3.41Å; A783-H785 PolarHBondContact O-N 3.35Å; A783-A787 WeakPolarHBondContact O-CA 3.42Å; A783-A787 WeakPolarHBondContact O-CB 3.5Å; A783-A787 PolarHBondContact O-N 2.98Å |
| 784 | E | 36.8 | Very low | 34.2 | Very low | 121 Ų | 121 | 108.6 Ų | 108.6 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.5 | -36.2 | 177.2 | -74.5 | 168.1 | -175 | 0 | 0 | 113.6 | T780 S782 K788 | T780-E784 WeakPolarHBondContact O-CB 3.46Å; T780-E784 VanDerWaalsContact O-CG 3.3Å; T780-E784 WeakPolarHBondContact O-CG 3.31Å; T780-E784 PolarHBondContact O-N 3.46Å; S782-E784 PolarHBondContact O-N 3.35Å; E784-K788 WeakPolarHBondContact O-CB 3.24Å; E784-K788 VanDerWaalsContact O-CG 3.26Å; E784-K788 WeakPolarHBondContact O-CG 3.5Å; E784-K788 PolarHBondContact O-N 3.36Å |
| 785 | H | 35.2 | Very low | 34.2 | Very low | 123 Ų | 123 | 106.4 Ų | 106.4 | 57% | 0.569 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -78.2 | -45.2 | 179.8 | -158.7 | 78.6 | 0 | 0 | 0 | 111.2 | R781 S782 A783 K788 I789 | R781-H785 VanDerWaalsContact O-CB 3.24Å; R781-H785 WeakPolarHBondContact O-CB 3.48Å; R781-H785 PolarHBondContact O-N 2.75Å; S782-H785 PolarHBondContact O-N 3.28Å; A783-H785 PolarHBondContact O-N 3.35Å; H785-K788 PolarHBondContact O-N 2.89Å; H785-I789 WeakPolarHBondContact O-CG1 3.47Å; H785-I789 PolarHBondContact O-N 3.16Å |
| 786 | T | 35.1 | Very low | 34.2 | Very low | 69 Ų | 69 | 101.3 Ų | 101.3 | 42% | 0.423 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.6 | -39.4 | 176.2 | -51.1 | 0 | 0 | 0 | 0 | 111.5 | S782 K788 I789 L790 | S782-T786 VanDerWaalsContact O-CB 3.23Å; S782-T786 WeakPolarHBondContact O-CB 3.48Å; S782-T786 PolarHBondContact O-N 3.07Å; S782-T786 PolarHBondContact O-OG1 2.8Å; T786-K788 VanDerWaalsContact C-N 3.33Å; T786-K788 PolarHBondContact O-N 3.27Å; T786-I789 PolarHBondContact O-N 3.47Å; T786-L790 HydrophobicContact CG2-CD1 3.85Å; T786-L790 HydrophobicContact CG2-CG 4.33Å; T786-L790 VanDerWaalsContact O-CB 3.31Å; T786-L790 WeakPolarHBondContact O-CB 3.31Å; T786-L790 VanDerWaalsContact O-CG 3.27Å; T786-L790 WeakPolarHBondContact O-CG 3.4Å; T786-L790 PolarHBondContact O-N 2.97Å |
| 787 | A | 36.1 | Very low | 34.3 | Very low | 57 Ų | 57 | 98.4 Ų | 98.4 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.7 | -32.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A783 S791 | A783-A787 WeakPolarHBondContact O-CA 3.42Å; A783-A787 WeakPolarHBondContact O-CB 3.5Å; A783-A787 PolarHBondContact O-N 2.98Å; A787-S791 WeakPolarHBondContact O-CB 3.48Å; A787-S791 PolarHBondContact O-N 3.32Å; A787-S791 PolarHBondContact O-OG 2.9Å; A787-S791 VanDerWaalsContact O-OG 3.13Å |
| 788 | K | 36.9 | Very low | 34.1 | Very low | 124 Ų | 124 | 101.1 Ų | 101.1 | 54% | 0.539 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71 | -39.8 | 173.3 | -83.1 | 178.2 | 175.2 | -177.3 | 0 | 113.2 | E784 H785 T786 S791 Y792 | E784-K788 WeakPolarHBondContact O-CB 3.24Å; E784-K788 VanDerWaalsContact O-CG 3.26Å; E784-K788 WeakPolarHBondContact O-CG 3.5Å; E784-K788 PolarHBondContact O-N 3.36Å; H785-K788 PolarHBondContact O-N 2.89Å; T786-K788 VanDerWaalsContact C-N 3.33Å; T786-K788 PolarHBondContact O-N 3.27Å; K788-S791 WeakPolarHBondContact CA-OG 3.41Å; K788-S791 PolarHBondContact O-OG 3.37Å; K788-S791 VanDerWaalsContact O-OG 3.09Å; K788-Y792 WeakPolarHBondContact O-CB 3.4Å; K788-Y792 PolarHBondContact O-N 3.11Å |
| 789 | I | 35.4 | Very low | 33.9 | Very low | 84 Ų | 84 | 102.6 Ų | 102.6 | 43% | 0.431 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.8 | -45.6 | 175 | -69.1 | 166.2 | 0 | 0 | 0 | 109.8 | H785 T786 Y792 H793 | H785-I789 WeakPolarHBondContact O-CG1 3.47Å; H785-I789 PolarHBondContact O-N 3.16Å; T786-I789 PolarHBondContact O-N 3.47Å; I789-Y792 PolarHBondContact O-N 2.96Å; I789-H793 PolarHBondContact O-CD2 3.09Å; I789-H793 PolarHBondContact O-N 3.02Å |
| 790 | L | 33.7 | Very low | 33.9 | Very low | 108 Ų | 108 | 104.1 Ų | 104.1 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.4 | -33.1 | 177 | -68.9 | 171.6 | 0 | 0 | 0 | 113.3 | T786 T794 | T786-L790 HydrophobicContact CG2-CD1 3.85Å; T786-L790 HydrophobicContact CG2-CG 4.33Å; T786-L790 VanDerWaalsContact O-CB 3.31Å; T786-L790 WeakPolarHBondContact O-CB 3.31Å; T786-L790 VanDerWaalsContact O-CG 3.27Å; T786-L790 WeakPolarHBondContact O-CG 3.4Å; T786-L790 PolarHBondContact O-N 2.97Å; L790-T794 PolarHBondContact O-N 2.85Å; L790-T794 PolarHBondContact O-OG1 2.86Å |
| 791 | S | 34.9 | Very low | 33.6 | Very low | 49 Ų | 49 | 109 Ų | 109 | 34% | 0.343 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.1 | -39.8 | 175.2 | 69.7 | 0 | 0 | 0 | 0 | 111.6 | A787 K788 H793 T794 T795 | A787-S791 WeakPolarHBondContact O-CB 3.48Å; A787-S791 PolarHBondContact O-N 3.32Å; A787-S791 PolarHBondContact O-OG 2.9Å; A787-S791 VanDerWaalsContact O-OG 3.13Å; K788-S791 WeakPolarHBondContact CA-OG 3.41Å; K788-S791 PolarHBondContact O-OG 3.37Å; K788-S791 VanDerWaalsContact O-OG 3.09Å; S791-H793 VanDerWaalsContact C-N 3.31Å; S791-H793 PolarHBondContact O-N 3.39Å; S791-T794 WeakPolarHBondContact CA-OG1 3.49Å; S791-T794 CarbonylContact O-C 3.6Å; S791-T794 PolarHBondContact O-N 2.95Å; S791-T794 PolarHBondContact O-OG1 2.99Å; S791-T795 PolarHBondContact O-N 2.81Å; S791-T795 PolarHBondContact O-OG1 3.43Å; S791-T795 VanDerWaalsContact O-OG1 3.05Å |
| 792 | Y | 34.9 | Very low | 33.6 | Very low | 139 Ų | 139 | 108.5 Ų | 108.5 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.4 | -37 | 178 | -105.6 | -92.3 | 0 | 0 | 0 | 112.6 | K788 I789 T794 T796 | K788-Y792 WeakPolarHBondContact O-CB 3.4Å; K788-Y792 PolarHBondContact O-N 3.11Å; I789-Y792 PolarHBondContact O-N 2.96Å; Y792-T794 VanDerWaalsContact C-N 3.26Å; Y792-T794 PolarHBondContact O-N 3.17Å; Y792-T796 PolarHBondContact O-OG1 2.94Å |
| 793 | H | 34.4 | Very low | 33.3 | Very low | 140 Ų | 140 | 112.5 Ų | 112.5 | 65% | 0.648 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -4.4 | 173.6 | -77.9 | -69.5 | 0 | 0 | 0 | 114.5 | I789 S791 | I789-H793 PolarHBondContact O-CD2 3.09Å; I789-H793 PolarHBondContact O-N 3.02Å; S791-H793 VanDerWaalsContact C-N 3.31Å; S791-H793 PolarHBondContact O-N 3.39Å |
| 794 | T | 33.9 | Very low | 33.2 | Very low | 102 Ų | 102 | 116.8 Ų | 116.8 | 63% | 0.626 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | -2 | 177.4 | 47 | 0 | 0 | 0 | 0 | 114.7 | L790 S791 Y792 | L790-T794 PolarHBondContact O-N 2.85Å; L790-T794 PolarHBondContact O-OG1 2.86Å; S791-T794 WeakPolarHBondContact CA-OG1 3.49Å; S791-T794 CarbonylContact O-C 3.6Å; S791-T794 PolarHBondContact O-N 2.95Å; S791-T794 PolarHBondContact O-OG1 2.99Å; Y792-T794 VanDerWaalsContact C-N 3.26Å; Y792-T794 PolarHBondContact O-N 3.17Å |
| 795 | T | 33.9 | Very low | 33 | Very low | 94 Ų | 94 | 118.2 Ų | 118.2 | 58% | 0.577 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -123 | 16.8 | 178.3 | 61.7 | 0 | 0 | 0 | 0 | 114.9 | S791 | S791-T795 PolarHBondContact O-N 2.81Å; S791-T795 PolarHBondContact O-OG1 3.43Å; S791-T795 VanDerWaalsContact O-OG1 3.05Å |
| 796 | T | 31.7 | Very low | 32.8 | Very low | 95 Ų | 95 | 119.5 Ų | 119.5 | 58% | 0.583 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -115.6 | 10.1 | 179 | 43.6 | 0 | 0 | 0 | 0 | 114.2 | Y792 | Y792-T796 PolarHBondContact O-OG1 2.94Š|
| 797 | N | 30.9 | Very low | 32.4 | Very low | 156 Ų | 156 | 124.7 Ų | 124.7 | 83% | 0.834 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -130.9 | 31.5 | 177.4 | -98.8 | -2.9 | 0 | 0 | 0 | 113.1 | ||
| 798 | T | 29.5 | Very low | 32.1 | Very low | 113 Ų | 113 | 131 Ų | 131 | 69% | 0.693 | 69% | 0.688 | S | S | * | * | trans | -131.8 | 60.5 | 178.7 | 55.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 799 | T | 30 | Very low | 31.6 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -142.3 | 129.7 | 160.8 | 47.7 | 0 | 0 | 0 | 0 | 108.1 | ||
| 800 | N | 29.8 | Very low | 31.4 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 83% | 0.829 | 72% | 0.718 | S | S | * | * | trans | 70.6 | 90.1 | -178.6 | -47.3 | -21.8 | 0 | 0 | 0 | 115.7 | ||||
| 801 | I | 31 | Very low | 31.1 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 89% | 0.892 | 73% | 0.727 | S | S | * | * | trans | -155.7 | 134.2 | 132.2 | -94.2 | 140.8 | 0 | 0 | 0 | 106.7 | ||||
| 802 | T | 33 | Very low | 30.9 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -79.7 | 161 | -179 | 44.5 | 0 | 0 | 0 | 0 | 112.3 | N804 | T802-N804 PolarHBondContact O-N 3.07Š| ||
| 803 | D | 28.5 | Very low | 30.6 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -49.5 | 124.1 | 176.3 | -59.6 | -64.1 | 0 | 0 | 0 | 113.3 | ||
| 804 | N | 30.9 | Very low | 30.5 | Very low | 148 Ų | 148 | 145 Ų | 145 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | 172.6 | 160 | 119.4 | -84.5 | -38.2 | 0 | 0 | 0 | 112.3 | T802 | T802-N804 PolarHBondContact O-N 3.07Š| |||
| 805 | D | 33.2 | Very low | 30.5 | Very low | 151 Ų | 151 | 147.2 Ų | 147.2 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | trans | 70.7 | 81.6 | 162.6 | -58.5 | -23 | 0 | 0 | 0 | 120.2 | ||||
| 806 | E | 30.2 | Very low | 30.3 | Very low | 151 Ų | 151 | 150.3 Ų | 150.3 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | 20 | 138.5 | 128.4 | -68 | -161.1 | 154.8 | 0 | 0 | 122.6 | |||||
| 807 | K | 28.6 | Very low | 30.3 | Very low | 178 Ų | 178 | 154.2 Ų | 154.2 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | trans | 81.1 | 92.1 | 152.7 | -63.9 | 146.7 | 179.2 | 150.7 | 0 | 118.9 | ||||
| 808 | M | 28.8 | Very low | 30.2 | Very low | 188 Ų | 188 | 154.3 Ų | 154.3 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | -152.1 | 124.3 | 112.6 | -102 | -159.1 | -176.3 | 0 | 0 | 111.7 | |||||
| 809 | N | 26.7 | Very low | 30.3 | Very low | 162 Ų | 162 | 157 Ų | 157 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -96.6 | 118.2 | 179.1 | -104.8 | -42 | 0 | 0 | 0 | 110.5 | ||||
| 810 | I | 30.7 | Very low | 30.1 | Very low | 144 Ų | 144 | 155 Ų | 155 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | -125.8 | 117.5 | 162.4 | -60.6 | -178 | 0 | 0 | 0 | 108.7 | ||||
| 811 | K | 27.4 | Very low | 30.1 | Very low | 169 Ų | 169 | 153.8 Ų | 153.8 | 74% | 0.735 | 80% | 0.795 | S | S | * | * | trans | -80.8 | 131.6 | -171.7 | -70.7 | 172.2 | 152.8 | -149.8 | 0 | 113 | D813 | K811-D813 WeakPolarHBondContact CD-OD2 3.12Å; K811-D813 IonicContact NZ-OD2 3.48Å; K811-D813 PolarHBondContact NZ-OD2 3.42Å | ||
| 812 | F | 31.9 | Very low | 30.2 | Very low | 194 Ų | 194 | 152.4 Ų | 152.4 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -102 | 60.5 | 167.9 | -87.4 | -86.6 | 0 | 0 | 0 | 111.8 | N814 | F812-N814 PolarHBondContact O-N 3.04Š| ||
| 813 | D | 28.3 | Very low | 30.1 | Very low | 114 Ų | 114 | 152.4 Ų | 152.4 | 61% | 0.61 | 79% | 0.789 | S | S | * | * | trans | -84.2 | 5 | -172.7 | -80.8 | -28 | 0 | 0 | 0 | 115.4 | K811 | K811-D813 WeakPolarHBondContact CD-OD2 3.12Å; K811-D813 IonicContact NZ-OD2 3.48Å; K811-D813 PolarHBondContact NZ-OD2 3.42Å | ||
| 814 | N | 31.8 | Very low | 30.2 | Very low | 156 Ų | 156 | 150.6 Ų | 150.6 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -112.8 | 14.1 | -162.3 | -85.5 | -24.3 | 0 | 0 | 0 | 118.4 | F812 | F812-N814 PolarHBondContact O-N 3.04Š|
