| 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 | 62.8 | Low | 88.9 | Confident | 151 Ų | 151 | 75.6 Ų | 75.6 | 74% | 0.744 | 39% | 0.386 | S | S | * | . | 0 | 142.1 | 0 | -171.4 | 179.2 | -87.1 | 0 | 0 | 109.3 | Q162 | M1-Q162 VanDerWaalsContact CE-CD 3.49Å; M1-Q162 HydrophobicContact CE-CG 3.94Å | |||
| 2 | S | 80.3 | Confident | 89.1 | Confident | 77 Ų | 77 | 81.2 Ų | 81.2 | 54% | 0.538 | 43% | 0.427 | S | S | . | . | trans | -65.5 | 139.3 | 172.1 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | V4 | S2-V4 VanDerWaalsContact C-N 3.31Å; S2-V4 WeakPolarHBondContact OG-CG2 3.44Å; S2-V4 PolarHBondContact OG-N 3.23Å | ||
| 3 | L | 87.2 | Confident | 89.4 | Confident | 67 Ų | 67 | 86.9 Ų | 86.9 | 35% | 0.351 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -90.7 | 10.3 | 175.9 | -65.4 | -176.8 | 0 | 0 | 0 | 113.3 | W5 L6 F142 | L3-W5 VanDerWaalsContact C-N 3.26Å; L3-W5 PolarHBondContact O-N 2.74Å; L3-L6 HydrophobicContact CB-CD1 4.02Å; L3-L6 HydrophobicContact CD2-CD1 4.33Å; L3-L6 WeakPolarHBondContact O-CB 3.31Å; L3-L6 WeakPolarHBondContact O-CG 3.37Å; L3-L6 PolarHBondContact O-N 3.16Å; L3-F142 HydrophobicContact CD1-CD1 4.39Å; L3-F142 HydrophobicContact CD2-CD1 3.68Å; L3-F142 HydrophobicContact CD2-CD2 3.95Å; L3-F142 HydrophobicContact CD2-CE1 3.78Å; L3-F142 HydrophobicContact CD2-CE2 4.05Å; L3-F142 HydrophobicContact CD2-CG 3.77Å; L3-F142 HydrophobicContact CD2-CZ 3.97Å |
| 4 | V | 90.8 | Very high | 89.8 | Confident | 93 Ų | 93 | 84.7 Ų | 84.7 | 56% | 0.564 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -60.8 | -35.1 | -178.4 | 171.1 | 0 | 0 | 0 | 0 | 112 | S2 L6 F7 | S2-V4 VanDerWaalsContact C-N 3.31Å; S2-V4 WeakPolarHBondContact OG-CG2 3.44Å; S2-V4 PolarHBondContact OG-N 3.23Å; V4-L6 PolarHBondContact O-N 3.18Å; V4-F7 PolarHBondContact O-N 3.49Å |
| 5 | W | 92.3 | Very high | 89.9 | Confident | 26 Ų | 26 | 86 Ų | 86 | 10% | 0.098 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -56.8 | -24.9 | 179.5 | 68.3 | -96.5 | 0 | 0 | 0 | 113.9 | L3 F7 D8 F142 R144 V159 E160 | L3-W5 VanDerWaalsContact C-N 3.26Å; L3-W5 PolarHBondContact O-N 2.74Å; W5-F7 PolarHBondContact O-N 3.02Å; W5-D8 PolarHBondContact O-N 2.94Å; W5-F142 HydrophobicContact CH2-CD2 4.49Å; W5-F142 AromaticContact CZ2-CD2 3.79Å; W5-F142 HydrophobicContact CZ2-CD2 3.79Å; W5-F142 AromaticContact CZ2-CE2 3.79Å; W5-F142 HydrophobicContact CZ2-CE2 3.79Å; W5-R144 HydrophobicContact CZ3-CB 4.02Å; W5-R144 PolarHBondContact O-NH1 3.42Å; W5-V159 HydrophobicContact CE3-CG1 4.42Å; W5-V159 HydrophobicContact CZ3-CG1 4.12Å; W5-E160 VanDerWaalsContact CZ3-C 3.46Å |
| 6 | L | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -58.3 | -21.8 | 174.8 | -68.6 | 173.8 | 0 | 0 | 0 | 112.2 | L3 V4 L10 F142 R144 V345 R347 | L3-L6 HydrophobicContact CB-CD1 4.02Å; L3-L6 HydrophobicContact CD2-CD1 4.33Å; L3-L6 WeakPolarHBondContact O-CB 3.31Å; L3-L6 WeakPolarHBondContact O-CG 3.37Å; L3-L6 PolarHBondContact O-N 3.16Å; V4-L6 PolarHBondContact O-N 3.18Å; L6-L10 WeakPolarHBondContact O-CD1 3.41Å; L6-F142 HydrophobicContact CD1-CB 4.22Å; L6-R144 HydrophobicContact CD2-CB 3.83Å; L6-R144 WeakPolarHBondContact O-CD 3.49Å; L6-V345 HydrophobicContact CB-CG1 4.16Å; L6-V345 HydrophobicContact CD1-CG1 4.32Å; L6-R347 HydrophobicContact CD1-CG 3.74Å |
| 7 | F | 94.7 | Very high | 90.6 | Very high | 63 Ų | 63 | 82 Ų | 82 | 28% | 0.276 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -111.2 | 3.6 | -174.5 | -55.6 | -78.2 | 0 | 0 | 0 | 113.9 | V4 W5 N9 L10 V345 Y355 | V4-F7 PolarHBondContact O-N 3.49Å; W5-F7 PolarHBondContact O-N 3.02Å; F7-N9 PolarHBondContact O-N 2.71Å; F7-L10 WeakPolarHBondContact O-CB 3.25Å; F7-L10 PolarHBondContact O-N 2.79Å; F7-V345 HydrophobicContact CE1-CG1 4.17Å; F7-V345 HydrophobicContact CZ-CG1 4.23Å; F7-Y355 HydrophobicContact CD1-CE1 4.35Å; F7-Y355 HydrophobicContact CD1-CE2 4.35Å; F7-Y355 HydrophobicContact CE1-CE1 4.27Å; F7-Y355 AromaticContact CE1-CE2 3.83Å; F7-Y355 HydrophobicContact CE1-CE2 3.83Å; F7-Y355 AromaticContact CE1-CZ 3.63Å |
| 8 | D | 93.2 | Very high | 91 | Very high | 82 Ų | 82 | 78.3 Ų | 78.3 | 44% | 0.439 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 125.6 | -179 | -71.6 | -10.3 | 0 | 0 | 0 | 110.8 | W5 L10 R144 | W5-D8 PolarHBondContact O-N 2.94Å; D8-L10 PolarHBondContact O-N 3.43Å; D8-R144 PolarHBondContact O-NH1 3.29Å; D8-R144 PolarHBondContact O-NH2 3.26Å |
| 9 | N | 93.8 | Very high | 91.3 | Very high | 111 Ų | 111 | 75.9 Ų | 75.9 | 59% | 0.594 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 26.6 | -176.8 | -54.7 | -62.3 | 0 | 0 | 0 | 114.7 | F7 A358 A361 | F7-N9 PolarHBondContact O-N 2.71Å; N9-A358 HydrophobicContact CB-CB 4.38Å; N9-A358 WeakPolarHBondContact O-CB 3.38Å; N9-A358 PolarHBondContact O-N 3.21Å; N9-A361 HydrophobicContact CB-CB 4.11Å |
| 10 | L | 95.3 | Very high | 91.5 | Very high | 22 Ų | 22 | 72.7 Ų | 72.7 | 12% | 0.115 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -102.7 | 153.9 | 171.9 | -55.3 | -170.5 | 0 | 0 | 0 | 110.6 | L6 F7 D8 S343 V345 Y355 K357 | L6-L10 WeakPolarHBondContact O-CD1 3.41Å; F7-L10 WeakPolarHBondContact O-CB 3.25Å; F7-L10 PolarHBondContact O-N 2.79Å; D8-L10 PolarHBondContact O-N 3.43Å; L10-S343 VanDerWaalsContact CD2-OG 3.28Å; L10-S343 WeakPolarHBondContact CD2-OG 3.43Å; L10-V345 HydrophobicContact CD1-CG2 3.91Å; L10-Y355 HydrophobicContact CB-CG 4.46Å; L10-Y355 HydrophobicContact CD1-CD2 4.29Å; L10-Y355 HydrophobicContact CD1-CG 4.09Å; L10-K357 HydrophobicContact CD2-CB 4.41Å; L10-K357 HydrophobicContact CD2-CG 3.68Å |
| 11 | R | 93.2 | Very high | 91.7 | Very high | 140 Ų | 140 | 75.1 Ų | 75.1 | 53% | 0.528 | 41% | 0.406 | S | S | . | . | trans | -60.3 | 150.7 | 166.2 | -70.7 | -165.4 | -178.2 | -162.2 | 6.9 | 110.4 | E13 Y355 E356 | R11-E13 VanDerWaalsContact C-N 3.33Å; R11-E13 PolarHBondContact O-N 3.3Å; R11-Y355 VanDerWaalsContact O-CD1 3.31Å; R11-Y355 WeakPolarHBondContact O-CD1 3.29Å; R11-E356 HydrophobicContact CG-CB 4.13Å; R11-E356 VanDerWaalsContact CZ-CD 3.44Å; R11-E356 IonicContact CZ-OE1 3.28Å; R11-E356 VanDerWaalsContact CZ-OE1 3.28Å; R11-E356 IonicContact CZ-OE2 3.08Å; R11-E356 PolarHBondContact N-O 3.22Å; R11-E356 VanDerWaalsContact NE-CD 3.26Å; R11-E356 IonicContact NE-OE1 3.23Å; R11-E356 PolarHBondContact NE-OE1 3.25Å; R11-E356 IonicContact NE-OE2 3.18Å; R11-E356 PolarHBondContact NE-OE2 3.03Å; R11-E356 IonicContact NH1-OE2 3.65Å; R11-E356 VanDerWaalsContact NH2-CD 3.3Å; R11-E356 IonicContact NH2-OE1 2.74Å; R11-E356 PolarHBondContact NH2-OE1 2.81Å; R11-E356 IonicContact NH2-OE2 3.16Å; R11-E356 PolarHBondContact NH2-OE2 2.95Å; R11-E356 VanDerWaalsContact NH2-OE2 3.16Å | ||
| 12 | T | 91.1 | Very high | 93.4 | Very high | 142 Ų | 142 | 72.9 Ų | 72.9 | 87% | 0.871 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -62.7 | -39 | -179.3 | -47.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 13 | E | 93.4 | Very high | 94.2 | Very high | 156 Ų | 156 | 69.7 Ų | 69.7 | 73% | 0.729 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -100.4 | 140.8 | -179.3 | -66.1 | -173.7 | 172.4 | 0 | 0 | 111.2 | R11 F15 | R11-E13 VanDerWaalsContact C-N 3.33Å; R11-E13 PolarHBondContact O-N 3.3Å; E13-F15 PolarHBondContact O-N 3.34Å |
| 14 | P | 94.6 | Very high | 94.7 | Very high | 56 Ų | 56 | 69.1 Ų | 69.1 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | trans | -66.5 | 135.3 | 173.6 | 27.9 | -32.8 | 0 | 0 | 0 | 110 | G16 E353 I354 Y355 | P14-G16 PolarHBondContact O-N 3.05Å; P14-E353 HydrophobicContact CB-CB 4.37Å; P14-I354 CarbonylContact C-O 3.42Å; P14-I354 WeakPolarHBondContact CA-O 3.48Å; P14-Y355 HydrophobicContact CB-CD1 4.21Å; P14-Y355 HydrophobicContact CB-CE1 3.81Å; P14-Y355 HydrophobicContact CB-CE2 4.28Å; P14-Y355 HydrophobicContact CG-CE1 4.36Å | ||
| 15 | F | 91.5 | Very high | 94.9 | Very high | 104 Ų | 104 | 65.9 Ų | 65.9 | 46% | 0.456 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -62.9 | -32.3 | 169.9 | -169.8 | -81.6 | 0 | 0 | 0 | 111.6 | E13 F332 I354 | E13-F15 PolarHBondContact O-N 3.34Å; F15-F332 AromaticContact CD1-CE2 3.64Å; F15-F332 HydrophobicContact CD1-CE2 3.64Å; F15-F332 AromaticContact CD1-CZ 3.64Å; F15-F332 HydrophobicContact CD1-CZ 3.64Å; F15-F332 AromaticContact CE1-CE2 3.51Å; F15-F332 HydrophobicContact CE1-CE2 3.51Å; F15-F332 AromaticContact CE1-CZ 3.76Å; F15-F332 HydrophobicContact CE1-CZ 3.76Å; F15-F332 HydrophobicContact CG-CZ 4.46Å; F15-I354 WeakPolarHBondContact CA-O 3.21Å; F15-I354 WeakPolarHBondContact CB-O 3.44Å; F15-I354 PolarHBondContact N-O 2.78Å |
| 16 | G | 94.7 | Very high | 95.1 | Very high | 25 Ų | 25 | 73.1 Ų | 73.1 | 26% | 0.258 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.6 | -179.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P14 I354 | P14-G16 PolarHBondContact O-N 3.05Å; G16-I354 PolarHBondContact N-O 3.28Å; G16-I354 PolarHBondContact O-N 3.28Å |
| 17 | V | 96.9 | Very high | 95 | Very high | 79 Ų | 79 | 77.1 Ų | 77.1 | 48% | 0.479 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.2 | 178.4 | -62.6 | 0 | 0 | 0 | 0 | 111 | F351 I352 E353 | V17-F351 HydrophobicContact CB-CD2 4.49Å; V17-F351 HydrophobicContact CG1-CD2 4.25Å; V17-I352 CarbonylContact C-O 3.58Å; V17-I352 VanDerWaalsContact CA-O 3.25Å; V17-I352 WeakPolarHBondContact CA-O 3.46Å; V17-E353 HydrophobicContact CG1-CG 4.15Å |
| 18 | I | 97.4 | Very high | 95.1 | Very high | 16 Ų | 16 | 75.2 Ų | 75.2 | 8% | 0.082 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 98.1 | 170.8 | -54.8 | 176.9 | 0 | 0 | 0 | 108 | L23 L325 I329 F351 I352 I354 | I18-L23 HydrophobicContact CG2-CD2 3.99Å; I18-L325 HydrophobicContact CB-CD1 4.46Å; I18-L325 HydrophobicContact CD1-CD1 3.9Å; I18-L325 HydrophobicContact CG2-CD1 3.88Å; I18-I329 HydrophobicContact CD1-CG1 4.34Å; I18-F351 WeakPolarHBondContact O-CA 3.48Å; I18-I352 PolarHBondContact N-O 2.96Å; I18-I352 PolarHBondContact O-N 3.23Å; I18-I354 HydrophobicContact CD1-CD1 3.96Å; I18-I354 HydrophobicContact CG1-CD1 4.04Å |
| 19 | P | 96.9 | Very high | 95.2 | Very high | 32 Ų | 32 | 72.4 Ų | 72.4 | 21% | 0.208 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 140.5 | 174.2 | -22.1 | 33.7 | 0 | 0 | 0 | 112.2 | T21 N22 | P19-T21 PolarHBondContact O-N 3.25Å; P19-N22 HydrophobicContact CB-CB 4.4Å; P19-N22 WeakPolarHBondContact O-CB 3.49Å; P19-N22 PolarHBondContact O-N 3.33Å |
| 20 | L | 96.3 | Very high | 95.3 | Very high | 11 Ų | 11 | 69.7 Ų | 69.7 | 6% | 0.058 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -59.3 | -36.1 | 174.1 | -179.9 | 59.9 | 0 | 0 | 0 | 111.5 | N22 L23 F133 K321 Q350 | L20-N22 PolarHBondContact O-N 3.06Å; L20-L23 HydrophobicContact CD1-CD1 3.96Å; L20-L23 WeakPolarHBondContact O-CB 3.2Å; L20-L23 PolarHBondContact O-N 2.93Å; L20-F133 HydrophobicContact CB-CE2 4.18Å; L20-F133 HydrophobicContact CB-CZ 3.88Å; L20-F133 HydrophobicContact CD1-CE1 4.18Å; L20-F133 HydrophobicContact CD1-CZ 4.2Å; L20-K321 HydrophobicContact CD1-CD 3.95Å; L20-Q350 WeakPolarHBondContact CB-O 3.32Å; L20-Q350 PolarHBondContact N-O 2.8Å |
| 21 | T | 95.9 | Very high | 95.4 | Very high | 125 Ų | 125 | 72 Ų | 72 | 77% | 0.767 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -62.8 | -22.1 | 176.8 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | P19 L23 | P19-T21 PolarHBondContact O-N 3.25Å; T21-L23 VanDerWaalsContact C-N 3.29Å |
| 22 | N | 97.4 | Very high | 95.6 | Very high | 103 Ų | 103 | 66.6 Ų | 66.6 | 55% | 0.551 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -82.7 | -6 | 176 | -71.2 | -0.9 | 0 | 0 | 0 | 112.4 | P19 L20 K328 | P19-N22 HydrophobicContact CB-CB 4.4Å; P19-N22 WeakPolarHBondContact O-CB 3.49Å; P19-N22 PolarHBondContact O-N 3.33Å; L20-N22 PolarHBondContact O-N 3.06Å; N22-K328 PolarHBondContact O-NZ 3.46Å |
| 23 | L | 98.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 65.6 Ų | 65.6 | 6% | 0.058 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -91.2 | 130.9 | -179.3 | -57.7 | -175.9 | 0 | 0 | 0 | 112.1 | I18 L20 T21 G25 F133 K321 D324 L325 K328 | I18-L23 HydrophobicContact CG2-CD2 3.99Å; L20-L23 HydrophobicContact CD1-CD1 3.96Å; L20-L23 WeakPolarHBondContact O-CB 3.2Å; L20-L23 PolarHBondContact O-N 2.93Å; T21-L23 VanDerWaalsContact C-N 3.29Å; L23-G25 PolarHBondContact O-N 2.91Å; L23-F133 HydrophobicContact CD1-CE1 3.88Å; L23-K321 HydrophobicContact CB-CB 3.98Å; L23-K321 HydrophobicContact CB-CG 3.97Å; L23-K321 HydrophobicContact CD1-CB 4.29Å; L23-D324 WeakPolarHBondContact CA-OD2 3.37Å; L23-L325 HydrophobicContact CD1-CB 3.84Å; L23-L325 HydrophobicContact CD1-CD1 4.36Å; L23-L325 HydrophobicContact CD1-CD2 4.22Å; L23-L325 HydrophobicContact CD1-CG 4.37Å; L23-L325 HydrophobicContact CD2-CB 3.97Å; L23-L325 HydrophobicContact CD2-CD1 4.26Å; L23-K328 HydrophobicContact CD2-CD 3.92Å |
| 24 | S | 97.4 | Very high | 96.2 | Very high | 54 Ų | 54 | 64.9 Ų | 64.9 | 38% | 0.378 | 38% | 0.384 | S | S | . | . | trans | -75.1 | 115.6 | 177.6 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | K26 S320 K321 D324 | S24-K26 PolarHBondContact O-N 2.79Å; S24-K26 PolarHBondContact OG-N 2.8Å; S24-K26 PolarHBondContact OG-O 2.81Å; S24-S320 CarbonylContact O-C 3.58Å; S24-S320 WeakPolarHBondContact O-CB 3.18Å; S24-K321 WeakPolarHBondContact O-CA 3.43Å; S24-K321 PolarHBondContact O-N 2.91Å; S24-D324 PolarHBondContact N-OD2 3.12Å | ||
| 25 | G | 95.6 | Very high | 96.3 | Very high | 25 Ų | 25 | 66.8 Ų | 66.8 | 26% | 0.258 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -81.1 | 13.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L23 S317 | L23-G25 PolarHBondContact O-N 2.91Å; G25-S317 WeakPolarHBondContact CA-O 3.44Å; G25-S317 WeakPolarHBondContact O-CA 3.28Å |
| 26 | K | 95.5 | Very high | 96.6 | Very high | 178 Ų | 178 | 66.1 Ų | 66.1 | 77% | 0.774 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -136.3 | 152.9 | -176 | -62.6 | -178.1 | -176.8 | 178.4 | 0 | 111.2 | S24 G28 | S24-K26 PolarHBondContact O-N 2.79Å; S24-K26 PolarHBondContact OG-N 2.8Å; S24-K26 PolarHBondContact OG-O 2.81Å; K26-G28 PolarHBondContact O-N 2.83Å |
| 27 | G | 93 | Very high | 96.7 | Very high | 85 Ų | 85 | 68.7 Ų | 68.7 | 88% | 0.876 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 73.5 | 4.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 28 | G | 95.4 | Very high | 96.7 | Very high | 22 Ų | 22 | 66 Ų | 66 | 23% | 0.227 | 38% | 0.38 | C | S | . | . | trans | -77.2 | 165.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K26 S320 | K26-G28 PolarHBondContact O-N 2.83Å; G28-S320 WeakPolarHBondContact CA-OG 3.35Å; G28-S320 PolarHBondContact N-OG 3.27Å | ||
| 29 | P | 96.6 | Very high | 96.7 | Very high | 23 Ų | 23 | 65.4 Ų | 65.4 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | trans | -64.9 | 146.8 | 174.5 | 29.9 | -36.5 | 0 | 0 | 0 | 111.2 | L200 L319 Y323 | P29-L200 HydrophobicContact CB-CD1 4.09Å; P29-L200 HydrophobicContact CG-CD1 3.44Å; P29-L200 VanDerWaalsContact CG-CD1 3.44Å; P29-L200 HydrophobicContact CG-CG 3.77Å; P29-L319 WeakPolarHBondContact O-CD2 3.1Å; P29-Y323 HydrophobicContact CG-CD1 4.3Å; P29-Y323 HydrophobicContact CG-CD2 3.89Å; P29-Y323 HydrophobicContact CG-CE2 4.35Å; P29-Y323 HydrophobicContact CG-CG 3.86Å | ||
| 30 | S | 94.9 | Very high | 96.8 | Very high | 54 Ų | 54 | 64.3 Ų | 64.3 | 38% | 0.378 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -108.5 | -3.6 | 174.4 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 31 | T | 96.7 | Very high | 96.8 | Very high | 72 Ų | 72 | 63.8 Ų | 63.8 | 44% | 0.442 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -141.5 | 158.7 | -177.4 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 32 | L | 98.4 | Very high | 96.9 | Very high | 25 Ų | 25 | 57.8 Ų | 57.8 | 13% | 0.131 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 146.8 | 165.8 | -58.5 | -177.5 | 0 | 0 | 0 | 109.5 | I35 Y198 Q199 L200 F278 T281 | L32-I35 HydrophobicContact CB-CD1 4.13Å; L32-I35 HydrophobicContact CB-CG1 4.26Å; L32-Y198 HydrophobicContact CB-CD2 4.48Å; L32-Y198 HydrophobicContact CD1-CD1 4.11Å; L32-Y198 HydrophobicContact CD1-CD2 3.91Å; L32-Y198 HydrophobicContact CD1-CE1 4.08Å; L32-Y198 HydrophobicContact CD1-CE2 3.88Å; L32-Y198 HydrophobicContact CD1-CG 4Å; L32-Y198 HydrophobicContact CD2-CD2 3.62Å; L32-Y198 HydrophobicContact CD2-CE2 3.66Å; L32-Y198 HydrophobicContact CD2-CG 4.41Å; L32-Y198 HydrophobicContact CG-CD2 4.21Å; L32-Y198 HydrophobicContact CG-CE2 4.38Å; L32-Q199 WeakPolarHBondContact CA-O 3.11Å; L32-L200 HydrophobicContact CD2-CB 3.89Å; L32-L200 HydrophobicContact CD2-CD1 3.61Å; L32-L200 HydrophobicContact CD2-CG 4.3Å; L32-F278 HydrophobicContact CD1-CE1 4.28Å; L32-F278 WeakPolarHBondContact CD1-O 3.42Å; L32-F278 HydrophobicContact CD2-CE1 3.77Å; L32-F278 HydrophobicContact CD2-CZ 3.89Å; L32-F278 HydrophobicContact CG-CE1 3.87Å; L32-F278 HydrophobicContact CG-CE2 4.39Å; L32-F278 HydrophobicContact CG-CZ 3.77Å; L32-T281 HydrophobicContact CD1-CG2 3.76Å |
| 33 | K | 98.3 | Very high | 96.8 | Very high | 122 Ų | 122 | 53.3 Ų | 53.3 | 53% | 0.53 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 163.3 | 177.7 | -63.7 | -178.8 | -178.9 | 176.4 | 0 | 110.2 | I35 Q199 | K33-I35 VanDerWaalsContact C-N 3.27Å; K33-I35 PolarHBondContact O-N 3.22Å; K33-Q199 HydrophobicContact CB-CB 4.36Å; K33-Q199 PolarHBondContact N-O 3.45Å; K33-Q199 PolarHBondContact O-N 3.38Å |
| 34 | H | 98 | Very high | 96.5 | Very high | 140 Ų | 140 | 54.5 Ų | 54.5 | 65% | 0.648 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.5 | 45.5 | 174.6 | -52.6 | -66.4 | 0 | 0 | 0 | 113.1 | E36 Q199 | H34-E36 PolarHBondContact O-N 3.44Å; H34-Q199 PolarHBondContact CD2-OE1 2.91Å; H34-Q199 VanDerWaalsContact CD2-OE1 3.28Å |
| 35 | I | 97.9 | Very high | 95.7 | Very high | 96 Ų | 96 | 56 Ų | 56 | 49% | 0.492 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 125.6 | -179.7 | -56.2 | 169.8 | 0 | 0 | 0 | 108.7 | L32 K33 S197 T281 | L32-I35 HydrophobicContact CB-CD1 4.13Å; L32-I35 HydrophobicContact CB-CG1 4.26Å; K33-I35 VanDerWaalsContact C-N 3.27Å; K33-I35 PolarHBondContact O-N 3.22Å; I35-S197 CarbonylContact C-O 3.57Å; I35-S197 VanDerWaalsContact CA-O 3.31Å; I35-S197 WeakPolarHBondContact CA-O 3.26Å; I35-T281 HydrophobicContact CD1-CG2 4.05Å; I35-T281 HydrophobicContact CG1-CG2 4.36Å; I35-T281 HydrophobicContact CG2-CG2 3.99Å |
| 36 | E | 96.7 | Very high | 94.3 | Very high | 90 Ų | 90 | 61.3 Ų | 61.3 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 140.4 | 176.9 | 176.4 | 172.9 | -165.8 | 0 | 0 | 110.2 | H34 K111 V196 S197 | H34-E36 PolarHBondContact O-N 3.44Å; E36-K111 IonicContact OE1-NZ 3.85Å; E36-K111 PolarHBondContact OE1-NZ 3.44Å; E36-V196 CarbonylContact O-C 3.52Å; E36-V196 VanDerWaalsContact O-CA 3.31Å; E36-V196 WeakPolarHBondContact O-CA 3.44Å; E36-S197 PolarHBondContact N-O 3.27Å; E36-S197 PolarHBondContact O-N 3.34Å |
| 37 | L | 96.9 | Very high | 92.1 | Very high | 79 Ų | 79 | 58.4 Ų | 58.4 | 41% | 0.414 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 115.3 | 165.4 | 178.1 | 65.6 | 0 | 0 | 0 | 108.3 | S39 R194 V196 | L37-S39 WeakPolarHBondContact CD1-O 3.41Å; L37-R194 HydrophobicContact CD1-CB 3.95Å; L37-R194 HydrophobicContact CD1-CG 4.08Å; L37-V196 HydrophobicContact CD1-CG1 4.1Å |
| 38 | V | 97.5 | Very high | 89.8 | Confident | 24 Ų | 24 | 61 Ų | 61 | 15% | 0.145 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -45.5 | -179.2 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | A102 E105 F113 I195 S197 L206 | V38-A102 HydrophobicContact CG1-CB 3.98Å; V38-E105 WeakPolarHBondContact O-CG 3.22Å; V38-F113 HydrophobicContact CG1-CD2 4.03Å; V38-F113 HydrophobicContact CG1-CE2 4.09Å; V38-I195 WeakPolarHBondContact CA-O 3.33Å; V38-I195 HydrophobicContact CB-CB 4.48Å; V38-I195 HydrophobicContact CB-CG2 4.25Å; V38-I195 WeakPolarHBondContact CB-O 3.35Å; V38-I195 PolarHBondContact N-O 3.16Å; V38-S197 WeakPolarHBondContact CG2-OG 3.34Å; V38-L206 HydrophobicContact CB-CD1 4.16Å; V38-L206 HydrophobicContact CG1-CD1 4.37Å; V38-L206 HydrophobicContact CG2-CD1 3.7Å |
| 39 | S | 97.8 | Very high | 87.6 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.014 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 172.2 | 174.4 | 62.1 | 0 | 0 | 0 | 0 | 111 | L37 S101 A102 I195 | L37-S39 WeakPolarHBondContact CD1-O 3.41Å; S39-S101 WeakPolarHBondContact CB-O 3.49Å; S39-S101 PolarHBondContact OG-OG 2.77Å; S39-A102 PolarHBondContact OG-N 3.42Å; S39-I195 PolarHBondContact N-O 3.4Å; S39-I195 PolarHBondContact O-N 2.78Å; S39-I195 WeakPolarHBondContact OG-CB 3.18Å; S39-I195 WeakPolarHBondContact OG-CG1 3.38Å |
| 40 | S | 97.8 | Very high | 85.1 | Confident | 9 Ų | 9 | 69.9 Ų | 69.9 | 6% | 0.063 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 154.5 | 170.7 | 66.9 | 0 | 0 | 0 | 0 | 110 | P60 G61 S193 | S40-P60 WeakPolarHBondContact O-CA 3.44Å; S40-G61 PolarHBondContact O-N 3.1Å; S40-G61 PolarHBondContact OG-N 3.24Å; S40-G61 PolarHBondContact OG-O 2.57Å; S40-S193 CarbonylContact C-O 3.52Å; S40-S193 VanDerWaalsContact CA-O 3.26Å; S40-S193 WeakPolarHBondContact CA-O 3.44Å |