| 815 | I | 32.8 | Very low | 30.1 | Very low | 149 Ų | 149 | 153.1 Ų | 153.1 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -107.5 | -12.6 | -177.3 | -68.8 | 178 | 0 | 0 | 0 | 114.5 | ||
| 816 | N | 31 | Very low | 29.9 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -91.2 | 3.9 | -173.5 | -75.9 | -35.3 | 0 | 0 | 0 | 116.4 | ||
| 817 | H | 30.6 | Very low | 29.6 | Very low | 177 Ų | 177 | 155 Ų | 155 | 82% | 0.819 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -106.8 | 3.6 | -163.9 | -120.4 | -63.6 | 0 | 0 | 0 | 117.9 | ||
| 818 | I | 30.6 | Very low | 29.5 | Very low | 158 Ų | 158 | 151.9 Ų | 151.9 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -108.4 | -14.4 | -168 | -74.2 | 178.8 | 0 | 0 | 0 | 116.3 | ||
| 819 | I | 30.4 | Very low | 29.7 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -133.8 | 59.1 | 175.2 | -42 | -178.5 | 0 | 0 | 0 | 112.2 | ||
| 820 | A | 26.1 | Very low | 29.6 | Very low | 80 Ų | 80 | 148.8 Ų | 148.8 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | trans | -138.4 | 78.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 821 | T | 30.8 | Very low | 29.3 | Very low | 129 Ų | 129 | 152.2 Ų | 152.2 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -168.3 | 96 | 162.8 | 23.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 822 | N | 32.1 | Very low | 29.1 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | S | Bend | 170.1 | 98.9 | 118.8 | -86.2 | -24.4 | 0 | 0 | 0 | 112.8 | |||
| 823 | T | 30.5 | Very low | 28.8 | Very low | 131 Ų | 131 | 148.4 Ų | 148.4 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 62.1 | 124.8 | 142.8 | 48.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 824 | P | 30.3 | Very low | 28.6 | Very low | 110 Ų | 110 | 154.2 Ų | 154.2 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | trans | -100.5 | -163.5 | 177.2 | 42.5 | -37.5 | 0 | 0 | 0 | 113.4 | ||||
| 825 | F | 30.1 | Very low | 28.3 | Very low | 201 Ų | 201 | 157.6 Ų | 157.6 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | 103.2 | 132.8 | 178.6 | -66.3 | -75.5 | 0 | 0 | 0 | 114.4 | ||||
| 826 | S | 27.3 | Very low | 27.8 | Very low | 98 Ų | 98 | 161.8 Ų | 161.8 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | cis | -161.7 | 164.2 | -23.3 | 60.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 827 | R | 25.3 | Very low | 27.6 | Very low | 242 Ų | 242 | 165.3 Ų | 165.3 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | trans | 4.1 | 140 | 153.7 | -57.3 | 175.8 | 177.5 | 179.1 | -1.9 | 117.3 | ||||
| 828 | S | 26.9 | Very low | 27.4 | Very low | 113 Ų | 113 | 163.5 Ų | 163.5 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | cis | -166.1 | -170.1 | 24.5 | 82 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 829 | P | 33.4 | Very low | 27.2 | Very low | 103 Ų | 103 | 164.3 Ų | 164.3 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | trans | -102.2 | -179.4 | -159.7 | 41.9 | -39.6 | 0 | 0 | 0 | 117.9 | ||||
| 830 | F | 22.9 | Very low | 27 | Very low | 183 Ų | 183 | 160.9 Ų | 160.9 | 80% | 0.803 | 79% | 0.794 | S | S | * | * | trans | 84.2 | 151.5 | 155.7 | -93.4 | -78.5 | 0 | 0 | 0 | 121.6 | ||||
| 831 | Y | 24.8 | Very low | 27.2 | Very low | 216 Ų | 216 | 163 Ų | 163 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | 55.8 | 95.4 | 167.9 | -82.8 | -84.4 | 0 | 0 | 0 | 121.2 | ||||
| 832 | G | 24.1 | Very low | 26.9 | Very low | 68 Ų | 68 | 166.5 Ų | 166.5 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | 53.2 | 116.4 | 125.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 833 | Y | 24.6 | Very low | 26.8 | Very low | 214 Ų | 214 | 165.4 Ų | 165.4 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -151.3 | 134.5 | 138.8 | -131.8 | -100.4 | 0 | 0 | 0 | 111.9 | ||||
| 834 | R | 23.7 | Very low | 26.5 | Very low | 237 Ų | 237 | 164 Ų | 164 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | -76.2 | 130.2 | 162.1 | -84.3 | 176.7 | 165.3 | -179.5 | -1.4 | 108.3 | ||||
| 835 | R | 25.5 | Very low | 26.3 | Very low | 227 Ų | 227 | 170.4 Ų | 170.4 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | trans | -155.7 | 148.1 | 142.1 | -112 | 165.2 | -164.4 | -161.4 | 4.2 | 111.8 | ||||
| 836 | R | 23.9 | Very low | 26 | Very low | 236 Ų | 236 | 167.9 Ų | 167.9 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -78.5 | 147.4 | 176.7 | -58 | 172.5 | -176.2 | 160.1 | 1.2 | 108.7 | ||||
| 837 | Y | 26.3 | Very low | 25.9 | Very low | 232 Ų | 232 | 169.6 Ų | 169.6 | 91% | 0.91 | 82% | 0.819 | S | S | * | * | trans | -119 | 135.7 | 147.6 | -95.6 | -89.3 | 0 | 0 | 0 | 109.5 | ||||
| 838 | N | 25.1 | Very low | 25.9 | Very low | 139 Ų | 139 | 166.5 Ų | 166.5 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | trans | -126.4 | 171.5 | 171.1 | -132.2 | 19.2 | 0 | 0 | 0 | 105.7 | ||||
| 839 | H | 27.7 | Very low | 25.9 | Very low | 175 Ų | 175 | 168.4 Ų | 168.4 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | 81.3 | 143.5 | -173.6 | -60.5 | -79.2 | 0 | 0 | 0 | 115.2 | ||||
| 840 | S | 26.4 | Very low | 25.5 | Very low | 99 Ų | 99 | 172.9 Ų | 172.9 | 69% | 0.692 | 83% | 0.828 | S | S | * | * | cis | 162.6 | 118.9 | -35.4 | 48.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 841 | S | 29.8 | Very low | 25.7 | Very low | 125 Ų | 125 | 170.9 Ų | 170.9 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -154.9 | 148 | 159.7 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 842 | K | 24.2 | Very low | 25.7 | Very low | 202 Ų | 202 | 166 Ų | 166 | 88% | 0.878 | 82% | 0.823 | S | S | * | * | trans | -91 | 144.4 | -171.8 | -59.8 | 165.8 | 176.3 | 175.7 | 0 | 110.2 | ||||
| 843 | S | 29.5 | Very low | 25.9 | Very low | 122 Ų | 122 | 167 Ų | 167 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -145.2 | 132.8 | 143.6 | 54 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 844 | C | 24.2 | Very low | 25.8 | Very low | 102 Ų | 102 | 166.5 Ų | 166.5 | 69% | 0.689 | 82% | 0.82 | S | S | * | * | trans | -94 | 137.2 | -169.9 | -52 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 845 | W | 25.8 | Very low | 26 | Very low | 245 Ų | 245 | 160.2 Ų | 160.2 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | trans | -142.9 | 141.1 | 149.7 | -85.1 | 93 | 0 | 0 | 0 | 108.5 | ||||
| 846 | N | 24.2 | Very low | 26.1 | Very low | 148 Ų | 148 | 155.5 Ų | 155.5 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -74.8 | 135.8 | -148.5 | -66 | -16.6 | 0 | 0 | 0 | 115.5 | ||||
| 847 | T | 25.1 | Very low | 26.2 | Very low | 133 Ų | 133 | 149 Ų | 149 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | -101.5 | 102.4 | 160.9 | 48.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 848 | E | 25 | Very low | 26.4 | Very low | 178 Ų | 178 | 147 Ų | 147 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -156.7 | 81.6 | 170.6 | -121.9 | 167.2 | -136.2 | 0 | 0 | 111.3 | ||||
| 849 | N | 27.4 | Very low | 26.5 | Very low | 153 Ų | 153 | 144 Ų | 144 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 172.9 | 57.9 | 146 | -92.9 | -34.7 | 0 | 0 | 0 | 110.5 | N851 | N849-N851 PolarHBondContact O-N 3.44Š| ||
| 850 | E | 25.8 | Very low | 26.7 | Very low | 197 Ų | 197 | 144.9 Ų | 144.9 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -83.1 | 92.8 | 160.4 | -70.6 | -171 | 150 | 0 | 0 | 108.5 | ||||
| 851 | N | 26.7 | Very low | 26.7 | Very low | 141 Ų | 141 | 147.6 Ų | 147.6 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | -134.3 | 120.6 | 169.6 | -102.1 | -35.4 | 0 | 0 | 0 | 112 | N849 | N849-N851 PolarHBondContact O-N 3.44Š| ||
| 852 | S | 25.2 | Very low | 26.5 | Very low | 113 Ų | 113 | 148.6 Ų | 148.6 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | 52.6 | 98.9 | 161 | 58.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 853 | C | 26.6 | Very low | 26.9 | Very low | 88 Ų | 88 | 149.2 Ų | 149.2 | 60% | 0.595 | 80% | 0.796 | S | S | * | * | trans | -133.8 | 105.6 | 139.4 | -171.3 | 0 | 0 | 0 | 0 | 109.3 | C855 | C853-C855 PolarHBondContact O-N 3.41Å; C853-C855 VanDerWaalsContact O-N 3.14Å | ||
| 854 | K | 24 | Very low | 26.9 | Very low | 205 Ų | 205 | 155 Ų | 155 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 23.9 | -175 | -80.5 | -173.8 | 173.4 | 179.8 | 0 | 114.4 | ||
| 855 | C | 27.8 | Very low | 27.1 | Very low | 105 Ų | 105 | 155.5 Ų | 155.5 | 71% | 0.709 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -2.2 | -172.6 | -55 | 0 | 0 | 0 | 0 | 114.5 | C853 S857 | C853-C855 PolarHBondContact O-N 3.41Å; C853-C855 VanDerWaalsContact O-N 3.14Å; C855-S857 PolarHBondContact O-N 3.05Å |
| 856 | C | 27.1 | Very low | 27.3 | Very low | 128 Ų | 128 | 155.3 Ų | 155.3 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | -97.7 | 70.8 | -176 | -70.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 857 | S | 26 | Very low | 27.4 | Very low | 98 Ų | 98 | 156.1 Ų | 156.1 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | trans | -133.2 | 24.6 | 178.5 | 52.4 | 0 | 0 | 0 | 0 | 115 | C855 | C855-S857 PolarHBondContact O-N 3.05Š| ||
| 858 | Y | 30 | Very low | 27.6 | Very low | 192 Ų | 192 | 156.3 Ų | 156.3 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -130.9 | 141.5 | 165.1 | -92 | -87.5 | 0 | 0 | 0 | 111.2 | ||
| 859 | A | 28.2 | Very low | 27.7 | Very low | 74 Ų | 74 | 153.6 Ų | 153.6 | 61% | 0.612 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 70.6 | 54.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 860 | H | 30.8 | Very low | 27.7 | Very low | 195 Ų | 195 | 153 Ų | 153 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | trans | -165.8 | 89.8 | 138.9 | -100.3 | -51 | 0 | 0 | 0 | 112.7 | ||||
| 861 | I | 26.5 | Very low | 27.7 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 80% | 0.795 | 80% | 0.799 | S | S | * | * | trans | -83.8 | 139.5 | 163.8 | -61.6 | 179.5 | 0 | 0 | 0 | 108.9 | ||||
| 862 | N | 27.2 | Very low | 27.7 | Very low | 146 Ų | 146 | 151.5 Ų | 151.5 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | trans | 74.9 | 94.1 | 176.5 | -66.6 | -46.7 | 0 | 0 | 0 | 119 | ||||
| 863 | K | 31.4 | Very low | 27.8 | Very low | 215 Ų | 215 | 157.5 Ų | 157.5 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | trans | -143.5 | 131.5 | 130.5 | -107 | 165.6 | -170.5 | 171.3 | 0 | 110.4 | ||||
| 864 | R | 30.2 | Very low | 27.8 | Very low | 243 Ų | 243 | 156.8 Ų | 156.8 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 134.9 | -166.3 | -67.5 | 170.7 | 170.3 | 167.7 | -6.1 | 113.6 | ||
| 865 | S | 28.6 | Very low | 28.1 | Very low | 114 Ų | 114 | 159.4 Ų | 159.4 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 144.3 | 146.4 | 52.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 866 | R | 28.9 | Very low | 28.3 | Very low | 241 Ų | 241 | 158.2 Ų | 158.2 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 118.9 | 175.1 | -79.4 | 179.2 | 172.5 | 171.2 | -2.7 | 109.7 | ||
| 867 | L | 26.1 | Very low | 28.4 | Very low | 165 Ų | 165 | 164.5 Ų | 164.5 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | trans | -109.6 | 120.7 | 155.8 | -89.4 | 161.3 | 0 | 0 | 0 | 108.1 | ||||