| 41 | Y | 97.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 157.9 | 175.4 | 64.1 | -92.5 | 0 | 0 | 0 | 112.9 | W43 I57 I58 D86 A97 S101 H192 S193 I195 R208 | Y41-W43 AromaticContact CE2-NE1 3.89Å; Y41-I57 HydrophobicContact CD2-CB 4.17Å; Y41-I57 HydrophobicContact CD2-CG2 3.77Å; Y41-I57 HydrophobicContact CE2-CG2 4.24Å; Y41-I57 HydrophobicContact CG-CB 4.43Å; Y41-I57 HydrophobicContact CG-CD1 4.19Å; Y41-I57 HydrophobicContact CG-CG2 4.42Å; Y41-I58 WeakPolarHBondContact CA-O 3.17Å; Y41-I58 WeakPolarHBondContact CB-O 3.42Å; Y41-D86 PolarHBondContact OH-OD1 3.13Å; Y41-A97 HydrophobicContact CE1-CB 4.47Å; Y41-A97 HydrophobicContact CE2-CB 4.11Å; Y41-S101 WeakPolarHBondContact CD1-OG 3.21Å; Y41-H192 WeakPolarHBondContact O-CA 3.38Å; Y41-H192 PolarHBondContact O-ND1 3.45Å; Y41-H192 VanDerWaalsContact O-ND1 3.08Å; Y41-S193 PolarHBondContact N-O 3.24Å; Y41-S193 PolarHBondContact O-N 3.04Å; Y41-I195 HydrophobicContact CE1-CD1 3.92Å; Y41-I195 HydrophobicContact CE1-CG1 4.3Å; Y41-R208 WeakPolarHBondContact OH-CD 3.44Å; Y41-R208 PolarHBondContact OH-NH1 2.92Å |
| 42 | N | 97.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 144.4 | 162 | -66.5 | 68.8 | 0 | 0 | 0 | 108.9 | S44 I57 I58 G61 A62 L188 G190 A191 H192 | N42-S44 PolarHBondContact O-N 3.01Å; N42-I57 CarbonylContact O-C 3.46Å; N42-I57 VanDerWaalsContact O-CA 3.22Å; N42-I57 WeakPolarHBondContact O-CA 3.32Å; N42-I58 PolarHBondContact N-O 2.88Å; N42-I58 VanDerWaalsContact N-O 3.14Å; N42-I58 PolarHBondContact O-N 2.8Å; N42-G61 VanDerWaalsContact OD1-C 3.28Å; N42-G61 WeakPolarHBondContact OD1-CA 3.33Å; N42-A62 PolarHBondContact ND2-O 2.75Å; N42-A62 PolarHBondContact OD1-N 3.38Å; N42-A62 PolarHBondContact OD1-O 2.55Å; N42-A62 VanDerWaalsContact OD1-O 3.07Å; N42-L188 HydrophobicContact CB-CD2 4.21Å; N42-L188 PolarHBondContact ND2-O 3.36Å; N42-G190 PolarHBondContact ND2-O 3.47Å; N42-A191 VanDerWaalsContact CA-O 3.25Å; N42-A191 WeakPolarHBondContact CA-O 3.26Å; N42-H192 WeakPolarHBondContact ND2-CB 3.48Å; N42-H192 PolarHBondContact OD1-ND1 3.44Å |
| 43 | W | 96 | Very high | 79.5 | Confident | 9 Ų | 9 | 78.1 Ų | 78.1 | 3% | 0.034 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 124.5 | 161.7 | -77.9 | 107.7 | 0 | 0 | 0 | 109.3 | Y41 P55 I57 V85 D86 I89 M90 A97 A191 | Y41-W43 AromaticContact CE2-NE1 3.89Å; W43-P55 HydrophobicContact CH2-CB 4.21Å; W43-P55 HydrophobicContact CZ3-CB 3.86Å; W43-I57 HydrophobicContact CD2-CG2 3.87Å; W43-I57 HydrophobicContact CE3-CG2 3.52Å; W43-I57 HydrophobicContact CH2-CG2 4.08Å; W43-I57 HydrophobicContact CZ2-CG2 4.39Å; W43-I57 HydrophobicContact CZ3-CG2 3.62Å; W43-V85 HydrophobicContact CG-CG2 4.39Å; W43-D86 PolarHBondContact NE1-OD1 3.44Å; W43-I89 HydrophobicContact CB-CD1 4.11Å; W43-I89 HydrophobicContact CD2-CD1 3.35Å; W43-I89 HydrophobicContact CE3-CD1 3.58Å; W43-I89 HydrophobicContact CE3-CG2 4.04Å; W43-I89 HydrophobicContact CG-CD1 3.61Å; W43-I89 HydrophobicContact CH2-CB 4.17Å; W43-I89 HydrophobicContact CH2-CG2 3.7Å; W43-I89 HydrophobicContact CZ2-CB 4.3Å; W43-I89 HydrophobicContact CZ2-CD1 4.32Å; W43-I89 HydrophobicContact CZ2-CG2 4.31Å; W43-I89 HydrophobicContact CZ3-CB 4.34Å; W43-I89 HydrophobicContact CZ3-CD1 4.18Å; W43-I89 HydrophobicContact CZ3-CG2 3.56Å; W43-M90 HydrophobicContact CH2-CE 3.85Å; W43-M90 HydrophobicContact CH2-CG 4.11Å; W43-M90 HydrophobicContact CH2-SD 4.12Å; W43-M90 HydrophobicContact CZ2-CE 4.16Å; W43-A97 HydrophobicContact CH2-CB 3.98Å; W43-A97 HydrophobicContact CZ2-CB 3.79Å; W43-A191 PolarHBondContact N-O 2.73Å; W43-A191 VanDerWaalsContact N-O 3.08Å |
| 44 | S | 91.9 | Very high | 78.9 | Confident | 36 Ų | 36 | 77.6 Ų | 77.6 | 25% | 0.252 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 137.7 | 174.3 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | N42 R46 T56 | N42-S44 PolarHBondContact O-N 3.01Å; S44-R46 PolarHBondContact O-N 2.98Å; S44-T56 WeakPolarHBondContact CB-O 3.35Å; S44-T56 PolarHBondContact N-O 3.1Å |
| 45 | K | 80.6 | Confident | 78.7 | Confident | 85 Ų | 85 | 72.3 Ų | 72.3 | 37% | 0.37 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 129.3 | 172.9 | -77.3 | -177.7 | 170.1 | 176.1 | 0 | 108.8 | T47 D189 | K45-T47 PolarHBondContact O-N 2.88Å; K45-D189 WeakPolarHBondContact CE-OD2 3.38Å; K45-D189 IonicContact NZ-OD2 3.25Å; K45-D189 PolarHBondContact NZ-OD2 2.72Å |
| 46 | R | 65.3 | Low | 78.6 | Confident | 137 Ų | 137 | 68.9 Ų | 68.9 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | trans | -66.7 | 99.5 | 167.4 | -68.2 | -175.9 | 176.4 | -174.4 | -2.8 | 108 | S44 E51 A53 | S44-R46 PolarHBondContact O-N 2.98Å; R46-E51 PolarHBondContact NH1-O 3.23Å; R46-A53 HydrophobicContact CG-CB 4.44Å | ||
| 47 | T | 50.1 | Low | 78.6 | Confident | 117 Ų | 117 | 64.6 Ų | 64.6 | 72% | 0.718 | 36% | 0.355 | S | S | * | . | trans | -80 | 126.7 | 168.4 | 52 | 0 | 0 | 0 | 0 | 108.6 | K45 | K45-T47 PolarHBondContact O-N 2.88Š| ||
| 48 | D | 44.2 | Very low | 78.5 | Confident | 138 Ų | 138 | 60.9 Ų | 60.9 | 74% | 0.738 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 67.8 | 107 | 170.9 | -54.8 | -17.4 | 0 | 0 | 0 | 118.2 | N50 | D48-N50 PolarHBondContact O-N 2.82Š|
| 49 | S | 48.5 | Very low | 78.5 | Confident | 123 Ų | 123 | 59.7 Ų | 59.7 | 86% | 0.86 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 37.8 | -0.6 | 145.6 | 55.6 | 0 | 0 | 0 | 0 | 123 | ||
| 50 | N | 44.2 | Very low | 78.4 | Confident | 110 Ų | 110 | 59.8 Ų | 59.8 | 59% | 0.588 | 33% | 0.329 | S | S | * | . | trans | -104.6 | 100 | 174.4 | -77.1 | -20.7 | 0 | 0 | 0 | 108.3 | D48 S52 A53 | D48-N50 PolarHBondContact O-N 2.82Å; N50-S52 PolarHBondContact O-N 3.31Å; N50-A53 PolarHBondContact O-N 2.64Å; N50-A53 VanDerWaalsContact O-N 3.13Å | ||
| 51 | E | 50 | Low | 78.2 | Confident | 183 Ų | 183 | 59.4 Ų | 59.4 | 86% | 0.855 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -17.4 | 168.4 | -66.6 | -177.5 | 156.7 | 0 | 0 | 112.6 | R46 A53 | R46-E51 PolarHBondContact NH1-O 3.23Å; E51-A53 PolarHBondContact O-N 3.03Å |
| 52 | S | 50.6 | Low | 78.1 | Confident | 101 Ų | 101 | 59.4 Ų | 59.4 | 71% | 0.706 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 10.2 | 178.4 | 67.1 | 0 | 0 | 0 | 0 | 115.9 | N50 E54 | N50-S52 PolarHBondContact O-N 3.31Å; S52-E54 PolarHBondContact O-N 3.02Å |
| 53 | A | 71.6 | Confident | 78.1 | Confident | 40 Ų | 40 | 59.5 Ų | 59.5 | 33% | 0.331 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 125 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | R46 N50 E51 | R46-A53 HydrophobicContact CG-CB 4.44Å; N50-A53 PolarHBondContact O-N 2.64Å; N50-A53 VanDerWaalsContact O-N 3.13Å; E51-A53 PolarHBondContact O-N 3.03Å |
| 54 | E | 86.7 | Confident | 78.1 | Confident | 111 Ų | 111 | 61.7 Ų | 61.7 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 138.2 | 176.8 | -65.1 | -176.7 | 166.2 | 0 | 0 | 110.8 | S52 T56 R245 | S52-E54 PolarHBondContact O-N 3.02Å; E54-T56 PolarHBondContact O-N 2.62Å; E54-T56 PolarHBondContact O-OG1 3.27Å; E54-R245 HydrophobicContact CB-CG 4.08Å; E54-R245 WeakPolarHBondContact OE2-CD 3.4Å; E54-R245 WeakPolarHBondContact OE2-CG 3.35Å; E54-R245 IonicContact OE2-CZ 2.76Å; E54-R245 IonicContact OE2-NE 3.6Å; E54-R245 IonicContact OE2-NH1 2.78Å; E54-R245 PolarHBondContact OE2-NH1 3.36Å |
| 55 | P | 94 | Very high | 78.3 | Confident | 29 Ų | 29 | 62.6 Ų | 62.6 | 19% | 0.188 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 116.1 | 177 | -26.4 | 35.3 | 0 | 0 | 0 | 111.1 | W43 I89 M90 V244 R245 | W43-P55 HydrophobicContact CH2-CB 4.21Å; W43-P55 HydrophobicContact CZ3-CB 3.86Å; P55-I89 HydrophobicContact CB-CG2 3.86Å; P55-I89 HydrophobicContact CG-CG2 4.18Å; P55-M90 HydrophobicContact CB-CG 4.02Å; P55-M90 HydrophobicContact CB-SD 4.03Å; P55-M90 HydrophobicContact CG-CG 3.97Å; P55-M90 HydrophobicContact CG-SD 4.3Å; P55-V244 HydrophobicContact CB-CG2 4.48Å; P55-R245 PolarHBondContact O-N 2.89Å |
| 56 | T | 94.7 | Very high | 79.1 | Confident | 24 Ų | 24 | 60.1 Ų | 60.1 | 15% | 0.147 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 130.1 | -173.9 | -57.2 | 0 | 0 | 0 | 0 | 110.7 | S44 E54 R245 I247 | S44-T56 WeakPolarHBondContact CB-O 3.35Å; S44-T56 PolarHBondContact N-O 3.1Å; E54-T56 PolarHBondContact O-N 2.62Å; E54-T56 PolarHBondContact O-OG1 3.27Å; T56-R245 VanDerWaalsContact CA-O 3.31Å; T56-R245 WeakPolarHBondContact CA-O 3.32Å; T56-R245 HydrophobicContact CG2-CB 4.2Å; T56-I247 HydrophobicContact CG2-CD1 4.09Å; T56-I247 HydrophobicContact CG2-CG1 3.84Å |
| 57 | I | 96.7 | Very high | 80.5 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 159.3 | 175.4 | 59.3 | 172.1 | 0 | 0 | 0 | 111.5 | Y41 N42 W43 V59 A97 H100 V244 R245 H246 I247 | Y41-I57 HydrophobicContact CD2-CB 4.17Å; Y41-I57 HydrophobicContact CD2-CG2 3.77Å; Y41-I57 HydrophobicContact CE2-CG2 4.24Å; Y41-I57 HydrophobicContact CG-CB 4.43Å; Y41-I57 HydrophobicContact CG-CD1 4.19Å; Y41-I57 HydrophobicContact CG-CG2 4.42Å; N42-I57 CarbonylContact O-C 3.46Å; N42-I57 VanDerWaalsContact O-CA 3.22Å; N42-I57 WeakPolarHBondContact O-CA 3.32Å; W43-I57 HydrophobicContact CD2-CG2 3.87Å; W43-I57 HydrophobicContact CE3-CG2 3.52Å; W43-I57 HydrophobicContact CH2-CG2 4.08Å; W43-I57 HydrophobicContact CZ2-CG2 4.39Å; W43-I57 HydrophobicContact CZ3-CG2 3.62Å; I57-V59 HydrophobicContact CD1-CG2 3.6Å; I57-V59 HydrophobicContact CG1-CG2 3.83Å; I57-A97 HydrophobicContact CG2-CB 4.27Å; I57-H100 HydrophobicContact CD1-CB 4.45Å; I57-V244 HydrophobicContact CD1-CG1 4.05Å; I57-V244 HydrophobicContact CG1-CG1 3.82Å; I57-V244 HydrophobicContact CG2-CG1 4.32Å; I57-R245 WeakPolarHBondContact CG1-O 3.45Å; I57-R245 PolarHBondContact N-O 3.19Å; I57-H246 HydrophobicContact CG1-CB 4.02Å; I57-H246 CarbonylContact O-C 3.03Å; I57-H246 WeakPolarHBondContact O-CA 3.34Å; I57-I247 PolarHBondContact O-N 2.94Å |
| 58 | I | 95.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.4 | 171.1 | -63.5 | 164.5 | 0 | 0 | 0 | 107.9 | Y41 N42 G61 E187 L188 L230 I247 | Y41-I58 WeakPolarHBondContact CA-O 3.17Å; Y41-I58 WeakPolarHBondContact CB-O 3.42Å; N42-I58 PolarHBondContact N-O 2.88Å; N42-I58 VanDerWaalsContact N-O 3.14Å; N42-I58 PolarHBondContact O-N 2.8Å; I58-G61 PolarHBondContact O-N 2.79Å; I58-E187 HydrophobicContact CD1-CB 4.28Å; I58-E187 VanDerWaalsContact CD1-O 3.28Å; I58-E187 WeakPolarHBondContact CD1-O 3.5Å; I58-L188 HydrophobicContact CB-CD2 4.34Å; I58-L188 HydrophobicContact CD1-CD2 3.89Å; I58-L188 HydrophobicContact CG2-CD2 3.94Å; I58-L230 HydrophobicContact CD1-CD1 4.07Å; I58-L230 HydrophobicContact CG1-CD1 4.43Å; I58-L230 HydrophobicContact CG2-CD2 3.79Å; I58-I247 WeakPolarHBondContact CA-O 3.35Å; I58-I247 HydrophobicContact CG1-CB 4.39Å |
| 59 | V | 96.4 | Very high | 85 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 129.2 | -175.5 | -173.2 | 0 | 0 | 0 | 0 | 110.8 | I57 V104 H246 I247 Q248 S249 | I57-V59 HydrophobicContact CD1-CG2 3.6Å; I57-V59 HydrophobicContact CG1-CG2 3.83Å; V59-V104 HydrophobicContact CB-CG1 3.95Å; V59-V104 HydrophobicContact CG1-CB 4.1Å; V59-V104 HydrophobicContact CG1-CG1 3.73Å; V59-H246 HydrophobicContact CG2-CB 4.07Å; V59-I247 PolarHBondContact N-O 2.99Å; V59-Q248 WeakPolarHBondContact O-CA 3.33Å; V59-Q248 PolarHBondContact O-NE2 3.21Å; V59-S249 PolarHBondContact O-N 3.19Å |
| 60 | P | 95.8 | Very high | 87.3 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | S | Bend | cis | -66.9 | 140.7 | -13.8 | 29.2 | -35.7 | 0 | 0 | 0 | 112.3 | S40 S249 R250 I252 | S40-P60 WeakPolarHBondContact O-CA 3.44Å; P60-S249 VanDerWaalsContact CD-OG 3.29Å; P60-S249 WeakPolarHBondContact CD-OG 3.48Å; P60-S249 PolarHBondContact O-OG 3.41Å; P60-R250 WeakPolarHBondContact CG-O 3.24Å; P60-I252 HydrophobicContact CG-CB 4.16Å; P60-I252 HydrophobicContact CG-CG1 4.27Å; P60-I252 WeakPolarHBondContact O-CD1 3.15Å |
| 61 | G | 95.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | trans | -75.8 | 166.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S40 N42 I58 H192 | S40-G61 PolarHBondContact O-N 3.1Å; S40-G61 PolarHBondContact OG-N 3.24Å; S40-G61 PolarHBondContact OG-O 2.57Å; N42-G61 VanDerWaalsContact OD1-C 3.28Å; N42-G61 WeakPolarHBondContact OD1-CA 3.33Å; I58-G61 PolarHBondContact O-N 2.79Å; G61-H192 PolarHBondContact O-CE1 3.45Å; G61-H192 VanDerWaalsContact O-CE1 3.26Å | ||
| 62 | A | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -130 | 145.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N42 L184 L188 H192 I252 | N42-A62 PolarHBondContact ND2-O 2.75Å; N42-A62 PolarHBondContact OD1-N 3.38Å; N42-A62 PolarHBondContact OD1-O 2.55Å; N42-A62 VanDerWaalsContact OD1-O 3.07Å; A62-L184 HydrophobicContact CB-CD1 4.49Å; A62-L188 HydrophobicContact CB-CD1 3.56Å; A62-H192 PolarHBondContact N-CE1 3.3Å; A62-H192 PolarHBondContact N-ND1 3.01Å; A62-I252 HydrophobicContact CB-CD1 3.85Å; A62-I252 HydrophobicContact CB-CG2 3.82Å | ||
| 63 | P | 96.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.013 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 167.2 | 171.5 | 30.9 | -31.6 | 0 | 0 | 0 | 110.8 | H192 V211 A214 F216 V254 | P63-H192 HydrophobicContact CB-CB 4.45Å; P63-H192 WeakPolarHBondContact CD-NE2 3.29Å; P63-H192 VanDerWaalsContact N-CD2 3.34Å; P63-V211 HydrophobicContact CB-CG1 3.9Å; P63-V211 HydrophobicContact CG-CG1 4.4Å; P63-A214 HydrophobicContact CB-CB 4.44Å; P63-A214 HydrophobicContact CG-CB 3.56Å; P63-F216 HydrophobicContact CG-CZ 4.08Å; P63-V254 HydrophobicContact CG-CG1 4.01Å |
| 64 | K | 96.4 | Very high | 95.3 | Very high | 55 Ų | 55 | 45 Ų | 45 | 24% | 0.239 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 153.9 | 169.7 | -59.9 | -172.2 | -168.9 | -161.8 | 0 | 110.7 | C181 A182 D189 D212 C213 A214 | K64-C181 HydrophobicContact CB-CB 3.97Å; K64-C181 HydrophobicContact CD-CB 4.1Å; K64-A182 CarbonylContact C-O 3.56Å; K64-A182 WeakPolarHBondContact CA-O 3.07Å; K64-A182 WeakPolarHBondContact CB-O 3.29Å; K64-D189 VanDerWaalsContact CE-OD1 3.3Å; K64-D189 WeakPolarHBondContact CE-OD1 3.27Å; K64-D189 PolarHBondContact NZ-O 3.46Å; K64-D189 IonicContact NZ-OD1 2.68Å; K64-D189 PolarHBondContact NZ-OD1 2.98Å; K64-D212 WeakPolarHBondContact CB-O 3.36Å; K64-C213 HydrophobicContact CB-CB 4.41Å; K64-C213 CarbonylContact O-C 3.57Å; K64-C213 VanDerWaalsContact O-C 3.28Å; K64-C213 WeakPolarHBondContact O-CA 3.32Å; K64-C213 VanDerWaalsContact O-CB 3.27Å; K64-C213 WeakPolarHBondContact O-CB 3.24Å; K64-A214 PolarHBondContact O-N 3.35Å |
| 65 | Q | 95.9 | Very high | 95.6 | Very high | 55 Ų | 55 | 44 Ų | 44 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 134.6 | 169.2 | 177.9 | 178.8 | 13.5 | 0 | 0 | 110.5 | C181 A182 L184 F216 L221 | Q65-C181 WeakPolarHBondContact O-CA 3.43Å; Q65-A182 PolarHBondContact N-O 3Å; Q65-A182 PolarHBondContact O-N 3.02Å; Q65-L184 HydrophobicContact CB-CD2 3.96Å; Q65-L184 HydrophobicContact CB-CG 4.43Å; Q65-F216 HydrophobicContact CB-CD2 4Å; Q65-F216 HydrophobicContact CB-CE2 4.08Å; Q65-F216 HydrophobicContact CG-CD2 4.11Å; Q65-L221 HydrophobicContact CG-CD2 4.41Å |
| 66 | F | 96.9 | Very high | 95.6 | Very high | 34 Ų | 34 | 46.6 Ų | 46.6 | 15% | 0.149 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 126 | 167.9 | 176.8 | -109.9 | 0 | 0 | 0 | 111.4 | C180 C213 A214 M258 V286 I301 | F66-C180 CarbonylContact C-O 3.58Å; F66-C180 VanDerWaalsContact CA-O 3.29Å; F66-C180 WeakPolarHBondContact CA-O 3.24Å; F66-C180 HydrophobicContact CD2-CB 4.12Å; F66-C180 WeakPolarHBondContact CD2-O 3.31Å; F66-C180 HydrophobicContact CE2-CB 3.83Å; F66-C213 HydrophobicContact CB-CB 4.25Å; F66-A214 WeakPolarHBondContact CB-O 3.09Å; F66-A214 PolarHBondContact N-O 2.89Å; F66-M258 HydrophobicContact CB-CE 3.24Å; F66-M258 HydrophobicContact CD1-CE 3.97Å; F66-M258 HydrophobicContact CD2-CE 4.01Å; F66-M258 HydrophobicContact CG-CE 3.46Å; F66-M258 VanDerWaalsContact CG-CE 3.46Å; F66-V286 HydrophobicContact CD2-CG2 3.89Å; F66-V286 HydrophobicContact CE2-CB 4.32Å; F66-V286 HydrophobicContact CE2-CG1 3.77Å; F66-V286 HydrophobicContact CE2-CG2 3.65Å; F66-V286 HydrophobicContact CZ-CG1 4.22Å; F66-V286 HydrophobicContact CZ-CG2 4.2Å; F66-I301 HydrophobicContact CD1-CD1 4.43Å; F66-I301 HydrophobicContact CE1-CD1 3.81Å; F66-I301 HydrophobicContact CZ-CD1 4.21Å |
| 67 | R | 95 | Very high | 95.6 | Very high | 144 Ų | 144 | 45.9 Ų | 45.9 | 54% | 0.543 | 23% | 0.227 | S | C | . | . | trans | -105.6 | 120.5 | 174.9 | -68.5 | -175.1 | 175.4 | 165.9 | 3 | 109.6 | W69 C180 A182 | R67-W69 PolarHBondContact O-N 3.06Å; R67-C180 PolarHBondContact N-O 2.9Å; R67-A182 HydrophobicContact CG-CB 4.35Å | ||
| 68 | N | 93.6 | Very high | 95.4 | Very high | 102 Ų | 102 | 50.7 Ų | 50.7 | 55% | 0.545 | 26% | 0.261 | S | S | . | . | trans | -65.9 | 118 | 176.3 | -176.8 | 3.5 | 0 | 0 | 0 | 110.2 | Q70 K298 | N68-Q70 PolarHBondContact OD1-NE2 2.93Å; N68-K298 WeakPolarHBondContact OD1-CE 3.25Å | ||
| 69 | W | 95.6 | Very high | 95.2 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 19% | 0.189 | 28% | 0.283 | C | S | . | . | trans | -116.2 | 133.8 | 178 | 177 | 60.1 | 0 | 0 | 0 | 109.9 | R67 G71 G72 L74 L176 T179 F296 P299 | R67-W69 PolarHBondContact O-N 3.06Å; W69-G71 VanDerWaalsContact CE2-C 3.44Å; W69-G71 PolarHBondContact NE1-O 2.73Å; W69-G71 PolarHBondContact O-N 3.38Å; W69-G72 WeakPolarHBondContact CH2-O 3.47Å; W69-L74 HydrophobicContact CH2-CD1 3.73Å; W69-L74 HydrophobicContact CH2-CD2 3.95Å; W69-L74 HydrophobicContact CH2-CG 3.57Å; W69-L74 HydrophobicContact CZ2-CD2 4.08Å; W69-L74 HydrophobicContact CZ2-CG 4.15Å; W69-L74 HydrophobicContact CZ3-CD1 3.84Å; W69-L74 HydrophobicContact CZ3-CG 4.2Å; W69-L176 HydrophobicContact CE3-CD1 4.25Å; W69-L176 HydrophobicContact CZ3-CD1 4.16Å; W69-T179 HydrophobicContact CB-CG2 4.11Å; W69-T179 HydrophobicContact CD2-CG2 3.63Å; W69-T179 HydrophobicContact CE3-CG2 4.15Å; W69-T179 HydrophobicContact CG-CG2 3.6Å; W69-F296 HydrophobicContact CH2-CB 3.61Å; W69-F296 HydrophobicContact CH2-CD2 4.32Å; W69-F296 HydrophobicContact CH2-CG 4.08Å; W69-F296 HydrophobicContact CZ3-CB 3.63Å; W69-F296 HydrophobicContact CZ3-CG 4.04Å; W69-P299 HydrophobicContact CE3-CG 3.82Å; W69-P299 HydrophobicContact CZ3-CG 4.33Å; W69-P299 VanDerWaalsContact O-CD 3.25Å; W69-P299 WeakPolarHBondContact O-CD 3.41Å | ||
| 70 | Q | 96.4 | Very high | 94.8 | Very high | 121 Ų | 121 | 59.8 Ų | 59.8 | 57% | 0.565 | 32% | 0.316 | S | S | * | . | trans | -80.3 | 1.5 | -174.2 | -59.7 | -46.9 | -54 | 0 | 0 | 114.2 | N68 K298 | N68-Q70 PolarHBondContact OD1-NE2 2.93Å; Q70-K298 PolarHBondContact O-N 3.36Å | ||
| 71 | G | 95.7 | Very high | 94.4 | Very high | 20 Ų | 20 | 61.2 Ų | 61.2 | 21% | 0.206 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 92.5 | 172.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | W69 F296 | W69-G71 VanDerWaalsContact CE2-C 3.44Å; W69-G71 PolarHBondContact NE1-O 2.73Å; W69-G71 PolarHBondContact O-N 3.38Å; G71-F296 CarbonylContact C-O 3.54Å; G71-F296 WeakPolarHBondContact CA-O 3.3Å |
| 72 | G | 96.3 | Very high | 94.3 | Very high | 28 Ų | 28 | 64.4 Ų | 64.4 | 29% | 0.289 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.7 | -170.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | W69 F296 | W69-G72 WeakPolarHBondContact CH2-O 3.47Å; G72-F296 PolarHBondContact N-O 2.86Å; G72-F296 PolarHBondContact O-N 3.08Å |
| 73 | K | 96.6 | Very high | 94 | Very high | 155 Ų | 155 | 68.1 Ų | 68.1 | 67% | 0.674 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 135.6 | 175.5 | -69.8 | -172.9 | 175.7 | -172.8 | 0 | 110.3 | N294 | K73-N294 WeakPolarHBondContact CA-O 3.34Å |
| 74 | L | 96 | Very high | 93.9 | Very high | 12 Ų | 12 | 68.2 Ų | 68.2 | 6% | 0.063 | 36% | 0.356 | C | S | . | . | trans | -114.6 | 144.3 | 167 | -68 | 175.5 | 0 | 0 | 0 | 109.4 | W69 F172 L176 T179 N294 F296 | W69-L74 HydrophobicContact CH2-CD1 3.73Å; W69-L74 HydrophobicContact CH2-CD2 3.95Å; W69-L74 HydrophobicContact CH2-CG 3.57Å; W69-L74 HydrophobicContact CZ2-CD2 4.08Å; W69-L74 HydrophobicContact CZ2-CG 4.15Å; W69-L74 HydrophobicContact CZ3-CD1 3.84Å; W69-L74 HydrophobicContact CZ3-CG 4.2Å; L74-F172 HydrophobicContact CB-CD1 4.31Å; L74-L176 HydrophobicContact CD1-CB 4.24Å; L74-L176 HydrophobicContact CD1-CD1 4.24Å; L74-T179 HydrophobicContact CD2-CG2 4.4Å; L74-T179 VanDerWaalsContact CD2-OG1 3.24Å; L74-T179 WeakPolarHBondContact CD2-OG1 3.39Å; L74-N294 PolarHBondContact N-O 2.83Å; L74-F296 HydrophobicContact CB-CD2 4.18Å; L74-F296 HydrophobicContact CB-CE2 3.94Å; L74-F296 HydrophobicContact CD1-CD2 3.91Å; L74-F296 HydrophobicContact CD1-CE2 3.84Å; L74-F296 HydrophobicContact CD1-CG 4.33Å; L74-F296 HydrophobicContact CD1-CZ 4.17Å; L74-F296 HydrophobicContact CG-CD2 4.08Å; L74-F296 HydrophobicContact CG-CE2 4.19Å | ||
| 75 | P | 93.9 | Very high | 93.9 | Very high | 88 Ų | 88 | 66.8 Ų | 66.8 | 57% | 0.571 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 149.3 | 166.2 | 29.7 | -33.1 | 0 | 0 | 0 | 109.2 | F172 S175 | P75-F172 VanDerWaalsContact O-CD1 3.31Å; P75-F172 WeakPolarHBondContact O-CD1 3.49Å; P75-S175 WeakPolarHBondContact O-CB 3.5Å; P75-S175 PolarHBondContact O-OG 3.19Å; P75-S175 VanDerWaalsContact O-OG 3.04Å |
| 76 | E | 93.9 | Very high | 93.9 | Very high | 85 Ų | 85 | 64.8 Ų | 64.8 | 40% | 0.397 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 141.2 | 166.2 | -169.3 | 174.4 | 158.5 | 0 | 0 | 108.6 | S78 P170 F172 | E76-S78 PolarHBondContact O-N 2.95Å; E76-P170 VanDerWaalsContact OE1-CA 3.28Å; E76-P170 WeakPolarHBondContact OE1-CA 3.29Å; E76-F172 HydrophobicContact CB-CE1 3.93Å; E76-F172 HydrophobicContact CB-CZ 4.23Å; E76-F172 HydrophobicContact CG-CE1 4.38Å; E76-F172 HydrophobicContact CG-CZ 4.28Å |
| 77 | D | 93.9 | Very high | 93.8 | Very high | 8 Ų | 8 | 65.7 Ų | 65.7 | 4% | 0.043 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 136.9 | 176.5 | -59.8 | -25.7 | 0 | 0 | 0 | 109.1 | I167 S171 F172 D173 Q174 S175 | D77-I167 HydrophobicContact CB-CD1 3.45Å; D77-I167 VanDerWaalsContact CB-CD1 3.45Å; D77-I167 HydrophobicContact CB-CG2 4.13Å; D77-S171 WeakPolarHBondContact CB-O 3.37Å; D77-S171 VanDerWaalsContact CG-O 3.31Å; D77-S171 PolarHBondContact N-O 3.43Å; D77-S171 VanDerWaalsContact OD2-C 3.31Å; D77-S171 WeakPolarHBondContact OD2-CB 3.28Å; D77-S171 PolarHBondContact OD2-OG 3.09Å; D77-F172 WeakPolarHBondContact OD2-CA 3.35Å; D77-F172 PolarHBondContact OD2-N 2.89Å; D77-D173 PolarHBondContact OD2-N 3.25Å; D77-Q174 HydrophobicContact CB-CB 4.44Å; D77-Q174 WeakPolarHBondContact OD1-CB 3.48Å; D77-Q174 PolarHBondContact OD1-N 2.86Å; D77-Q174 PolarHBondContact OD2-N 2.81Å; D77-S175 WeakPolarHBondContact OD1-CB 3.29Å; D77-S175 PolarHBondContact OD1-N 3.27Å; D77-S175 PolarHBondContact OD1-OG 3.49Å |
| 78 | S | 91.9 | Very high | 93.7 | Very high | 102 Ų | 102 | 62.5 Ų | 62.5 | 71% | 0.713 | 34% | 0.34 | S | S | * | . | trans | -144.4 | 157.8 | -178.9 | 57.1 | 0 | 0 | 0 | 0 | 111 | E76 | E76-S78 PolarHBondContact O-N 2.95Š| ||
| 79 | G | 91.4 | Very high | 93.7 | Very high | 45 Ų | 45 | 59.1 Ų | 59.1 | 46% | 0.464 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 82.4 | -143.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N166 I167 | G79-N166 WeakPolarHBondContact O-CA 3.47Å; G79-I167 PolarHBondContact O-N 2.98Å |
| 80 | Q | 88.7 | Confident | 93.6 | Very high | 145 Ų | 145 | 57 Ų | 57 | 68% | 0.678 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 140.1 | -172.9 | -78.6 | -179.5 | -19.3 | 0 | 0 | 111.5 | V164 I165 N166 | Q80-V164 HydrophobicContact CB-CG1 3.7Å; Q80-V164 HydrophobicContact CG-CG1 3.96Å; Q80-I165 WeakPolarHBondContact CA-O 3.46Å; Q80-N166 WeakPolarHBondContact CG-OD1 3.31Å; Q80-N166 PolarHBondContact NE2-OD1 2.8Å |
| 81 | F | 88.3 | Confident | 93.4 | Very high | 33 Ų | 33 | 54.5 Ų | 54.5 | 15% | 0.145 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 146.5 | 169.7 | 81.4 | -83.6 | 0 | 0 | 0 | 111.2 | Y83 V164 I165 I167 Q174 | F81-Y83 AromaticContact CE2-CD2 3.67Å; F81-Y83 HydrophobicContact CE2-CD2 3.67Å; F81-Y83 HydrophobicContact CE2-CG 4.06Å; F81-Y83 HydrophobicContact CZ-CD2 4.08Å; F81-Y83 HydrophobicContact CZ-CG 4.36Å; F81-Y83 PolarHBondContact O-N 3.25Å; F81-V164 CarbonylContact O-C 3.56Å; F81-V164 VanDerWaalsContact O-CA 3.3Å; F81-V164 WeakPolarHBondContact O-CA 3.45Å; F81-I165 HydrophobicContact CD1-CB 3.96Å; F81-I165 HydrophobicContact CD1-CG2 4.33Å; F81-I165 WeakPolarHBondContact CD1-O 3.31Å; F81-I165 HydrophobicContact CE1-CB 3.4Å; F81-I165 HydrophobicContact CE1-CD1 4.41Å; F81-I165 HydrophobicContact CE1-CG1 4.42Å; F81-I165 HydrophobicContact CE1-CG2 3.52Å; F81-I165 HydrophobicContact CZ-CB 3.76Å; F81-I165 HydrophobicContact CZ-CD1 3.93Å; F81-I165 HydrophobicContact CZ-CG1 4.32Å; F81-I165 HydrophobicContact CZ-CG2 4.09Å; F81-I165 PolarHBondContact N-O 2.7Å; F81-I165 PolarHBondContact O-N 3.1Å; F81-I167 HydrophobicContact CB-CD1 4.3Å; F81-I167 HydrophobicContact CD1-CD1 3.71Å; F81-I167 HydrophobicContact CD1-CG1 3.36Å; F81-I167 HydrophobicContact CE1-CD1 4.38Å; F81-I167 HydrophobicContact CE1-CG1 3.8Å; F81-I167 HydrophobicContact CG-CD1 4.3Å; F81-I167 HydrophobicContact CG-CG1 4.38Å; F81-Q174 HydrophobicContact CB-CG 4.44Å |
| 82 | V | 91.2 | Very high | 93.3 | Very high | 69 Ų | 69 | 63.3 Ų | 63.3 | 42% | 0.418 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 116.4 | 174.7 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | V85 M88 D163 V164 | V82-V85 HydrophobicContact CG1-CB 3.79Å; V82-V85 HydrophobicContact CG1-CG2 4.31Å; V82-M88 HydrophobicContact CG1-CE 3.83Å; V82-M88 HydrophobicContact CG1-SD 3.87Å; V82-M88 HydrophobicContact CG2-CE 4.03Å; V82-M88 HydrophobicContact CG2-SD 3.86Å; V82-D163 CarbonylContact C-O 3.47Å; V82-V164 HydrophobicContact CG2-CG2 4.36Å |
| 83 | Y | 90.8 | Very high | 93.2 | Very high | 78 Ų | 78 | 62.7 Ų | 62.7 | 31% | 0.306 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -95.8 | -30.1 | -179.2 | -173.8 | -132.9 | 0 | 0 | 0 | 113.5 | F81 R158 E160 D163 I165 | F81-Y83 AromaticContact CE2-CD2 3.67Å; F81-Y83 HydrophobicContact CE2-CD2 3.67Å; F81-Y83 HydrophobicContact CE2-CG 4.06Å; F81-Y83 HydrophobicContact CZ-CD2 4.08Å; F81-Y83 HydrophobicContact CZ-CG 4.36Å; F81-Y83 PolarHBondContact O-N 3.25Å; Y83-R158 VanDerWaalsContact CE2-NH2 3.29Å; Y83-R158 PolarHBondContact O-NH1 3.13Å; Y83-R158 PolarHBondContact O-NH2 2.97Å; Y83-R158 VanDerWaalsContact O-NH2 3.14Å; Y83-E160 HydrophobicContact CD1-CB 4.23Å; Y83-E160 HydrophobicContact CD1-CG 3.79Å; Y83-E160 HydrophobicContact CE1-CB 4.41Å; Y83-E160 HydrophobicContact CE1-CG 3.75Å; Y83-E160 WeakPolarHBondContact CE1-OE1 3.35Å; Y83-D163 PolarHBondContact N-O 3.33Å; Y83-I165 HydrophobicContact CD1-CD1 3.35Å; Y83-I165 HydrophobicContact CD1-CG1 4.35Å; Y83-I165 HydrophobicContact CD2-CD1 4.24Å; Y83-I165 HydrophobicContact CE1-CD1 3.94Å; Y83-I165 HydrophobicContact CG-CD1 3.49Å; Y83-I165 VanDerWaalsContact CG-CD1 3.49Å; Y83-I165 HydrophobicContact CG-CG1 4.36Å |
| 84 | D | 94.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | trans | -136.7 | 89.2 | 173.6 | -168.9 | -18.6 | 0 | 0 | 0 | 109.6 | D86 H87 M88 R158 D163 | D84-D86 VanDerWaalsContact C-N 3.27Å; D84-D86 PolarHBondContact O-N 2.89Å; D84-D86 PolarHBondContact OD1-N 2.93Å; D84-H87 HydrophobicContact CB-CB 4.3Å; D84-H87 PolarHBondContact OD1-N 3.38Å; D84-M88 VanDerWaalsContact O-CB 3.29Å; D84-M88 WeakPolarHBondContact O-CB 3.26Å; D84-M88 PolarHBondContact O-N 2.93Å; D84-R158 WeakPolarHBondContact OD2-CD 3.5Å; D84-R158 IonicContact OD2-NE 3.04Å; D84-D163 PolarHBondContact N-O 2.82Å | ||
| 85 | V | 94.8 | Very high | 93.3 | Very high | 25 Ų | 25 | 55 Ų | 55 | 15% | 0.152 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.6 | -31.7 | -179 | 66.3 | 0 | 0 | 0 | 0 | 112.2 | W43 V82 M88 I89 A191 | W43-V85 HydrophobicContact CG-CG2 4.39Å; V82-V85 HydrophobicContact CG1-CB 3.79Å; V82-V85 HydrophobicContact CG1-CG2 4.31Å; V85-M88 HydrophobicContact CG2-CE 4.16Å; V85-I89 HydrophobicContact CG2-CD1 3.72Å; V85-I89 HydrophobicContact CG2-CG1 4.39Å; V85-I89 WeakPolarHBondContact O-CB 3.35Å; V85-I89 VanDerWaalsContact O-CG1 3.3Å; V85-I89 WeakPolarHBondContact O-CG1 3.49Å; V85-I89 PolarHBondContact O-N 2.9Å; V85-A191 HydrophobicContact CG1-CB 3.88Å; V85-A191 HydrophobicContact CG2-CB 4.39Å |
| 86 | D | 95.7 | Very high | 93.5 | Very high | 12 Ų | 12 | 50.8 Ų | 50.8 | 6% | 0.064 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.2 | -44.9 | -175.9 | -65 | -60.1 | 0 | 0 | 0 | 110.8 | Y41 W43 D84 M90 R208 | Y41-D86 PolarHBondContact OH-OD1 3.13Å; W43-D86 PolarHBondContact NE1-OD1 3.44Å; D84-D86 VanDerWaalsContact C-N 3.27Å; D84-D86 PolarHBondContact O-N 2.89Å; D84-D86 PolarHBondContact OD1-N 2.93Å; D86-M90 PolarHBondContact O-N 3.21Å; D86-R208 VanDerWaalsContact CB-NH1 3.34Å; D86-R208 IonicContact OD1-CZ 3.68Å; D86-R208 IonicContact OD1-NH1 3.2Å; D86-R208 PolarHBondContact OD1-NH1 2.76Å; D86-R208 VanDerWaalsContact OD1-NH1 3.16Å; D86-R208 IonicContact OD2-CZ 3.91Å; D86-R208 IonicContact OD2-NE 2.69Å; D86-R208 PolarHBondContact OD2-NE 3.1Å; D86-R208 IonicContact OD2-NH1 2.7Å; D86-R208 PolarHBondContact OD2-NH1 3.31Å; D86-R208 IonicContact OD2-NH2 3.42Å; D86-R208 PolarHBondContact OD2-NH2 2.91Å |
| 87 | H | 95.2 | Very high | 93.7 | Very high | 53 Ų | 53 | 46.7 Ų | 46.7 | 25% | 0.245 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.1 | -37.2 | 173.3 | -173.7 | -90.4 | 0 | 0 | 0 | 112.2 | D84 I89 M90 P91 P94 D163 | D84-H87 HydrophobicContact CB-CB 4.3Å; D84-H87 PolarHBondContact OD1-N 3.38Å; H87-I89 VanDerWaalsContact C-N 3.32Å; H87-I89 PolarHBondContact O-N 3.22Å; H87-M90 CarbonylContact O-C 3.58Å; H87-M90 VanDerWaalsContact O-C 3.24Å; H87-M90 PolarHBondContact O-N 2.84Å; H87-P91 PolarHBondContact NE2-O 3.18Å; H87-P91 WeakPolarHBondContact O-CA 3.43Å; H87-P91 WeakPolarHBondContact O-CB 3.26Å; H87-P91 VanDerWaalsContact O-CD 3.3Å; H87-P91 WeakPolarHBondContact O-CD 3.09Å; H87-P94 HydrophobicContact CB-CB 4.12Å; H87-D163 WeakPolarHBondContact CB-OD1 3.06Å; H87-D163 IonicContact CE1-OD1 3.94Å; H87-D163 IonicContact CE1-OD2 3.45Å; H87-D163 IonicContact CG-OD1 3.32Å; H87-D163 IonicContact ND1-OD1 2.74Å; H87-D163 PolarHBondContact ND1-OD1 3.48Å; H87-D163 IonicContact ND1-OD2 3.3Å; H87-D163 PolarHBondContact ND1-OD2 2.83Å |
| 88 | M | 94.2 | Very high | 93.9 | Very high | 78 Ų | 78 | 46.3 Ų | 46.3 | 38% | 0.384 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.8 | -44.7 | 174.6 | -171.2 | -177 | 64.3 | 0 | 0 | 112.4 | V82 D84 V85 D163 V164 | V82-M88 HydrophobicContact CG1-CE 3.83Å; V82-M88 HydrophobicContact CG1-SD 3.87Å; V82-M88 HydrophobicContact CG2-CE 4.03Å; V82-M88 HydrophobicContact CG2-SD 3.86Å; D84-M88 VanDerWaalsContact O-CB 3.29Å; D84-M88 WeakPolarHBondContact O-CB 3.26Å; D84-M88 PolarHBondContact O-N 2.93Å; V85-M88 HydrophobicContact CG2-CE 4.16Å; M88-D163 HydrophobicContact CB-CB 3.88Å; M88-D163 HydrophobicContact CG-CB 4.31Å; M88-V164 HydrophobicContact SD-CG2 3.98Å |
| 89 | I | 93.5 | Very high | 94.2 | Very high | 31 Ų | 31 | 41.5 Ų | 41.5 | 16% | 0.159 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -80.1 | -35.4 | -178.3 | -63.9 | 171 | 0 | 0 | 0 | 110.9 | W43 P55 V85 H87 | W43-I89 HydrophobicContact CB-CD1 4.11Å; W43-I89 HydrophobicContact CD2-CD1 3.35Å; W43-I89 HydrophobicContact CE3-CD1 3.58Å; W43-I89 HydrophobicContact CE3-CG2 4.04Å; W43-I89 HydrophobicContact CG-CD1 3.61Å; W43-I89 HydrophobicContact CH2-CB 4.17Å; W43-I89 HydrophobicContact CH2-CG2 3.7Å; W43-I89 HydrophobicContact CZ2-CB 4.3Å; W43-I89 HydrophobicContact CZ2-CD1 4.32Å; W43-I89 HydrophobicContact CZ2-CG2 4.31Å; W43-I89 HydrophobicContact CZ3-CB 4.34Å; W43-I89 HydrophobicContact CZ3-CD1 4.18Å; W43-I89 HydrophobicContact CZ3-CG2 3.56Å; P55-I89 HydrophobicContact CB-CG2 3.86Å; P55-I89 HydrophobicContact CG-CG2 4.18Å; V85-I89 HydrophobicContact CG2-CD1 3.72Å; V85-I89 HydrophobicContact CG2-CG1 4.39Å; V85-I89 WeakPolarHBondContact O-CB 3.35Å; V85-I89 VanDerWaalsContact O-CG1 3.3Å; V85-I89 WeakPolarHBondContact O-CG1 3.49Å; V85-I89 PolarHBondContact O-N 2.9Å; H87-I89 VanDerWaalsContact C-N 3.32Å; H87-I89 PolarHBondContact O-N 3.22Å |
| 90 | M | 93.7 | Very high | 94.5 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.025 | 19% | 0.188 | C | C | . | . | trans | -132.3 | 73 | -177.3 | -63.8 | -162.3 | -55.7 | 0 | 0 | 112.6 | W43 P55 D86 H87 R92 C93 P94 E96 A97 V244 | W43-M90 HydrophobicContact CH2-CE 3.85Å; W43-M90 HydrophobicContact CH2-CG 4.11Å; W43-M90 HydrophobicContact CH2-SD 4.12Å; W43-M90 HydrophobicContact CZ2-CE 4.16Å; P55-M90 HydrophobicContact CB-CG 4.02Å; P55-M90 HydrophobicContact CB-SD 4.03Å; P55-M90 HydrophobicContact CG-CG 3.97Å; P55-M90 HydrophobicContact CG-SD 4.3Å; D86-M90 PolarHBondContact O-N 3.21Å; H87-M90 CarbonylContact O-C 3.58Å; H87-M90 VanDerWaalsContact O-C 3.24Å; H87-M90 PolarHBondContact O-N 2.84Å; M90-R92 PolarHBondContact O-N 2.85Å; M90-C93 VanDerWaalsContact CE-O 3.32Å; M90-C93 WeakPolarHBondContact CE-O 3.32Å; M90-C93 CarbonylContact O-C 3.6Å; M90-C93 PolarHBondContact O-N 3.39Å; M90-C93 VanDerWaalsContact O-N 3.13Å; M90-P94 WeakPolarHBondContact O-CA 3.46Å; M90-P94 WeakPolarHBondContact O-CD 3.41Å; M90-P94 VanDerWaalsContact O-N 3.13Å; M90-E96 HydrophobicContact CE-CB 3.61Å; M90-E96 HydrophobicContact CE-CG 4.43Å; M90-E96 HydrophobicContact SD-CB 4.11Å; M90-E96 HydrophobicContact SD-CG 4.42Å; M90-A97 HydrophobicContact CE-CB 3.94Å; M90-V244 HydrophobicContact CE-CG2 3.82Å; M90-V244 HydrophobicContact SD-CG2 3.27Å; M90-V244 WeakPolarHBondContact SD-CG2 3.4Å | ||
| 91 | P | 92.3 | Very high | 95 | Very high | 68 Ų | 68 | 32.4 Ų | 32.4 | 44% | 0.442 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -14.7 | -173.7 | 24.7 | -35.2 | 0 | 0 | 0 | 114 | H87 | H87-P91 PolarHBondContact NE2-O 3.18Å; H87-P91 WeakPolarHBondContact O-CA 3.43Å; H87-P91 WeakPolarHBondContact O-CB 3.26Å; H87-P91 VanDerWaalsContact O-CD 3.3Å; H87-P91 WeakPolarHBondContact O-CD 3.09Å |
| 92 | R | 92.4 | Very high | 95.5 | Very high | 206 Ų | 206 | 30.9 Ų | 30.9 | 78% | 0.777 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -18.7 | 178.2 | -64.9 | -174.5 | -177.9 | 175 | 1.7 | 114 | M90 | M90-R92 PolarHBondContact O-N 2.85Š|
| 93 | C | 95.3 | Very high | 95.8 | Very high | 14 Ų | 14 | 29 Ų | 29 | 10% | 0.095 | 14% | 0.135 | C | C | . | . | trans | -151.8 | 54.2 | -171.7 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | M90 M95 E96 A364 | M90-C93 VanDerWaalsContact CE-O 3.32Å; M90-C93 WeakPolarHBondContact CE-O 3.32Å; M90-C93 CarbonylContact O-C 3.6Å; M90-C93 PolarHBondContact O-N 3.39Å; M90-C93 VanDerWaalsContact O-N 3.13Å; C93-M95 PolarHBondContact O-N 3.05Å; C93-E96 HydrophobicContact CB-CB 4.05Å; C93-E96 WeakPolarHBondContact O-CB 3.35Å; C93-E96 PolarHBondContact O-N 3.49Å; C93-A364 CarbonylContact C-O 3.53Å; C93-A364 VanDerWaalsContact CA-O 3.24Å; C93-A364 WeakPolarHBondContact CA-O 3.35Å | ||
| 94 | P | 96.2 | Very high | 96.1 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.032 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -16.3 | -169.5 | 27.8 | -38.9 | 0 | 0 | 0 | 115.1 | H87 M90 T157 R208 A364 | H87-P94 HydrophobicContact CB-CB 4.12Å; M90-P94 WeakPolarHBondContact O-CA 3.46Å; M90-P94 WeakPolarHBondContact O-CD 3.41Å; M90-P94 VanDerWaalsContact O-N 3.13Å; P94-T157 HydrophobicContact CB-CG2 4.47Å; P94-T157 HydrophobicContact CG-CG2 3.41Å; P94-T157 VanDerWaalsContact CG-CG2 3.41Å; P94-R208 PolarHBondContact O-NH1 3.44Å; P94-R208 PolarHBondContact O-NH2 3.47Å; P94-A364 WeakPolarHBondContact CD-O 3.38Å |
| 95 | M | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -1.3 | 176.3 | -64.9 | -176.6 | 64.4 | 0 | 0 | 113.2 | C93 A97 L98 F99 V121 L155 T157 A364 I365 | C93-M95 PolarHBondContact O-N 3.05Å; M95-A97 PolarHBondContact O-N 2.9Å; M95-L98 HydrophobicContact CE-CD1 4.3Å; M95-L98 WeakPolarHBondContact O-CB 3.28Å; M95-L98 PolarHBondContact O-N 3.17Å; M95-F99 HydrophobicContact CB-CE2 4.34Å; M95-F99 WeakPolarHBondContact O-CD2 3.47Å; M95-V121 HydrophobicContact CE-CB 3.93Å; M95-V121 HydrophobicContact CE-CG1 3.49Å; M95-V121 VanDerWaalsContact CE-CG1 3.49Å; M95-L155 HydrophobicContact CE-CB 4.33Å; M95-L155 HydrophobicContact SD-CB 4.25Å; M95-T157 HydrophobicContact CG-CG2 4.23Å; M95-T157 HydrophobicContact SD-CG2 4.32Å; M95-T157 PolarHBondContact SD-OG1 3.17Å; M95-A364 HydrophobicContact CB-CB 4.16Å; M95-A364 HydrophobicContact CG-CB 4.11Å; M95-A364 PolarHBondContact N-O 2.8Å; M95-A364 HydrophobicContact SD-CB 3.67Å; M95-I365 HydrophobicContact CB-CG2 4.03Å |
| 96 | E | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62 | -40.5 | -175.4 | -177.1 | 84.2 | -160.1 | 0 | 0 | 112.4 | M90 C93 L98 F99 H100 S242 T243 V244 S366 M369 | M90-E96 HydrophobicContact CE-CB 3.61Å; M90-E96 HydrophobicContact CE-CG 4.43Å; M90-E96 HydrophobicContact SD-CB 4.11Å; M90-E96 HydrophobicContact SD-CG 4.42Å; C93-E96 HydrophobicContact CB-CB 4.05Å; C93-E96 WeakPolarHBondContact O-CB 3.35Å; C93-E96 PolarHBondContact O-N 3.49Å; E96-L98 VanDerWaalsContact C-N 3.27Å; E96-L98 PolarHBondContact O-N 2.76Å; E96-F99 PolarHBondContact O-N 3.05Å; E96-H100 WeakPolarHBondContact O-CB 3.49Å; E96-H100 PolarHBondContact O-N 3.22Å; E96-S242 WeakPolarHBondContact OE1-CA 3.33Å; E96-S242 WeakPolarHBondContact OE1-CB 3.44Å; E96-S242 PolarHBondContact OE1-OG 3.25Å; E96-T243 PolarHBondContact OE1-N 2.99Å; E96-V244 HydrophobicContact CB-CG2 4.28Å; E96-V244 HydrophobicContact CG-CG2 3.74Å; E96-S366 PolarHBondContact OE1-OG 2.91Å; E96-S366 VanDerWaalsContact OE2-CB 3.31Å; E96-S366 WeakPolarHBondContact OE2-CB 3.46Å; E96-S366 PolarHBondContact OE2-N 2.92Å; E96-S366 PolarHBondContact OE2-OG 3.07Å; E96-M369 WeakPolarHBondContact OE1-CB 3.24Å; E96-M369 VanDerWaalsContact OE1-CE 3.26Å; E96-M369 WeakPolarHBondContact OE1-CE 3.13Å; E96-M369 WeakPolarHBondContact OE2-CB 3.41Å |
| 97 | A | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.6 | -32.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y41 W43 I57 M90 M95 S101 V244 | Y41-A97 HydrophobicContact CE1-CB 4.47Å; Y41-A97 HydrophobicContact CE2-CB 4.11Å; W43-A97 HydrophobicContact CH2-CB 3.98Å; W43-A97 HydrophobicContact CZ2-CB 3.79Å; I57-A97 HydrophobicContact CG2-CB 4.27Å; M90-A97 HydrophobicContact CE-CB 3.94Å; M95-A97 PolarHBondContact O-N 2.9Å; A97-S101 WeakPolarHBondContact O-CB 3.21Å; A97-S101 PolarHBondContact O-N 3.35Å; A97-S101 PolarHBondContact O-OG 3.02Å; A97-V244 HydrophobicContact CB-CG2 4.5Å |
| 98 | L | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 174.4 | 175.7 | 170.3 | 0 | 0 | 0 | 111.2 | M95 E96 S101 A102 V121 I195 L206 R208 | M95-L98 HydrophobicContact CE-CD1 4.3Å; M95-L98 WeakPolarHBondContact O-CB 3.28Å; M95-L98 PolarHBondContact O-N 3.17Å; E96-L98 VanDerWaalsContact C-N 3.27Å; E96-L98 PolarHBondContact O-N 2.76Å; L98-S101 PolarHBondContact O-OG 3.37Å; L98-S101 VanDerWaalsContact O-OG 3.08Å; L98-A102 WeakPolarHBondContact O-CB 3.45Å; L98-A102 PolarHBondContact O-N 3.49Å; L98-V121 HydrophobicContact CD1-CG1 3.7Å; L98-V121 HydrophobicContact CD2-CG1 3.96Å; L98-I195 HydrophobicContact CB-CD1 3.96Å; L98-I195 HydrophobicContact CB-CG1 4.49Å; L98-I195 HydrophobicContact CD1-CD1 4.14Å; L98-I195 HydrophobicContact CD2-CG2 4.12Å; L98-I195 HydrophobicContact CG-CD1 3.57Å; L98-I195 HydrophobicContact CG-CG1 3.99Å; L98-I195 HydrophobicContact CG-CG2 4Å; L98-L206 HydrophobicContact CD2-CD2 3.78Å; L98-L206 HydrophobicContact CD2-CG 4.43Å; L98-R208 HydrophobicContact CD1-CB 3.87Å |
| 99 | F | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.6 | -42.7 | 179.4 | -67.5 | -67.4 | 0 | 0 | 0 | 111.3 | M95 E96 S101 A102 F103 F113 L115 V121 L155 I365 M369 L373 | M95-F99 HydrophobicContact CB-CE2 4.34Å; M95-F99 WeakPolarHBondContact O-CD2 3.47Å; E96-F99 PolarHBondContact O-N 3.05Å; F99-S101 VanDerWaalsContact C-N 3.35Å; F99-S101 PolarHBondContact O-N 3.15Å; F99-A102 PolarHBondContact O-N 3.01Å; F99-A102 VanDerWaalsContact O-N 3.17Å; F99-F103 WeakPolarHBondContact O-CD2 3.42Å; F99-F103 PolarHBondContact O-N 3.25Å; F99-F113 AromaticContact CD1-CE1 3.93Å; F99-F113 HydrophobicContact CD1-CE1 3.93Å; F99-F113 HydrophobicContact CD1-CZ 4.03Å; F99-F113 HydrophobicContact CE1-CE1 4.39Å; F99-F113 HydrophobicContact CE1-CZ 4.24Å; F99-L115 HydrophobicContact CE1-CD1 3.67Å; F99-L115 HydrophobicContact CZ-CD1 4.21Å; F99-V121 HydrophobicContact CE1-CG1 4.4Å; F99-V121 HydrophobicContact CE1-CG2 4.34Å; F99-V121 HydrophobicContact CZ-CB 4.32Å; F99-V121 HydrophobicContact CZ-CG1 3.95Å; F99-V121 HydrophobicContact CZ-CG2 4.14Å; F99-L155 HydrophobicContact CE2-CD1 4.07Å; F99-L155 HydrophobicContact CE2-CD2 4.35Å; F99-L155 HydrophobicContact CZ-CD1 4.21Å; F99-L155 HydrophobicContact CZ-CD2 3.72Å; F99-I365 HydrophobicContact CD2-CG2 3.58Å; F99-I365 HydrophobicContact CE2-CG2 3.61Å; F99-M369 HydrophobicContact CB-CE 3.9Å; F99-M369 HydrophobicContact CB-CG 4.36Å; F99-M369 HydrophobicContact CB-SD 3.76Å; F99-M369 HydrophobicContact CG-SD 4.48Å; F99-L373 HydrophobicContact CD1-CD1 4.11Å; F99-L373 HydrophobicContact CD1-CD2 4.27Å; F99-L373 HydrophobicContact CD2-CD1 4.37Å; F99-L373 HydrophobicContact CE1-CD1 4.24Å; F99-L373 HydrophobicContact CE2-CD1 4.46Å; F99-L373 HydrophobicContact CG-CD1 4.18Å; F99-L373 HydrophobicContact CZ-CD1 4.39Å |
| 100 | H | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.5 | -50.7 | 176.4 | -168.9 | 106.9 | 0 | 0 | 0 | 111.3 | I57 E96 A102 F103 V104 I239 S242 V244 H246 | I57-H100 HydrophobicContact CD1-CB 4.45Å; E96-H100 WeakPolarHBondContact O-CB 3.49Å; E96-H100 PolarHBondContact O-N 3.22Å; H100-A102 VanDerWaalsContact C-N 3.31Å; H100-A102 PolarHBondContact O-N 2.91Å; H100-F103 PolarHBondContact O-N 2.85Å; H100-V104 WeakPolarHBondContact O-CG2 3.42Å; H100-V104 PolarHBondContact O-N 3.44Å; H100-V104 VanDerWaalsContact O-N 3.07Å; H100-I239 HydrophobicContact CB-CD1 4.5Å; H100-S242 VanDerWaalsContact ND1-CB 3.29Å; H100-S242 WeakPolarHBondContact ND1-CB 3.46Å; H100-S242 PolarHBondContact ND1-OG 3.42Å; H100-V244 HydrophobicContact CB-CB 4.19Å; H100-V244 HydrophobicContact CB-CG1 4.26Å; H100-V244 PolarHBondContact CE1-O 2.9Å; H100-V244 PolarHBondContact ND1-O 3.3Å; H100-H246 AromaticContact CD2-ND1 3.96Å; H100-H246 AromaticContact CE1-ND1 3.83Å; H100-H246 AromaticContact NE2-CG 3.54Å; H100-H246 AromaticContact NE2-ND1 2.93Å; H100-H246 PolarHBondContact NE2-ND1 3.23Å |