| 868 | T | 30.2 | Very low | 28.5 | Very low | 137 Ų | 137 | 163.2 Ų | 163.2 | 84% | 0.84 | 84% | 0.836 | S | S | * | * | trans | -97.1 | 123.2 | 168.9 | 39.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 869 | T | 27 | Very low | 28.4 | Very low | 120 Ų | 120 | 166.2 Ų | 166.2 | 74% | 0.736 | 85% | 0.846 | S | S | * | * | trans | -88.5 | 133.6 | -176.6 | 43.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 870 | T | 27.3 | Very low | 28.2 | Very low | 140 Ų | 140 | 166.4 Ų | 166.4 | 86% | 0.859 | 86% | 0.855 | S | S | * | * | trans | 54.8 | 118.2 | 140.2 | 60.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 871 | G | 26.5 | Very low | 28.1 | Very low | 77 Ų | 77 | 168.6 Ų | 168.6 | 79% | 0.794 | 86% | 0.855 | S | S | * | * | trans | -164 | 87.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 872 | R | 26.5 | Very low | 28 | Very low | 230 Ų | 230 | 169.1 Ų | 169.1 | 87% | 0.868 | 86% | 0.858 | S | S | * | * | trans | 29.7 | 109.3 | 154.2 | -82.5 | -178.4 | 167 | -176.3 | -2.7 | 119.4 | ||||
| 873 | R | 27.9 | Very low | 27.9 | Very low | 240 Ų | 240 | 173.7 Ų | 173.7 | 91% | 0.906 | 86% | 0.864 | S | S | * | * | 169.6 | 138.1 | 101.8 | -96.6 | 168.2 | 175.9 | 177.7 | -1.5 | 109.8 | |||||
| 874 | G | 26.5 | Very low | 27.6 | Very low | 72 Ų | 72 | 166.7 Ų | 166.7 | 74% | 0.742 | 85% | 0.853 | S | S | * | * | trans | -96.4 | 158.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 875 | R | 30 | Very low | 27.4 | Very low | 260 Ų | 260 | 161.5 Ų | 161.5 | 98% | 0.981 | 85% | 0.852 | S | S | * | * | trans | 177.2 | 151.2 | 142.9 | -99.8 | 172 | -177.6 | -160.5 | 0.6 | 108.4 | ||||
| 876 | G | 31.6 | Very low | 27.3 | Very low | 81 Ų | 81 | 161.2 Ų | 161.2 | 84% | 0.835 | 85% | 0.846 | S | S | * | * | trans | 113.1 | 86 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 877 | R | 29.4 | Very low | 27.4 | Very low | 259 Ų | 259 | 157.5 Ų | 157.5 | 98% | 0.977 | 84% | 0.842 | S | S | * | * | trans | -78.3 | 146 | 161.6 | -68.5 | 173.2 | 168.9 | 174.1 | -5.2 | 108.9 | ||||
| 878 | G | 27.1 | Very low | 27.5 | Very low | 72 Ų | 72 | 158.3 Ų | 158.3 | 74% | 0.742 | 84% | 0.835 | S | S | * | * | trans | 160.4 | 89.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 879 | R | 28.6 | Very low | 27.8 | Very low | 255 Ų | 255 | 156.9 Ų | 156.9 | 96% | 0.962 | 82% | 0.822 | S | S | * | * | trans | 45.8 | 102.2 | 146.5 | -64.5 | -179.4 | 173.6 | 175.8 | -2.7 | 119.9 | ||||
| 880 | G | 25 | Very low | 28.2 | Very low | 78 Ų | 78 | 161 Ų | 161 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | 77.6 | 112.1 | 112.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 881 | R | 26.8 | Very low | 28.7 | Very low | 241 Ų | 241 | 165.4 Ų | 165.4 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | -162.5 | 125.9 | 128.9 | -112.8 | 170.5 | -178.4 | 174.8 | 1.1 | 111.2 | |||||
| 882 | I | 25.4 | Very low | 29 | Very low | 166 Ų | 166 | 164 Ų | 164 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -85.3 | 136.2 | 168.3 | -65.2 | 164.8 | 0 | 0 | 0 | 107.7 | ||||
| 883 | R | 25.9 | Very low | 29.7 | Very low | 242 Ų | 242 | 160 Ų | 160 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | trans | -139.4 | 107.8 | 157.6 | -83.8 | -169.2 | 169.6 | -179.8 | -4.4 | 108.6 | ||||
| 884 | G | 24.9 | Very low | 29.8 | Very low | 68 Ų | 68 | 156.1 Ų | 156.1 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | -79.3 | 162 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 885 | C | 25.1 | Very low | 30.1 | Very low | 133 Ų | 133 | 160.3 Ų | 160.3 | 90% | 0.899 | 82% | 0.817 | S | S | * | * | trans | -135.7 | 120.8 | 166.7 | -117.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 886 | T | 26.7 | Very low | 30.2 | Very low | 109 Ų | 109 | 152.5 Ų | 152.5 | 67% | 0.669 | 81% | 0.808 | S | S | * | * | trans | -103.1 | 133.5 | 179.8 | -46.9 | 0 | 0 | 0 | 0 | 107.9 | Y888 | T886-Y888 HydrophobicContact CG2-CE2 4.06Š| ||
| 887 | I | 30.2 | Very low | 30 | Very low | 163 Ų | 163 | 157.5 Ų | 157.5 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -112 | 120.5 | 178.9 | -59.2 | 175.7 | 0 | 0 | 0 | 108.4 | ||||
| 888 | Y | 29.1 | Very low | 29.9 | Very low | 181 Ų | 181 | 152 Ų | 152 | 71% | 0.71 | 81% | 0.805 | S | S | * | * | trans | -96.6 | 155.6 | 177.4 | -67.3 | -91.9 | 0 | 0 | 0 | 110.9 | T886 | T886-Y888 HydrophobicContact CG2-CE2 4.06Š| ||
| 889 | N | 37 | Very low | 29.8 | Very low | 107 Ų | 107 | 153.2 Ų | 153.2 | 57% | 0.572 | 80% | 0.802 | S | S | * | * | trans | -89.1 | 168 | 160.9 | 69 | 23.4 | 0 | 0 | 0 | 110.3 | R891 G892 | N889-R891 PolarHBondContact O-N 3.11Å; N889-R891 PolarHBondContact OD1-N 2.84Å; N889-G892 PolarHBondContact O-N 3.05Å; N889-G892 PolarHBondContact OD1-N 3.28Å | ||
| 890 | Q | 34.6 | Very low | 29.7 | Very low | 206 Ų | 206 | 150 Ų | 150 | 96% | 0.963 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 6.4 | -174.3 | -71.3 | -177.2 | -16.8 | 0 | 0 | 115.7 | ||
| 891 | R | 37.2 | Very low | 29.6 | Very low | 234 Ų | 234 | 149.8 Ų | 149.8 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136 | 7.6 | 177.5 | -72 | -169.6 | 177 | -178.4 | -0.6 | 115.8 | N889 N893 | N889-R891 PolarHBondContact O-N 3.11Å; N889-R891 PolarHBondContact OD1-N 2.84Å; R891-N893 VanDerWaalsContact C-N 3.33Å; R891-N893 PolarHBondContact O-N 3.44Å; R891-N893 VanDerWaalsContact O-N 3.1Å |
| 892 | G | 33.6 | Very low | 29.6 | Very low | 47 Ų | 47 | 147.9 Ų | 147.9 | 49% | 0.485 | 79% | 0.793 | S | S | . | * | trans | 71.1 | 4.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | N889 | N889-G892 PolarHBondContact O-N 3.05Å; N889-G892 PolarHBondContact OD1-N 3.28Å | ||
| 893 | N | 40.9 | Very low | 29.6 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -109.6 | 149.7 | 180 | -80.1 | -21.4 | 0 | 0 | 0 | 113.4 | R891 | R891-N893 VanDerWaalsContact C-N 3.33Å; R891-N893 PolarHBondContact O-N 3.44Å; R891-N893 VanDerWaalsContact O-N 3.1Å | ||
| 894 | L | 29.5 | Very low | 29.5 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -141 | 125.7 | -164.7 | -167.7 | 153.3 | 0 | 0 | 0 | 110.3 | ||||
| 895 | N | 33.4 | Very low | 29.6 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | 172.7 | 153.6 | 165.4 | -92.5 | -22.2 | 0 | 0 | 0 | 108.6 | ||||
| 896 | A | 32.1 | Very low | 29.6 | Very low | 95 Ų | 95 | 145.8 Ų | 145.8 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | cis | -144.4 | 177.5 | -0.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 897 | Q | 26.4 | Very low | 29.7 | Very low | 187 Ų | 187 | 144.6 Ų | 144.6 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | -84.7 | 147.6 | -177.5 | -58.6 | 162.1 | -82.8 | 0 | 0 | 113.7 | ||||
| 898 | V | 28.4 | Very low | 29.5 | Very low | 144 Ų | 144 | 147.5 Ų | 147.5 | 87% | 0.873 | 76% | 0.755 | S | S | * | * | trans | -140.7 | 141.2 | 139.4 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 899 | S | 24.6 | Very low | 29.5 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | -121.6 | 133.9 | -174.7 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 900 | H | 27.6 | Very low | 29 | Very low | 187 Ų | 187 | 149.2 Ų | 149.2 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | -145.5 | 139.6 | 154.1 | -85.6 | 100.9 | 0 | 0 | 0 | 109.9 | ||||
| 901 | G | 23 | Very low | 28.7 | Very low | 73 Ų | 73 | 145 Ų | 145 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | -107.2 | 158.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 902 | F | 26.3 | Very low | 28.4 | Very low | 201 Ų | 201 | 140 Ų | 140 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | trans | -123.5 | 128.4 | 172.7 | -80.1 | -84.6 | 0 | 0 | 0 | 111.5 | ||||
| 903 | I | 24.2 | Very low | 28.1 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -81 | 127.7 | 174.4 | -65.9 | 169.6 | 0 | 0 | 0 | 108.8 | K905 | I903-K905 HydrophobicContact CG2-CG 4.22Š| ||
| 904 | V | 25 | Very low | 27.5 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | trans | -101 | 115.7 | 177.5 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | R906 | V904-R906 HydrophobicContact CG1-CG 4.33Š| ||
| 905 | K | 26.2 | Very low | 27.7 | Very low | 97 Ų | 97 | 152.5 Ų | 152.5 | 42% | 0.422 | 79% | 0.786 | S | S | . | * | trans | -110.5 | 135.5 | 172.2 | -75.3 | -159.4 | 164.9 | 163.1 | 0 | 108.7 | I903 D1102 I1104 | I903-K905 HydrophobicContact CG2-CG 4.22Å; K905-D1102 IonicContact NZ-OD1 2.6Å; K905-D1102 PolarHBondContact NZ-OD1 3.02Å; K905-I1104 HydrophobicContact CB-CD1 4.2Å; K905-I1104 HydrophobicContact CB-CG1 3.54Å; K905-I1104 HydrophobicContact CD-CD1 4.39Å; K905-I1104 HydrophobicContact CD-CG1 3.58Å; K905-I1104 HydrophobicContact CG-CD1 3.84Å; K905-I1104 HydrophobicContact CG-CG1 3.37Å | ||
| 906 | R | 24.5 | Very low | 27.5 | Very low | 196 Ų | 196 | 148.2 Ų | 148.2 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | trans | -133 | 121.5 | -168 | -93.7 | -164.4 | 179.8 | -172.7 | 3.3 | 115.7 | V904 I1104 | V904-R906 HydrophobicContact CG1-CG 4.33Å; R906-I1104 VanDerWaalsContact C-CG2 3.4Å; R906-I1104 WeakPolarHBondContact O-CG2 3.29Å | ||
| 907 | P | 29.8 | Very low | 27.6 | Very low | 83 Ų | 83 | 151.3 Ų | 151.3 | 54% | 0.539 | 78% | 0.778 | S | S | . | * | trans | -74.6 | 159.2 | 165.9 | 5.1 | 4.2 | 0 | 0 | 0 | 113.7 | Q1105 | P907-Q1105 VanDerWaalsContact CB-C 3.41Å; P907-Q1105 HydrophobicContact CB-CB 3.88Å; P907-Q1105 HydrophobicContact CB-CG 4.48Å; P907-Q1105 WeakPolarHBondContact CB-O 3.35Å; P907-Q1105 WeakPolarHBondContact CD-OXT 3.47Å; P907-Q1105 VanDerWaalsContact CG-C 3.41Å; P907-Q1105 WeakPolarHBondContact CG-O 2.93Å; P907-Q1105 WeakPolarHBondContact CG-OXT 3.43Å | ||
| 908 | R | 26.2 | Very low | 27.9 | Very low | 225 Ų | 225 | 145.6 Ų | 145.6 | 85% | 0.849 | 76% | 0.763 | S | S | * | * | trans | -125.5 | 90.3 | 169.5 | -69.3 | 179.7 | 173.1 | 179.9 | 0.4 | 110.8 | Q1105 | R908-Q1105 VanDerWaalsContact N-CD 3.34Å; R908-Q1105 PolarHBondContact O-OE1 3.23Å | ||
| 909 | G | 28.5 | Very low | 28 | Very low | 72 Ų | 72 | 141.8 Ų | 141.8 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | -113.8 | 134.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 910 | R | 26.4 | Very low | 28.3 | Very low | 252 Ų | 252 | 143.1 Ų | 143.1 | 95% | 0.951 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -89 | 130.4 | 177.6 | -76.5 | -179 | 174.1 | 178 | 0.5 | 111.2 | ||
| 911 | P | 29.4 | Very low | 28.6 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 145.1 | 173.1 | 33.2 | -33.7 | 0 | 0 | 0 | 112.8 | ||
| 912 | P | 29.7 | Very low | 29 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 85% | 0.851 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 167.4 | 171.9 | 30.9 | -33.8 | 0 | 0 | 0 | 112.7 | ||
| 913 | K | 28.8 | Very low | 29.4 | Very low | 195 Ų | 195 | 134.6 Ų | 134.6 | 85% | 0.848 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 154.5 | -170.2 | -64.5 | 170.4 | 177.7 | 166 | 0 | 112.9 | ||
| 914 | R | 28.5 | Very low | 29.9 | Very low | 239 Ų | 239 | 130.3 Ų | 130.3 | 90% | 0.902 | 68% | 0.681 | S | S | * | * | trans | 78.5 | 107.9 | 161.5 | -57.2 | 177.1 | 171.7 | 178.4 | -2.5 | 117.5 | ||||
| 915 | Q | 32 | Very low | 30.4 | Very low | 179 Ų | 179 | 133.9 Ų | 133.9 | 84% | 0.836 | 68% | 0.682 | S | S | * | * | trans | -162.7 | 2.7 | 141.9 | -111.8 | 176.4 | 37.4 | 0 | 0 | 116.1 | H917 A918 | Q915-H917 PolarHBondContact O-N 3.3Å; Q915-A918 PolarHBondContact O-N 3.11Å | ||
| 916 | G | 30.8 | Very low | 30.8 | Very low | 71 Ų | 71 | 131.6 Ų | 131.6 | 73% | 0.732 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 11.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||