| 101 | S | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.2 | -36.3 | 179.6 | 70.3 | 0 | 0 | 0 | 0 | 112.5 | S39 Y41 A97 L98 F99 E105 | S39-S101 WeakPolarHBondContact CB-O 3.49Å; S39-S101 PolarHBondContact OG-OG 2.77Å; Y41-S101 WeakPolarHBondContact CD1-OG 3.21Å; A97-S101 WeakPolarHBondContact O-CB 3.21Å; A97-S101 PolarHBondContact O-N 3.35Å; A97-S101 PolarHBondContact O-OG 3.02Å; L98-S101 PolarHBondContact O-OG 3.37Å; L98-S101 VanDerWaalsContact O-OG 3.08Å; F99-S101 VanDerWaalsContact C-N 3.35Å; F99-S101 PolarHBondContact O-N 3.15Å; S101-E105 VanDerWaalsContact O-CB 3.3Å; S101-E105 WeakPolarHBondContact O-CB 3.4Å; S101-E105 PolarHBondContact O-N 3.21Å |
| 102 | A | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.2 | -41.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V38 S39 L98 F99 H100 A106 F113 | V38-A102 HydrophobicContact CG1-CB 3.98Å; S39-A102 PolarHBondContact OG-N 3.42Å; L98-A102 WeakPolarHBondContact O-CB 3.45Å; L98-A102 PolarHBondContact O-N 3.49Å; F99-A102 PolarHBondContact O-N 3.01Å; F99-A102 VanDerWaalsContact O-N 3.17Å; H100-A102 VanDerWaalsContact C-N 3.31Å; H100-A102 PolarHBondContact O-N 2.91Å; A102-A106 VanDerWaalsContact O-CB 3.22Å; A102-A106 WeakPolarHBondContact O-CB 3.16Å; A102-A106 PolarHBondContact O-N 3.4Å; A102-F113 HydrophobicContact CB-CD1 4.49Å; A102-F113 HydrophobicContact CB-CD2 3.73Å; A102-F113 HydrophobicContact CB-CE1 4.49Å; A102-F113 HydrophobicContact CB-CE2 3.72Å; A102-F113 HydrophobicContact CB-CG 4.12Å; A102-F113 HydrophobicContact CB-CZ 4.12Å |
| 103 | F | 97.8 | Very high | 96.2 | Very high | 28 Ų | 28 | 32.2 Ų | 32.2 | 12% | 0.123 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.7 | -45.2 | 175.8 | -79.1 | -67.6 | 0 | 0 | 0 | 112.5 | F99 H100 E105 A106 S107 F113 I239 F241 M369 H372 L373 | F99-F103 WeakPolarHBondContact O-CD2 3.42Å; F99-F103 PolarHBondContact O-N 3.25Å; H100-F103 PolarHBondContact O-N 2.85Å; F103-E105 PolarHBondContact O-N 2.73Å; F103-A106 PolarHBondContact O-N 2.85Å; F103-S107 PolarHBondContact O-N 3.27Å; F103-S107 PolarHBondContact O-OG 3.26Å; F103-F113 HydrophobicContact CD1-CB 4.26Å; F103-F113 HydrophobicContact CD1-CD1 4.31Å; F103-F113 HydrophobicContact CD2-CD1 4.49Å; F103-F113 HydrophobicContact CE1-CB 4.31Å; F103-F113 AromaticContact CE1-CD1 3.88Å; F103-F113 HydrophobicContact CE1-CD1 3.88Å; F103-F113 HydrophobicContact CE2-CD1 4.09Å; F103-F113 HydrophobicContact CE2-CE1 4.39Å; F103-F113 AromaticContact CZ-CD1 3.76Å; F103-F113 HydrophobicContact CZ-CD1 3.76Å; F103-F113 HydrophobicContact CZ-CE1 4.34Å; F103-I239 HydrophobicContact CB-CD1 4.14Å; F103-F241 HydrophobicContact CD1-CE2 4.42Å; F103-F241 HydrophobicContact CD1-CZ 4.3Å; F103-F241 AromaticContact CD2-CE2 3.68Å; F103-F241 HydrophobicContact CD2-CE2 3.68Å; F103-F241 HydrophobicContact CD2-CZ 4.32Å; F103-F241 AromaticContact CE2-CE2 3.84Å; F103-F241 HydrophobicContact CE2-CE2 3.84Å; F103-F241 AromaticContact CG-CE2 3.99Å; F103-F241 HydrophobicContact CG-CE2 3.99Å; F103-F241 HydrophobicContact CG-CZ 4.18Å; F103-F241 HydrophobicContact CZ-CE2 4.29Å; F103-M369 HydrophobicContact CD2-SD 4.39Å; F103-M369 HydrophobicContact CE2-SD 3.93Å; F103-H372 AromaticContact CE1-NE2 3.62Å; F103-H372 AromaticContact CZ-CD2 3.55Å; F103-H372 AromaticContact CZ-NE2 3.59Å; F103-L373 HydrophobicContact CE2-CD2 3.81Å; F103-L373 HydrophobicContact CZ-CD2 3.74Å |
| 104 | V | 96.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.3 | -47.8 | 177.8 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | V59 H100 A106 S107 R108 I239 H246 | V59-V104 HydrophobicContact CB-CG1 3.95Å; V59-V104 HydrophobicContact CG1-CB 4.1Å; V59-V104 HydrophobicContact CG1-CG1 3.73Å; H100-V104 WeakPolarHBondContact O-CG2 3.42Å; H100-V104 PolarHBondContact O-N 3.44Å; H100-V104 VanDerWaalsContact O-N 3.07Å; V104-A106 PolarHBondContact O-N 3.32Å; V104-S107 PolarHBondContact O-N 3.21Å; V104-R108 WeakPolarHBondContact O-CB 3.4Å; V104-R108 PolarHBondContact O-N 3.37Å; V104-I239 HydrophobicContact CG2-CG2 4.35Å; V104-H246 HydrophobicContact CG2-CB 4.49Å; V104-H246 WeakPolarHBondContact CG2-ND1 3.2Å |
| 105 | E | 96.8 | Very high | 96.2 | Very high | 27 Ų | 27 | 35.2 Ų | 35.2 | 13% | 0.126 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.5 | -37.4 | 179.6 | -175.1 | 64 | -173 | 0 | 0 | 112.4 | V38 S101 F103 R108 T109 | V38-E105 WeakPolarHBondContact O-CG 3.22Å; S101-E105 VanDerWaalsContact O-CB 3.3Å; S101-E105 WeakPolarHBondContact O-CB 3.4Å; S101-E105 PolarHBondContact O-N 3.21Å; F103-E105 PolarHBondContact O-N 2.73Å; E105-R108 PolarHBondContact O-N 3.04Å; E105-R108 IonicContact OE1-CZ 3.48Å; E105-R108 IonicContact OE1-NE 3.51Å; E105-R108 IonicContact OE1-NH2 2.66Å; E105-R108 PolarHBondContact OE1-NH2 2.95Å; E105-R108 IonicContact OE2-CZ 3.59Å; E105-R108 IonicContact OE2-NE 2.82Å; E105-R108 PolarHBondContact OE2-NE 2.77Å; E105-R108 IonicContact OE2-NH2 3.51Å; E105-T109 WeakPolarHBondContact O-CB 3.48Å; E105-T109 WeakPolarHBondContact O-CG2 3.43Å; E105-T109 PolarHBondContact O-N 3.19Å; E105-T109 PolarHBondContact O-OG1 2.93Å |
| 106 | A | 96.6 | Very high | 96.1 | Very high | 10 Ų | 10 | 42.4 Ų | 42.4 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.1 | -49.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A102 F103 V104 R108 T109 G110 K111 F113 | A102-A106 VanDerWaalsContact O-CB 3.22Å; A102-A106 WeakPolarHBondContact O-CB 3.16Å; A102-A106 PolarHBondContact O-N 3.4Å; F103-A106 PolarHBondContact O-N 2.85Å; V104-A106 PolarHBondContact O-N 3.32Å; A106-R108 VanDerWaalsContact C-N 3.34Å; A106-R108 PolarHBondContact O-N 3.37Å; A106-T109 PolarHBondContact O-N 3.2Å; A106-T109 PolarHBondContact O-OG1 2.94Å; A106-G110 PolarHBondContact O-N 2.6Å; A106-K111 CarbonylContact C-O 3.58Å; A106-K111 VanDerWaalsContact C-O 3.29Å; A106-K111 WeakPolarHBondContact CB-O 3.32Å; A106-K111 PolarHBondContact O-N 3.31Å; A106-F113 HydrophobicContact CB-CB 4Å |
| 107 | S | 95 | Very high | 96.1 | Very high | 101 Ų | 101 | 46.1 Ų | 46.1 | 71% | 0.706 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -58 | -44.1 | 175.4 | -66 | 0 | 0 | 0 | 0 | 112.3 | F103 V104 T109 G110 | F103-S107 PolarHBondContact O-N 3.27Å; F103-S107 PolarHBondContact O-OG 3.26Å; V104-S107 PolarHBondContact O-N 3.21Å; S107-T109 VanDerWaalsContact C-N 3.32Å; S107-T109 PolarHBondContact O-N 3.42Å; S107-G110 PolarHBondContact O-N 2.69Å |
| 108 | R | 93.2 | Very high | 96.1 | Very high | 92 Ų | 92 | 46.5 Ų | 46.5 | 35% | 0.347 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 178.8 | -167.8 | -164.9 | 68.9 | 69 | -6.3 | 113 | V104 E105 A106 | V104-R108 WeakPolarHBondContact O-CB 3.4Å; V104-R108 PolarHBondContact O-N 3.37Å; E105-R108 PolarHBondContact O-N 3.04Å; E105-R108 IonicContact OE1-CZ 3.48Å; E105-R108 IonicContact OE1-NE 3.51Å; E105-R108 IonicContact OE1-NH2 2.66Å; E105-R108 PolarHBondContact OE1-NH2 2.95Å; E105-R108 IonicContact OE2-CZ 3.59Å; E105-R108 IonicContact OE2-NE 2.82Å; E105-R108 PolarHBondContact OE2-NE 2.77Å; E105-R108 IonicContact OE2-NH2 3.51Å; A106-R108 VanDerWaalsContact C-N 3.34Å; A106-R108 PolarHBondContact O-N 3.37Å |
| 109 | T | 94.2 | Very high | 96.1 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 36% | 0.356 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -94.3 | -2.1 | -176.8 | 56.9 | 0 | 0 | 0 | 0 | 113.8 | E105 A106 S107 K111 | E105-T109 WeakPolarHBondContact O-CB 3.48Å; E105-T109 WeakPolarHBondContact O-CG2 3.43Å; E105-T109 PolarHBondContact O-N 3.19Å; E105-T109 PolarHBondContact O-OG1 2.93Å; A106-T109 PolarHBondContact O-N 3.2Å; A106-T109 PolarHBondContact O-OG1 2.94Å; S107-T109 VanDerWaalsContact C-N 3.32Å; S107-T109 PolarHBondContact O-N 3.42Å; T109-K111 PolarHBondContact O-N 2.94Å |
| 110 | G | 93.7 | Very high | 96.2 | Very high | 74 Ų | 74 | 48 Ų | 48 | 76% | 0.763 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 18 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A106 S107 | A106-G110 PolarHBondContact O-N 2.6Å; S107-G110 PolarHBondContact O-N 2.69Å |
| 111 | K | 92.8 | Very high | 96.2 | Very high | 122 Ų | 122 | 48 Ų | 48 | 53% | 0.53 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -91 | 162.3 | 172.3 | -67.7 | -178.1 | 175 | -178.1 | 0 | 109.6 | E36 A106 T109 | E36-K111 IonicContact OE1-NZ 3.85Å; E36-K111 PolarHBondContact OE1-NZ 3.44Å; A106-K111 CarbonylContact C-O 3.58Å; A106-K111 VanDerWaalsContact C-O 3.29Å; A106-K111 WeakPolarHBondContact CB-O 3.32Å; A106-K111 PolarHBondContact O-N 3.31Å; T109-K111 PolarHBondContact O-N 2.94Å |
| 112 | S | 91.2 | Very high | 96.2 | Very high | 113 Ų | 113 | 48.1 Ų | 48.1 | 79% | 0.79 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -99.7 | 145.3 | 165.8 | 56.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 113 | F | 95.6 | Very high | 96.2 | Very high | 25 Ų | 25 | 48.5 Ų | 48.5 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -102.8 | 118.1 | 166.7 | 178.3 | -98.4 | 0 | 0 | 0 | 108.5 | V38 F99 A102 F103 A106 F118 L206 L373 | V38-F113 HydrophobicContact CG1-CD2 4.03Å; V38-F113 HydrophobicContact CG1-CE2 4.09Å; F99-F113 AromaticContact CD1-CE1 3.93Å; F99-F113 HydrophobicContact CD1-CE1 3.93Å; F99-F113 HydrophobicContact CD1-CZ 4.03Å; F99-F113 HydrophobicContact CE1-CE1 4.39Å; F99-F113 HydrophobicContact CE1-CZ 4.24Å; A102-F113 HydrophobicContact CB-CD1 4.49Å; A102-F113 HydrophobicContact CB-CD2 3.73Å; A102-F113 HydrophobicContact CB-CE1 4.49Å; A102-F113 HydrophobicContact CB-CE2 3.72Å; A102-F113 HydrophobicContact CB-CG 4.12Å; A102-F113 HydrophobicContact CB-CZ 4.12Å; F103-F113 HydrophobicContact CD1-CB 4.26Å; F103-F113 HydrophobicContact CD1-CD1 4.31Å; F103-F113 HydrophobicContact CD2-CD1 4.49Å; F103-F113 HydrophobicContact CE1-CB 4.31Å; F103-F113 AromaticContact CE1-CD1 3.88Å; F103-F113 HydrophobicContact CE1-CD1 3.88Å; F103-F113 HydrophobicContact CE2-CD1 4.09Å; F103-F113 HydrophobicContact CE2-CE1 4.39Å; F103-F113 AromaticContact CZ-CD1 3.76Å; F103-F113 HydrophobicContact CZ-CD1 3.76Å; F103-F113 HydrophobicContact CZ-CE1 4.34Å; A106-F113 HydrophobicContact CB-CB 4Å; F113-F118 AromaticContact CE2-CE2 3.77Å; F113-F118 HydrophobicContact CE2-CE2 3.77Å; F113-F118 HydrophobicContact CE2-CZ 4.5Å; F113-F118 HydrophobicContact CZ-CE2 4.14Å; F113-L206 HydrophobicContact CE2-CD2 3.79Å; F113-L206 HydrophobicContact CZ-CD2 3.69Å; F113-L373 HydrophobicContact CE1-CD2 4.29Å |
| 114 | D | 95.1 | Very high | 96.2 | Very high | 75 Ų | 75 | 47.4 Ų | 47.4 | 40% | 0.401 | 27% | 0.267 | S | S | . | . | trans | -118 | 117.5 | 176.2 | -178.7 | 9 | 0 | 0 | 0 | 109.7 | K116 Q117 | D114-K116 PolarHBondContact O-N 2.97Å; D114-K116 VanDerWaalsContact OD1-CB 3.31Å; D114-K116 WeakPolarHBondContact OD1-CB 3.2Å; D114-K116 WeakPolarHBondContact OD1-CG 3.03Å; D114-K116 PolarHBondContact OD1-N 3.18Å; D114-Q117 VanDerWaalsContact O-CG 3.26Å; D114-Q117 WeakPolarHBondContact O-CG 3.31Å | ||
| 115 | L | 96.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -62.5 | -33.9 | 177.3 | -175.8 | 66.2 | 0 | 0 | 0 | 112 | F99 Q117 F118 V121 I150 T153 L373 | F99-L115 HydrophobicContact CE1-CD1 3.67Å; F99-L115 HydrophobicContact CZ-CD1 4.21Å; L115-Q117 PolarHBondContact O-N 2.79Å; L115-F118 PolarHBondContact O-N 2.79Å; L115-V121 HydrophobicContact CD1-CG2 3.9Å; L115-I150 HydrophobicContact CD2-CB 3.98Å; L115-I150 HydrophobicContact CD2-CD1 4.36Å; L115-I150 HydrophobicContact CD2-CG2 3.86Å; L115-T153 HydrophobicContact CD1-CG2 3.75Å; L115-T153 HydrophobicContact CD2-CG2 4.44Å; L115-T153 HydrophobicContact CG-CG2 3.94Å; L115-T153 PolarHBondContact O-OG1 3.04Å; L115-T153 VanDerWaalsContact O-OG1 3.1Å; L115-L373 HydrophobicContact CB-CD2 4.05Å; L115-L373 HydrophobicContact CD2-CB 3.9Å; L115-L373 HydrophobicContact CD2-CD1 4.21Å; L115-L373 HydrophobicContact CD2-CD2 4.14Å; L115-L373 HydrophobicContact CD2-CG 4.31Å |
| 116 | K | 96 | Very high | 96.3 | Very high | 150 Ų | 150 | 47.8 Ų | 47.8 | 65% | 0.652 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -65 | -15.1 | -171.6 | -61.4 | 173.1 | -177.2 | 174.4 | 0 | 113 | D114 F118 | D114-K116 PolarHBondContact O-N 2.97Å; D114-K116 VanDerWaalsContact OD1-CB 3.31Å; D114-K116 WeakPolarHBondContact OD1-CB 3.2Å; D114-K116 WeakPolarHBondContact OD1-CG 3.03Å; D114-K116 PolarHBondContact OD1-N 3.18Å; K116-F118 PolarHBondContact O-N 2.72Å |
| 117 | Q | 96.6 | Very high | 96.4 | Very high | 79 Ų | 79 | 47.3 Ų | 47.3 | 37% | 0.369 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -75.3 | -11.3 | 174.6 | 83.4 | -173.9 | -16.8 | 0 | 0 | 113.4 | D114 L115 R204 | D114-Q117 VanDerWaalsContact O-CG 3.26Å; D114-Q117 WeakPolarHBondContact O-CG 3.31Å; L115-Q117 PolarHBondContact O-N 2.79Å; Q117-R204 WeakPolarHBondContact O-CB 3.38Å; Q117-R204 WeakPolarHBondContact O-CD 3.44Å |
| 118 | F | 98.5 | Very high | 96.4 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | trans | -109.9 | 137 | -176.8 | -55.7 | -65.7 | 0 | 0 | 0 | 111.4 | F113 L115 K116 T153 R204 L206 | F113-F118 AromaticContact CE2-CE2 3.77Å; F113-F118 HydrophobicContact CE2-CE2 3.77Å; F113-F118 HydrophobicContact CE2-CZ 4.5Å; F113-F118 HydrophobicContact CZ-CE2 4.14Å; L115-F118 PolarHBondContact O-N 2.79Å; K116-F118 PolarHBondContact O-N 2.72Å; F118-T153 HydrophobicContact CB-CG2 4.26Å; F118-T153 WeakPolarHBondContact O-CB 3.03Å; F118-T153 VanDerWaalsContact O-CG2 3.28Å; F118-T153 WeakPolarHBondContact O-CG2 3.44Å; F118-T153 PolarHBondContact O-OG1 2.84Å; F118-R204 CarbonylContact C-O 3.45Å; F118-R204 WeakPolarHBondContact CA-O 3.49Å; F118-R204 HydrophobicContact CD1-CB 4.36Å; F118-L206 HydrophobicContact CD1-CB 3.92Å; F118-L206 HydrophobicContact CD2-CB 4.12Å; F118-L206 HydrophobicContact CD2-CD2 4.14Å; F118-L206 HydrophobicContact CE1-CB 4.06Å; F118-L206 HydrophobicContact CE1-CD1 4.17Å; F118-L206 HydrophobicContact CE2-CB 4.22Å; F118-L206 HydrophobicContact CE2-CD1 4.15Å; F118-L206 HydrophobicContact CE2-CD2 3.89Å; F118-L206 HydrophobicContact CE2-CG 4.33Å; F118-L206 HydrophobicContact CG-CB 3.95Å; F118-L206 HydrophobicContact CZ-CB 4.17Å; F118-L206 HydrophobicContact CZ-CD1 3.74Å; F118-L206 HydrophobicContact CZ-CD2 4.34Å; F118-L206 HydrophobicContact CZ-CG 4.32Å | ||
| 119 | D | 98.8 | Very high | 96.5 | Very high | 29 Ų | 29 | 40.6 Ų | 40.6 | 16% | 0.155 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -82.4 | -32.8 | 170.6 | -61.4 | -76.4 | 0 | 0 | 0 | 111.8 | I154 L203 R204 I330 R334 | D119-I154 PolarHBondContact O-N 2.97Å; D119-L203 HydrophobicContact CB-CD2 3.94Å; D119-L203 WeakPolarHBondContact OD2-CA 3.31Å; D119-R204 PolarHBondContact N-O 3.42Å; D119-R204 PolarHBondContact OD2-N 2.96Å; D119-I330 HydrophobicContact CB-CD1 3.97Å; D119-R334 IonicContact OD1-CZ 2.69Å; D119-R334 IonicContact OD1-NH1 2.6Å; D119-R334 PolarHBondContact OD1-NH1 3.2Å; D119-R334 IonicContact OD1-NH2 2.94Å; D119-R334 PolarHBondContact OD1-NH2 3.36Å |
| 120 | L | 98.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 132.7 | -175 | -178.2 | 75.5 | 0 | 0 | 0 | 111.7 | T122 I154 A156 R204 L205 L206 L326 I330 | L120-T122 HydrophobicContact CD2-CG2 4.08Å; L120-T122 HydrophobicContact CG-CG2 4.38Å; L120-I154 CarbonylContact C-O 3.18Å; L120-I154 VanDerWaalsContact CA-O 3.29Å; L120-I154 WeakPolarHBondContact CA-O 3.33Å; L120-I154 HydrophobicContact CD1-CB 4.04Å; L120-I154 HydrophobicContact CD1-CG2 4.14Å; L120-A156 HydrophobicContact CD1-CB 3.82Å; L120-R204 PolarHBondContact N-O 2.89Å; L120-L205 HydrophobicContact CB-CG 4.26Å; L120-L205 HydrophobicContact CD2-CD2 4.12Å; L120-L205 HydrophobicContact CD2-CG 4.25Å; L120-L205 CarbonylContact O-C 3.5Å; L120-L205 WeakPolarHBondContact O-CA 3.29Å; L120-L206 PolarHBondContact O-N 3.23Å; L120-L326 HydrophobicContact CD2-CD1 4.45Å; L120-L326 HydrophobicContact CD2-CD2 3.81Å; L120-I330 HydrophobicContact CB-CD1 4.39Å |
| 121 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129.3 | 166.3 | -169.4 | 0 | 0 | 0 | 0 | 108.8 | M95 L98 F99 L115 T153 I154 L155 A156 L206 | M95-V121 HydrophobicContact CE-CB 3.93Å; M95-V121 HydrophobicContact CE-CG1 3.49Å; M95-V121 VanDerWaalsContact CE-CG1 3.49Å; L98-V121 HydrophobicContact CD1-CG1 3.7Å; L98-V121 HydrophobicContact CD2-CG1 3.96Å; F99-V121 HydrophobicContact CE1-CG1 4.4Å; F99-V121 HydrophobicContact CE1-CG2 4.34Å; F99-V121 HydrophobicContact CZ-CB 4.32Å; F99-V121 HydrophobicContact CZ-CG1 3.95Å; F99-V121 HydrophobicContact CZ-CG2 4.14Å; L115-V121 HydrophobicContact CD1-CG2 3.9Å; V121-T153 HydrophobicContact CG2-CG2 3.83Å; V121-I154 PolarHBondContact N-O 3.34Å; V121-L155 HydrophobicContact CB-CD2 3.64Å; V121-L155 HydrophobicContact CG2-CD2 3.65Å; V121-A156 PolarHBondContact O-N 3.29Å; V121-L206 CarbonylContact C-O 3.46Å; V121-L206 VanDerWaalsContact CA-O 3.23Å; V121-L206 WeakPolarHBondContact CA-O 3.29Å; V121-L206 HydrophobicContact CB-CB 4.41Å; V121-L206 HydrophobicContact CG1-CB 4.11Å; V121-L206 HydrophobicContact CG1-CD2 4.03Å; V121-L206 HydrophobicContact CG1-CG 4.23Å; V121-L206 HydrophobicContact CG2-CB 4.08Å; V121-L206 HydrophobicContact CG2-CD2 4.24Å |
| 122 | T | 98.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 169.4 | -175 | -173 | 0 | 0 | 0 | 0 | 112.7 | L120 N126 L127 A156 L206 V207 R208 | L120-T122 HydrophobicContact CD2-CG2 4.08Å; L120-T122 HydrophobicContact CG-CG2 4.38Å; T122-N126 WeakPolarHBondContact OG1-CB 3.4Å; T122-N126 PolarHBondContact OG1-ND2 3.35Å; T122-L127 HydrophobicContact CG2-CD1 4.15Å; T122-L127 HydrophobicContact CG2-CD2 4.12Å; T122-L127 HydrophobicContact CG2-CG 3.97Å; T122-A156 WeakPolarHBondContact CA-O 3.43Å; T122-A156 PolarHBondContact OG1-O 3.47Å; T122-L206 PolarHBondContact N-O 2.8Å; T122-V207 HydrophobicContact CG2-CG2 4.21Å; T122-V207 CarbonylContact O-C 3.29Å; T122-V207 VanDerWaalsContact O-CA 3.26Å; T122-V207 WeakPolarHBondContact O-CA 3.43Å; T122-R208 PolarHBondContact O-N 2.73Å |
| 123 | D | 98.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 26.9 Ų | 26.9 | 4% | 0.043 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 146.8 | 163 | -58.3 | -62.5 | 0 | 0 | 0 | 111.7 | I125 N126 R158 R208 | D123-I125 HydrophobicContact CB-CG2 3.87Å; D123-I125 PolarHBondContact O-N 2.74Å; D123-N126 WeakPolarHBondContact O-CB 3.33Å; D123-N126 PolarHBondContact O-N 3Å; D123-N126 VanDerWaalsContact O-N 3.09Å; D123-R158 HydrophobicContact CB-CB 4.49Å; D123-R158 VanDerWaalsContact OD2-CB 3.31Å; D123-R158 WeakPolarHBondContact OD2-CB 3.49Å; D123-R158 PolarHBondContact OD2-N 2.98Å; D123-R208 IonicContact OD1-CZ 3.76Å; D123-R208 IonicContact OD1-NE 3.82Å; D123-R208 PolarHBondContact OD1-NE 2.83Å; D123-R208 IonicContact OD1-NH2 3Å; D123-R208 PolarHBondContact OD1-NH2 2.58Å; D123-R208 IonicContact OD2-NH2 2.71Å |
| 124 | C | 98.2 | Very high | 97.2 | Very high | 6 Ų | 6 | 25.7 Ų | 25.7 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60 | -32.2 | 177 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | N126 L127 Q128 V207 R208 V209 | C124-N126 VanDerWaalsContact C-N 3.29Å; C124-N126 PolarHBondContact O-N 3.45Å; C124-L127 WeakPolarHBondContact O-CB 3.13Å; C124-L127 PolarHBondContact O-N 3.27Å; C124-Q128 PolarHBondContact O-N 2.91Å; C124-Q128 VanDerWaalsContact O-N 3.15Å; C124-V207 HydrophobicContact CB-CG1 3.78Å; C124-R208 WeakPolarHBondContact CB-O 3Å; C124-R208 PolarHBondContact N-O 3.02Å; C124-V209 HydrophobicContact CB-CG2 4.08Å |
| 125 | I | 96.3 | Very high | 97.1 | Very high | 41 Ų | 41 | 25.8 Ų | 25.8 | 21% | 0.21 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.5 | -31.4 | 177.7 | -170.9 | 61.8 | 0 | 0 | 0 | 112.3 | D123 L127 Q128 K129 R158 | D123-I125 HydrophobicContact CB-CG2 3.87Å; D123-I125 PolarHBondContact O-N 2.74Å; I125-L127 VanDerWaalsContact C-N 3.34Å; I125-L127 PolarHBondContact O-N 3.32Å; I125-Q128 HydrophobicContact CD1-CB 4.4Å; I125-Q128 WeakPolarHBondContact O-CB 3.46Å; I125-Q128 PolarHBondContact O-N 2.87Å; I125-K129 HydrophobicContact CG1-CD 4.46Å; I125-K129 WeakPolarHBondContact O-CB 3.45Å; I125-K129 WeakPolarHBondContact O-CG 3.37Å; I125-K129 PolarHBondContact O-N 3.2Å; I125-R158 HydrophobicContact CG2-CG 4.1Å |
| 126 | N | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 173.8 | -70.6 | -19 | 0 | 0 | 0 | 110.7 | T122 D123 C124 Q128 K129 L130 I145 A156 R158 | T122-N126 WeakPolarHBondContact OG1-CB 3.4Å; T122-N126 PolarHBondContact OG1-ND2 3.35Å; D123-N126 WeakPolarHBondContact O-CB 3.33Å; D123-N126 PolarHBondContact O-N 3Å; D123-N126 VanDerWaalsContact O-N 3.09Å; C124-N126 VanDerWaalsContact C-N 3.29Å; C124-N126 PolarHBondContact O-N 3.45Å; N126-Q128 VanDerWaalsContact C-N 3.31Å; N126-Q128 PolarHBondContact O-N 3.34Å; N126-K129 WeakPolarHBondContact O-CB 3.12Å; N126-K129 PolarHBondContact O-N 2.9Å; N126-L130 VanDerWaalsContact O-CG 3.29Å; N126-L130 WeakPolarHBondContact O-CG 3.43Å; N126-L130 PolarHBondContact O-N 2.94Å; N126-I145 HydrophobicContact CB-CD1 3.84Å; N126-I145 HydrophobicContact CB-CG1 4.23Å; N126-A156 PolarHBondContact ND2-O 3.02Å; N126-R158 PolarHBondContact ND2-N 2.85Å; N126-R158 VanDerWaalsContact ND2-N 3.16Å |