| 917 | H | 33.3 | Very low | 31.4 | Very low | 160 Ų | 160 | 128 Ų | 128 | 74% | 0.741 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -13.3 | 176.8 | -76.1 | 98.6 | 0 | 0 | 0 | 114.2 | Q915 | Q915-H917 PolarHBondContact O-N 3.3Š|
| 918 | A | 32.5 | Very low | 31.8 | Very low | 66 Ų | 66 | 132.8 Ų | 132.8 | 55% | 0.545 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -72.1 | -35.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q915 L920 H921 A922 | Q915-A918 PolarHBondContact O-N 3.11Å; A918-L920 PolarHBondContact O-N 3.17Å; A918-H921 PolarHBondContact O-N 3.14Å; A918-A922 WeakPolarHBondContact O-CB 3.36Å; A918-A922 PolarHBondContact O-N 3.08Å |
| 919 | A | 30.7 | Very low | 32.1 | Very low | 65 Ų | 65 | 129.7 Ų | 129.7 | 54% | 0.537 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -63 | -42.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | H921 A922 I923 | A919-H921 VanDerWaalsContact C-N 3.34Å; A919-H921 PolarHBondContact O-N 2.83Å; A919-A922 PolarHBondContact O-N 3.4Å; A919-I923 WeakPolarHBondContact O-CG1 3.42Å; A919-I923 PolarHBondContact O-N 3.46Å |
| 920 | L | 31.1 | Very low | 32.4 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 65% | 0.649 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67.1 | -34.4 | 176.4 | -80.9 | 159.7 | 0 | 0 | 0 | 112.4 | A918 S924 | A918-L920 PolarHBondContact O-N 3.17Å; L920-S924 WeakPolarHBondContact O-CB 3.12Å; L920-S924 PolarHBondContact O-N 2.95Å |
| 921 | H | 33.4 | Very low | 32.9 | Very low | 137 Ų | 137 | 126 Ų | 126 | 63% | 0.634 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -73.2 | -33.3 | 174.6 | -111.7 | -88 | 0 | 0 | 0 | 112.9 | A918 A919 S924 R925 | A918-H921 PolarHBondContact O-N 3.14Å; A919-H921 VanDerWaalsContact C-N 3.34Å; A919-H921 PolarHBondContact O-N 2.83Å; H921-S924 PolarHBondContact O-N 3.38Å; H921-R925 WeakPolarHBondContact O-CB 3.41Å; H921-R925 PolarHBondContact O-N 3.13Å |
| 922 | A | 32 | Very low | 33.2 | Very low | 39 Ų | 39 | 126.3 Ų | 126.3 | 32% | 0.322 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66.9 | -46.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A918 A919 S924 R925 A926 | A918-A922 WeakPolarHBondContact O-CB 3.36Å; A918-A922 PolarHBondContact O-N 3.08Å; A919-A922 PolarHBondContact O-N 3.4Å; A922-S924 VanDerWaalsContact C-N 3.3Å; A922-S924 PolarHBondContact O-N 3.28Å; A922-R925 PolarHBondContact O-N 2.89Å; A922-A926 PolarHBondContact O-N 3.01Å |
| 923 | I | 34.5 | Very low | 33.5 | Very low | 106 Ų | 106 | 122.8 Ų | 122.8 | 54% | 0.544 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -60.1 | -41.1 | 175.2 | -66.5 | 164.4 | 0 | 0 | 0 | 110.8 | A919 A926 H927 | A919-I923 WeakPolarHBondContact O-CG1 3.42Å; A919-I923 PolarHBondContact O-N 3.46Å; I923-A926 PolarHBondContact O-N 3.05Å; I923-H927 PolarHBondContact O-N 3.09Å |
| 924 | S | 34.4 | Very low | 33.8 | Very low | 64 Ų | 64 | 117.3 Ų | 117.3 | 45% | 0.448 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.5 | -33.6 | 176.5 | -164.2 | 0 | 0 | 0 | 0 | 113.3 | L920 H921 A922 R928 | L920-S924 WeakPolarHBondContact O-CB 3.12Å; L920-S924 PolarHBondContact O-N 2.95Å; H921-S924 PolarHBondContact O-N 3.38Å; A922-S924 VanDerWaalsContact C-N 3.3Å; A922-S924 PolarHBondContact O-N 3.28Å; S924-R928 PolarHBondContact O-N 3.48Å; S924-R928 VanDerWaalsContact O-N 3.09Å |
| 925 | R | 36.8 | Very low | 34.1 | Very low | 195 Ų | 195 | 109.1 Ų | 109.1 | 74% | 0.736 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.2 | -44 | 171.6 | -96 | -176 | 172.9 | 164 | -2.3 | 112.2 | H921 A922 H927 R928 Y929 | H921-R925 WeakPolarHBondContact O-CB 3.41Å; H921-R925 PolarHBondContact O-N 3.13Å; A922-R925 PolarHBondContact O-N 2.89Å; R925-H927 VanDerWaalsContact C-N 3.34Å; R925-H927 PolarHBondContact O-N 3.06Å; R925-R928 PolarHBondContact O-N 2.82Å; R925-R928 VanDerWaalsContact O-N 3.08Å; R925-Y929 WeakPolarHBondContact O-CB 3.22Å; R925-Y929 PolarHBondContact O-N 3.44Å |
| 926 | A | 34.4 | Very low | 34.1 | Very low | 49 Ų | 49 | 109.8 Ų | 109.8 | 41% | 0.405 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -57.6 | -46.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A922 I923 R928 Y929 L930 | A922-A926 PolarHBondContact O-N 3.01Å; I923-A926 PolarHBondContact O-N 3.05Å; A926-R928 VanDerWaalsContact C-N 3.29Å; A926-R928 PolarHBondContact O-N 3.13Å; A926-Y929 PolarHBondContact O-N 2.88Å; A926-L930 WeakPolarHBondContact O-CB 3.27Å; A926-L930 VanDerWaalsContact O-CG 3.32Å; A926-L930 WeakPolarHBondContact O-CG 3.43Å; A926-L930 PolarHBondContact O-N 3.42Å |
| 927 | H | 36.2 | Very low | 34.4 | Very low | 119 Ų | 119 | 111.2 Ų | 111.2 | 55% | 0.551 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.6 | -31.4 | 173.6 | -102.3 | -103.1 | 0 | 0 | 0 | 114.2 | I923 R925 R931 | I923-H927 PolarHBondContact O-N 3.09Å; R925-H927 VanDerWaalsContact C-N 3.34Å; R925-H927 PolarHBondContact O-N 3.06Å; H927-R931 WeakPolarHBondContact O-CB 3.45Å; H927-R931 VanDerWaalsContact O-CG 3.29Å; H927-R931 WeakPolarHBondContact O-CG 3.37Å; H927-R931 PolarHBondContact O-N 3.11Å |
| 928 | R | 37.6 | Very low | 34.4 | Very low | 185 Ų | 185 | 106.5 Ų | 106.5 | 70% | 0.698 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -75.4 | -42.2 | 173.1 | -81.1 | -172.4 | -176.2 | -178.4 | 2 | 112.5 | S924 R925 A926 R931 Q932 | S924-R928 PolarHBondContact O-N 3.48Å; S924-R928 VanDerWaalsContact O-N 3.09Å; R925-R928 PolarHBondContact O-N 2.82Å; R925-R928 VanDerWaalsContact O-N 3.08Å; A926-R928 VanDerWaalsContact C-N 3.29Å; A926-R928 PolarHBondContact O-N 3.13Å; R928-R931 PolarHBondContact O-N 3.34Å; R928-Q932 PolarHBondContact O-N 3.26Å |
| 929 | Y | 33.5 | Very low | 34.5 | Very low | 160 Ų | 160 | 110 Ų | 110 | 63% | 0.627 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.1 | -47 | -179.5 | -162.3 | -96.7 | 0 | 0 | 0 | 110.8 | R925 A926 R931 Q932 V933 | R925-Y929 WeakPolarHBondContact O-CB 3.22Å; R925-Y929 PolarHBondContact O-N 3.44Å; A926-Y929 PolarHBondContact O-N 2.88Å; Y929-R931 VanDerWaalsContact C-N 3.3Å; Y929-R931 PolarHBondContact O-N 2.93Å; Y929-Q932 PolarHBondContact O-N 3.01Å; Y929-V933 HydrophobicContact CD1-CG2 3.98Å; Y929-V933 HydrophobicContact CE1-CG2 3.84Å; Y929-V933 WeakPolarHBondContact O-CG2 3.28Å; Y929-V933 PolarHBondContact O-N 2.76Å |
| 930 | L | 35.5 | Very low | 34.6 | Very low | 107 Ų | 107 | 111.3 Ų | 111.3 | 56% | 0.56 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58.8 | -38.7 | 172.9 | -69.6 | 168.3 | 0 | 0 | 0 | 112.1 | A926 Q932 V933 S934 | A926-L930 WeakPolarHBondContact O-CB 3.27Å; A926-L930 VanDerWaalsContact O-CG 3.32Å; A926-L930 WeakPolarHBondContact O-CG 3.43Å; A926-L930 PolarHBondContact O-N 3.42Å; L930-Q932 VanDerWaalsContact C-N 3.35Å; L930-Q932 PolarHBondContact O-N 3.02Å; L930-V933 PolarHBondContact O-N 3Å; L930-S934 WeakPolarHBondContact O-CB 3.44Å; L930-S934 PolarHBondContact O-N 2.79Å; L930-S934 PolarHBondContact O-OG 3.45Å |
| 931 | R | 35.5 | Very low | 34.8 | Very low | 138 Ų | 138 | 113.5 Ų | 113.5 | 52% | 0.521 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.7 | -36.3 | 172.6 | -83.4 | -179 | 175.6 | -160.9 | 0.6 | 113.3 | H927 R928 Y929 S935 | H927-R931 WeakPolarHBondContact O-CB 3.45Å; H927-R931 VanDerWaalsContact O-CG 3.29Å; H927-R931 WeakPolarHBondContact O-CG 3.37Å; H927-R931 PolarHBondContact O-N 3.11Å; R928-R931 PolarHBondContact O-N 3.34Å; Y929-R931 VanDerWaalsContact C-N 3.3Å; Y929-R931 PolarHBondContact O-N 2.93Å; R931-S935 WeakPolarHBondContact O-CB 3.32Å; R931-S935 PolarHBondContact O-N 2.8Å; R931-S935 VanDerWaalsContact O-N 3.12Å; R931-S935 PolarHBondContact O-OG 2.81Å; R931-S935 VanDerWaalsContact O-OG 3.08Å |
| 932 | Q | 35.6 | Very low | 34.9 | Very low | 124 Ų | 124 | 115.1 Ų | 115.1 | 58% | 0.579 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -74 | -37 | 176.9 | -75.9 | 180 | -38.4 | 0 | 0 | 112.4 | R928 Y929 L930 S935 R936 | R928-Q932 PolarHBondContact O-N 3.26Å; Y929-Q932 PolarHBondContact O-N 3.01Å; L930-Q932 VanDerWaalsContact C-N 3.35Å; L930-Q932 PolarHBondContact O-N 3.02Å; Q932-S935 WeakPolarHBondContact CA-OG 3.45Å; Q932-S935 PolarHBondContact O-N 2.96Å; Q932-S935 PolarHBondContact O-OG 3.24Å; Q932-R936 PolarHBondContact O-N 2.82Å |
| 933 | V | 36 | Very low | 34.8 | Very low | 57 Ų | 57 | 121.9 Ų | 121.9 | 35% | 0.345 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.7 | -46.9 | 175.5 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | Y929 L930 S935 R936 L937 | Y929-V933 HydrophobicContact CD1-CG2 3.98Å; Y929-V933 HydrophobicContact CE1-CG2 3.84Å; Y929-V933 WeakPolarHBondContact O-CG2 3.28Å; Y929-V933 PolarHBondContact O-N 2.76Å; L930-V933 PolarHBondContact O-N 3Å; V933-S935 VanDerWaalsContact C-N 3.28Å; V933-S935 PolarHBondContact O-N 3.05Å; V933-R936 PolarHBondContact O-N 3.44Å; V933-R936 VanDerWaalsContact O-N 3.1Å; V933-L937 HydrophobicContact CG1-CD1 3.88Å; V933-L937 HydrophobicContact CG1-CG 4.44Å; V933-L937 PolarHBondContact O-N 3.42Å |
| 934 | S | 35.1 | Very low | 34.8 | Very low | 80 Ų | 80 | 124 Ų | 124 | 56% | 0.559 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.8 | -33.6 | 173.7 | -61.7 | 0 | 0 | 0 | 0 | 112.8 | L930 A938 | L930-S934 WeakPolarHBondContact O-CB 3.44Å; L930-S934 PolarHBondContact O-N 2.79Å; L930-S934 PolarHBondContact O-OG 3.45Å; S934-A938 WeakPolarHBondContact O-CB 3.16Å; S934-A938 PolarHBondContact O-N 3.24Å |
| 935 | S | 34.6 | Very low | 34.8 | Very low | 67 Ų | 67 | 129.2 Ų | 129.2 | 47% | 0.469 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -71.4 | -32.7 | 173.2 | 57.6 | 0 | 0 | 0 | 0 | 113.5 | R931 Q932 V933 Y939 | R931-S935 WeakPolarHBondContact O-CB 3.32Å; R931-S935 PolarHBondContact O-N 2.8Å; R931-S935 VanDerWaalsContact O-N 3.12Å; R931-S935 PolarHBondContact O-OG 2.81Å; R931-S935 VanDerWaalsContact O-OG 3.08Å; Q932-S935 WeakPolarHBondContact CA-OG 3.45Å; Q932-S935 PolarHBondContact O-N 2.96Å; Q932-S935 PolarHBondContact O-OG 3.24Å; V933-S935 VanDerWaalsContact C-N 3.28Å; V933-S935 PolarHBondContact O-N 3.05Å; S935-Y939 VanDerWaalsContact O-CB 3.29Å; S935-Y939 WeakPolarHBondContact O-CB 3.29Å; S935-Y939 PolarHBondContact O-N 2.9Å |
| 936 | R | 33.4 | Very low | 34.5 | Very low | 193 Ų | 193 | 123.2 Ų | 123.2 | 73% | 0.728 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -74.7 | -37.5 | 174.8 | -80 | -178.5 | 169.8 | -178.9 | -4.6 | 112.1 | Q932 V933 Y939 N940 | Q932-R936 PolarHBondContact O-N 2.82Å; V933-R936 PolarHBondContact O-N 3.44Å; V933-R936 VanDerWaalsContact O-N 3.1Å; R936-Y939 PolarHBondContact O-N 2.84Å; R936-N940 PolarHBondContact O-N 2.83Å |
| 937 | L | 35.5 | Very low | 34.3 | Very low | 101 Ų | 101 | 125.6 Ų | 125.6 | 53% | 0.529 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.6 | -38.6 | 172 | -73.2 | 168.3 | 0 | 0 | 0 | 111.8 | V933 Y939 N940 R941 | V933-L937 HydrophobicContact CG1-CD1 3.88Å; V933-L937 HydrophobicContact CG1-CG 4.44Å; V933-L937 PolarHBondContact O-N 3.42Å; L937-Y939 VanDerWaalsContact C-N 3.28Å; L937-Y939 PolarHBondContact O-N 2.7Å; L937-N940 PolarHBondContact O-N 2.99Å; L937-R941 VanDerWaalsContact O-CB 3.24Å; L937-R941 WeakPolarHBondContact O-CB 3.05Å; L937-R941 VanDerWaalsContact O-CG 3.24Å; L937-R941 WeakPolarHBondContact O-CG 3.35Å; L937-R941 PolarHBondContact O-N 3.32Å |