| 127 | L | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.6 | -37.3 | 175.2 | -61.2 | 175.1 | 0 | 0 | 0 | 111.9 | T122 C124 I125 F131 Y198 L205 V207 F279 L326 | T122-L127 HydrophobicContact CG2-CD1 4.15Å; T122-L127 HydrophobicContact CG2-CD2 4.12Å; T122-L127 HydrophobicContact CG2-CG 3.97Å; C124-L127 WeakPolarHBondContact O-CB 3.13Å; C124-L127 PolarHBondContact O-N 3.27Å; I125-L127 VanDerWaalsContact C-N 3.34Å; I125-L127 PolarHBondContact O-N 3.32Å; L127-F131 VanDerWaalsContact O-CB 3.29Å; L127-F131 WeakPolarHBondContact O-CB 3.38Å; L127-F131 PolarHBondContact O-N 2.95Å; L127-Y198 VanDerWaalsContact CD1-OH 3.23Å; L127-Y198 WeakPolarHBondContact CD1-OH 3.47Å; L127-L205 HydrophobicContact CD1-CD2 4.19Å; L127-L205 HydrophobicContact CD2-CD2 4.22Å; L127-V207 HydrophobicContact CD1-CG1 4.21Å; L127-V207 HydrophobicContact CD1-CG2 4.04Å; L127-F279 HydrophobicContact CB-CB 4.11Å; L127-F279 HydrophobicContact CB-CD1 4.02Å; L127-F279 HydrophobicContact CB-CD2 3.88Å; L127-F279 HydrophobicContact CB-CE1 4.42Å; L127-F279 HydrophobicContact CB-CE2 4.32Å; L127-F279 HydrophobicContact CB-CG 3.74Å; L127-F279 HydrophobicContact CD1-CB 3.99Å; L127-F279 HydrophobicContact CD1-CD1 3.86Å; L127-F279 HydrophobicContact CD1-CG 4.06Å; L127-F279 HydrophobicContact CG-CD1 4.46Å; L127-L326 HydrophobicContact CD2-CD1 4.22Å; L127-L326 HydrophobicContact CD2-CD2 4.43Å |
| 128 | Q | 96 | Very high | 93.5 | Very high | 29 Ų | 29 | 29.9 Ų | 29.9 | 14% | 0.136 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.8 | -40 | 173.6 | -66.9 | 175.6 | 67 | 0 | 0 | 112.6 | C124 I125 N126 F131 T132 | C124-Q128 PolarHBondContact O-N 2.91Å; C124-Q128 VanDerWaalsContact O-N 3.15Å; I125-Q128 HydrophobicContact CD1-CB 4.4Å; I125-Q128 WeakPolarHBondContact O-CB 3.46Å; I125-Q128 PolarHBondContact O-N 2.87Å; N126-Q128 VanDerWaalsContact C-N 3.31Å; N126-Q128 PolarHBondContact O-N 3.34Å; Q128-F131 PolarHBondContact O-N 3.46Å; Q128-T132 PolarHBondContact O-N 3.28Å; Q128-T132 PolarHBondContact O-OG1 3.39Å |
| 129 | K | 95.9 | Very high | 91.8 | Very high | 22 Ų | 22 | 30.6 Ų | 30.6 | 10% | 0.096 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.3 | -47.7 | 173.9 | -79.2 | 168.1 | 158 | -176.7 | 0 | 111.3 | I125 N126 F131 T132 F133 F143 E160 | I125-K129 HydrophobicContact CG1-CD 4.46Å; I125-K129 WeakPolarHBondContact O-CB 3.45Å; I125-K129 WeakPolarHBondContact O-CG 3.37Å; I125-K129 PolarHBondContact O-N 3.2Å; N126-K129 WeakPolarHBondContact O-CB 3.12Å; N126-K129 PolarHBondContact O-N 2.9Å; K129-F131 VanDerWaalsContact C-N 3.33Å; K129-F131 PolarHBondContact O-N 2.93Å; K129-T132 PolarHBondContact O-N 2.89Å; K129-F133 PolarHBondContact O-N 3.46Å; K129-F143 HydrophobicContact CB-CB 4.18Å; K129-F143 HydrophobicContact CB-CD1 3.68Å; K129-F143 HydrophobicContact CB-CE1 4.28Å; K129-F143 HydrophobicContact CB-CG 4.02Å; K129-F143 HydrophobicContact CD-CB 3.64Å; K129-F143 HydrophobicContact CD-CG 4.36Å; K129-F143 HydrophobicContact CG-CB 4.04Å; K129-F143 HydrophobicContact CG-CD1 4.31Å; K129-F143 HydrophobicContact CG-CG 4.43Å; K129-E160 IonicContact NZ-OE1 2.77Å; K129-E160 PolarHBondContact NZ-OE1 2.99Å; K129-E160 IonicContact NZ-OE2 2.98Å; K129-E160 PolarHBondContact NZ-OE2 3.47Å |
| 130 | L | 97.5 | Very high | 90.4 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.3 | -39.6 | 175.2 | -66.3 | 178.9 | 0 | 0 | 0 | 112 | N126 F133 C134 F143 I145 L325 L326 I352 | N126-L130 VanDerWaalsContact O-CG 3.29Å; N126-L130 WeakPolarHBondContact O-CG 3.43Å; N126-L130 PolarHBondContact O-N 2.94Å; L130-F133 PolarHBondContact O-N 2.97Å; L130-C134 WeakPolarHBondContact O-CB 3.4Å; L130-C134 PolarHBondContact O-N 3.47Å; L130-C134 PolarHBondContact O-SG 3.23Å; L130-C134 VanDerWaalsContact O-SG 3.35Å; L130-F143 HydrophobicContact CD2-CE2 4.16Å; L130-F143 HydrophobicContact CD2-CZ 3.8Å; L130-I145 HydrophobicContact CD1-CD1 4.47Å; L130-I145 HydrophobicContact CD2-CD1 3.85Å; L130-I145 HydrophobicContact CG-CD1 3.95Å; L130-L325 HydrophobicContact CB-CD2 4.47Å; L130-L325 HydrophobicContact CD2-CD2 3.86Å; L130-L326 HydrophobicContact CD1-CD2 3.68Å; L130-I352 HydrophobicContact CD2-CD1 4.22Å |
| 131 | F | 96.3 | Very high | 89.9 | Confident | 10 Ų | 10 | 36.3 Ų | 36.3 | 4% | 0.044 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 175.3 | -174.7 | -84 | 0 | 0 | 0 | 112.3 | L127 Q128 K129 F133 C134 K135 W274 P275 F279 P315 T318 V322 | L127-F131 VanDerWaalsContact O-CB 3.29Å; L127-F131 WeakPolarHBondContact O-CB 3.38Å; L127-F131 PolarHBondContact O-N 2.95Å; Q128-F131 PolarHBondContact O-N 3.46Å; K129-F131 VanDerWaalsContact C-N 3.33Å; K129-F131 PolarHBondContact O-N 2.93Å; F131-F133 PolarHBondContact O-N 3.34Å; F131-C134 PolarHBondContact O-N 3.12Å; F131-K135 PolarHBondContact O-N 3.34Å; F131-W274 HydrophobicContact CE2-CE3 4.05Å; F131-W274 AromaticContact CE2-CZ3 3.69Å; F131-W274 HydrophobicContact CE2-CZ3 3.69Å; F131-W274 AromaticContact CZ-CE3 3.9Å; F131-W274 HydrophobicContact CZ-CE3 3.9Å; F131-W274 HydrophobicContact CZ-CZ3 4.01Å; F131-P275 HydrophobicContact CB-CB 4.29Å; F131-P275 HydrophobicContact CD1-CB 3.66Å; F131-P275 HydrophobicContact CD1-CG 3.73Å; F131-P275 HydrophobicContact CD2-CB 4.07Å; F131-P275 HydrophobicContact CE1-CB 3.88Å; F131-P275 HydrophobicContact CE1-CG 3.77Å; F131-P275 HydrophobicContact CE2-CB 4.27Å; F131-P275 HydrophobicContact CG-CB 3.75Å; F131-P275 HydrophobicContact CG-CG 4.33Å; F131-P275 HydrophobicContact CZ-CB 4.15Å; F131-P275 HydrophobicContact CZ-CG 4.38Å; F131-F279 HydrophobicContact CB-CE2 3.94Å; F131-F279 AromaticContact CD2-CE2 3.8Å; F131-F279 HydrophobicContact CD2-CE2 3.8Å; F131-F279 HydrophobicContact CD2-CZ 4.11Å; F131-F279 HydrophobicContact CG-CE2 4.16Å; F131-P315 HydrophobicContact CE2-CB 4.32Å; F131-P315 HydrophobicContact CE2-CG 4.3Å; F131-P315 HydrophobicContact CZ-CB 3.64Å; F131-P315 HydrophobicContact CZ-CG 3.67Å; F131-T318 HydrophobicContact CD1-CG2 4.04Å; F131-T318 HydrophobicContact CD2-CG2 3.74Å; F131-T318 HydrophobicContact CE1-CG2 3.93Å; F131-T318 HydrophobicContact CE2-CG2 3.62Å; F131-T318 HydrophobicContact CG-CG2 3.96Å; F131-T318 HydrophobicContact CZ-CG2 3.74Å; F131-T318 WeakPolarHBondContact O-CG2 3.13Å; F131-V322 HydrophobicContact CB-CG2 4.01Å; F131-V322 HydrophobicContact CD2-CG2 4.04Å; F131-V322 HydrophobicContact CG-CG2 4.42Å |
| 132 | T | 94.6 | Very high | 89.6 | Confident | 60 Ų | 60 | 40.8 Ų | 40.8 | 37% | 0.368 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.6 | -44.9 | 175.7 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | Q128 K129 K135 A139 W346 | Q128-T132 PolarHBondContact O-N 3.28Å; Q128-T132 PolarHBondContact O-OG1 3.39Å; K129-T132 PolarHBondContact O-N 2.89Å; T132-K135 WeakPolarHBondContact O-CB 3.41Å; T132-K135 PolarHBondContact O-N 3.14Å; T132-A139 HydrophobicContact CG2-CB 3.94Å; T132-W346 HydrophobicContact CG2-CH2 4.14Å; T132-W346 HydrophobicContact CG2-CZ3 4.2Å |
| 133 | F | 95.7 | Very high | 89.5 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.8 | -49.6 | 172 | 163.1 | -108.8 | 0 | 0 | 0 | 112.2 | L20 L23 K129 L130 F131 K135 G136 F143 L325 W346 I352 | L20-F133 HydrophobicContact CB-CE2 4.18Å; L20-F133 HydrophobicContact CB-CZ 3.88Å; L20-F133 HydrophobicContact CD1-CE1 4.18Å; L20-F133 HydrophobicContact CD1-CZ 4.2Å; L23-F133 HydrophobicContact CD1-CE1 3.88Å; K129-F133 PolarHBondContact O-N 3.46Å; L130-F133 PolarHBondContact O-N 2.97Å; F131-F133 PolarHBondContact O-N 3.34Å; F133-K135 PolarHBondContact O-N 2.87Å; F133-K135 VanDerWaalsContact O-N 3.15Å; F133-G136 PolarHBondContact O-N 3.48Å; F133-F143 HydrophobicContact CB-CE1 3.96Å; F133-F143 HydrophobicContact CB-CZ 4.44Å; F133-L325 HydrophobicContact CD1-CD2 3.89Å; F133-L325 HydrophobicContact CE1-CD2 4.02Å; F133-W346 HydrophobicContact CB-CD2 4.13Å; F133-W346 HydrophobicContact CB-CE3 4.33Å; F133-W346 HydrophobicContact CB-CH2 4.48Å; F133-W346 HydrophobicContact CB-CZ2 4.32Å; F133-W346 HydrophobicContact CB-CZ3 4.48Å; F133-W346 AromaticContact CD2-CD1 3.63Å; F133-W346 HydrophobicContact CD2-CD2 4.15Å; F133-W346 AromaticContact CD2-CE2 3.66Å; F133-W346 HydrophobicContact CD2-CG 4.13Å; F133-W346 HydrophobicContact CD2-CZ2 4.21Å; F133-W346 AromaticContact CD2-NE1 3.36Å; F133-W346 AromaticContact CE2-NE1 3.91Å; F133-I352 HydrophobicContact CD1-CD1 3.46Å; F133-I352 VanDerWaalsContact CD1-CD1 3.46Å; F133-I352 HydrophobicContact CD1-CG1 3.93Å; F133-I352 HydrophobicContact CD2-CG1 4.18Å; F133-I352 HydrophobicContact CE1-CD1 3.45Å; F133-I352 VanDerWaalsContact CE1-CD1 3.45Å; F133-I352 HydrophobicContact CE1-CG1 3.74Å; F133-I352 HydrophobicContact CE2-CG1 4Å; F133-I352 HydrophobicContact CG-CD1 4.03Å; F133-I352 HydrophobicContact CG-CG1 4.13Å; F133-I352 HydrophobicContact CZ-CD1 4.04Å; F133-I352 HydrophobicContact CZ-CG1 3.77Å |
| 134 | C | 96.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -23.8 | -177.1 | -78.4 | 0 | 0 | 0 | 0 | 113.7 | L130 F131 G136 T318 K321 V322 | L130-C134 WeakPolarHBondContact O-CB 3.4Å; L130-C134 PolarHBondContact O-N 3.47Å; L130-C134 PolarHBondContact O-SG 3.23Å; L130-C134 VanDerWaalsContact O-SG 3.35Å; F131-C134 PolarHBondContact O-N 3.12Å; C134-G136 VanDerWaalsContact C-N 3.29Å; C134-G136 PolarHBondContact O-N 2.89Å; C134-T318 HydrophobicContact CB-CG2 3.84Å; C134-K321 HydrophobicContact CB-CB 3.83Å; C134-K321 HydrophobicContact CB-CD 4.42Å; C134-K321 WeakPolarHBondContact O-CD 3.3Å; C134-K321 PolarHBondContact O-NZ 3.09Å; C134-V322 HydrophobicContact CB-CG2 3.79Å |
| 135 | K | 92.9 | Very high | 89.4 | Confident | 78 Ų | 78 | 40.7 Ų | 40.7 | 34% | 0.339 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64 | -35.5 | 175.5 | -168.8 | 179.6 | 177.1 | -170.5 | 0 | 111.2 | F131 T132 F133 E137 T318 | F131-K135 PolarHBondContact O-N 3.34Å; T132-K135 WeakPolarHBondContact O-CB 3.41Å; T132-K135 PolarHBondContact O-N 3.14Å; F133-K135 PolarHBondContact O-N 2.87Å; F133-K135 VanDerWaalsContact O-N 3.15Å; K135-E137 PolarHBondContact O-N 3.16Å; K135-T318 HydrophobicContact CB-CG2 4.12Å |
| 136 | G | 84.5 | Confident | 89.5 | Confident | 14 Ų | 14 | 39.3 Ų | 39.3 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | trans | 72.4 | -28.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | F133 C134 Q350 | F133-G136 PolarHBondContact O-N 3.48Å; C134-G136 VanDerWaalsContact C-N 3.29Å; C134-G136 PolarHBondContact O-N 2.89Å; G136-Q350 PolarHBondContact O-NE2 2.99Å | ||
| 137 | E | 69.1 | Low | 89.5 | Confident | 144 Ų | 144 | 39.5 Ų | 39.5 | 67% | 0.673 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -83.7 | 121.8 | 178.9 | -66 | 170.8 | -175.4 | 0 | 0 | 110.7 | K135 A139 | K135-E137 PolarHBondContact O-N 3.16Å; E137-A139 PolarHBondContact O-N 2.85Å |
| 138 | D | 61 | Low | 89.4 | Confident | 164 Ų | 164 | 39.8 Ų | 39.8 | 88% | 0.877 | 22% | 0.218 | S | C | * | . | S | Bend | trans | 49.1 | 16.8 | 169 | -58.8 | -32.1 | 0 | 0 | 0 | 116.6 | C140 | D138-C140 VanDerWaalsContact C-N 3.29Å; D138-C140 PolarHBondContact O-N 3.4Å |
| 139 | A | 62.6 | Low | 89.4 | Confident | 22 Ų | 22 | 39.4 Ų | 39.4 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | trans | -76.6 | 82.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | T132 E137 G141 W346 | T132-A139 HydrophobicContact CG2-CB 3.94Å; E137-A139 PolarHBondContact O-N 2.85Å; A139-G141 PolarHBondContact O-N 3.24Å; A139-W346 HydrophobicContact CB-CH2 3.83Å; A139-W346 HydrophobicContact CB-CZ2 4.27Å; A139-W346 VanDerWaalsContact O-CH2 3.28Å; A139-W346 WeakPolarHBondContact O-CH2 3.19Å; A139-W346 WeakPolarHBondContact O-CZ2 3.38Å | ||
| 140 | C | 70.6 | Confident | 89.5 | Confident | 132 Ų | 132 | 38.5 Ų | 38.5 | 89% | 0.892 | 21% | 0.212 | S | C | * | . | trans | -68.1 | 107.9 | 164.2 | -66.3 | 0 | 0 | 0 | 0 | 107.5 | D138 | D138-C140 VanDerWaalsContact C-N 3.29Å; D138-C140 PolarHBondContact O-N 3.4Å | ||
| 141 | G | 86.8 | Confident | 89.4 | Confident | 20 Ų | 20 | 39.6 Ų | 39.6 | 21% | 0.206 | 23% | 0.225 | C | C | . | . | trans | -164.5 | 167.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A139 R347 G348 | A139-G141 PolarHBondContact O-N 3.24Å; G141-R347 CarbonylContact O-C 3.59Å; G141-G348 WeakPolarHBondContact O-CA 3.45Å; G141-G348 PolarHBondContact O-N 2.95Å | ||
| 142 | F | 93.2 | Very high | 89.4 | Confident | 95 Ų | 95 | 44.4 Ų | 44.4 | 42% | 0.417 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 151.8 | 171.4 | 49.8 | -94.4 | 0 | 0 | 0 | 108.6 | L3 W5 L6 W346 | L3-F142 HydrophobicContact CD1-CD1 4.39Å; L3-F142 HydrophobicContact CD2-CD1 3.68Å; L3-F142 HydrophobicContact CD2-CD2 3.95Å; L3-F142 HydrophobicContact CD2-CE1 3.78Å; L3-F142 HydrophobicContact CD2-CE2 4.05Å; L3-F142 HydrophobicContact CD2-CG 3.77Å; L3-F142 HydrophobicContact CD2-CZ 3.97Å; W5-F142 HydrophobicContact CH2-CD2 4.49Å; W5-F142 AromaticContact CZ2-CD2 3.79Å; W5-F142 HydrophobicContact CZ2-CD2 3.79Å; W5-F142 AromaticContact CZ2-CE2 3.79Å; W5-F142 HydrophobicContact CZ2-CE2 3.79Å; L6-F142 HydrophobicContact CD1-CB 4.22Å; F142-W346 CarbonylContact C-O 3.6Å; F142-W346 WeakPolarHBondContact CA-O 3Å; F142-W346 VanDerWaalsContact CB-O 3.26Å; F142-W346 WeakPolarHBondContact CB-O 3.45Å |
| 143 | F | 96.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 160.6 | 166.8 | 61.2 | -107.6 | 0 | 0 | 0 | 110.1 | K129 L130 F133 I145 L344 W346 I352 | K129-F143 HydrophobicContact CB-CB 4.18Å; K129-F143 HydrophobicContact CB-CD1 3.68Å; K129-F143 HydrophobicContact CB-CE1 4.28Å; K129-F143 HydrophobicContact CB-CG 4.02Å; K129-F143 HydrophobicContact CD-CB 3.64Å; K129-F143 HydrophobicContact CD-CG 4.36Å; K129-F143 HydrophobicContact CG-CB 4.04Å; K129-F143 HydrophobicContact CG-CD1 4.31Å; K129-F143 HydrophobicContact CG-CG 4.43Å; L130-F143 HydrophobicContact CD2-CE2 4.16Å; L130-F143 HydrophobicContact CD2-CZ 3.8Å; F133-F143 HydrophobicContact CB-CE1 3.96Å; F133-F143 HydrophobicContact CB-CZ 4.44Å; F143-I145 HydrophobicContact CD2-CD1 3.85Å; F143-I145 HydrophobicContact CD2-CG1 3.85Å; F143-I145 HydrophobicContact CE2-CD1 3.89Å; F143-I145 HydrophobicContact CE2-CG1 4.28Å; F143-L344 HydrophobicContact CE2-CB 4.32Å; F143-W346 HydrophobicContact CD1-CB 3.86Å; F143-W346 HydrophobicContact CD1-CD2 4.16Å; F143-W346 AromaticContact CD1-CE3 3.43Å; F143-W346 HydrophobicContact CD1-CE3 3.43Å; F143-W346 VanDerWaalsContact CD1-CE3 3.43Å; F143-W346 HydrophobicContact CD1-CG 4.38Å; F143-W346 HydrophobicContact CD1-CZ3 4.28Å; F143-W346 HydrophobicContact CD2-CB 4.16Å; F143-W346 HydrophobicContact CE1-CB 3.53Å; F143-W346 AromaticContact CE1-CD2 3.84Å; F143-W346 HydrophobicContact CE1-CD2 3.84Å; F143-W346 AromaticContact CE1-CE3 3.47Å; F143-W346 HydrophobicContact CE1-CE3 3.47Å; F143-W346 VanDerWaalsContact CE1-CE3 3.47Å; F143-W346 AromaticContact CE1-CG 3.91Å; F143-W346 HydrophobicContact CE1-CG 3.91Å; F143-W346 HydrophobicContact CE1-CZ3 4.37Å; F143-W346 HydrophobicContact CE2-CB 3.84Å; F143-W346 HydrophobicContact CG-CB 4.15Å; F143-W346 HydrophobicContact CG-CE3 4.49Å; F143-W346 HydrophobicContact CZ-CB 3.5Å; F143-W346 VanDerWaalsContact CZ-CB 3.5Å; F143-W346 HydrophobicContact CZ-CG 4.21Å; F143-W346 PolarHBondContact N-O 3.23Å; F143-W346 VanDerWaalsContact N-O 3.1Å; F143-W346 PolarHBondContact O-N 3.37Å; F143-I352 HydrophobicContact CE2-CD1 4.43Å; F143-I352 HydrophobicContact CZ-CD1 3.8Å; F143-I352 HydrophobicContact CZ-CG1 4.05Å |
| 144 | R | 97.1 | Very high | 89.7 | Confident | 12 Ų | 12 | 41.5 Ų | 41.5 | 5% | 0.045 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 134.6 | 160.9 | 176.2 | 177.4 | 166.6 | 169.3 | -1.3 | 109.2 | W5 L6 D8 D146 V159 L344 V345 | W5-R144 HydrophobicContact CZ3-CB 4.02Å; W5-R144 PolarHBondContact O-NH1 3.42Å; L6-R144 HydrophobicContact CD2-CB 3.83Å; L6-R144 WeakPolarHBondContact O-CD 3.49Å; D8-R144 PolarHBondContact O-NH1 3.29Å; D8-R144 PolarHBondContact O-NH2 3.26Å; R144-D146 WeakPolarHBondContact CG-OD1 3.44Å; R144-D146 IonicContact CZ-OD1 3.82Å; R144-D146 IonicContact CZ-OD2 3.27Å; R144-D146 IonicContact NE-OD1 3.72Å; R144-D146 PolarHBondContact NE-OD1 3.36Å; R144-D146 IonicContact NE-OD2 3.49Å; R144-D146 IonicContact NH2-OD1 2.67Å; R144-D146 PolarHBondContact NH2-OD1 3.25Å; R144-D146 IonicContact NH2-OD2 2.75Å; R144-D146 PolarHBondContact NH2-OD2 2.91Å; R144-V159 HydrophobicContact CB-CB 4.03Å; R144-V159 HydrophobicContact CG-CB 3.84Å; R144-V159 HydrophobicContact CG-CG1 4.28Å; R144-V159 HydrophobicContact CG-CG2 4.09Å; R144-V159 PolarHBondContact O-N 2.67Å; R144-L344 CarbonylContact C-O 3.46Å; R144-L344 VanDerWaalsContact CA-O 3.26Å; R144-L344 WeakPolarHBondContact CA-O 3.49Å; R144-V345 HydrophobicContact CG-CG2 4.46Å |
| 145 | I | 98.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 115.4 | 173 | -59.5 | 167.8 | 0 | 0 | 0 | 107 | N126 L130 F143 L147 A156 T157 S343 L344 | N126-I145 HydrophobicContact CB-CD1 3.84Å; N126-I145 HydrophobicContact CB-CG1 4.23Å; L130-I145 HydrophobicContact CD1-CD1 4.47Å; L130-I145 HydrophobicContact CD2-CD1 3.85Å; L130-I145 HydrophobicContact CG-CD1 3.95Å; F143-I145 HydrophobicContact CD2-CD1 3.85Å; F143-I145 HydrophobicContact CD2-CG1 3.85Å; F143-I145 HydrophobicContact CE2-CD1 3.89Å; F143-I145 HydrophobicContact CE2-CG1 4.28Å; I145-L147 HydrophobicContact CG2-CD2 4.14Å; I145-A156 HydrophobicContact CG2-CB 3.78Å; I145-T157 WeakPolarHBondContact CA-O 3.33Å; I145-S343 CarbonylContact O-C 3.53Å; I145-S343 WeakPolarHBondContact O-CA 3.4Å; I145-L344 HydrophobicContact CB-CB 4.32Å; I145-L344 PolarHBondContact N-O 3.26Å; I145-L344 PolarHBondContact O-N 2.78Å |
| 146 | D | 98.1 | Very high | 90.1 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 6% | 0.064 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 138.3 | 178.4 | -76.9 | 9.1 | 0 | 0 | 0 | 109.7 | R144 A156 T157 V159 T342 S343 K357 | R144-D146 WeakPolarHBondContact CG-OD1 3.44Å; R144-D146 IonicContact CZ-OD1 3.82Å; R144-D146 IonicContact CZ-OD2 3.27Å; R144-D146 IonicContact NE-OD1 3.72Å; R144-D146 PolarHBondContact NE-OD1 3.36Å; R144-D146 IonicContact NE-OD2 3.49Å; R144-D146 IonicContact NH2-OD1 2.67Å; R144-D146 PolarHBondContact NH2-OD1 3.25Å; R144-D146 IonicContact NH2-OD2 2.75Å; R144-D146 PolarHBondContact NH2-OD2 2.91Å; D146-A156 CarbonylContact O-C 3.6Å; D146-A156 WeakPolarHBondContact O-CA 3.14Å; D146-T157 PolarHBondContact N-O 2.91Å; D146-T157 PolarHBondContact O-N 2.98Å; D146-V159 HydrophobicContact CB-CG2 4.03Å; D146-V159 VanDerWaalsContact CG-CG2 3.5Å; D146-T342 CarbonylContact C-O 3.38Å; D146-S343 VanDerWaalsContact CG-OG 3.26Å; D146-S343 VanDerWaalsContact OD1-CB 3.31Å; D146-S343 WeakPolarHBondContact OD1-CB 3.29Å; D146-S343 PolarHBondContact OD1-OG 2.66Å; D146-K357 HydrophobicContact CB-CD 4.22Å; D146-K357 WeakPolarHBondContact OD2-CD 3.32Å; D146-K357 VanDerWaalsContact OD2-CE 3.24Å; D146-K357 WeakPolarHBondContact OD2-CE 3.34Å; D146-K357 IonicContact OD2-NZ 2.95Å; D146-K357 PolarHBondContact OD2-NZ 2.96Å |
| 147 | L | 98.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 130.3 | -176.1 | -56.4 | 179.8 | 0 | 0 | 0 | 110.4 | I145 I154 L155 A156 I329 M333 K341 T342 L344 | I145-L147 HydrophobicContact CG2-CD2 4.14Å; L147-I154 HydrophobicContact CD2-CG2 4.33Å; L147-L155 VanDerWaalsContact CA-O 3.31Å; L147-L155 WeakPolarHBondContact CA-O 3.46Å; L147-A156 HydrophobicContact CD2-CB 3.71Å; L147-I329 HydrophobicContact CD1-CG2 3.58Å; L147-I329 HydrophobicContact CD2-CG2 4.21Å; L147-M333 HydrophobicContact CB-CE 3.95Å; L147-M333 HydrophobicContact CB-CG 4.4Å; L147-M333 HydrophobicContact CB-SD 3.91Å; L147-M333 HydrophobicContact CD1-CG 4.11Å; L147-M333 HydrophobicContact CD1-SD 4.04Å; L147-K341 WeakPolarHBondContact O-CA 3.45Å; L147-T342 PolarHBondContact N-O 3.22Å; L147-T342 PolarHBondContact O-N 2.92Å; L147-L344 HydrophobicContact CD1-CD1 4.04Å; L147-L344 HydrophobicContact CD1-CD2 3.79Å; L147-L344 HydrophobicContact CD1-CG 3.7Å; L147-L344 HydrophobicContact CD2-CD1 4.36Å; L147-L344 HydrophobicContact CG-CD1 4.47Å; L147-L344 HydrophobicContact CG-CG 4.13Å |
| 148 | E | 96.9 | Very high | 92 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 157.8 | 165.3 | 66 | 177.1 | -170 | 0 | 0 | 111 | L155 K341 G363 A364 | E148-L155 HydrophobicContact CG-CB 3.86Å; E148-L155 HydrophobicContact CG-CD1 4.16Å; E148-L155 HydrophobicContact CG-CG 4.21Å; E148-L155 PolarHBondContact N-O 3Å; E148-L155 PolarHBondContact O-N 3.47Å; E148-K341 HydrophobicContact CB-CG 4.04Å; E148-K341 WeakPolarHBondContact OE2-CE 3.42Å; E148-K341 IonicContact OE2-NZ 3.35Å; E148-G363 WeakPolarHBondContact OE2-CA 3.38Å; E148-A364 HydrophobicContact CG-CB 4.12Å; E148-A364 WeakPolarHBondContact OE1-CA 3.23Å; E148-A364 WeakPolarHBondContact OE1-CB 3.49Å; E148-A364 PolarHBondContact OE1-N 3.48Å; E148-A364 PolarHBondContact OE2-N 3.37Å |
| 149 | R | 96.8 | Very high | 93.7 | Very high | 22 Ų | 22 | 25.5 Ų | 25.5 | 8% | 0.083 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 141.3 | -178.3 | -177.4 | 165 | 69 | 75.2 | -6.6 | 110.8 | G151 T153 I154 M333 N336 E338 | R149-G151 WeakPolarHBondContact CD-O 3.43Å; R149-G151 WeakPolarHBondContact CG-O 3.44Å; R149-G151 PolarHBondContact NH1-O 3.34Å; R149-T153 WeakPolarHBondContact CA-O 3.48Å; R149-I154 HydrophobicContact CB-CD1 3.82Å; R149-I154 HydrophobicContact CG-CD1 3.64Å; R149-M333 HydrophobicContact CB-CE 4.45Å; R149-M333 PolarHBondContact NE-O 2.98Å; R149-M333 VanDerWaalsContact NE-O 3.13Å; R149-N336 PolarHBondContact NH2-O 2.95Å; R149-E338 HydrophobicContact CB-CG 4.3Å; R149-E338 HydrophobicContact CG-CG 4.27Å; R149-E338 IonicContact NH1-OE2 3.5Å; R149-E338 PolarHBondContact NH1-OE2 3.4Å; R149-E338 WeakPolarHBondContact O-CG 3.24Å |