| 938 | A | 34.8 | Very low | 34.1 | Very low | 60 Ų | 60 | 127.8 Ų | 127.8 | 50% | 0.496 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.7 | -26.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | S934 | S934-A938 WeakPolarHBondContact O-CB 3.16Å; S934-A938 PolarHBondContact O-N 3.24Å |
| 939 | Y | 33.2 | Very low | 33.7 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 55% | 0.553 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -78.3 | -38.9 | 175.1 | -170.5 | -101.9 | 0 | 0 | 0 | 112 | S935 R936 L937 | S935-Y939 VanDerWaalsContact O-CB 3.29Å; S935-Y939 WeakPolarHBondContact O-CB 3.29Å; S935-Y939 PolarHBondContact O-N 2.9Å; R936-Y939 PolarHBondContact O-N 2.84Å; L937-Y939 VanDerWaalsContact C-N 3.28Å; L937-Y939 PolarHBondContact O-N 2.7Å |
| 940 | N | 33.9 | Very low | 33.7 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 49% | 0.492 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -74.9 | -30 | 174.8 | -70.1 | 2.8 | 0 | 0 | 0 | 112.5 | R936 L937 Y942 R943 | R936-N940 PolarHBondContact O-N 2.83Å; L937-N940 PolarHBondContact O-N 2.99Å; N940-Y942 PolarHBondContact O-N 3.27Å; N940-Y942 VanDerWaalsContact O-N 3.11Å; N940-R943 PolarHBondContact O-N 3.14Å |
| 941 | R | 35.8 | Very low | 33.5 | Very low | 170 Ų | 170 | 127.8 Ų | 127.8 | 64% | 0.642 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -14.1 | 173.8 | -88.9 | -179.1 | -176.8 | -174 | 0.4 | 115.1 | L937 | L937-R941 VanDerWaalsContact O-CB 3.24Å; L937-R941 WeakPolarHBondContact O-CB 3.05Å; L937-R941 VanDerWaalsContact O-CG 3.24Å; L937-R941 WeakPolarHBondContact O-CG 3.35Å; L937-R941 PolarHBondContact O-N 3.32Å |
| 942 | Y | 34.7 | Very low | 33.3 | Very low | 171 Ų | 171 | 130.8 Ų | 130.8 | 67% | 0.671 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | -8.8 | 178.8 | -105.9 | -96.5 | 0 | 0 | 0 | 113.8 | N940 S946 | N940-Y942 PolarHBondContact O-N 3.27Å; N940-Y942 VanDerWaalsContact O-N 3.11Å; Y942-S946 PolarHBondContact O-OG 3.26Å |
| 943 | R | 30 | Very low | 33 | Very low | 180 Ų | 180 | 130.3 Ų | 130.3 | 68% | 0.679 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -4.3 | -173.3 | -165.8 | 170.6 | 173.9 | 170.8 | -1.1 | 113.9 | N940 | N940-R943 PolarHBondContact O-N 3.14Š|
| 944 | L | 33.4 | Very low | 32.7 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -103.2 | -2.9 | 175.2 | -84.7 | 158.6 | 0 | 0 | 0 | 113.5 | ||
| 945 | E | 34.8 | Very low | 32.4 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -112.5 | 18.6 | 178.7 | -64.7 | 179.5 | 163.5 | 0 | 0 | 111.8 | ||
| 946 | S | 30.9 | Very low | 32.3 | Very low | 70 Ų | 70 | 143.2 Ų | 143.2 | 49% | 0.49 | 71% | 0.712 | S | S | . | * | trans | -145.4 | 58.5 | -173.3 | 47.2 | 0 | 0 | 0 | 0 | 113.2 | Y942 | Y942-S946 PolarHBondContact O-OG 3.26Š| ||
| 947 | S | 30.2 | Very low | 32.2 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | trans | -148.3 | 83.3 | 168.9 | 57.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 948 | N | 31.6 | Very low | 31.7 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 88% | 0.882 | 73% | 0.731 | S | S | * | * | trans | -78.1 | 121.7 | 159.8 | -73.9 | -21.9 | 0 | 0 | 0 | 108.2 | ||||
| 949 | L | 30.8 | Very low | 31.7 | Very low | 177 Ų | 177 | 146.4 Ų | 146.4 | 93% | 0.927 | 75% | 0.747 | S | S | * | * | trans | -128.8 | 124.2 | 159.2 | -88.4 | 169.9 | 0 | 0 | 0 | 108.2 | ||||
| 950 | L | 31.7 | Very low | 31.6 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | -93.9 | 157.3 | -170.8 | -88.6 | 158.1 | 0 | 0 | 0 | 112.1 | ||||
| 951 | D | 32.1 | Very low | 31.5 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 60.8 | 115.6 | 150 | -53.4 | -25.9 | 0 | 0 | 0 | 121.7 | ||||
| 952 | K | 30.4 | Very low | 31.3 | Very low | 201 Ų | 201 | 143.5 Ų | 143.5 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | -166.1 | 127 | 120 | -104 | 161.2 | -171.7 | 176.5 | 0 | 111.3 | |||||
| 953 | P | 30 | Very low | 31.2 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | trans | -89.1 | 149.6 | 174.2 | 35 | -33.1 | 0 | 0 | 0 | 111.7 | ||||
| 954 | F | 30.3 | Very low | 31.4 | Very low | 213 Ų | 213 | 136.8 Ų | 136.8 | 93% | 0.934 | 78% | 0.781 | S | S | * | * | trans | -144.3 | 130 | 161.6 | -115.5 | -86.2 | 0 | 0 | 0 | 111.4 | ||||
| 955 | N | 29 | Very low | 31.1 | Very low | 151 Ų | 151 | 136 Ų | 136 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | trans | -78.5 | 150.6 | 179.9 | -69.7 | -49.2 | 0 | 0 | 0 | 111.8 | ||||
| 956 | S | 31.5 | Very low | 31 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | 147.6 | 151.7 | 104.1 | 64 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 957 | V | 30.9 | Very low | 30.9 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | 80.1 | 105.2 | 159.5 | -162.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 958 | L | 26.7 | Very low | 30.9 | Very low | 157 Ų | 157 | 139 Ų | 139 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -83.8 | 164.5 | 157.4 | -90.3 | 154.9 | 0 | 0 | 0 | 111.1 | ||||
| 959 | P | 34.5 | Very low | 30.7 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | -142.6 | 176.8 | 104.2 | 33.6 | -16.3 | 0 | 0 | 0 | 116 | |||||
| 960 | S | 30.4 | Very low | 30.7 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -121.6 | 155 | -154.5 | 54.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 961 | S | 32.9 | Very low | 30.5 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | 178.7 | 117.1 | 143.4 | 46.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 962 | T | 30.5 | Very low | 30.5 | Very low | 133 Ų | 133 | 135.7 Ų | 135.7 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | 55.1 | 133.2 | 82.8 | 63 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 963 | S | 33 | Very low | 30.4 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | cis | -167.5 | 163.9 | 15.7 | 49.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 964 | S | 32.9 | Very low | 30.6 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | 60.6 | 126.3 | 143.2 | 58.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 965 | T | 28 | Very low | 30.6 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | -75.4 | 168.8 | 157.2 | 43.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 966 | P | 33.4 | Very low | 30.8 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | -148.6 | 170.1 | 108.1 | 38.1 | -21.7 | 0 | 0 | 0 | 116.5 | |||||
| 967 | T | 28.3 | Very low | 30.8 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | trans | -82.6 | 161.7 | 170 | 33 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 968 | V | 30.6 | Very low | 30.9 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 87% | 0.873 | 83% | 0.83 | S | S | * | * | trans | 177.6 | 165.1 | 136.1 | 148.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 969 | S | 27.6 | Very low | 31.2 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 69% | 0.692 | 83% | 0.834 | S | S | * | * | trans | -124.1 | -178.1 | -156.5 | 50.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 970 | V | 30.5 | Very low | 31 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 72% | 0.715 | 84% | 0.837 | S | S | * | * | trans | 101.4 | 109.4 | 155.9 | -172 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 971 | R | 27.9 | Very low | 31.1 | Very low | 249 Ų | 249 | 148.5 Ų | 148.5 | 94% | 0.94 | 85% | 0.848 | S | S | * | * | trans | 35.9 | 134.6 | 141 | -58.4 | 172.9 | 172.3 | 173 | -3.7 | 121.8 | ||||
| 972 | G | 31.7 | Very low | 31 | Very low | 81 Ų | 81 | 146.9 Ų | 146.9 | 84% | 0.835 | 85% | 0.848 | S | S | * | * | trans | 173.4 | 108.9 | 149.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 973 | R | 28.8 | Very low | 30.9 | Very low | 261 Ų | 261 | 152.5 Ų | 152.5 | 99% | 0.985 | 85% | 0.854 | S | S | * | * | trans | -62.7 | 148.8 | 178.6 | -64.4 | 169.3 | 168.9 | 176.5 | -4.8 | 114.2 | ||||
| 974 | G | 32.8 | Very low | 30.7 | Very low | 82 Ų | 82 | 153.6 Ų | 153.6 | 85% | 0.845 | 86% | 0.859 | S | S | * | * | trans | -175.9 | 135.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 975 | R | 31.1 | Very low | 30.3 | Very low | 264 Ų | 264 | 159.4 Ų | 159.4 | 100% | 0.996 | 86% | 0.864 | S | S | * | * | trans | -105.3 | 150.3 | -179.6 | -68.3 | 172.5 | 166.9 | 174.6 | -5.7 | 111.4 | ||||
| 976 | G | 33.2 | Very low | 30.3 | Very low | 83 Ų | 83 | 159.9 Ų | 159.9 | 86% | 0.856 | 86% | 0.86 | S | S | * | * | trans | 172.6 | 122.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 977 | R | 31.4 | Very low | 29.9 | Very low | 261 Ų | 261 | 162.1 Ų | 162.1 | 99% | 0.985 | 86% | 0.859 | S | S | * | * | trans | -83.7 | 151.7 | -175.1 | -66.6 | 169.8 | 166.1 | 176.6 | -5.5 | 114.3 | ||||
| 978 | G | 33.1 | Very low | 29.7 | Very low | 82 Ų | 82 | 164.3 Ų | 164.3 | 85% | 0.845 | 86% | 0.858 | S | S | * | * | trans | 136.5 | 136.3 | 132.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 979 | G | 31.8 | Very low | 29.5 | Very low | 87 Ų | 87 | 163 Ų | 163 | 90% | 0.897 | 85% | 0.852 | S | S | * | * | trans | 121.6 | 120.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 980 | K | 30.6 | Very low | 29.3 | Very low | 208 Ų | 208 | 170.1 Ų | 170.1 | 90% | 0.904 | 86% | 0.864 | S | S | * | * | trans | -100.6 | 144.5 | -176.1 | -66.7 | 170.9 | 173.6 | 174.5 | 0 | 114.2 | ||||
| 981 | R | 32.9 | Very low | 29.1 | Very low | 260 Ų | 260 | 169.6 Ų | 169.6 | 98% | 0.981 | 86% | 0.861 | S | S | * | * | trans | 168.3 | 146.6 | 143.3 | -92.8 | 160.4 | -167.8 | -158.1 | 4.1 | 109.7 | ||||
| 982 | G | 30.6 | Very low | 29.3 | Very low | 69 Ų | 69 | 163 Ų | 163 | 71% | 0.711 | 84% | 0.837 | S | S | * | * | cis | 160.4 | 119.2 | -21.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 983 | R | 28.5 | Very low | 29.1 | Very low | 250 Ų | 250 | 168.8 Ų | 168.8 | 94% | 0.943 | 84% | 0.843 | S | S | * | * | trans | 80.3 | 156.9 | 172.5 | -64.2 | -172.7 | 176.6 | -166.5 | 0 | 117.8 | ||||
| 984 | P | 28.6 | Very low | 29 | Very low | 126 Ų | 126 | 161 Ų | 161 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | cis | -114.5 | 174.4 | 1.7 | 39.1 | -26.4 | 0 | 0 | 0 | 115.7 | ||||
| 985 | R | 24.6 | Very low | 28.9 | Very low | 229 Ų | 229 | 161.7 Ų | 161.7 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -89.3 | 141.5 | 179.9 | -70.9 | 173.4 | 169.6 | 163.6 | -6 | 111.7 | ||||
| 986 | I | 28.8 | Very low | 28.8 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | -109.8 | 132.3 | 155 | -64.6 | 176.1 | 0 | 0 | 0 | 107 | F988 | I986-F988 HydrophobicContact CG2-CD2 4.4Å; I986-F988 HydrophobicContact CG2-CE2 4.15Å; I986-F988 PolarHBondContact O-N 3.11Å | ||
| 987 | H | 25.1 | Very low | 28.7 | Very low | 173 Ų | 173 | 148.6 Ų | 148.6 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | trans | -80.2 | 114.5 | 177.1 | -89.8 | -72.4 | 0 | 0 | 0 | 110.3 | ||||
| 988 | F | 24.6 | Very low | 28.5 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | -96.8 | 130 | 160.8 | -82.9 | -87.7 | 0 | 0 | 0 | 109.6 | I986 | I986-F988 HydrophobicContact CG2-CD2 4.4Å; I986-F988 HydrophobicContact CG2-CE2 4.15Å; I986-F988 PolarHBondContact O-N 3.11Å | ||
| 989 | P | 25.8 | Very low | 28.5 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 75% | 0.753 | 72% | 0.716 | S | S | * | * | trans | -63.5 | 138.8 | 169.8 | -19.3 | 32.4 | 0 | 0 | 0 | 110.9 | T991 | P989-T991 PolarHBondContact O-N 2.85Š| ||
| 990 | R | 23.8 | Very low | 28.3 | Very low | 250 Ų | 250 | 139.4 Ų | 139.4 | 94% | 0.943 | 71% | 0.709 | S | S | * | * | trans | -79 | 114.1 | 176.4 | -71.3 | 172 | 167.2 | 176.6 | -7.3 | 110.6 | ||||
| 991 | T | 26.2 | Very low | 28.3 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 66% | 0.656 | 70% | 0.703 | S | S | * | * | trans | -147.7 | 133.5 | 161.9 | 37.6 | 0 | 0 | 0 | 0 | 110.2 | P989 | P989-T991 PolarHBondContact O-N 2.85Š| ||
| 992 | Y | 30.5 | Very low | 28.6 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 43% | 0.431 | 70% | 0.696 | S | S | . | * | S | Bend | trans | 82.8 | 24.1 | 169.7 | -51.4 | -61 | 0 | 0 | 0 | 122.5 | K222 D226 S994 | K222-Y992 VanDerWaalsContact NZ-CE1 3.29Å; D226-Y992 HydrophobicContact CB-CE1 3.99Å; D226-Y992 WeakPolarHBondContact CB-OH 3.21Å; D226-Y992 WeakPolarHBondContact OD2-CE1 3.05Å; D226-Y992 PolarHBondContact OD2-OH 3.49Å; Y992-S994 VanDerWaalsContact C-N 3.3Å |
| 993 | E | 27.7 | Very low | 29.1 | Very low | 203 Ų | 203 | 134.7 Ų | 134.7 | 95% | 0.949 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -91 | 11.2 | 157 | -68.9 | -174.8 | 144.3 | 0 | 0 | 112.8 | ||
| 994 | S | 27.7 | Very low | 29.9 | Very low | 97 Ų | 97 | 125.3 Ų | 125.3 | 68% | 0.678 | 66% | 0.655 | S | S | * | * | trans | -141.8 | 40.3 | -158.3 | 69.6 | 0 | 0 | 0 | 0 | 117.2 | Y992 | Y992-S994 VanDerWaalsContact C-N 3.3Š| ||
| 995 | T | 29.8 | Very low | 30.7 | Very low | 96 Ų | 96 | 124.2 Ų | 124.2 | 59% | 0.589 | 64% | 0.639 | S | S | * | * | trans | -92.8 | 23.8 | 145.7 | 53.7 | 0 | 0 | 0 | 0 | 111.4 | T997 | T995-T997 PolarHBondContact O-N 3.2Š| ||
| 996 | G | 30.1 | Very low | 31.9 | Very low | 53 Ų | 53 | 121 Ų | 121 | 55% | 0.546 | 63% | 0.633 | S | S | . | * | trans | -65.6 | 79.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | S998 | G996-S998 VanDerWaalsContact C-N 3.28Å; G996-S998 PolarHBondContact O-N 3.17Å | ||
| 997 | T | 31.5 | Very low | 32.7 | Very low | 20 Ų | 20 | 117.7 Ų | 117.7 | 12% | 0.123 | 62% | 0.617 | C | S | . | * | trans | -70.7 | 81 | -175 | 47.7 | 0 | 0 | 0 | 0 | 110.6 | L257 T995 W999 | L257-T997 HydrophobicContact CD1-CG2 3.4Å; L257-T997 HydrophobicContact CD2-CG2 4.28Å; L257-T997 HydrophobicContact CG-CG2 4.49Å; T995-T997 PolarHBondContact O-N 3.2Å; T997-W999 VanDerWaalsContact C-N 3.25Å; T997-W999 VanDerWaalsContact N-CD1 3.34Å; T997-W999 PolarHBondContact O-N 3.09Å; T997-W999 PolarHBondContact O-NE1 3.13Å; T997-W999 PolarHBondContact OG1-NE1 3.17Å | ||
| 998 | S | 26.5 | Very low | 33.6 | Very low | 95 Ų | 95 | 115.3 Ų | 115.3 | 66% | 0.664 | 60% | 0.601 | S | S | * | * | S | Bend | trans | 64.3 | 3.4 | -177.1 | 77.5 | 0 | 0 | 0 | 0 | 118.1 | G996 G1000 | G996-S998 VanDerWaalsContact C-N 3.28Å; G996-S998 PolarHBondContact O-N 3.17Å; S998-G1000 PolarHBondContact O-N 3.33Å |
| 999 | W | 32.7 | Very low | 34.9 | Very low | 69 Ų | 69 | 112.6 Ų | 112.6 | 26% | 0.261 | 59% | 0.591 | S | S | . | * | trans | -61.1 | -5.2 | -171.7 | -61.8 | 114.2 | 0 | 0 | 0 | 118.6 | D535 R537 T997 N1001 Y1002 | D535-W999 WeakPolarHBondContact OD2-CH2 3.44Å; R537-W999 VanDerWaalsContact NH2-CZ3 3.26Å; T997-W999 VanDerWaalsContact C-N 3.25Å; T997-W999 VanDerWaalsContact N-CD1 3.34Å; T997-W999 PolarHBondContact O-N 3.09Å; T997-W999 PolarHBondContact O-NE1 3.13Å; T997-W999 PolarHBondContact OG1-NE1 3.17Å; W999-N1001 PolarHBondContact O-N 2.87Å; W999-Y1002 PolarHBondContact O-N 3.37Å | ||
| 1000 | G | 28.7 | Very low | 36.1 | Very low | 72 Ų | 72 | 112.4 Ų | 112.4 | 74% | 0.742 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -3.5 | -163.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | S998 | S998-G1000 PolarHBondContact O-N 3.33Š|
| 1001 | N | 30.1 | Very low | 37 | Very low | 144 Ų | 144 | 103.7 Ų | 103.7 | 77% | 0.77 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | -2.7 | -174.5 | -68.1 | -15.8 | 0 | 0 | 0 | 115 | W999 | W999-N1001 PolarHBondContact O-N 2.87Š|
| 1002 | Y | 39 | Very low | 38 | Very low | 215 Ų | 215 | 102.5 Ų | 102.5 | 84% | 0.843 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -129.9 | 11.6 | -172.6 | -70.2 | -76.4 | 0 | 0 | 0 | 115.1 | W999 | W999-Y1002 PolarHBondContact O-N 3.37Š|
| 1003 | L | 40.9 | Very low | 39.1 | Very low | 80 Ų | 80 | 102.1 Ų | 102.1 | 42% | 0.419 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -108.1 | 140.7 | 163.7 | -75.7 | 161.9 | 0 | 0 | 0 | 107.7 | D1007 | L1003-D1007 HydrophobicContact CB-CB 4.34Å; L1003-D1007 HydrophobicContact CD2-CB 3.88Å |
| 1004 | S | 45.1 | Very low | 39.9 | Very low | 52 Ų | 52 | 97.6 Ų | 97.6 | 36% | 0.364 | 53% | 0.53 | S | S | . | . | trans | -66.1 | 154.5 | 168.5 | 73.4 | 0 | 0 | 0 | 0 | 109.4 | E1006 D1007 R1008 | S1004-E1006 PolarHBondContact O-N 3.41Å; S1004-E1006 PolarHBondContact OG-N 3.33Å; S1004-D1007 VanDerWaalsContact CB-OD2 3.28Å; S1004-D1007 WeakPolarHBondContact CB-OD2 3.36Å; S1004-D1007 PolarHBondContact N-OD2 3.33Å; S1004-D1007 PolarHBondContact O-N 2.82Å; S1004-D1007 VanDerWaalsContact O-N 3.16Å; S1004-D1007 PolarHBondContact OG-N 3.31Å; S1004-D1007 PolarHBondContact OG-OD2 2.81Å; S1004-R1008 PolarHBondContact O-N 3.43Å | ||
| 1005 | E | 45.1 | Very low | 40.4 | Very low | 103 Ų | 103 | 97.6 Ų | 97.6 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -23 | 174.5 | -174.6 | 62.8 | -174.4 | 0 | 0 | 110.9 | R1008 Q1009 | E1005-R1008 PolarHBondContact O-N 2.81Å; E1005-R1008 IonicContact OE1-CZ 2.75Å; E1005-R1008 IonicContact OE1-NE 2.8Å; E1005-R1008 PolarHBondContact OE1-NE 2.66Å; E1005-R1008 IonicContact OE1-NH2 2.8Å; E1005-R1008 PolarHBondContact OE1-NH2 2.78Å; E1005-R1008 IonicContact OE2-CZ 2.79Å; E1005-R1008 IonicContact OE2-NE 3.23Å; E1005-R1008 PolarHBondContact OE2-NE 3.45Å; E1005-R1008 IonicContact OE2-NH2 3.63Å; E1005-R1008 PolarHBondContact OE2-NH2 2.92Å; E1005-Q1009 WeakPolarHBondContact O-CB 3.42Å; E1005-Q1009 WeakPolarHBondContact O-CG 3.21Å; E1005-Q1009 PolarHBondContact O-N 2.84Å |
| 1006 | E | 49.5 | Very low | 41.1 | Very low | 162 Ų | 162 | 96.2 Ų | 96.2 | 76% | 0.757 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.4 | -47 | 172.2 | -64.6 | 176.8 | 161.8 | 0 | 0 | 111.3 | S1004 R1008 Q1009 E1010 | S1004-E1006 PolarHBondContact O-N 3.41Å; S1004-E1006 PolarHBondContact OG-N 3.33Å; E1006-R1008 PolarHBondContact O-N 3.19Å; E1006-Q1009 PolarHBondContact O-N 3.01Å; E1006-Q1009 VanDerWaalsContact O-N 3.16Å; E1006-E1010 PolarHBondContact O-N 2.81Å |
| 1007 | D | 45.7 | Very low | 41.8 | Very low | 77 Ų | 77 | 97.6 Ų | 97.6 | 41% | 0.412 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.5 | -36.1 | 172.5 | -59.8 | -57.8 | 0 | 0 | 0 | 111.7 | L1003 S1004 S1011 | L1003-D1007 HydrophobicContact CB-CB 4.34Å; L1003-D1007 HydrophobicContact CD2-CB 3.88Å; S1004-D1007 VanDerWaalsContact CB-OD2 3.28Å; S1004-D1007 WeakPolarHBondContact CB-OD2 3.36Å; S1004-D1007 PolarHBondContact N-OD2 3.33Å; S1004-D1007 PolarHBondContact O-N 2.82Å; S1004-D1007 VanDerWaalsContact O-N 3.16Å; S1004-D1007 PolarHBondContact OG-N 3.31Å; S1004-D1007 PolarHBondContact OG-OD2 2.81Å; D1007-S1011 WeakPolarHBondContact O-CB 3.4Å; D1007-S1011 PolarHBondContact O-N 3.03Å; D1007-S1011 PolarHBondContact O-OG 2.98Å |
| 1008 | R | 44.5 | Very low | 42.1 | Very low | 123 Ų | 123 | 101.1 Ų | 101.1 | 46% | 0.464 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.9 | -41.8 | 177.2 | -158 | 178.6 | 76.8 | 88.5 | 4 | 111.3 | S1004 E1005 E1006 L1012 | S1004-R1008 PolarHBondContact O-N 3.43Å; E1005-R1008 PolarHBondContact O-N 2.81Å; E1005-R1008 IonicContact OE1-CZ 2.75Å; E1005-R1008 IonicContact OE1-NE 2.8Å; E1005-R1008 PolarHBondContact OE1-NE 2.66Å; E1005-R1008 IonicContact OE1-NH2 2.8Å; E1005-R1008 PolarHBondContact OE1-NH2 2.78Å; E1005-R1008 IonicContact OE2-CZ 2.79Å; E1005-R1008 IonicContact OE2-NE 3.23Å; E1005-R1008 PolarHBondContact OE2-NE 3.45Å; E1005-R1008 IonicContact OE2-NH2 3.63Å; E1005-R1008 PolarHBondContact OE2-NH2 2.92Å; E1006-R1008 PolarHBondContact O-N 3.19Å; R1008-L1012 WeakPolarHBondContact O-CB 3.22Å; R1008-L1012 WeakPolarHBondContact O-CD1 3.28Å; R1008-L1012 VanDerWaalsContact O-CG 3.25Å; R1008-L1012 WeakPolarHBondContact O-CG 3.22Å; R1008-L1012 PolarHBondContact O-N 3.42Å |
| 1009 | Q | 53.1 | Low | 42.6 | Very low | 121 Ų | 121 | 101.3 Ų | 101.3 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64 | -44.1 | 173.7 | -67.9 | -99.6 | -31.6 | 0 | 0 | 111.2 | E1005 E1006 L1012 L1013 | E1005-Q1009 WeakPolarHBondContact O-CB 3.42Å; E1005-Q1009 WeakPolarHBondContact O-CG 3.21Å; E1005-Q1009 PolarHBondContact O-N 2.84Å; E1006-Q1009 PolarHBondContact O-N 3.01Å; E1006-Q1009 VanDerWaalsContact O-N 3.16Å; Q1009-L1012 CarbonylContact O-C 3.52Å; Q1009-L1012 PolarHBondContact O-N 3.22Å; Q1009-L1013 WeakPolarHBondContact O-CB 3.39Å; Q1009-L1013 PolarHBondContact O-N 3.34Å |
| 1010 | E | 50.7 | Low | 42.9 | Very low | 112 Ų | 112 | 102.2 Ų | 102.2 | 52% | 0.523 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.6 | -38.8 | -180 | -176.7 | 150.3 | -179.6 | 0 | 0 | 112.1 | E1006 L1012 L1013 Q1014 | E1006-E1010 PolarHBondContact O-N 2.81Å; E1010-L1012 VanDerWaalsContact C-N 3.31Å; E1010-L1012 PolarHBondContact O-N 3.29Å; E1010-L1013 WeakPolarHBondContact O-CB 3.35Å; E1010-L1013 PolarHBondContact O-N 3.21Å; E1010-L1013 VanDerWaalsContact O-N 3.14Å; E1010-Q1014 HydrophobicContact CG-CG 4.36Å; E1010-Q1014 WeakPolarHBondContact O-CB 3.5Å; E1010-Q1014 WeakPolarHBondContact O-CG 3.4Å; E1010-Q1014 PolarHBondContact O-N 2.83Å; E1010-Q1014 PolarHBondContact OE1-NE2 2.73Å |
| 1011 | S | 41.3 | Very low | 43.3 | Very low | 67 Ų | 67 | 104.7 Ų | 104.7 | 47% | 0.469 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 170.8 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | D1007 L1015 | D1007-S1011 WeakPolarHBondContact O-CB 3.4Å; D1007-S1011 PolarHBondContact O-N 3.03Å; D1007-S1011 PolarHBondContact O-OG 2.98Å; S1011-L1015 VanDerWaalsContact O-CB 3.29Å; S1011-L1015 WeakPolarHBondContact O-CB 3.33Å; S1011-L1015 PolarHBondContact O-N 3.39Å |
| 1012 | L | 48.4 | Very low | 43.6 | Very low | 81 Ų | 81 | 105.9 Ų | 105.9 | 42% | 0.424 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.2 | -35.1 | 173.9 | -76 | 168 | 0 | 0 | 0 | 112.6 | R1008 Q1009 E1010 T1016 | R1008-L1012 WeakPolarHBondContact O-CB 3.22Å; R1008-L1012 WeakPolarHBondContact O-CD1 3.28Å; R1008-L1012 VanDerWaalsContact O-CG 3.25Å; R1008-L1012 WeakPolarHBondContact O-CG 3.22Å; R1008-L1012 PolarHBondContact O-N 3.42Å; Q1009-L1012 CarbonylContact O-C 3.52Å; Q1009-L1012 PolarHBondContact O-N 3.22Å; E1010-L1012 VanDerWaalsContact C-N 3.31Å; E1010-L1012 PolarHBondContact O-N 3.29Å; L1012-T1016 WeakPolarHBondContact O-CB 3.04Å; L1012-T1016 PolarHBondContact O-N 3.24Å; L1012-T1016 PolarHBondContact O-OG1 2.87Å |
| 1013 | L | 52.8 | Low | 43.3 | Very low | 103 Ų | 103 | 103.6 Ų | 103.6 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.7 | -44.6 | 176.2 | -165.9 | 77.9 | 0 | 0 | 0 | 111 | Q1009 E1010 T1016 N1017 | Q1009-L1013 WeakPolarHBondContact O-CB 3.39Å; Q1009-L1013 PolarHBondContact O-N 3.34Å; E1010-L1013 WeakPolarHBondContact O-CB 3.35Å; E1010-L1013 PolarHBondContact O-N 3.21Å; E1010-L1013 VanDerWaalsContact O-N 3.14Å; L1013-T1016 PolarHBondContact O-N 3.39Å; L1013-N1017 WeakPolarHBondContact O-CB 3.5Å; L1013-N1017 PolarHBondContact O-N 3.34Å; L1013-N1017 PolarHBondContact O-ND2 2.9Å |