| 150 | I | 96.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.015 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 108.3 | 170.6 | -55.7 | 179 | 0 | 0 | 0 | 107.3 | L115 E152 T153 L155 I365 K370 L373 R374 | L115-I150 HydrophobicContact CD2-CB 3.98Å; L115-I150 HydrophobicContact CD2-CD1 4.36Å; L115-I150 HydrophobicContact CD2-CG2 3.86Å; I150-E152 PolarHBondContact O-N 3.35Å; I150-T153 PolarHBondContact N-O 2.76Å; I150-T153 PolarHBondContact O-N 3.13Å; I150-L155 HydrophobicContact CD1-CD1 3.62Å; I150-L155 HydrophobicContact CD1-CG 4.23Å; I150-L155 HydrophobicContact CG1-CD1 4.33Å; I150-I365 HydrophobicContact CD1-CD1 3.43Å; I150-I365 VanDerWaalsContact CD1-CD1 3.43Å; I150-I365 HydrophobicContact CD1-CG1 4.39Å; I150-K370 HydrophobicContact CD1-CG 4Å; I150-K370 HydrophobicContact CG1-CG 4.14Å; I150-L373 HydrophobicContact CD1-CD1 4.09Å; I150-L373 HydrophobicContact CG2-CB 4.13Å; I150-R374 HydrophobicContact CG2-CG 3.67Å |
| 151 | G | 95.2 | Very high | 96.1 | Very high | 30 Ų | 30 | 20.8 Ų | 20.8 | 31% | 0.309 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | -122.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | R149 E338 | R149-G151 WeakPolarHBondContact CD-O 3.43Å; R149-G151 WeakPolarHBondContact CG-O 3.44Å; R149-G151 PolarHBondContact NH1-O 3.34Å; G151-E338 PolarHBondContact N-OE1 3.39Å; G151-E338 PolarHBondContact N-OE2 3.47Å |
| 152 | E | 96.6 | Very high | 96.2 | Very high | 110 Ų | 110 | 24.1 Ų | 24.1 | 51% | 0.514 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -6.9 | 178.3 | -67.3 | -57.3 | 130 | 0 | 0 | 114.2 | I150 R334 | I150-E152 PolarHBondContact O-N 3.35Å; E152-R334 VanDerWaalsContact O-CZ 3.25Å; E152-R334 PolarHBondContact O-NE 3.32Å; E152-R334 PolarHBondContact O-NH2 3.04Å; E152-R334 WeakPolarHBondContact OE2-CD 3.37Å; E152-R334 WeakPolarHBondContact OE2-CG 3.3Å; E152-R334 IonicContact OE2-CZ 3.19Å; E152-R334 IonicContact OE2-NE 3.49Å; E152-R334 PolarHBondContact OE2-NE 3.25Å |
| 153 | T | 98.4 | Very high | 96 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 133.9 | -174.5 | -54.5 | 0 | 0 | 0 | 0 | 111 | L115 F118 V121 R149 I150 L155 | L115-T153 HydrophobicContact CD1-CG2 3.75Å; L115-T153 HydrophobicContact CD2-CG2 4.44Å; L115-T153 HydrophobicContact CG-CG2 3.94Å; L115-T153 PolarHBondContact O-OG1 3.04Å; L115-T153 VanDerWaalsContact O-OG1 3.1Å; F118-T153 HydrophobicContact CB-CG2 4.26Å; F118-T153 WeakPolarHBondContact O-CB 3.03Å; F118-T153 VanDerWaalsContact O-CG2 3.28Å; F118-T153 WeakPolarHBondContact O-CG2 3.44Å; F118-T153 PolarHBondContact O-OG1 2.84Å; V121-T153 HydrophobicContact CG2-CG2 3.83Å; R149-T153 WeakPolarHBondContact CA-O 3.48Å; I150-T153 PolarHBondContact N-O 2.76Å; I150-T153 PolarHBondContact O-N 3.13Å; T153-L155 HydrophobicContact CG2-CD2 4.39Å |
| 154 | I | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 131.8 | 176.8 | -50.5 | -46.4 | 0 | 0 | 0 | 109.5 | D119 L120 V121 L147 R149 I330 M333 | D119-I154 PolarHBondContact O-N 2.97Å; L120-I154 CarbonylContact C-O 3.18Å; L120-I154 VanDerWaalsContact CA-O 3.29Å; L120-I154 WeakPolarHBondContact CA-O 3.33Å; L120-I154 HydrophobicContact CD1-CB 4.04Å; L120-I154 HydrophobicContact CD1-CG2 4.14Å; V121-I154 PolarHBondContact N-O 3.34Å; L147-I154 HydrophobicContact CD2-CG2 4.33Å; R149-I154 HydrophobicContact CB-CD1 3.82Å; R149-I154 HydrophobicContact CG-CD1 3.64Å; I154-I330 HydrophobicContact CG1-CB 4.45Å; I154-I330 HydrophobicContact CG1-CG1 4.12Å; I154-I330 HydrophobicContact CG1-CG2 4.44Å; I154-M333 HydrophobicContact CD1-CB 3.38Å; I154-M333 HydrophobicContact CD1-CG 4.19Å; I154-M333 HydrophobicContact CG1-CB 4.01Å; I154-M333 HydrophobicContact CG1-CG 4.46Å; I154-M333 HydrophobicContact CG2-CG 4.12Å |
| 155 | L | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 125.8 | 169.2 | -49.9 | -167.5 | 0 | 0 | 0 | 108.4 | M95 F99 V121 L147 E148 I150 T153 A364 I365 | M95-L155 HydrophobicContact CE-CB 4.33Å; M95-L155 HydrophobicContact SD-CB 4.25Å; F99-L155 HydrophobicContact CE2-CD1 4.07Å; F99-L155 HydrophobicContact CE2-CD2 4.35Å; F99-L155 HydrophobicContact CZ-CD1 4.21Å; F99-L155 HydrophobicContact CZ-CD2 3.72Å; V121-L155 HydrophobicContact CB-CD2 3.64Å; V121-L155 HydrophobicContact CG2-CD2 3.65Å; L147-L155 VanDerWaalsContact CA-O 3.31Å; L147-L155 WeakPolarHBondContact CA-O 3.46Å; E148-L155 HydrophobicContact CG-CB 3.86Å; E148-L155 HydrophobicContact CG-CD1 4.16Å; E148-L155 HydrophobicContact CG-CG 4.21Å; E148-L155 PolarHBondContact N-O 3Å; E148-L155 PolarHBondContact O-N 3.47Å; I150-L155 HydrophobicContact CD1-CD1 3.62Å; I150-L155 HydrophobicContact CD1-CG 4.23Å; I150-L155 HydrophobicContact CG1-CD1 4.33Å; T153-L155 HydrophobicContact CG2-CD2 4.39Å; L155-A364 HydrophobicContact CB-CB 4.12Å; L155-A364 HydrophobicContact CD1-CB 3.91Å; L155-I365 HydrophobicContact CD1-CD1 4.18Å; L155-I365 HydrophobicContact CD1-CG1 4.27Å; L155-I365 HydrophobicContact CD1-CG2 4.37Å |
| 156 | A | 98.6 | Very high | 94.8 | Very high | 7 Ų | 7 | 28.9 Ų | 28.9 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 96.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L120 V121 T122 N126 I145 D146 L147 | L120-A156 HydrophobicContact CD1-CB 3.82Å; V121-A156 PolarHBondContact O-N 3.29Å; T122-A156 WeakPolarHBondContact CA-O 3.43Å; T122-A156 PolarHBondContact OG1-O 3.47Å; N126-A156 PolarHBondContact ND2-O 3.02Å; I145-A156 HydrophobicContact CG2-CB 3.78Å; D146-A156 CarbonylContact O-C 3.6Å; D146-A156 WeakPolarHBondContact O-CA 3.14Å; L147-A156 HydrophobicContact CD2-CB 3.71Å |
| 157 | T | 98.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 29.5 Ų | 29.5 | 6% | 0.055 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 131.3 | -174.2 | -50.6 | 0 | 0 | 0 | 0 | 111.2 | P94 M95 I145 D146 A364 | P94-T157 HydrophobicContact CB-CG2 4.47Å; P94-T157 HydrophobicContact CG-CG2 3.41Å; P94-T157 VanDerWaalsContact CG-CG2 3.41Å; M95-T157 HydrophobicContact CG-CG2 4.23Å; M95-T157 HydrophobicContact SD-CG2 4.32Å; M95-T157 PolarHBondContact SD-OG1 3.17Å; I145-T157 WeakPolarHBondContact CA-O 3.33Å; D146-T157 PolarHBondContact N-O 2.91Å; D146-T157 PolarHBondContact O-N 2.98Å; T157-A364 WeakPolarHBondContact OG1-CB 3.3Å |
| 158 | R | 96.4 | Very high | 93.4 | Very high | 22 Ų | 22 | 36.2 Ų | 36.2 | 8% | 0.083 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 136.3 | 169.8 | -179.8 | -174.9 | -171.1 | -169.5 | -10.3 | 110.4 | Y83 D84 D123 I125 N126 E160 | Y83-R158 VanDerWaalsContact CE2-NH2 3.29Å; Y83-R158 PolarHBondContact O-NH1 3.13Å; Y83-R158 PolarHBondContact O-NH2 2.97Å; Y83-R158 VanDerWaalsContact O-NH2 3.14Å; D84-R158 WeakPolarHBondContact OD2-CD 3.5Å; D84-R158 IonicContact OD2-NE 3.04Å; D123-R158 HydrophobicContact CB-CB 4.49Å; D123-R158 VanDerWaalsContact OD2-CB 3.31Å; D123-R158 WeakPolarHBondContact OD2-CB 3.49Å; D123-R158 PolarHBondContact OD2-N 2.98Å; I125-R158 HydrophobicContact CG2-CG 4.1Å; N126-R158 PolarHBondContact ND2-N 2.85Å; N126-R158 VanDerWaalsContact ND2-N 3.16Å; R158-E160 HydrophobicContact CG-CG 4.14Å; R158-E160 IonicContact CZ-OE1 3.16Å; R158-E160 VanDerWaalsContact CZ-OE1 3.25Å; R158-E160 IonicContact NE-OE1 2.82Å; R158-E160 PolarHBondContact NE-OE1 3.14Å; R158-E160 IonicContact NH2-OE1 3.18Å; R158-E160 PolarHBondContact NH2-OE1 3.16Å |
| 159 | V | 95.8 | Very high | 92.7 | Very high | 25 Ų | 25 | 40.3 Ų | 40.3 | 15% | 0.152 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.6 | 168 | -173 | 0 | 0 | 0 | 0 | 108.8 | W5 R144 D146 | W5-V159 HydrophobicContact CE3-CG1 4.42Å; W5-V159 HydrophobicContact CZ3-CG1 4.12Å; R144-V159 HydrophobicContact CB-CB 4.03Å; R144-V159 HydrophobicContact CG-CB 3.84Å; R144-V159 HydrophobicContact CG-CG1 4.28Å; R144-V159 HydrophobicContact CG-CG2 4.09Å; R144-V159 PolarHBondContact O-N 2.67Å; D146-V159 HydrophobicContact CB-CG2 4.03Å; D146-V159 VanDerWaalsContact CG-CG2 3.5Å |
| 160 | E | 93.7 | Very high | 92.1 | Very high | 26 Ų | 26 | 43.8 Ų | 43.8 | 12% | 0.121 | 24% | 0.244 | C | C | . | . | trans | -120.6 | 157.5 | 176 | -55.8 | -62.1 | -177.8 | 0 | 0 | 110.6 | W5 Y83 K129 R158 Q162 | W5-E160 VanDerWaalsContact CZ3-C 3.46Å; Y83-E160 HydrophobicContact CD1-CB 4.23Å; Y83-E160 HydrophobicContact CD1-CG 3.79Å; Y83-E160 HydrophobicContact CE1-CB 4.41Å; Y83-E160 HydrophobicContact CE1-CG 3.75Å; Y83-E160 WeakPolarHBondContact CE1-OE1 3.35Å; K129-E160 IonicContact NZ-OE1 2.77Å; K129-E160 PolarHBondContact NZ-OE1 2.99Å; K129-E160 IonicContact NZ-OE2 2.98Å; K129-E160 PolarHBondContact NZ-OE2 3.47Å; R158-E160 HydrophobicContact CG-CG 4.14Å; R158-E160 IonicContact CZ-OE1 3.16Å; R158-E160 VanDerWaalsContact CZ-OE1 3.25Å; R158-E160 IonicContact NE-OE1 2.82Å; R158-E160 PolarHBondContact NE-OE1 3.14Å; R158-E160 IonicContact NH2-OE1 3.18Å; R158-E160 PolarHBondContact NH2-OE1 3.16Å; E160-Q162 PolarHBondContact O-N 3.02Å | ||
| 161 | G | 89.9 | Confident | 91.9 | Very high | 29 Ų | 29 | 44.2 Ų | 44.2 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -69.5 | -25 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 162 | Q | 89.4 | Confident | 91.9 | Very high | 90 Ų | 90 | 42.9 Ų | 42.9 | 42% | 0.421 | 23% | 0.232 | S | C | . | . | trans | -151.6 | 139.3 | 176.7 | -62.6 | -176.6 | -24.5 | 0 | 0 | 109.7 | M1 E160 V164 | M1-Q162 VanDerWaalsContact CE-CD 3.49Å; M1-Q162 HydrophobicContact CE-CG 3.94Å; E160-Q162 PolarHBondContact O-N 3.02Å; Q162-V164 VanDerWaalsContact C-N 3.34Å; Q162-V164 WeakPolarHBondContact CB-O 3.01Å; Q162-V164 PolarHBondContact OE1-O 3.19Å | ||
| 163 | D | 89.4 | Confident | 91.8 | Very high | 36 Ų | 36 | 39.7 Ų | 39.7 | 19% | 0.193 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -75 | -28.9 | 173.1 | -61.3 | -35.8 | 0 | 0 | 0 | 112.2 | V82 Y83 D84 H87 M88 | V82-D163 CarbonylContact C-O 3.47Å; Y83-D163 PolarHBondContact N-O 3.33Å; D84-D163 PolarHBondContact N-O 2.82Å; H87-D163 WeakPolarHBondContact CB-OD1 3.06Å; H87-D163 IonicContact CE1-OD1 3.94Å; H87-D163 IonicContact CE1-OD2 3.45Å; H87-D163 IonicContact CG-OD1 3.32Å; H87-D163 IonicContact ND1-OD1 2.74Å; H87-D163 PolarHBondContact ND1-OD1 3.48Å; H87-D163 IonicContact ND1-OD2 3.3Å; H87-D163 PolarHBondContact ND1-OD2 2.83Å; M88-D163 HydrophobicContact CB-CB 3.88Å; M88-D163 HydrophobicContact CG-CB 4.31Å |
| 164 | V | 89.6 | Confident | 91.6 | Very high | 47 Ų | 47 | 42.6 Ų | 42.6 | 29% | 0.285 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 123 | 177.6 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | Q80 F81 V82 M88 Q162 | Q80-V164 HydrophobicContact CB-CG1 3.7Å; Q80-V164 HydrophobicContact CG-CG1 3.96Å; F81-V164 CarbonylContact O-C 3.56Å; F81-V164 VanDerWaalsContact O-CA 3.3Å; F81-V164 WeakPolarHBondContact O-CA 3.45Å; V82-V164 HydrophobicContact CG2-CG2 4.36Å; M88-V164 HydrophobicContact SD-CG2 3.98Å; Q162-V164 VanDerWaalsContact C-N 3.34Å; Q162-V164 WeakPolarHBondContact CB-O 3.01Å; Q162-V164 PolarHBondContact OE1-O 3.19Å |
| 165 | I | 88 | Confident | 91.4 | Very high | 35 Ų | 35 | 43 Ų | 43 | 18% | 0.179 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 139.2 | -177.4 | -63.8 | 176.7 | 0 | 0 | 0 | 109.1 | Q80 F81 Y83 | Q80-I165 WeakPolarHBondContact CA-O 3.46Å; F81-I165 HydrophobicContact CD1-CB 3.96Å; F81-I165 HydrophobicContact CD1-CG2 4.33Å; F81-I165 WeakPolarHBondContact CD1-O 3.31Å; F81-I165 HydrophobicContact CE1-CB 3.4Å; F81-I165 HydrophobicContact CE1-CD1 4.41Å; F81-I165 HydrophobicContact CE1-CG1 4.42Å; F81-I165 HydrophobicContact CE1-CG2 3.52Å; F81-I165 HydrophobicContact CZ-CB 3.76Å; F81-I165 HydrophobicContact CZ-CD1 3.93Å; F81-I165 HydrophobicContact CZ-CG1 4.32Å; F81-I165 HydrophobicContact CZ-CG2 4.09Å; F81-I165 PolarHBondContact N-O 2.7Å; F81-I165 PolarHBondContact O-N 3.1Å; Y83-I165 HydrophobicContact CD1-CD1 3.35Å; Y83-I165 HydrophobicContact CD1-CG1 4.35Å; Y83-I165 HydrophobicContact CD2-CD1 4.24Å; Y83-I165 HydrophobicContact CE1-CD1 3.94Å; Y83-I165 HydrophobicContact CG-CD1 3.49Å; Y83-I165 VanDerWaalsContact CG-CD1 3.49Å; Y83-I165 HydrophobicContact CG-CG1 4.36Å |
| 166 | N | 88 | Confident | 91.4 | Very high | 92 Ų | 92 | 43 Ų | 43 | 49% | 0.492 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 126.8 | 166.1 | -66.1 | -32.1 | 0 | 0 | 0 | 108.9 | G79 Q80 D168 | G79-N166 WeakPolarHBondContact O-CA 3.47Å; Q80-N166 WeakPolarHBondContact CG-OD1 3.31Å; Q80-N166 PolarHBondContact NE2-OD1 2.8Å; N166-D168 PolarHBondContact O-N 3.01Å; N166-D168 VanDerWaalsContact O-N 3.13Å |
| 167 | I | 83.7 | Confident | 91.2 | Very high | 24 Ų | 24 | 44.6 Ų | 44.6 | 12% | 0.123 | 24% | 0.241 | C | C | . | . | trans | -77.6 | 101.8 | 175.9 | -53.2 | 179.9 | 0 | 0 | 0 | 107.9 | D77 G79 F81 F169 Q174 | D77-I167 HydrophobicContact CB-CD1 3.45Å; D77-I167 VanDerWaalsContact CB-CD1 3.45Å; D77-I167 HydrophobicContact CB-CG2 4.13Å; G79-I167 PolarHBondContact O-N 2.98Å; F81-I167 HydrophobicContact CB-CD1 4.3Å; F81-I167 HydrophobicContact CD1-CD1 3.71Å; F81-I167 HydrophobicContact CD1-CG1 3.36Å; F81-I167 HydrophobicContact CE1-CD1 4.38Å; F81-I167 HydrophobicContact CE1-CG1 3.8Å; F81-I167 HydrophobicContact CG-CD1 4.3Å; F81-I167 HydrophobicContact CG-CG1 4.38Å; I167-F169 WeakPolarHBondContact CG2-O 3.23Å; I167-Q174 HydrophobicContact CD1-CG 4.33Å | ||
| 168 | D | 82.6 | Confident | 91.1 | Very high | 145 Ų | 145 | 51.4 Ų | 51.4 | 78% | 0.775 | 27% | 0.272 | S | S | * | . | trans | -113.2 | 14.5 | 177.4 | 65.8 | -12.3 | 0 | 0 | 0 | 112.6 | N166 | N166-D168 PolarHBondContact O-N 3.01Å; N166-D168 VanDerWaalsContact O-N 3.13Å | ||
| 169 | F | 83 | Confident | 91.1 | Very high | 92 Ų | 92 | 52.6 Ų | 52.6 | 40% | 0.404 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -132.1 | 153.5 | 179.5 | 55 | -91.4 | 0 | 0 | 0 | 111.1 | I167 S171 | I167-F169 WeakPolarHBondContact CG2-O 3.23Å; F169-S171 PolarHBondContact O-N 3Å |
| 170 | P | 84.7 | Confident | 91.1 | Very high | 96 Ų | 96 | 51.5 Ų | 51.5 | 62% | 0.623 | 28% | 0.275 | S | S | * | . | trans | -59.9 | 109.1 | 176.4 | -24 | 34.6 | 0 | 0 | 0 | 112.4 | E76 | E76-P170 VanDerWaalsContact OE1-CA 3.28Å; E76-P170 WeakPolarHBondContact OE1-CA 3.29Å | ||
| 171 | S | 91.2 | Very high | 91.3 | Very high | 12 Ų | 12 | 50.8 Ų | 50.8 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | trans | -139.2 | 149.4 | 179.7 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | D77 F169 D173 | D77-S171 WeakPolarHBondContact CB-O 3.37Å; D77-S171 VanDerWaalsContact CG-O 3.31Å; D77-S171 PolarHBondContact N-O 3.43Å; D77-S171 VanDerWaalsContact OD2-C 3.31Å; D77-S171 WeakPolarHBondContact OD2-CB 3.28Å; D77-S171 PolarHBondContact OD2-OG 3.09Å; F169-S171 PolarHBondContact O-N 3Å; S171-D173 PolarHBondContact OG-N 3.25Å | ||
| 172 | F | 95.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | trans | -134.9 | 8.1 | 174.3 | -59.6 | -86.2 | 0 | 0 | 0 | 112.2 | L74 P75 E76 D77 Q174 S175 L176 T262 W290 N294 F296 | L74-F172 HydrophobicContact CB-CD1 4.31Å; P75-F172 VanDerWaalsContact O-CD1 3.31Å; P75-F172 WeakPolarHBondContact O-CD1 3.49Å; E76-F172 HydrophobicContact CB-CE1 3.93Å; E76-F172 HydrophobicContact CB-CZ 4.23Å; E76-F172 HydrophobicContact CG-CE1 4.38Å; E76-F172 HydrophobicContact CG-CZ 4.28Å; D77-F172 WeakPolarHBondContact OD2-CA 3.35Å; D77-F172 PolarHBondContact OD2-N 2.89Å; F172-Q174 VanDerWaalsContact C-N 3.32Å; F172-Q174 PolarHBondContact O-N 3.15Å; F172-S175 PolarHBondContact O-N 2.86Å; F172-L176 WeakPolarHBondContact O-CB 3.28Å; F172-L176 PolarHBondContact O-N 3.49Å; F172-T262 HydrophobicContact CB-CG2 4.02Å; F172-W290 AromaticContact CD2-CD2 3.7Å; F172-W290 HydrophobicContact CD2-CD2 3.7Å; F172-W290 AromaticContact CD2-CE2 3.77Å; F172-W290 AromaticContact CD2-CE3 3.94Å; F172-W290 HydrophobicContact CD2-CE3 3.94Å; F172-W290 HydrophobicContact CD2-CG 4.1Å; F172-W290 HydrophobicContact CD2-CH2 4.26Å; F172-W290 HydrophobicContact CD2-CZ2 4.06Å; F172-W290 HydrophobicContact CD2-CZ3 4.17Å; F172-W290 AromaticContact CE2-CD1 3.87Å; F172-W290 AromaticContact CE2-CD2 3.98Å; F172-W290 HydrophobicContact CE2-CD2 3.98Å; F172-W290 AromaticContact CE2-CE2 3.74Å; F172-W290 HydrophobicContact CE2-CG 4.06Å; F172-W290 HydrophobicContact CE2-CZ2 4.21Å; F172-W290 AromaticContact CE2-NE1 3.7Å; F172-N294 HydrophobicContact CE1-CB 3.76Å; F172-N294 HydrophobicContact CZ-CB 3.91Å; F172-N294 WeakPolarHBondContact CZ-OD1 3.13Å; F172-F296 HydrophobicContact CB-CE1 4.49Å; F172-F296 HydrophobicContact CB-CE2 4.07Å; F172-F296 HydrophobicContact CB-CZ 3.47Å; F172-F296 VanDerWaalsContact CB-CZ 3.47Å; F172-F296 AromaticContact CD1-CE2 3.91Å; F172-F296 HydrophobicContact CD1-CE2 3.91Å; F172-F296 HydrophobicContact CD1-CZ 4.14Å; F172-F296 HydrophobicContact CD2-CE2 4.45Å; F172-F296 HydrophobicContact CD2-CZ 4.07Å; F172-F296 AromaticContact CG-CE2 3.88Å; F172-F296 HydrophobicContact CG-CE2 3.88Å; F172-F296 AromaticContact CG-CZ 3.62Å; F172-F296 HydrophobicContact CG-CZ 3.62Å | ||
| 173 | D | 94.6 | Very high | 91.7 | Very high | 43 Ų | 43 | 47.5 Ų | 47.5 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | -176.6 | -80.2 | -5 | 0 | 0 | 0 | 111.5 | D77 S171 K177 S261 T262 | D77-D173 PolarHBondContact OD2-N 3.25Å; S171-D173 PolarHBondContact OG-N 3.25Å; D173-K177 WeakPolarHBondContact O-CB 3.41Å; D173-K177 WeakPolarHBondContact O-CG 3.36Å; D173-K177 PolarHBondContact O-N 3.2Å; D173-S261 VanDerWaalsContact OD1-CA 3.24Å; D173-S261 WeakPolarHBondContact OD1-CA 3.32Å; D173-S261 PolarHBondContact OD1-OG 2.98Å; D173-S261 PolarHBondContact OD2-OG 3.4Å; D173-T262 WeakPolarHBondContact OD1-CB 3.29Å; D173-T262 PolarHBondContact OD1-N 2.9Å; D173-T262 PolarHBondContact OD1-OG1 3.33Å |
| 174 | Q | 94.5 | Very high | 91.7 | Very high | 62 Ų | 62 | 47.1 Ų | 47.1 | 29% | 0.29 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.6 | -43.1 | 179.5 | -59.7 | -59.9 | -34.7 | 0 | 0 | 111.3 | D77 F81 I167 F172 L176 K177 Q178 | D77-Q174 HydrophobicContact CB-CB 4.44Å; D77-Q174 WeakPolarHBondContact OD1-CB 3.48Å; D77-Q174 PolarHBondContact OD1-N 2.86Å; D77-Q174 PolarHBondContact OD2-N 2.81Å; F81-Q174 HydrophobicContact CB-CG 4.44Å; I167-Q174 HydrophobicContact CD1-CG 4.33Å; F172-Q174 VanDerWaalsContact C-N 3.32Å; F172-Q174 PolarHBondContact O-N 3.15Å; Q174-L176 VanDerWaalsContact C-N 3.35Å; Q174-L176 PolarHBondContact O-N 3.06Å; Q174-K177 WeakPolarHBondContact O-CB 3.23Å; Q174-K177 PolarHBondContact O-N 3.19Å; Q174-Q178 VanDerWaalsContact O-CG 3.3Å; Q174-Q178 WeakPolarHBondContact O-CG 3.18Å; Q174-Q178 PolarHBondContact O-N 3.34Å |
| 175 | S | 95.4 | Very high | 91.6 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.7 | -38.4 | 178.2 | -61 | 0 | 0 | 0 | 0 | 112.1 | P75 D77 F172 T179 | P75-S175 WeakPolarHBondContact O-CB 3.5Å; P75-S175 PolarHBondContact O-OG 3.19Å; P75-S175 VanDerWaalsContact O-OG 3.04Å; D77-S175 WeakPolarHBondContact OD1-CB 3.29Å; D77-S175 PolarHBondContact OD1-N 3.27Å; D77-S175 PolarHBondContact OD1-OG 3.49Å; F172-S175 PolarHBondContact O-N 2.86Å; S175-T179 WeakPolarHBondContact O-CB 3.41Å; S175-T179 PolarHBondContact O-N 2.86Å; S175-T179 VanDerWaalsContact O-N 3.12Å; S175-T179 PolarHBondContact O-OG1 3.5Å |
| 176 | L | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.3 | -47.4 | 171.9 | -176.4 | 74.3 | 0 | 0 | 0 | 110.5 | W69 L74 F172 Q174 Q178 T179 C180 S261 T262 P299 | W69-L176 HydrophobicContact CE3-CD1 4.25Å; W69-L176 HydrophobicContact CZ3-CD1 4.16Å; L74-L176 HydrophobicContact CD1-CB 4.24Å; L74-L176 HydrophobicContact CD1-CD1 4.24Å; F172-L176 WeakPolarHBondContact O-CB 3.28Å; F172-L176 PolarHBondContact O-N 3.49Å; Q174-L176 VanDerWaalsContact C-N 3.35Å; Q174-L176 PolarHBondContact O-N 3.06Å; L176-Q178 VanDerWaalsContact C-N 3.34Å; L176-Q178 PolarHBondContact O-N 3.11Å; L176-T179 PolarHBondContact O-N 3.26Å; L176-T179 VanDerWaalsContact O-N 3.1Å; L176-C180 WeakPolarHBondContact O-CB 3.29Å; L176-C180 PolarHBondContact O-N 2.76Å; L176-S261 VanDerWaalsContact CD2-O 3.26Å; L176-S261 WeakPolarHBondContact CD2-O 3.49Å; L176-T262 HydrophobicContact CB-CG2 3.62Å; L176-T262 HydrophobicContact CD2-CG2 3.52Å; L176-T262 HydrophobicContact CG-CG2 4.08Å; L176-P299 HydrophobicContact CD1-CG 3.99Å |
| 177 | K | 95.5 | Very high | 91.7 | Very high | 41 Ų | 41 | 50.3 Ų | 50.3 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.9 | -47.8 | 177.2 | -79 | 175.7 | -168.3 | -154.2 | 0 | 111.4 | D173 Q174 T179 C180 C181 D212 S260 | D173-K177 WeakPolarHBondContact O-CB 3.41Å; D173-K177 WeakPolarHBondContact O-CG 3.36Å; D173-K177 PolarHBondContact O-N 3.2Å; Q174-K177 WeakPolarHBondContact O-CB 3.23Å; Q174-K177 PolarHBondContact O-N 3.19Å; K177-T179 VanDerWaalsContact C-N 3.26Å; K177-T179 PolarHBondContact O-N 3.5Å; K177-C180 PolarHBondContact O-N 3.16Å; K177-C181 WeakPolarHBondContact O-CA 3.2Å; K177-C181 WeakPolarHBondContact O-CB 3.28Å; K177-C181 PolarHBondContact O-N 2.82Å; K177-C181 PolarHBondContact O-SG 3.04Å; K177-D212 VanDerWaalsContact CE-CG 3.47Å; K177-D212 WeakPolarHBondContact CE-OD1 3.13Å; K177-D212 WeakPolarHBondContact CE-OD2 3.09Å; K177-D212 IonicContact NZ-OD1 3.43Å; K177-D212 PolarHBondContact NZ-OD1 2.8Å; K177-D212 IonicContact NZ-OD2 2.76Å; K177-D212 PolarHBondContact NZ-OD2 3.25Å; K177-S260 WeakPolarHBondContact CG-OG 3.28Å |