| 1014 | Q | 44.4 | Very low | 42.7 | Very low | 108 Ų | 108 | 103.6 Ų | 103.6 | 51% | 0.505 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 174.4 | -69.6 | -178.1 | 18.9 | 0 | 0 | 111 | E1010 T1016 N1017 L1018 | E1010-Q1014 HydrophobicContact CG-CG 4.36Å; E1010-Q1014 WeakPolarHBondContact O-CB 3.5Å; E1010-Q1014 WeakPolarHBondContact O-CG 3.4Å; E1010-Q1014 PolarHBondContact O-N 2.83Å; E1010-Q1014 PolarHBondContact OE1-NE2 2.73Å; Q1014-T1016 VanDerWaalsContact C-N 3.35Å; Q1014-N1017 PolarHBondContact O-N 2.68Å; Q1014-L1018 WeakPolarHBondContact O-CB 3.37Å; Q1014-L1018 PolarHBondContact O-N 3.18Å |
| 1015 | L | 38.6 | Very low | 41.9 | Very low | 97 Ų | 97 | 106.4 Ų | 106.4 | 51% | 0.508 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 173.7 | -156 | 86.3 | 0 | 0 | 0 | 111.7 | S1011 L1018 L1019 | S1011-L1015 VanDerWaalsContact O-CB 3.29Å; S1011-L1015 WeakPolarHBondContact O-CB 3.33Å; S1011-L1015 PolarHBondContact O-N 3.39Å; L1015-L1018 PolarHBondContact O-N 3.04Å; L1015-L1019 HydrophobicContact CD2-CD1 4.16Å; L1015-L1019 HydrophobicContact CG-CD1 4.15Å; L1015-L1019 WeakPolarHBondContact O-CB 3.33Å; L1015-L1019 WeakPolarHBondContact O-CG 3.47Å; L1015-L1019 PolarHBondContact O-N 3.23Å |
| 1016 | T | 43.9 | Very low | 41.2 | Very low | 66 Ų | 66 | 106.3 Ų | 106.3 | 41% | 0.405 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.9 | -40 | 176.2 | -61.4 | 0 | 0 | 0 | 0 | 111.1 | L1012 L1013 Q1014 L1019 N1020 | L1012-T1016 WeakPolarHBondContact O-CB 3.04Å; L1012-T1016 PolarHBondContact O-N 3.24Å; L1012-T1016 PolarHBondContact O-OG1 2.87Å; L1013-T1016 PolarHBondContact O-N 3.39Å; Q1014-T1016 VanDerWaalsContact C-N 3.35Å; T1016-L1019 PolarHBondContact O-N 3.14Å; T1016-N1020 VanDerWaalsContact O-CB 3.23Å; T1016-N1020 WeakPolarHBondContact O-CB 3.07Å; T1016-N1020 PolarHBondContact O-N 3.26Å; T1016-N1020 PolarHBondContact O-ND2 3.15Å; T1016-N1020 VanDerWaalsContact O-ND2 3.12Å |
| 1017 | N | 44.9 | Very low | 40.1 | Very low | 83 Ų | 83 | 110.1 Ų | 110.1 | 44% | 0.444 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.5 | -45.6 | 172.9 | -68.1 | -21.3 | 0 | 0 | 0 | 110.8 | L1013 Q1014 L1019 N1020 D1021 | L1013-N1017 WeakPolarHBondContact O-CB 3.5Å; L1013-N1017 PolarHBondContact O-N 3.34Å; L1013-N1017 PolarHBondContact O-ND2 2.9Å; Q1014-N1017 PolarHBondContact O-N 2.68Å; N1017-L1019 VanDerWaalsContact C-N 3.35Å; N1017-L1019 PolarHBondContact O-N 3.31Å; N1017-N1020 PolarHBondContact O-N 3.07Å; N1017-D1021 PolarHBondContact O-N 2.87Å |
| 1018 | L | 37.7 | Very low | 39.4 | Very low | 93 Ų | 93 | 116.8 Ų | 116.8 | 49% | 0.487 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -59.5 | -44.2 | 176 | -142.2 | 90 | 0 | 0 | 0 | 111.8 | Q1014 L1015 D1021 F1022 | Q1014-L1018 WeakPolarHBondContact O-CB 3.37Å; Q1014-L1018 PolarHBondContact O-N 3.18Å; L1015-L1018 PolarHBondContact O-N 3.04Å; L1018-D1021 PolarHBondContact O-N 2.75Å; L1018-F1022 VanDerWaalsContact O-CD2 3.26Å; L1018-F1022 WeakPolarHBondContact O-CD2 3.15Å; L1018-F1022 PolarHBondContact O-N 3.18Å; L1018-F1022 VanDerWaalsContact O-N 3.15Å |
| 1019 | L | 36.9 | Very low | 38.6 | Very low | 99 Ų | 99 | 116.6 Ų | 116.6 | 52% | 0.518 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.8 | -31.8 | 179.2 | -71.7 | 167.9 | 0 | 0 | 0 | 112.8 | L1015 T1016 N1017 F1022 Q1023 | L1015-L1019 HydrophobicContact CD2-CD1 4.16Å; L1015-L1019 HydrophobicContact CG-CD1 4.15Å; L1015-L1019 WeakPolarHBondContact O-CB 3.33Å; L1015-L1019 WeakPolarHBondContact O-CG 3.47Å; L1015-L1019 PolarHBondContact O-N 3.23Å; T1016-L1019 PolarHBondContact O-N 3.14Å; N1017-L1019 VanDerWaalsContact C-N 3.35Å; N1017-L1019 PolarHBondContact O-N 3.31Å; L1019-F1022 PolarHBondContact O-N 3.22Å; L1019-Q1023 PolarHBondContact O-N 2.91Å |
| 1020 | N | 40.3 | Very low | 37.2 | Very low | 88 Ų | 88 | 119.7 Ų | 119.7 | 47% | 0.471 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.4 | -36.5 | 172.4 | -73 | -24.7 | 0 | 0 | 0 | 111.5 | T1016 N1017 F1022 Q1023 S1024 | T1016-N1020 VanDerWaalsContact O-CB 3.23Å; T1016-N1020 WeakPolarHBondContact O-CB 3.07Å; T1016-N1020 PolarHBondContact O-N 3.26Å; T1016-N1020 PolarHBondContact O-ND2 3.15Å; T1016-N1020 VanDerWaalsContact O-ND2 3.12Å; N1017-N1020 PolarHBondContact O-N 3.07Å; N1020-F1022 VanDerWaalsContact C-N 3.26Å; N1020-F1022 PolarHBondContact O-N 3.4Å; N1020-Q1023 PolarHBondContact O-N 3.5Å; N1020-S1024 PolarHBondContact O-N 3.43Å |
| 1021 | D | 36.6 | Very low | 36.1 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 66% | 0.663 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.2 | -32.5 | 172 | -74.6 | -22.5 | 0 | 0 | 0 | 111.3 | N1017 L1018 Q1023 S1024 | N1017-D1021 PolarHBondContact O-N 2.87Å; L1018-D1021 PolarHBondContact O-N 2.75Å; D1021-Q1023 PolarHBondContact O-N 2.94Å; D1021-S1024 PolarHBondContact O-N 2.6Å |
| 1022 | F | 35.4 | Very low | 35.2 | Very low | 170 Ų | 170 | 123.4 Ų | 123.4 | 75% | 0.746 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -9.2 | 169.9 | -86 | -71.4 | 0 | 0 | 0 | 115 | L1018 L1019 N1020 | L1018-F1022 VanDerWaalsContact O-CD2 3.26Å; L1018-F1022 WeakPolarHBondContact O-CD2 3.15Å; L1018-F1022 PolarHBondContact O-N 3.18Å; L1018-F1022 VanDerWaalsContact O-N 3.15Å; L1019-F1022 PolarHBondContact O-N 3.22Å; N1020-F1022 VanDerWaalsContact C-N 3.26Å; N1020-F1022 PolarHBondContact O-N 3.4Å |
| 1023 | Q | 34 | Very low | 34.1 | Very low | 167 Ų | 167 | 124.9 Ų | 124.9 | 78% | 0.78 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 7.7 | 175.1 | -68.3 | -164.8 | -7.4 | 0 | 0 | 114.1 | L1019 N1020 D1021 P1025 | L1019-Q1023 PolarHBondContact O-N 2.91Å; N1020-Q1023 PolarHBondContact O-N 3.5Å; D1021-Q1023 PolarHBondContact O-N 2.94Å; Q1023-P1025 WeakPolarHBondContact O-CD 3.32Å |
| 1024 | S | 27.9 | Very low | 32.7 | Very low | 80 Ų | 80 | 125.7 Ų | 125.7 | 56% | 0.559 | 66% | 0.655 | S | S | * | * | trans | -112.4 | 97 | -178.8 | -177.7 | 0 | 0 | 0 | 0 | 112.9 | N1020 D1021 T1026 | N1020-S1024 PolarHBondContact O-N 3.43Å; D1021-S1024 PolarHBondContact O-N 2.6Å; S1024-T1026 PolarHBondContact O-N 3.1Å | ||
| 1025 | P | 28.5 | Very low | 31.9 | Very low | 110 Ų | 110 | 127 Ų | 127 | 71% | 0.714 | 67% | 0.67 | S | S | * | * | trans | -74.4 | 111.5 | 165.9 | 30.2 | -31.5 | 0 | 0 | 0 | 110.3 | Q1023 | Q1023-P1025 WeakPolarHBondContact O-CD 3.32Š| ||
| 1026 | T | 29.5 | Very low | 31.2 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | trans | 66 | 121.8 | 161.4 | 69.8 | 0 | 0 | 0 | 0 | 118.5 | S1024 | S1024-T1026 PolarHBondContact O-N 3.1Š| ||
| 1027 | R | 28.1 | Very low | 30.6 | Very low | 242 Ų | 242 | 131.1 Ų | 131.1 | 91% | 0.913 | 70% | 0.695 | S | S | * | * | -173 | 130.7 | 127.8 | -104.8 | 165.8 | -174.6 | -157.5 | 1 | 112.1 | |||||
| 1028 | K | 29.6 | Very low | 29.8 | Very low | 217 Ų | 217 | 136.2 Ų | 136.2 | 94% | 0.943 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 82.1 | 101.6 | -166.6 | -55.3 | 173.1 | -178.6 | 177.8 | 0 | 111.6 | ||
| 1029 | S | 27.7 | Very low | 29.3 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | S | Bend | cis | -116.7 | 167.5 | 5.1 | 45.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1030 | K | 24.1 | Very low | 28.8 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | trans | -47.4 | 141.3 | 174.9 | -46.4 | 167.4 | -178.5 | 177.2 | 0 | 109.6 | ||||
| 1031 | H | 26.5 | Very low | 28 | Very low | 144 Ų | 144 | 139 Ų | 139 | 67% | 0.667 | 76% | 0.755 | S | S | * | * | cis | -129 | 162.5 | 27.5 | -79.8 | -121.8 | 0 | 0 | 0 | 114.6 | E654 | E654-H1031 IonicContact OE2-CE1 3.98Š| ||
| 1032 | V | 23.4 | Very low | 27.4 | Very low | 112 Ų | 112 | 140 Ų | 140 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | trans | -104.9 | 145.1 | 175.9 | 174.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1033 | C | 25.5 | Very low | 27.1 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | -158.2 | 155.4 | 51 | -156.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1034 | V | 22.7 | Very low | 26.6 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -90.9 | 138 | 166.2 | 172.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1035 | T | 28 | Very low | 26.6 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -152.9 | 139.4 | 145.4 | -16.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1036 | I | 23.2 | Very low | 26.5 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | -141.6 | 158.1 | 175.3 | -65.6 | 170.9 | 0 | 0 | 0 | 104.1 | ||||
| 1037 | P | 32.7 | Very low | 26.5 | Very low | 104 Ų | 104 | 146 Ų | 146 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | cis | -126.5 | -151.8 | -5 | 28.9 | -4.3 | 0 | 0 | 0 | 112.8 | ||||
| 1038 | Q | 28.4 | Very low | 26.4 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | 85.7 | 140.6 | 171.7 | -49.8 | -179.6 | 12.7 | 0 | 0 | 114.5 | ||||
| 1039 | G | 27.2 | Very low | 26.6 | Very low | 71 Ų | 71 | 134.7 Ų | 134.7 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | cis | -178.7 | 162.7 | -5.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1040 | L | 24.9 | Very low | 26.8 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | trans | 20.8 | 144 | 154.9 | -79.3 | 155 | 0 | 0 | 0 | 123.1 | ||||
| 1041 | C | 24.8 | Very low | 27.2 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 68% | 0.676 | 76% | 0.759 | S | S | * | * | trans | 88.4 | 111.2 | 149.4 | -69.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1042 | L | 24 | Very low | 27.5 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | 55.1 | 114.9 | 121.5 | -63.7 | 163.9 | 0 | 0 | 0 | 120 | |||||
| 1043 | N | 27.5 | Very low | 28 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | -157.1 | 99.3 | 127.2 | -88.4 | -34.9 | 0 | 0 | 0 | 107.3 | |||||
| 1044 | T | 25.3 | Very low | 28.3 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 61% | 0.613 | 76% | 0.764 | S | S | * | * | 45.4 | 108.9 | 107.6 | 50.7 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1045 | E | 27.4 | Very low | 28.7 | Very low | 201 Ų | 201 | 135 Ų | 135 | 94% | 0.939 | 77% | 0.768 | S | S | * | * | -139.5 | 123.4 | 125.6 | -124.1 | 176.5 | -152.8 | 0 | 0 | 108.8 | |||||
| 1046 | I | 25.6 | Very low | 28.9 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 68% | 0.677 | 76% | 0.764 | S | S | * | * | trans | -103.3 | 122.3 | -172.7 | -60.3 | 173.2 | 0 | 0 | 0 | 107.9 | V1048 | I1046-V1048 HydrophobicContact CG2-CG2 3.62Š| ||
| 1047 | I | 29.8 | Very low | 29.2 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | -98.7 | 106.6 | 161.6 | -61.5 | 179.6 | 0 | 0 | 0 | 107.6 | ||||
| 1048 | V | 26.7 | Very low | 29.1 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 62% | 0.624 | 77% | 0.765 | S | S | * | * | trans | -78.2 | 140.9 | 179.3 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | I1046 | I1046-V1048 HydrophobicContact CG2-CG2 3.62Š| ||
| 1049 | P | 32.5 | Very low | 29.1 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | trans | -124.9 | 119 | 133.1 | 33.1 | -24.8 | 0 | 0 | 0 | 112 | ||||