| 178 | Q | 94.9 | Very high | 92 | Very high | 151 Ų | 151 | 49.4 Ų | 49.4 | 71% | 0.706 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.1 | -33.3 | 177.7 | -71.5 | 173.9 | 4.2 | 0 | 0 | 113 | Q174 L176 | Q174-Q178 VanDerWaalsContact O-CG 3.3Å; Q174-Q178 WeakPolarHBondContact O-CG 3.18Å; Q174-Q178 PolarHBondContact O-N 3.34Å; L176-Q178 VanDerWaalsContact C-N 3.34Å; L176-Q178 PolarHBondContact O-N 3.11Å |
| 179 | T | 96.8 | Very high | 92.5 | Very high | 48 Ų | 48 | 44.6 Ų | 44.6 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -78.8 | -41.8 | -179.7 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | W69 L74 S175 L176 K177 | W69-T179 HydrophobicContact CB-CG2 4.11Å; W69-T179 HydrophobicContact CD2-CG2 3.63Å; W69-T179 HydrophobicContact CE3-CG2 4.15Å; W69-T179 HydrophobicContact CG-CG2 3.6Å; L74-T179 HydrophobicContact CD2-CG2 4.4Å; L74-T179 VanDerWaalsContact CD2-OG1 3.24Å; L74-T179 WeakPolarHBondContact CD2-OG1 3.39Å; S175-T179 WeakPolarHBondContact O-CB 3.41Å; S175-T179 PolarHBondContact O-N 2.86Å; S175-T179 VanDerWaalsContact O-N 3.12Å; S175-T179 PolarHBondContact O-OG1 3.5Å; L176-T179 PolarHBondContact O-N 3.26Å; L176-T179 VanDerWaalsContact O-N 3.1Å; K177-T179 VanDerWaalsContact C-N 3.26Å; K177-T179 PolarHBondContact O-N 3.5Å |
| 180 | C | 97 | Very high | 92.9 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -101.8 | -7.9 | -171 | -74.4 | 0 | 0 | 0 | 0 | 114.3 | F66 R67 L176 K177 | F66-C180 CarbonylContact C-O 3.58Å; F66-C180 VanDerWaalsContact CA-O 3.29Å; F66-C180 WeakPolarHBondContact CA-O 3.24Å; F66-C180 HydrophobicContact CD2-CB 4.12Å; F66-C180 WeakPolarHBondContact CD2-O 3.31Å; F66-C180 HydrophobicContact CE2-CB 3.83Å; R67-C180 PolarHBondContact N-O 2.9Å; L176-C180 WeakPolarHBondContact O-CB 3.29Å; L176-C180 PolarHBondContact O-N 2.76Å; K177-C180 PolarHBondContact O-N 3.16Å |
| 181 | C | 97 | Very high | 93.4 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 126.3 | -177.1 | -48 | 0 | 0 | 0 | 0 | 109.5 | K64 Q65 K177 C213 | K64-C181 HydrophobicContact CB-CB 3.97Å; K64-C181 HydrophobicContact CD-CB 4.1Å; Q65-C181 WeakPolarHBondContact O-CA 3.43Å; K177-C181 WeakPolarHBondContact O-CA 3.2Å; K177-C181 WeakPolarHBondContact O-CB 3.28Å; K177-C181 PolarHBondContact O-N 2.82Å; K177-C181 PolarHBondContact O-SG 3.04Å; C181-C213 HydrophobicContact CB-CB 4.01Å; C181-C213 VanDerWaalsContact SG-SG 3.67Å |
| 182 | A | 95.2 | Very high | 93.7 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 139.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K64 Q65 R67 L184 | K64-A182 CarbonylContact C-O 3.56Å; K64-A182 WeakPolarHBondContact CA-O 3.07Å; K64-A182 WeakPolarHBondContact CB-O 3.29Å; Q65-A182 PolarHBondContact N-O 3Å; Q65-A182 PolarHBondContact O-N 3.02Å; R67-A182 HydrophobicContact CG-CB 4.35Å; A182-L184 PolarHBondContact O-N 2.93Å |
| 183 | P | 92.8 | Very high | 93.9 | Very high | 45 Ų | 45 | 37.6 Ų | 37.6 | 29% | 0.292 | 20% | 0.201 | S | C | . | . | trans | -59.9 | 139.4 | 177.5 | 27.4 | -35.7 | 0 | 0 | 0 | 110.9 | Q185 D189 | P183-Q185 WeakPolarHBondContact CB-O 3.3Å; P183-D189 HydrophobicContact CB-CB 3.66Å; P183-D189 HydrophobicContact CG-CB 3.84Å; P183-D189 WeakPolarHBondContact CG-OD1 3.48Å | ||
| 184 | L | 88.7 | Confident | 94 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -67.2 | -41.2 | 171.5 | -73.4 | 170.2 | 0 | 0 | 0 | 111.1 | A62 Q65 A182 F216 L221 L224 | A62-L184 HydrophobicContact CB-CD1 4.49Å; Q65-L184 HydrophobicContact CB-CD2 3.96Å; Q65-L184 HydrophobicContact CB-CG 4.43Å; A182-L184 PolarHBondContact O-N 2.93Å; L184-F216 HydrophobicContact CD1-CE1 3.99Å; L184-F216 HydrophobicContact CD1-CE2 3.84Å; L184-F216 HydrophobicContact CD1-CZ 3.51Å; L184-F216 HydrophobicContact CD2-CE2 4.36Å; L184-F216 HydrophobicContact CG-CE2 4.24Å; L184-F216 HydrophobicContact CG-CZ 4.37Å; L184-L221 HydrophobicContact CD2-CD2 3.61Å; L184-L224 HydrophobicContact CD1-CD1 3.6Å |
| 185 | Q | 89.1 | Confident | 94.2 | Very high | 32 Ų | 32 | 33.8 Ų | 33.8 | 15% | 0.15 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -140.4 | 150.8 | 176.8 | -59.3 | -170.8 | -3.5 | 0 | 0 | 108.4 | P183 E187 L188 L224 G227 L229 | P183-Q185 WeakPolarHBondContact CB-O 3.3Å; Q185-E187 WeakPolarHBondContact CB-OE2 3.32Å; Q185-E187 PolarHBondContact O-N 2.9Å; Q185-L188 PolarHBondContact O-N 3.27Å; Q185-L224 PolarHBondContact NE2-O 2.76Å; Q185-G227 PolarHBondContact NE2-O 2.94Å; Q185-L229 HydrophobicContact CG-CD1 4.19Å; Q185-L229 HydrophobicContact CG-CG 4.5Å |
| 186 | L | 89.5 | Confident | 94.4 | Very high | 120 Ų | 120 | 33.7 Ų | 33.7 | 63% | 0.628 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -60.7 | -33.7 | -168.9 | -179.9 | 61.7 | 0 | 0 | 0 | 112.9 | L188 D189 | L186-L188 PolarHBondContact O-N 3.17Å; L186-D189 WeakPolarHBondContact O-CB 3.12Å; L186-D189 PolarHBondContact O-N 2.97Å |
| 187 | E | 88.2 | Confident | 94.5 | Very high | 90 Ų | 90 | 34.2 Ų | 34.2 | 42% | 0.421 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -65.6 | -26.5 | -179.8 | -57.7 | 77 | -167.7 | 0 | 0 | 111.8 | I58 Q185 L230 | I58-E187 HydrophobicContact CD1-CB 4.28Å; I58-E187 VanDerWaalsContact CD1-O 3.28Å; I58-E187 WeakPolarHBondContact CD1-O 3.5Å; Q185-E187 WeakPolarHBondContact CB-OE2 3.32Å; Q185-E187 PolarHBondContact O-N 2.9Å; E187-L230 HydrophobicContact CB-CD1 3.86Å; E187-L230 HydrophobicContact CG-CD1 3.96Å |
| 188 | L | 90.5 | Very high | 94.6 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -95.3 | 11.9 | 178.6 | -64.3 | -168.7 | 0 | 0 | 0 | 114.2 | N42 I58 A62 Q185 L186 G190 L229 | N42-L188 HydrophobicContact CB-CD2 4.21Å; N42-L188 PolarHBondContact ND2-O 3.36Å; I58-L188 HydrophobicContact CB-CD2 4.34Å; I58-L188 HydrophobicContact CD1-CD2 3.89Å; I58-L188 HydrophobicContact CG2-CD2 3.94Å; A62-L188 HydrophobicContact CB-CD1 3.56Å; Q185-L188 PolarHBondContact O-N 3.27Å; L186-L188 PolarHBondContact O-N 3.17Å; L188-G190 PolarHBondContact O-N 3.32Å; L188-L229 HydrophobicContact CD1-CD1 3.25Å; L188-L229 HydrophobicContact CG-CD1 4.04Å |
| 189 | D | 92.2 | Very high | 94.8 | Very high | 44 Ų | 44 | 26.7 Ų | 26.7 | 24% | 0.235 | 15% | 0.149 | C | C | . | . | trans | -77 | -5.7 | 179.3 | -171.9 | 42 | 0 | 0 | 0 | 113.7 | K45 K64 P183 L186 | K45-D189 WeakPolarHBondContact CE-OD2 3.38Å; K45-D189 IonicContact NZ-OD2 3.25Å; K45-D189 PolarHBondContact NZ-OD2 2.72Å; K64-D189 VanDerWaalsContact CE-OD1 3.3Å; K64-D189 WeakPolarHBondContact CE-OD1 3.27Å; K64-D189 PolarHBondContact NZ-O 3.46Å; K64-D189 IonicContact NZ-OD1 2.68Å; K64-D189 PolarHBondContact NZ-OD1 2.98Å; P183-D189 HydrophobicContact CB-CB 3.66Å; P183-D189 HydrophobicContact CG-CB 3.84Å; P183-D189 WeakPolarHBondContact CG-OD1 3.48Å; L186-D189 WeakPolarHBondContact O-CB 3.12Å; L186-D189 PolarHBondContact O-N 2.97Å | ||
| 190 | G | 92.5 | Very high | 94.9 | Very high | 14 Ų | 14 | 24.4 Ų | 24.4 | 14% | 0.144 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -71.1 | 164.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N42 L188 H192 | N42-G190 PolarHBondContact ND2-O 3.47Å; L188-G190 PolarHBondContact O-N 3.32Å; G190-H192 PolarHBondContact O-N 2.93Å |
| 191 | A | 95 | Very high | 94.9 | Very high | 31 Ų | 31 | 25.2 Ų | 25.2 | 26% | 0.256 | 14% | 0.144 | S | C | . | . | trans | -55.7 | 133.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N42 W43 V85 | N42-A191 VanDerWaalsContact CA-O 3.25Å; N42-A191 WeakPolarHBondContact CA-O 3.26Å; W43-A191 PolarHBondContact N-O 2.73Å; W43-A191 VanDerWaalsContact N-O 3.08Å; V85-A191 HydrophobicContact CG1-CB 3.88Å; V85-A191 HydrophobicContact CG2-CB 4.39Å | ||
| 192 | H | 97.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 3% | 0.032 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.9 | -178.7 | -177.2 | 63.3 | 0 | 0 | 0 | 110.9 | Y41 N42 G61 A62 P63 G190 V211 | Y41-H192 WeakPolarHBondContact O-CA 3.38Å; Y41-H192 PolarHBondContact O-ND1 3.45Å; Y41-H192 VanDerWaalsContact O-ND1 3.08Å; N42-H192 WeakPolarHBondContact ND2-CB 3.48Å; N42-H192 PolarHBondContact OD1-ND1 3.44Å; G61-H192 PolarHBondContact O-CE1 3.45Å; G61-H192 VanDerWaalsContact O-CE1 3.26Å; A62-H192 PolarHBondContact N-CE1 3.3Å; A62-H192 PolarHBondContact N-ND1 3.01Å; P63-H192 HydrophobicContact CB-CB 4.45Å; P63-H192 WeakPolarHBondContact CD-NE2 3.29Å; P63-H192 VanDerWaalsContact N-CD2 3.34Å; G190-H192 PolarHBondContact O-N 2.93Å; H192-V211 PolarHBondContact O-N 3.29Å |
| 193 | S | 98.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 139.2 | 176.9 | -74.2 | 0 | 0 | 0 | 0 | 110.5 | S40 Y41 V209 | S40-S193 CarbonylContact C-O 3.52Å; S40-S193 VanDerWaalsContact CA-O 3.26Å; S40-S193 WeakPolarHBondContact CA-O 3.44Å; Y41-S193 PolarHBondContact N-O 3.24Å; Y41-S193 PolarHBondContact O-N 3.04Å; S193-V209 CarbonylContact C-O 3.4Å; S193-V209 WeakPolarHBondContact CA-O 3.46Å |
| 194 | R | 98.2 | Very high | 95.4 | Very high | 25 Ų | 25 | 35.5 Ų | 35.5 | 9% | 0.094 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 140.9 | 166.5 | -70.3 | -171.8 | 177.9 | -157.4 | 4.3 | 110.1 | L37 V196 R208 V209 V211 V254 P257 | L37-R194 HydrophobicContact CD1-CB 3.95Å; L37-R194 HydrophobicContact CD1-CG 4.08Å; R194-V196 HydrophobicContact CB-CG1 4.37Å; R194-R208 CarbonylContact O-C 3.55Å; R194-R208 WeakPolarHBondContact O-CA 3.49Å; R194-V209 PolarHBondContact N-O 3.04Å; R194-V209 PolarHBondContact O-N 2.75Å; R194-V211 HydrophobicContact CB-CG2 4.3Å; R194-V211 HydrophobicContact CG-CG2 3.91Å; R194-V254 PolarHBondContact NH1-O 2.85Å; R194-V254 PolarHBondContact NH2-O 3.24Å; R194-P257 VanDerWaalsContact CZ-CB 3.48Å; R194-P257 VanDerWaalsContact NH1-CG 3.35Å |
| 195 | I | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 109.7 | 171.4 | -49.7 | -45 | 0 | 0 | 0 | 106.8 | V38 S39 Y41 L98 L206 V207 R208 | V38-I195 WeakPolarHBondContact CA-O 3.33Å; V38-I195 HydrophobicContact CB-CB 4.48Å; V38-I195 HydrophobicContact CB-CG2 4.25Å; V38-I195 WeakPolarHBondContact CB-O 3.35Å; V38-I195 PolarHBondContact N-O 3.16Å; S39-I195 PolarHBondContact N-O 3.4Å; S39-I195 PolarHBondContact O-N 2.78Å; S39-I195 WeakPolarHBondContact OG-CB 3.18Å; S39-I195 WeakPolarHBondContact OG-CG1 3.38Å; Y41-I195 HydrophobicContact CE1-CD1 3.92Å; Y41-I195 HydrophobicContact CE1-CG1 4.3Å; L98-I195 HydrophobicContact CB-CD1 3.96Å; L98-I195 HydrophobicContact CB-CG1 4.49Å; L98-I195 HydrophobicContact CD1-CD1 4.14Å; L98-I195 HydrophobicContact CD2-CG2 4.12Å; L98-I195 HydrophobicContact CG-CD1 3.57Å; L98-I195 HydrophobicContact CG-CG1 3.99Å; L98-I195 HydrophobicContact CG-CG2 4Å; I195-L206 HydrophobicContact CG2-CD1 3.48Å; I195-L206 VanDerWaalsContact CG2-CD1 3.48Å; I195-L206 HydrophobicContact CG2-CD2 4.22Å; I195-L206 HydrophobicContact CG2-CG 3.75Å; I195-V207 WeakPolarHBondContact CA-O 3.26Å; I195-R208 HydrophobicContact CD1-CB 3.67Å; I195-R208 HydrophobicContact CD1-CG 3.7Å |
| 196 | V | 98.4 | Very high | 96.3 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 143.1 | -178.9 | -61.6 | 0 | 0 | 0 | 0 | 110.1 | E36 L37 R194 Y198 L206 V207 V209 | E36-V196 CarbonylContact O-C 3.52Å; E36-V196 VanDerWaalsContact O-CA 3.31Å; E36-V196 WeakPolarHBondContact O-CA 3.44Å; L37-V196 HydrophobicContact CD1-CG1 4.1Å; R194-V196 HydrophobicContact CB-CG1 4.37Å; V196-Y198 HydrophobicContact CG2-CD1 4.23Å; V196-Y198 HydrophobicContact CG2-CE1 4.14Å; V196-L206 CarbonylContact O-C 3.53Å; V196-V207 HydrophobicContact CG2-CB 4.12Å; V196-V207 PolarHBondContact N-O 3.46Å; V196-V207 PolarHBondContact O-N 2.82Å; V196-V209 HydrophobicContact CG2-CG2 3.86Å |
| 197 | S | 98.6 | Very high | 96.8 | Very high | 11 Ų | 11 | 26.9 Ų | 26.9 | 8% | 0.077 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 146 | 169.4 | 56.4 | 0 | 0 | 0 | 0 | 111.2 | I35 E36 V38 L205 | I35-S197 CarbonylContact C-O 3.57Å; I35-S197 VanDerWaalsContact CA-O 3.31Å; I35-S197 WeakPolarHBondContact CA-O 3.26Å; E36-S197 PolarHBondContact N-O 3.27Å; E36-S197 PolarHBondContact O-N 3.34Å; V38-S197 WeakPolarHBondContact CG2-OG 3.34Å; S197-L205 WeakPolarHBondContact CA-O 3.43Å |
| 198 | Y | 98.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 165.4 | 171.9 | 52.7 | -106.3 | 0 | 0 | 0 | 111.7 | L32 L127 V196 L205 V207 F279 T281 | L32-Y198 HydrophobicContact CB-CD2 4.48Å; L32-Y198 HydrophobicContact CD1-CD1 4.11Å; L32-Y198 HydrophobicContact CD1-CD2 3.91Å; L32-Y198 HydrophobicContact CD1-CE1 4.08Å; L32-Y198 HydrophobicContact CD1-CE2 3.88Å; L32-Y198 HydrophobicContact CD1-CG 4Å; L32-Y198 HydrophobicContact CD2-CD2 3.62Å; L32-Y198 HydrophobicContact CD2-CE2 3.66Å; L32-Y198 HydrophobicContact CD2-CG 4.41Å; L32-Y198 HydrophobicContact CG-CD2 4.21Å; L32-Y198 HydrophobicContact CG-CE2 4.38Å; L127-Y198 VanDerWaalsContact CD1-OH 3.23Å; L127-Y198 WeakPolarHBondContact CD1-OH 3.47Å; V196-Y198 HydrophobicContact CG2-CD1 4.23Å; V196-Y198 HydrophobicContact CG2-CE1 4.14Å; Y198-L205 HydrophobicContact CD2-CB 4.23Å; Y198-L205 HydrophobicContact CE2-CB 3.97Å; Y198-L205 HydrophobicContact CE2-CD2 3.97Å; Y198-L205 HydrophobicContact CE2-CG 4.45Å; Y198-L205 PolarHBondContact N-O 3.24Å; Y198-L205 PolarHBondContact O-N 3.04Å; Y198-V207 HydrophobicContact CE1-CB 4.17Å; Y198-V207 HydrophobicContact CE1-CG2 3.79Å; Y198-V207 HydrophobicContact CE2-CG2 4.48Å; Y198-F279 WeakPolarHBondContact CE1-O 3.14Å; Y198-F279 PolarHBondContact OH-O 2.7Å; Y198-T281 HydrophobicContact CD1-CG2 3.82Å; Y198-T281 HydrophobicContact CE1-CG2 4Å |
| 199 | Q | 98.7 | Very high | 97.7 | Very high | 30 Ų | 30 | 22.9 Ų | 22.9 | 14% | 0.14 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.5 | 173.1 | -179 | 171.9 | -20.5 | 0 | 0 | 110.6 | L32 K33 H34 G201 L203 | L32-Q199 WeakPolarHBondContact CA-O 3.11Å; K33-Q199 HydrophobicContact CB-CB 4.36Å; K33-Q199 PolarHBondContact N-O 3.45Å; K33-Q199 PolarHBondContact O-N 3.38Å; H34-Q199 PolarHBondContact CD2-OE1 2.91Å; H34-Q199 VanDerWaalsContact CD2-OE1 3.28Å; Q199-G201 WeakPolarHBondContact CG-O 3.43Å; Q199-G201 PolarHBondContact NE2-O 2.82Å; Q199-L203 CarbonylContact C-O 3.24Å; Q199-L203 VanDerWaalsContact CA-O 3.29Å; Q199-L203 WeakPolarHBondContact CA-O 3.48Å |
| 200 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 102.3 | 170.5 | 176.8 | 68.8 | 0 | 0 | 0 | 108.3 | P29 L32 E202 L203 L205 F278 L319 Y323 L326 | P29-L200 HydrophobicContact CB-CD1 4.09Å; P29-L200 HydrophobicContact CG-CD1 3.44Å; P29-L200 VanDerWaalsContact CG-CD1 3.44Å; P29-L200 HydrophobicContact CG-CG 3.77Å; L32-L200 HydrophobicContact CD2-CB 3.89Å; L32-L200 HydrophobicContact CD2-CD1 3.61Å; L32-L200 HydrophobicContact CD2-CG 4.3Å; L200-E202 PolarHBondContact O-N 2.71Å; L200-L203 PolarHBondContact N-O 2.93Å; L200-L203 PolarHBondContact O-N 3.37Å; L200-L205 HydrophobicContact CB-CD1 4.22Å; L200-F278 HydrophobicContact CD1-CE1 4.31Å; L200-F278 HydrophobicContact CD1-CZ 4.43Å; L200-L319 HydrophobicContact CD1-CD1 4.3Å; L200-Y323 HydrophobicContact CD2-CD2 4.33Å; L200-Y323 HydrophobicContact CG-CD2 4.08Å; L200-Y323 WeakPolarHBondContact O-CE2 3.26Å; L200-L326 HydrophobicContact CD2-CD1 4.08Å |
| 201 | G | 97.8 | Very high | 98.1 | Very high | 19 Ų | 19 | 24.9 Ų | 24.9 | 20% | 0.196 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | -120.8 | -172 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q199 | Q199-G201 WeakPolarHBondContact CG-O 3.43Å; Q199-G201 PolarHBondContact NE2-O 2.82Å |
| 202 | E | 97.5 | Very high | 98.2 | Very high | 150 Ų | 150 | 24.2 Ų | 24.2 | 70% | 0.701 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | -6.8 | 174.2 | -58.7 | -52.9 | 129 | 0 | 0 | 113.3 | L200 Y323 | L200-E202 PolarHBondContact O-N 2.71Å; E202-Y323 PolarHBondContact N-OH 2.83Å; E202-Y323 VanDerWaalsContact N-OH 3.12Å |
| 203 | L | 98.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 23.9 Ų | 23.9 | 4% | 0.037 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 130.2 | -176.2 | -64.6 | 178.1 | 0 | 0 | 0 | 111 | D119 Q199 L200 L205 Y323 L326 L327 I330 | D119-L203 HydrophobicContact CB-CD2 3.94Å; D119-L203 WeakPolarHBondContact OD2-CA 3.31Å; Q199-L203 CarbonylContact C-O 3.24Å; Q199-L203 VanDerWaalsContact CA-O 3.29Å; Q199-L203 WeakPolarHBondContact CA-O 3.48Å; L200-L203 PolarHBondContact N-O 2.93Å; L200-L203 PolarHBondContact O-N 3.37Å; L203-L205 HydrophobicContact CB-CD1 3.54Å; L203-L205 WeakPolarHBondContact O-CD1 3.39Å; L203-Y323 HydrophobicContact CB-CE2 4.48Å; L203-Y323 HydrophobicContact CD1-CD2 4.08Å; L203-Y323 HydrophobicContact CD1-CE2 3.96Å; L203-Y323 HydrophobicContact CG-CD2 4.5Å; L203-Y323 HydrophobicContact CG-CE2 3.9Å; L203-L326 HydrophobicContact CD1-CB 3.66Å; L203-L326 HydrophobicContact CD1-CD1 4.41Å; L203-L327 HydrophobicContact CD1-CD2 4.18Å; L203-L327 HydrophobicContact CD1-CG 4.26Å; L203-L327 HydrophobicContact CD2-CD2 3.86Å; L203-L327 HydrophobicContact CG-CD2 4.04Å; L203-I330 HydrophobicContact CD1-CD1 3.83Å; L203-I330 HydrophobicContact CD2-CD1 3.51Å; L203-I330 HydrophobicContact CG-CD1 4.28Å |
| 204 | R | 98.8 | Very high | 98.2 | Very high | 119 Ų | 119 | 23.7 Ų | 23.7 | 45% | 0.449 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 118 | 169.2 | -70.7 | -175.5 | 174.3 | -162.4 | 2.9 | 110.1 | Q117 F118 D119 L120 | Q117-R204 WeakPolarHBondContact O-CB 3.38Å; Q117-R204 WeakPolarHBondContact O-CD 3.44Å; F118-R204 CarbonylContact C-O 3.45Å; F118-R204 WeakPolarHBondContact CA-O 3.49Å; F118-R204 HydrophobicContact CD1-CB 4.36Å; D119-R204 PolarHBondContact N-O 3.42Å; D119-R204 PolarHBondContact OD2-N 2.96Å; L120-R204 PolarHBondContact N-O 2.89Å |
| 205 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 143.5 | -177.3 | -77 | 70.4 | 0 | 0 | 0 | 110.4 | L120 L127 S197 Y198 L200 L203 V207 L326 | L120-L205 HydrophobicContact CB-CG 4.26Å; L120-L205 HydrophobicContact CD2-CD2 4.12Å; L120-L205 HydrophobicContact CD2-CG 4.25Å; L120-L205 CarbonylContact O-C 3.5Å; L120-L205 WeakPolarHBondContact O-CA 3.29Å; L127-L205 HydrophobicContact CD1-CD2 4.19Å; L127-L205 HydrophobicContact CD2-CD2 4.22Å; S197-L205 WeakPolarHBondContact CA-O 3.43Å; Y198-L205 HydrophobicContact CD2-CB 4.23Å; Y198-L205 HydrophobicContact CE2-CB 3.97Å; Y198-L205 HydrophobicContact CE2-CD2 3.97Å; Y198-L205 HydrophobicContact CE2-CG 4.45Å; Y198-L205 PolarHBondContact N-O 3.24Å; Y198-L205 PolarHBondContact O-N 3.04Å; L200-L205 HydrophobicContact CB-CD1 4.22Å; L203-L205 HydrophobicContact CB-CD1 3.54Å; L203-L205 WeakPolarHBondContact O-CD1 3.39Å; L205-V207 HydrophobicContact CB-CG2 3.93Å; L205-V207 HydrophobicContact CD2-CG2 4.41Å; L205-L326 HydrophobicContact CD2-CD1 4.28Å |
| 206 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 118.8 | 164.7 | -173.5 | 67.1 | 0 | 0 | 0 | 108.2 | V38 L98 F113 F118 L120 V121 T122 I195 V196 | V38-L206 HydrophobicContact CB-CD1 4.16Å; V38-L206 HydrophobicContact CG1-CD1 4.37Å; V38-L206 HydrophobicContact CG2-CD1 3.7Å; L98-L206 HydrophobicContact CD2-CD2 3.78Å; L98-L206 HydrophobicContact CD2-CG 4.43Å; F113-L206 HydrophobicContact CE2-CD2 3.79Å; F113-L206 HydrophobicContact CZ-CD2 3.69Å; F118-L206 HydrophobicContact CD1-CB 3.92Å; F118-L206 HydrophobicContact CD2-CB 4.12Å; F118-L206 HydrophobicContact CD2-CD2 4.14Å; F118-L206 HydrophobicContact CE1-CB 4.06Å; F118-L206 HydrophobicContact CE1-CD1 4.17Å; F118-L206 HydrophobicContact CE2-CB 4.22Å; F118-L206 HydrophobicContact CE2-CD1 4.15Å; F118-L206 HydrophobicContact CE2-CD2 3.89Å; F118-L206 HydrophobicContact CE2-CG 4.33Å; F118-L206 HydrophobicContact CG-CB 3.95Å; F118-L206 HydrophobicContact CZ-CB 4.17Å; F118-L206 HydrophobicContact CZ-CD1 3.74Å; F118-L206 HydrophobicContact CZ-CD2 4.34Å; F118-L206 HydrophobicContact CZ-CG 4.32Å; L120-L206 PolarHBondContact O-N 3.23Å; V121-L206 CarbonylContact C-O 3.46Å; V121-L206 VanDerWaalsContact CA-O 3.23Å; V121-L206 WeakPolarHBondContact CA-O 3.29Å; V121-L206 HydrophobicContact CB-CB 4.41Å; V121-L206 HydrophobicContact CG1-CB 4.11Å; V121-L206 HydrophobicContact CG1-CD2 4.03Å; V121-L206 HydrophobicContact CG1-CG 4.23Å; V121-L206 HydrophobicContact CG2-CB 4.08Å; V121-L206 HydrophobicContact CG2-CD2 4.24Å; T122-L206 PolarHBondContact N-O 2.8Å; I195-L206 HydrophobicContact CG2-CD1 3.48Å; I195-L206 VanDerWaalsContact CG2-CD1 3.48Å; I195-L206 HydrophobicContact CG2-CD2 4.22Å; I195-L206 HydrophobicContact CG2-CG 3.75Å; V196-L206 CarbonylContact O-C 3.53Å |
| 207 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 125.4 | -166.8 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | T122 C124 L127 I195 V196 Y198 L205 V209 | T122-V207 HydrophobicContact CG2-CG2 4.21Å; T122-V207 CarbonylContact O-C 3.29Å; T122-V207 VanDerWaalsContact O-CA 3.26Å; T122-V207 WeakPolarHBondContact O-CA 3.43Å; C124-V207 HydrophobicContact CB-CG1 3.78Å; L127-V207 HydrophobicContact CD1-CG1 4.21Å; L127-V207 HydrophobicContact CD1-CG2 4.04Å; I195-V207 WeakPolarHBondContact CA-O 3.26Å; V196-V207 HydrophobicContact CG2-CB 4.12Å; V196-V207 PolarHBondContact N-O 3.46Å; V196-V207 PolarHBondContact O-N 2.82Å; Y198-V207 HydrophobicContact CE1-CB 4.17Å; Y198-V207 HydrophobicContact CE1-CG2 3.79Å; Y198-V207 HydrophobicContact CE2-CG2 4.48Å; L205-V207 HydrophobicContact CB-CG2 3.93Å; L205-V207 HydrophobicContact CD2-CG2 4.41Å; V207-V209 HydrophobicContact CG1-CG2 4.13Å |