| 1050 | N | 32 | Very low | 29.3 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | trans | 6.7 | 129.5 | 165.9 | -56.5 | -10.2 | 0 | 0 | 0 | 120.4 | ||||
| 1051 | G | 33.3 | Very low | 29.7 | Very low | 75 Ų | 75 | 132.3 Ų | 132.3 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | 175.9 | 99.3 | 164 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1052 | D | 33.4 | Very low | 30.1 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | -36.4 | 156.6 | 168.3 | -61.4 | -46.9 | 0 | 0 | 0 | 116.7 | ||||
| 1053 | T | 33.5 | Very low | 30.4 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | cis | -168.2 | 159.4 | -1.3 | 18.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1054 | T | 32.1 | Very low | 30.6 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 61.1 | 114.7 | 153.6 | 48.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1055 | K | 31.2 | Very low | 30.8 | Very low | 188 Ų | 188 | 134.4 Ų | 134.4 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | 69.5 | 138 | 86 | -72.5 | -173.6 | -180 | -178 | 0 | 113.9 | |||||
| 1056 | T | 31.1 | Very low | 31 | Very low | 117 Ų | 117 | 133 Ų | 133 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | cis | -167.1 | 125.9 | 9.4 | 9.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1057 | S | 29 | Very low | 31.3 | Very low | 97 Ų | 97 | 134 Ų | 134 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | 71.2 | 135.3 | 92.4 | 78.5 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 1058 | I | 31.2 | Very low | 31.5 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 112.8 | 96.4 | 152.9 | -58.7 | 169.2 | 0 | 0 | 0 | 118.2 | ||||
| 1059 | S | 28.9 | Very low | 31.9 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | trans | 16.8 | 137.4 | 140.2 | 70.5 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1060 | K | 30.3 | Very low | 32 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | 115.8 | 144.5 | 111.2 | -106.2 | -173.4 | 171.3 | -149.4 | 0 | 120.6 | |||||
| 1061 | D | 34.5 | Very low | 32 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | trans | 79.4 | 123.5 | 155.5 | -54.9 | -17.2 | 0 | 0 | 0 | 121.3 | ||||
| 1062 | D | 32.7 | Very low | 32.1 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | trans | 54.9 | 127.7 | 143 | -54.6 | -19.5 | 0 | 0 | 0 | 124.3 | ||||
| 1063 | G | 30 | Very low | 32.2 | Very low | 68 Ų | 68 | 137.3 Ų | 137.3 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | 127.9 | 115.3 | 128.2 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 1064 | V | 31.8 | Very low | 32.3 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | trans | 72.9 | 157.5 | 137.5 | -170.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1065 | E | 30.1 | Very low | 32.4 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | -73 | -178.6 | -160.5 | -61 | 163.1 | 125.5 | 0 | 0 | 118.1 | ||||
| 1066 | E | 31.8 | Very low | 32.6 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | 85.6 | 104.5 | 158.3 | -71.3 | 173.6 | -177.1 | 0 | 0 | 121 | ||||
| 1067 | D | 32.7 | Very low | 32.9 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 81% | 0.807 | 74% | 0.738 | S | S | * | * | 64.3 | 168.8 | 122.5 | -66.9 | -5.8 | 0 | 0 | 0 | 125.1 | |||||
| 1068 | E | 33.8 | Very low | 33.1 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | trans | 77.3 | 116 | 173.9 | -65.2 | -174.7 | 177.6 | 0 | 0 | 117.6 | ||||
| 1069 | E | 34.2 | Very low | 33.3 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | 74.9 | 148.5 | 80.6 | -98.9 | -174 | -167.3 | 0 | 0 | 113.2 | |||||
| 1070 | E | 34.3 | Very low | 33.3 | Very low | 137 Ų | 137 | 141 Ų | 141 | 64% | 0.64 | 74% | 0.737 | S | S | * | * | cis | -156.3 | -179.5 | -3.4 | -157.2 | -147.2 | 142.1 | 0 | 0 | 107 | ||||
| 1071 | L | 32.6 | Very low | 33.5 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | trans | 171.6 | 97.3 | 137 | -92.8 | 163.1 | 0 | 0 | 0 | 112.7 | ||||
| 1072 | L | 34.8 | Very low | 33.3 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 63% | 0.628 | 75% | 0.746 | S | S | * | * | trans | 61.9 | 141.1 | 133.8 | -61.5 | -179.3 | 0 | 0 | 0 | 120.8 | ||||
| 1073 | S | 35.2 | Very low | 33.3 | Very low | 89 Ų | 89 | 138.8 Ų | 138.8 | 62% | 0.622 | 74% | 0.738 | S | S | * | * | cis | -168 | 141.5 | 4.7 | 46.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1074 | H | 35.2 | Very low | 33.3 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | 44.2 | 143.8 | 148.6 | -50.9 | -61.7 | 0 | 0 | 0 | 120.4 | ||||
| 1075 | I | 34.2 | Very low | 33.4 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | -151 | 132.5 | 50.2 | -72.9 | 168.8 | 0 | 0 | 0 | 111.2 | |||||
| 1076 | E | 36.3 | Very low | 33.3 | Very low | 142 Ų | 142 | 141 Ų | 141 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | trans | 15.7 | 153.4 | 135.3 | -60.3 | 153.2 | -165.5 | 0 | 0 | 120.6 | ||||
| 1077 | E | 36.6 | Very low | 33.3 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 71% | 0.71 | 72% | 0.717 | S | S | * | * | cis | -167.2 | 154 | -6.8 | -114.1 | 171.4 | -172.4 | 0 | 0 | 109 | ||||
| 1078 | D | 34.2 | Very low | 33.1 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 70% | 0.695 | 71% | 0.714 | S | S | * | * | trans | 47.9 | 151.2 | 141.7 | -69.9 | 7.8 | 0 | 0 | 0 | 123 | ||||
| 1079 | N | 34.3 | Very low | 32.8 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | cis | -151.7 | 163.8 | 24.7 | -130.4 | -50 | 0 | 0 | 0 | 112.7 | ||||
| 1080 | S | 30 | Very low | 32.5 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 66% | 0.664 | 71% | 0.714 | S | S | * | * | trans | -89.4 | 165.1 | -179.2 | 64.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1081 | V | 33.5 | Very low | 32.3 | Very low | 137 Ų | 137 | 145 Ų | 145 | 83% | 0.83 | 72% | 0.722 | S | S | * | * | 174 | 147.3 | 121.7 | 154.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1082 | N | 31.6 | Very low | 31.9 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | -67.2 | 169.4 | -169.3 | -75.8 | -20.6 | 0 | 0 | 0 | 120.5 | ||||
| 1083 | N | 32.1 | Very low | 31.6 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | trans | 96.3 | 116.4 | 138.3 | -82 | 15.7 | 0 | 0 | 0 | 122.9 | ||||
| 1084 | D | 31.2 | Very low | 31.2 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | 80 | 147.6 | 125.5 | -67.9 | -34.1 | 0 | 0 | 0 | 124.8 | |||||
| 1085 | D | 33 | Very low | 30.7 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 58% | 0.578 | 73% | 0.734 | S | S | * | * | trans | 80.8 | 92.9 | 153.1 | -77.3 | -10.2 | 0 | 0 | 0 | 122.7 | ||||
| 1086 | R | 27.2 | Very low | 30.3 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | 72.2 | 153.6 | 114.8 | -69.1 | 178.7 | -138.4 | 177 | 16.7 | 123 | |||||
| 1087 | H | 32.8 | Very low | 29.7 | Very low | 157 Ų | 157 | 142 Ų | 142 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | 90.7 | 108.2 | 152.6 | -66.7 | -56.4 | 0 | 0 | 0 | 119.7 | ||||
| 1088 | H | 27.3 | Very low | 29.3 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | -4.7 | 139.4 | 140.2 | -67.9 | -72.2 | 0 | 0 | 0 | 117.4 | ||||
| 1089 | Y | 28.7 | Very low | 29 | Very low | 224 Ų | 224 | 140 Ų | 140 | 88% | 0.878 | 73% | 0.732 | S | S | * | * | -149.7 | 141.2 | 108.8 | -100.9 | -73.8 | 0 | 0 | 0 | 110.6 | |||||
| 1090 | D | 28.6 | Very low | 28.8 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | -112.2 | 136.7 | 176.7 | -177.5 | 16.3 | 0 | 0 | 0 | 107.7 | ||||
| 1091 | Y | 28.5 | Very low | 28.7 | Very low | 208 Ų | 208 | 142.6 Ų | 142.6 | 82% | 0.816 | 74% | 0.737 | S | S | * | * | trans | -158.3 | 111.9 | 168.8 | -105.9 | -68.9 | 0 | 0 | 0 | 113.5 | ||||
| 1092 | S | 25.7 | Very low | 28.2 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | -64.8 | 146.5 | 161.6 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1093 | G | 27.6 | Very low | 27.9 | Very low | 69 Ų | 69 | 139.4 Ų | 139.4 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | -171 | 87.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1094 | L | 25.8 | Very low | 27.5 | Very low | 165 Ų | 165 | 137 Ų | 137 | 86% | 0.864 | 70% | 0.704 | S | S | * | * | trans | 54.4 | 123 | 136.4 | -70.5 | 155.7 | 0 | 0 | 0 | 122.3 | ||||
| 1095 | S | 24.7 | Very low | 27.3 | Very low | 92 Ų | 92 | 137.9 Ų | 137.9 | 64% | 0.643 | 70% | 0.704 | S | S | * | * | trans | -19.3 | 145.4 | 145.8 | 55.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1096 | L | 26.6 | Very low | 27 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | -167.6 | 157.1 | 110.4 | -103.6 | 157.2 | 0 | 0 | 0 | 113.6 | |||||
| 1097 | E | 24.5 | Very low | 27 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 70% | 0.696 | 71% | 0.711 | S | S | * | * | trans | -52.1 | 148.5 | 177.2 | -55.7 | 157.1 | 145.6 | 0 | 0 | 113.6 | ||||
| 1098 | N | 27.6 | Very low | 26.7 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 65% | 0.652 | 71% | 0.71 | S | S | * | * | 173.8 | 142.9 | 103.1 | -94.7 | -72.3 | 0 | 0 | 0 | 113.9 | |||||
| 1099 | N | 27.2 | Very low | 26.7 | Very low | 119 Ų | 119 | 134 Ų | 134 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | trans | 37.9 | 115.7 | 142.9 | -49.8 | -33.4 | 0 | 0 | 0 | 119.8 | ||||
| 1100 | H | 30.1 | Very low | 26.5 | Very low | 168 Ų | 168 | 128.4 Ų | 128.4 | 78% | 0.778 | 70% | 0.696 | S | S | * | * | -176.9 | 124.8 | 87.3 | -100.7 | -76.5 | 0 | 0 | 0 | 114 | |||||
| 1101 | V | 27.8 | Very low | 26.4 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | 43.6 | 92.2 | 126.1 | -173.4 | 0 | 0 | 0 | 0 | 118 | |||||
| 1102 | D | 24.7 | Very low | 26.2 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 64% | 0.642 | 68% | 0.683 | S | S | * | * | 64.9 | 148.1 | 111.7 | -148.2 | 3.4 | 0 | 0 | 0 | 121.6 | K905 | K905-D1102 IonicContact NZ-OD1 2.6Å; K905-D1102 PolarHBondContact NZ-OD1 3.02Å | |||
| 1103 | V | 23.9 | Very low | 26.3 | Very low | 91 Ų | 91 | 122.7 Ų | 122.7 | 55% | 0.552 | 68% | 0.677 | S | S | * | * | trans | 76.6 | 91.9 | 160.3 | -164.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 1104 | I | 23.4 | Very low | 26.2 | Very low | 79 Ų | 79 | 127.2 Ų | 127.2 | 41% | 0.405 | 67% | 0.674 | S | S | . | * | trans | 71.2 | 102.3 | 138.7 | -52.3 | 172.1 | 0 | 0 | 0 | 118 | K905 R906 | K905-I1104 HydrophobicContact CB-CD1 4.2Å; K905-I1104 HydrophobicContact CB-CG1 3.54Å; K905-I1104 HydrophobicContact CD-CD1 4.39Å; K905-I1104 HydrophobicContact CD-CG1 3.58Å; K905-I1104 HydrophobicContact CG-CD1 3.84Å; K905-I1104 HydrophobicContact CG-CG1 3.37Å; R906-I1104 VanDerWaalsContact C-CG2 3.4Å; R906-I1104 WeakPolarHBondContact O-CG2 3.29Å | ||
| 1105 | Q | 27.7 | Very low | 26.2 | Very low | 151 Ų | 151 | 123.7 Ų | 123.7 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | -133.1 | 0 | 108.7 | -89.1 | -136.5 | 16.9 | 0 | 0 | 109.1 | P907 R908 | P907-Q1105 VanDerWaalsContact CB-C 3.41Å; P907-Q1105 HydrophobicContact CB-CB 3.88Å; P907-Q1105 HydrophobicContact CB-CG 4.48Å; P907-Q1105 WeakPolarHBondContact CB-O 3.35Å; P907-Q1105 WeakPolarHBondContact CD-OXT 3.47Å; P907-Q1105 VanDerWaalsContact CG-C 3.41Å; P907-Q1105 WeakPolarHBondContact CG-O 2.93Å; P907-Q1105 WeakPolarHBondContact CG-OXT 3.43Å; R908-Q1105 VanDerWaalsContact N-CD 3.34Å; R908-Q1105 PolarHBondContact O-OE1 3.23Å |
Retrieved 1,105 of 1,105 residues in 1298.3 ms
(Link to these results)