| 208 | R | 98.7 | Very high | 97.2 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 2% | 0.023 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 130.5 | 167.4 | 179.3 | 168.6 | 60.2 | -175.6 | 1.1 | 110.3 | Y41 D86 P94 L98 T122 D123 C124 R194 I195 | Y41-R208 WeakPolarHBondContact OH-CD 3.44Å; Y41-R208 PolarHBondContact OH-NH1 2.92Å; D86-R208 VanDerWaalsContact CB-NH1 3.34Å; D86-R208 IonicContact OD1-CZ 3.68Å; D86-R208 IonicContact OD1-NH1 3.2Å; D86-R208 PolarHBondContact OD1-NH1 2.76Å; D86-R208 VanDerWaalsContact OD1-NH1 3.16Å; D86-R208 IonicContact OD2-CZ 3.91Å; D86-R208 IonicContact OD2-NE 2.69Å; D86-R208 PolarHBondContact OD2-NE 3.1Å; D86-R208 IonicContact OD2-NH1 2.7Å; D86-R208 PolarHBondContact OD2-NH1 3.31Å; D86-R208 IonicContact OD2-NH2 3.42Å; D86-R208 PolarHBondContact OD2-NH2 2.91Å; P94-R208 PolarHBondContact O-NH1 3.44Å; P94-R208 PolarHBondContact O-NH2 3.47Å; L98-R208 HydrophobicContact CD1-CB 3.87Å; T122-R208 PolarHBondContact O-N 2.73Å; D123-R208 IonicContact OD1-CZ 3.76Å; D123-R208 IonicContact OD1-NE 3.82Å; D123-R208 PolarHBondContact OD1-NE 2.83Å; D123-R208 IonicContact OD1-NH2 3Å; D123-R208 PolarHBondContact OD1-NH2 2.58Å; D123-R208 IonicContact OD2-NH2 2.71Å; C124-R208 WeakPolarHBondContact CB-O 3Å; C124-R208 PolarHBondContact N-O 3.02Å; R194-R208 CarbonylContact O-C 3.55Å; R194-R208 WeakPolarHBondContact O-CA 3.49Å; I195-R208 HydrophobicContact CD1-CB 3.67Å; I195-R208 HydrophobicContact CD1-CG 3.7Å |
| 209 | V | 98.3 | Very high | 96.9 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 119.5 | -176.1 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | C124 S193 R194 V196 V207 V211 L282 | C124-V209 HydrophobicContact CB-CG2 4.08Å; S193-V209 CarbonylContact C-O 3.4Å; S193-V209 WeakPolarHBondContact CA-O 3.46Å; R194-V209 PolarHBondContact N-O 3.04Å; R194-V209 PolarHBondContact O-N 2.75Å; V196-V209 HydrophobicContact CG2-CG2 3.86Å; V207-V209 HydrophobicContact CG1-CG2 4.13Å; V209-V211 HydrophobicContact CG1-CG2 4.07Å; V209-L282 HydrophobicContact CG1-CD1 4.26Å; V209-L282 HydrophobicContact CG1-CD2 4.21Å; V209-L282 HydrophobicContact CG1-CG 4.23Å |
| 210 | E | 96.7 | Very high | 96.6 | Very high | 96 Ų | 96 | 41.9 Ų | 41.9 | 45% | 0.449 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 134.6 | 166.2 | -173.2 | -177.9 | 166.5 | 0 | 0 | 109.3 | ||
| 211 | V | 97.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | trans | -128.8 | 119.1 | -177.8 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | P63 H192 R194 V209 C213 P257 L282 | P63-V211 HydrophobicContact CB-CG1 3.9Å; P63-V211 HydrophobicContact CG-CG1 4.4Å; H192-V211 PolarHBondContact O-N 3.29Å; R194-V211 HydrophobicContact CB-CG2 4.3Å; R194-V211 HydrophobicContact CG-CG2 3.91Å; V209-V211 HydrophobicContact CG1-CG2 4.07Å; V211-C213 WeakPolarHBondContact CG1-O 3.2Å; V211-P257 HydrophobicContact CG1-CB 3.67Å; V211-L282 HydrophobicContact CG1-CD2 4.2Å; V211-L282 HydrophobicContact CG2-CD2 3.73Å | ||
| 212 | D | 96.6 | Very high | 95.9 | Very high | 17 Ų | 17 | 49 Ų | 49 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | trans | -73.8 | -45 | -175.3 | -65 | -43.3 | 0 | 0 | 0 | 111.9 | K64 K177 M258 S259 S260 | K64-D212 WeakPolarHBondContact CB-O 3.36Å; K177-D212 VanDerWaalsContact CE-CG 3.47Å; K177-D212 WeakPolarHBondContact CE-OD1 3.13Å; K177-D212 WeakPolarHBondContact CE-OD2 3.09Å; K177-D212 IonicContact NZ-OD1 3.43Å; K177-D212 PolarHBondContact NZ-OD1 2.8Å; K177-D212 IonicContact NZ-OD2 2.76Å; K177-D212 PolarHBondContact NZ-OD2 3.25Å; D212-M258 PolarHBondContact N-O 2.6Å; D212-M258 VanDerWaalsContact N-O 3.15Å; D212-S259 WeakPolarHBondContact OD2-CA 3.1Å; D212-S259 PolarHBondContact OD2-OG 3.4Å; D212-S260 PolarHBondContact OD2-N 3Å; D212-S260 PolarHBondContact OD2-OG 2.9Å | ||
| 213 | C | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 179.8 | -176 | 61.1 | 0 | 0 | 0 | 0 | 113 | K64 F66 C181 V211 M258 | K64-C213 HydrophobicContact CB-CB 4.41Å; K64-C213 CarbonylContact O-C 3.57Å; K64-C213 VanDerWaalsContact O-C 3.28Å; K64-C213 WeakPolarHBondContact O-CA 3.32Å; K64-C213 VanDerWaalsContact O-CB 3.27Å; K64-C213 WeakPolarHBondContact O-CB 3.24Å; F66-C213 HydrophobicContact CB-CB 4.25Å; C181-C213 HydrophobicContact CB-CB 4.01Å; C181-C213 VanDerWaalsContact SG-SG 3.67Å; V211-C213 WeakPolarHBondContact CG1-O 3.2Å; C213-M258 PolarHBondContact N-O 3.04Å; C213-M258 VanDerWaalsContact N-O 3.15Å; C213-M258 PolarHBondContact O-N 2.85Å; C213-M258 VanDerWaalsContact O-O 3.12Å |
| 214 | A | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 148.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112.2 | P63 K64 F66 F216 V254 S256 | P63-A214 HydrophobicContact CB-CB 4.44Å; P63-A214 HydrophobicContact CG-CB 3.56Å; K64-A214 PolarHBondContact O-N 3.35Å; F66-A214 WeakPolarHBondContact CB-O 3.09Å; F66-A214 PolarHBondContact N-O 2.89Å; A214-F216 HydrophobicContact CB-CD2 4.12Å; A214-F216 HydrophobicContact CB-CE1 4.37Å; A214-F216 HydrophobicContact CB-CE2 3.77Å; A214-F216 HydrophobicContact CB-CZ 3.91Å; A214-F216 WeakPolarHBondContact O-CD2 3.5Å; A214-F216 PolarHBondContact O-N 2.79Å; A214-V254 HydrophobicContact CB-CG1 3.4Å; A214-S256 CarbonylContact C-O 3.48Å; A214-S256 WeakPolarHBondContact CA-O 3.39Å; A214-S256 WeakPolarHBondContact CB-O 3.49Å |
| 215 | A | 95.3 | Very high | 94.3 | Very high | 38 Ų | 38 | 45.4 Ų | 45.4 | 31% | 0.314 | 23% | 0.231 | S | C | . | . | trans | -87 | 81.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | S256 M258 | A215-S256 PolarHBondContact N-O 3.15Å; A215-S256 WeakPolarHBondContact O-CB 3.33Å; A215-M258 HydrophobicContact CB-CE 3.79Å; A215-M258 HydrophobicContact CB-SD 4.09Å | ||
| 216 | F | 94 | Very high | 93.8 | Very high | 23 Ų | 23 | 51.4 Ų | 51.4 | 10% | 0.101 | 26% | 0.263 | C | S | . | . | trans | -65.7 | 140 | 179.2 | -63.8 | -86.5 | 0 | 0 | 0 | 111.6 | P63 Q65 L184 A214 E220 L221 L224 V254 | P63-F216 HydrophobicContact CG-CZ 4.08Å; Q65-F216 HydrophobicContact CB-CD2 4Å; Q65-F216 HydrophobicContact CB-CE2 4.08Å; Q65-F216 HydrophobicContact CG-CD2 4.11Å; L184-F216 HydrophobicContact CD1-CE1 3.99Å; L184-F216 HydrophobicContact CD1-CE2 3.84Å; L184-F216 HydrophobicContact CD1-CZ 3.51Å; L184-F216 HydrophobicContact CD2-CE2 4.36Å; L184-F216 HydrophobicContact CG-CE2 4.24Å; L184-F216 HydrophobicContact CG-CZ 4.37Å; A214-F216 HydrophobicContact CB-CD2 4.12Å; A214-F216 HydrophobicContact CB-CE1 4.37Å; A214-F216 HydrophobicContact CB-CE2 3.77Å; A214-F216 HydrophobicContact CB-CZ 3.91Å; A214-F216 WeakPolarHBondContact O-CD2 3.5Å; A214-F216 PolarHBondContact O-N 2.79Å; F216-E220 WeakPolarHBondContact CA-OE2 3.32Å; F216-E220 HydrophobicContact CB-CB 4.27Å; F216-E220 HydrophobicContact CD1-CB 4.01Å; F216-L221 HydrophobicContact CB-CD1 4.28Å; F216-L221 HydrophobicContact CB-CD2 3.61Å; F216-L221 HydrophobicContact CB-CG 3.59Å; F216-L221 HydrophobicContact CD2-CD2 4.1Å; F216-L221 HydrophobicContact CG-CD2 3.93Å; F216-L221 HydrophobicContact CG-CG 4.41Å; F216-L224 HydrophobicContact CD1-CD1 3.88Å; F216-L224 HydrophobicContact CE1-CD1 3.57Å; F216-L224 HydrophobicContact CZ-CD1 4.37Å; F216-V254 HydrophobicContact CD1-CG1 4.26Å; F216-V254 HydrophobicContact CD1-CG2 4.47Å; F216-V254 HydrophobicContact CE1-CB 4.18Å; F216-V254 HydrophobicContact CE1-CG1 3.73Å; F216-V254 HydrophobicContact CE1-CG2 3.57Å; F216-V254 HydrophobicContact CZ-CG1 4.16Å; F216-V254 HydrophobicContact CZ-CG2 4.24Å | ||
| 217 | T | 93.3 | Very high | 93.3 | Very high | 66 Ų | 66 | 53.1 Ų | 53.1 | 41% | 0.405 | 28% | 0.281 | S | S | . | . | trans | -69.2 | 160 | 164.7 | 61 | 0 | 0 | 0 | 0 | 110.5 | Q219 E220 L221 | T217-Q219 VanDerWaalsContact C-N 3.27Å; T217-Q219 PolarHBondContact O-N 3.43Å; T217-E220 PolarHBondContact N-OE2 3.26Å; T217-E220 PolarHBondContact O-N 2.85Å; T217-E220 WeakPolarHBondContact OG1-CB 3.44Å; T217-E220 VanDerWaalsContact OG1-CD 3.3Å; T217-E220 WeakPolarHBondContact OG1-CG 3.33Å; T217-E220 PolarHBondContact OG1-N 3.39Å; T217-E220 PolarHBondContact OG1-OE2 3.17Å; T217-L221 WeakPolarHBondContact O-CG 3.12Å; T217-L221 PolarHBondContact O-N 2.93Å | ||
| 218 | E | 91.9 | Very high | 92.7 | Very high | 164 Ų | 164 | 57.9 Ų | 57.9 | 77% | 0.766 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -55.6 | -44 | 175.7 | -68.2 | 176.4 | 179.2 | 0 | 0 | 111.3 | E220 L221 E222 | E218-E220 PolarHBondContact O-N 3Å; E218-L221 PolarHBondContact O-N 3.39Å; E218-E222 WeakPolarHBondContact O-CG 3.21Å; E218-E222 PolarHBondContact O-N 2.96Å |
| 219 | Q | 91.4 | Very high | 92 | Very high | 144 Ų | 144 | 57.8 Ų | 57.8 | 67% | 0.673 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.3 | -41.2 | 177.5 | -174.1 | -178.4 | 8.2 | 0 | 0 | 113 | T217 L221 T223 | T217-Q219 VanDerWaalsContact C-N 3.27Å; T217-Q219 PolarHBondContact O-N 3.43Å; Q219-L221 VanDerWaalsContact C-N 3.34Å; Q219-T223 WeakPolarHBondContact O-CB 3.47Å; Q219-T223 PolarHBondContact O-N 2.93Å; Q219-T223 PolarHBondContact O-OG1 3.28Å |
| 220 | E | 92.1 | Very high | 91.4 | Very high | 23 Ų | 23 | 59 Ų | 59 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 175.6 | -73.7 | 165.3 | 145.6 | 0 | 0 | 111.2 | F216 T217 E218 L224 V254 S255 | F216-E220 WeakPolarHBondContact CA-OE2 3.32Å; F216-E220 HydrophobicContact CB-CB 4.27Å; F216-E220 HydrophobicContact CD1-CB 4.01Å; T217-E220 PolarHBondContact N-OE2 3.26Å; T217-E220 PolarHBondContact O-N 2.85Å; T217-E220 WeakPolarHBondContact OG1-CB 3.44Å; T217-E220 VanDerWaalsContact OG1-CD 3.3Å; T217-E220 WeakPolarHBondContact OG1-CG 3.33Å; T217-E220 PolarHBondContact OG1-N 3.39Å; T217-E220 PolarHBondContact OG1-OE2 3.17Å; E218-E220 PolarHBondContact O-N 3Å; E220-L224 WeakPolarHBondContact O-CA 3.43Å; E220-L224 VanDerWaalsContact O-CD1 3.23Å; E220-L224 WeakPolarHBondContact O-CD1 3.29Å; E220-L224 VanDerWaalsContact O-CG 3.23Å; E220-L224 WeakPolarHBondContact O-CG 3.19Å; E220-L224 PolarHBondContact O-N 2.77Å; E220-V254 WeakPolarHBondContact OE1-CA 3.31Å; E220-S255 WeakPolarHBondContact OE1-CB 3.47Å; E220-S255 PolarHBondContact OE1-N 2.95Å; E220-S255 PolarHBondContact OE1-OG 2.93Å; E220-S255 PolarHBondContact OE2-OG 3.45Å; E220-S255 VanDerWaalsContact OE2-OG 3.12Å |
| 221 | L | 91.2 | Very high | 90.5 | Very high | 32 Ų | 32 | 61.7 Ų | 61.7 | 17% | 0.168 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.3 | -45 | 176 | -70.5 | 172.6 | 0 | 0 | 0 | 112.1 | Q65 L184 F216 T217 E218 Q219 T223 L224 M225 | Q65-L221 HydrophobicContact CG-CD2 4.41Å; L184-L221 HydrophobicContact CD2-CD2 3.61Å; F216-L221 HydrophobicContact CB-CD1 4.28Å; F216-L221 HydrophobicContact CB-CD2 3.61Å; F216-L221 HydrophobicContact CB-CG 3.59Å; F216-L221 HydrophobicContact CD2-CD2 4.1Å; F216-L221 HydrophobicContact CG-CD2 3.93Å; F216-L221 HydrophobicContact CG-CG 4.41Å; T217-L221 WeakPolarHBondContact O-CG 3.12Å; T217-L221 PolarHBondContact O-N 2.93Å; E218-L221 PolarHBondContact O-N 3.39Å; Q219-L221 VanDerWaalsContact C-N 3.34Å; L221-T223 VanDerWaalsContact C-N 3.31Å; L221-T223 PolarHBondContact O-N 3.4Å; L221-L224 CarbonylContact O-C 3.45Å; L221-L224 VanDerWaalsContact O-CA 3.25Å; L221-L224 WeakPolarHBondContact O-CA 3.31Å; L221-L224 PolarHBondContact O-N 2.9Å; L221-L224 VanDerWaalsContact O-N 3.1Å; L221-M225 VanDerWaalsContact O-CB 3.31Å; L221-M225 WeakPolarHBondContact O-CB 3.42Å; L221-M225 VanDerWaalsContact O-CG 3.23Å; L221-M225 WeakPolarHBondContact O-CG 3.42Å; L221-M225 PolarHBondContact O-N 3.01Å |
| 222 | E | 90.3 | Very high | 89.1 | Confident | 137 Ų | 137 | 67.1 Ų | 67.1 | 64% | 0.64 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -56.8 | -48.7 | 175.9 | -75.9 | 176.7 | 175.4 | 0 | 0 | 110.4 | E218 M225 D226 | E218-E222 WeakPolarHBondContact O-CG 3.21Å; E218-E222 PolarHBondContact O-N 2.96Å; E222-M225 PolarHBondContact O-N 3.33Å; E222-D226 WeakPolarHBondContact O-CB 3.48Å; E222-D226 PolarHBondContact O-N 3.01Å |
| 223 | T | 87.9 | Confident | 87.9 | Confident | 72 Ų | 72 | 72.7 Ų | 72.7 | 44% | 0.442 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.7 | -50.7 | 173.3 | -51.1 | 0 | 0 | 0 | 0 | 109.6 | Q219 L221 M225 D226 R250 | Q219-T223 WeakPolarHBondContact O-CB 3.47Å; Q219-T223 PolarHBondContact O-N 2.93Å; Q219-T223 PolarHBondContact O-OG1 3.28Å; L221-T223 VanDerWaalsContact C-N 3.31Å; L221-T223 PolarHBondContact O-N 3.4Å; T223-M225 PolarHBondContact O-N 3.16Å; T223-M225 VanDerWaalsContact O-N 3.14Å; T223-D226 PolarHBondContact O-N 2.79Å; T223-R250 PolarHBondContact O-NH1 2.8Å; T223-R250 PolarHBondContact O-NH2 3.36Å |
| 224 | L | 86.8 | Confident | 86.8 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.021 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -40 | -41.1 | 172.6 | 51.9 | 81.8 | 0 | 0 | 0 | 115.8 | L184 Q185 F216 E220 L221 L229 R250 I252 | L184-L224 HydrophobicContact CD1-CD1 3.6Å; Q185-L224 PolarHBondContact NE2-O 2.76Å; F216-L224 HydrophobicContact CD1-CD1 3.88Å; F216-L224 HydrophobicContact CE1-CD1 3.57Å; F216-L224 HydrophobicContact CZ-CD1 4.37Å; E220-L224 WeakPolarHBondContact O-CA 3.43Å; E220-L224 VanDerWaalsContact O-CD1 3.23Å; E220-L224 WeakPolarHBondContact O-CD1 3.29Å; E220-L224 VanDerWaalsContact O-CG 3.23Å; E220-L224 WeakPolarHBondContact O-CG 3.19Å; E220-L224 PolarHBondContact O-N 2.77Å; L221-L224 CarbonylContact O-C 3.45Å; L221-L224 VanDerWaalsContact O-CA 3.25Å; L221-L224 WeakPolarHBondContact O-CA 3.31Å; L221-L224 PolarHBondContact O-N 2.9Å; L221-L224 VanDerWaalsContact O-N 3.1Å; L224-L229 HydrophobicContact CB-CD2 4.12Å; L224-L229 HydrophobicContact CD2-CD2 4.27Å; L224-R250 PolarHBondContact O-NH2 3.42Å; L224-I252 HydrophobicContact CD2-CB 3.92Å; L224-I252 HydrophobicContact CD2-CD1 4.13Å; L224-I252 HydrophobicContact CD2-CG1 3.62Å; L224-I252 HydrophobicContact CD2-CG2 3.62Å |
| 225 | M | 87.6 | Confident | 86 | Confident | 124 Ų | 124 | 82.1 Ų | 82.1 | 61% | 0.611 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -111 | -7.4 | -167.9 | -63.8 | -178.4 | 63.3 | 0 | 0 | 112.6 | L221 E222 T223 G227 | L221-M225 VanDerWaalsContact O-CB 3.31Å; L221-M225 WeakPolarHBondContact O-CB 3.42Å; L221-M225 VanDerWaalsContact O-CG 3.23Å; L221-M225 WeakPolarHBondContact O-CG 3.42Å; L221-M225 PolarHBondContact O-N 3.01Å; E222-M225 PolarHBondContact O-N 3.33Å; T223-M225 PolarHBondContact O-N 3.16Å; T223-M225 VanDerWaalsContact O-N 3.14Å; M225-G227 VanDerWaalsContact C-N 3.27Å; M225-G227 PolarHBondContact O-N 3.37Å |
| 226 | D | 88.7 | Confident | 85.7 | Confident | 127 Ų | 127 | 82.2 Ų | 82.2 | 68% | 0.679 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -71.8 | 83.2 | 172.4 | -173.2 | 26.4 | 0 | 0 | 0 | 110.3 | E222 T223 R250 | E222-D226 WeakPolarHBondContact O-CB 3.48Å; E222-D226 PolarHBondContact O-N 3.01Å; T223-D226 PolarHBondContact O-N 2.79Å; D226-R250 PolarHBondContact O-NH1 3.37Å |
| 227 | G | 87.8 | Confident | 85.6 | Confident | 36 Ų | 36 | 86.3 Ų | 86.3 | 37% | 0.371 | 46% | 0.464 | S | S | . | . | S | Bend | trans | 80.3 | 174.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q185 M225 | Q185-G227 PolarHBondContact NE2-O 2.94Å; M225-G227 VanDerWaalsContact C-N 3.27Å; M225-G227 PolarHBondContact O-N 3.37Å |
| 228 | P | 86 | Confident | 85.6 | Confident | 99 Ų | 99 | 86.7 Ų | 86.7 | 64% | 0.643 | 47% | 0.469 | S | S | * | . | trans | -69.4 | 140.6 | 179.5 | 31.8 | -36.2 | 0 | 0 | 0 | 110.9 | L230 | P228-L230 VanDerWaalsContact C-N 3.29Å; P228-L230 WeakPolarHBondContact CB-O 3.4Å | ||
| 229 | L | 84.7 | Confident | 85.8 | Confident | 5 Ų | 5 | 80 Ų | 80 | 3% | 0.026 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -71.1 | -28.8 | 178.4 | -74.9 | 171.9 | 0 | 0 | 0 | 112.9 | Q185 L188 L224 S249 R250 I252 | Q185-L229 HydrophobicContact CG-CD1 4.19Å; Q185-L229 HydrophobicContact CG-CG 4.5Å; L188-L229 HydrophobicContact CD1-CD1 3.25Å; L188-L229 HydrophobicContact CG-CD1 4.04Å; L224-L229 HydrophobicContact CB-CD2 4.12Å; L224-L229 HydrophobicContact CD2-CD2 4.27Å; L229-S249 WeakPolarHBondContact O-CA 3.34Å; L229-S249 WeakPolarHBondContact O-CB 3.21Å; L229-R250 HydrophobicContact CD2-CG 3.49Å; L229-R250 VanDerWaalsContact CD2-CG 3.49Å; L229-R250 VanDerWaalsContact CD2-NH2 3.34Å; L229-R250 PolarHBondContact O-N 2.73Å; L229-I252 HydrophobicContact CD1-CD1 4.19Å; L229-I252 HydrophobicContact CD2-CD1 3.91Å; L229-I252 HydrophobicContact CD2-CG1 4.22Å |
| 230 | L | 84.5 | Confident | 85.9 | Confident | 27 Ų | 27 | 79.2 Ų | 79.2 | 14% | 0.141 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -104.2 | 140.5 | 173.6 | -52.4 | -175.6 | 0 | 0 | 0 | 108.3 | I58 E187 P228 I247 | I58-L230 HydrophobicContact CD1-CD1 4.07Å; I58-L230 HydrophobicContact CG1-CD1 4.43Å; I58-L230 HydrophobicContact CG2-CD2 3.79Å; E187-L230 HydrophobicContact CB-CD1 3.86Å; E187-L230 HydrophobicContact CG-CD1 3.96Å; P228-L230 VanDerWaalsContact C-N 3.29Å; P228-L230 WeakPolarHBondContact CB-O 3.4Å; L230-I247 HydrophobicContact CD1-CG2 4.23Å; L230-I247 HydrophobicContact CD2-CG2 3.87Å |
| 231 | Q | 78.2 | Confident | 86 | Confident | 154 Ų | 154 | 79.9 Ų | 79.9 | 72% | 0.72 | 45% | 0.449 | S | S | * | . | trans | -73.2 | 150.8 | 171.9 | -57.6 | 179.5 | 4.6 | 0 | 0 | 108.7 | D233 S234 | Q231-D233 PolarHBondContact O-N 3.43Å; Q231-D233 VanDerWaalsContact O-N 3.1Å; Q231-S234 WeakPolarHBondContact CA-OG 3.09Å; Q231-S234 WeakPolarHBondContact CB-OG 3.44Å; Q231-S234 PolarHBondContact N-OG 3.13Å; Q231-S234 WeakPolarHBondContact O-CB 3.48Å; Q231-S234 PolarHBondContact O-N 3.49Å; Q231-S234 PolarHBondContact O-OG 3.38Å | ||
| 232 | S | 68.8 | Low | 86.2 | Confident | 117 Ų | 117 | 79 Ų | 79 | 82% | 0.818 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -30.7 | -179.8 | 56.3 | 0 | 0 | 0 | 0 | 113 | ||
| 233 | D | 70.4 | Confident | 86.4 | Confident | 135 Ų | 135 | 75.5 Ų | 75.5 | 72% | 0.722 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 9.6 | -177.6 | -57.8 | -8.5 | 0 | 0 | 0 | 112.1 | Q231 Q235 | Q231-D233 PolarHBondContact O-N 3.43Å; Q231-D233 VanDerWaalsContact O-N 3.1Å; D233-Q235 PolarHBondContact O-N 3.33Å |
| 234 | S | 75.5 | Confident | 86.7 | Confident | 37 Ų | 37 | 72.1 Ų | 72.1 | 26% | 0.259 | 41% | 0.412 | S | S | . | . | trans | -61.8 | 99.2 | 178.9 | -74.5 | 0 | 0 | 0 | 0 | 110 | Q231 | Q231-S234 WeakPolarHBondContact CA-OG 3.09Å; Q231-S234 WeakPolarHBondContact CB-OG 3.44Å; Q231-S234 PolarHBondContact N-OG 3.13Å; Q231-S234 WeakPolarHBondContact O-CB 3.48Å; Q231-S234 PolarHBondContact O-N 3.49Å; Q231-S234 PolarHBondContact O-OG 3.38Å | ||
| 235 | Q | 80.8 | Confident | 87.1 | Confident | 160 Ų | 160 | 74.7 Ų | 74.7 | 75% | 0.748 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 150 | 170.3 | -63.6 | -169.6 | 0.9 | 0 | 0 | 109.4 | D233 E237 | D233-Q235 PolarHBondContact O-N 3.33Å; Q235-E237 PolarHBondContact O-N 3.36Å |
| 236 | S | 88.3 | Confident | 87.5 | Confident | 40 Ų | 40 | 69.2 Ų | 69.2 | 28% | 0.28 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 129.8 | 170.2 | 53.9 | 0 | 0 | 0 | 0 | 109.1 | R245 H246 | S236-R245 PolarHBondContact O-NE 3.19Å; S236-R245 PolarHBondContact O-NH2 3.32Å; S236-R245 WeakPolarHBondContact OG-CD 3.31Å; S236-R245 PolarHBondContact OG-NE 3.08Å; S236-H246 CarbonylContact C-O 3.28Å; S236-H246 VanDerWaalsContact CA-O 3.27Å; S236-H246 WeakPolarHBondContact CA-O 3.4Å |
| 237 | E | 92.1 | Very high | 87.8 | Confident | 110 Ų | 110 | 64.1 Ų | 64.1 | 51% | 0.514 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 165.2 | 178.1 | -66.4 | -179.2 | -149.7 | 0 | 0 | 110.2 | Q235 R245 H246 | Q235-E237 PolarHBondContact O-N 3.36Å; E237-R245 CarbonylContact O-C 3.56Å; E237-R245 WeakPolarHBondContact O-CA 3.34Å; E237-R245 VanDerWaalsContact O-CB 3.32Å; E237-R245 WeakPolarHBondContact O-CB 3.48Å; E237-H246 PolarHBondContact N-O 3.18Å; E237-H246 PolarHBondContact O-N 2.97Å; E237-H246 IonicContact OE2-NE2 2.64Å |
| 238 | S | 93.7 | Very high | 88 | Confident | 73 Ų | 73 | 65 Ų | 65 | 51% | 0.51 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 147.3 | 178 | 58.7 | 0 | 0 | 0 | 0 | 109.8 | ||
| 239 | I | 94.4 | Very high | 88.3 | Confident | 25 Ų | 25 | 60.6 Ų | 60.6 | 13% | 0.128 | 33% | 0.333 | C | S | . | . | trans | -97.9 | 145.1 | 167.4 | 66 | -171.6 | 0 | 0 | 0 | 109.2 | H100 F103 V104 F241 S242 | H100-I239 HydrophobicContact CB-CD1 4.5Å; F103-I239 HydrophobicContact CB-CD1 4.14Å; V104-I239 HydrophobicContact CG2-CG2 4.35Å; I239-F241 HydrophobicContact CB-CE1 4.49Å; I239-F241 HydrophobicContact CB-CZ 4.28Å; I239-F241 HydrophobicContact CD1-CD2 4.07Å; I239-F241 HydrophobicContact CD1-CE2 3.46Å; I239-F241 VanDerWaalsContact CD1-CE2 3.46Å; I239-F241 HydrophobicContact CD1-CZ 3.9Å; I239-F241 HydrophobicContact CG1-CD2 4.23Å; I239-F241 HydrophobicContact CG1-CE2 3.97Å; I239-F241 HydrophobicContact CG1-CZ 4.23Å; I239-F241 PolarHBondContact O-N 3.5Å; I239-S242 VanDerWaalsContact CG1-CB 3.42Å; I239-S242 PolarHBondContact O-N 2.81Å | ||
| 240 | P | 94.2 | Very high | 88.6 | Confident | 126 Ų | 126 | 63 Ų | 63 | 82% | 0.818 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19 | -168 | -26.5 | 35.1 | 0 | 0 | 0 | 116.2 | ||
| 241 | F | 94.3 | Very high | 88.8 | Confident | 37 Ų | 37 | 65.7 Ų | 65.7 | 16% | 0.162 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 23.1 | -173.5 | 49 | -95.9 | 0 | 0 | 0 | 112.3 | F103 I239 M369 H372 | F103-F241 HydrophobicContact CD1-CE2 4.42Å; F103-F241 HydrophobicContact CD1-CZ 4.3Å; F103-F241 AromaticContact CD2-CE2 3.68Å; F103-F241 HydrophobicContact CD2-CE2 3.68Å; F103-F241 HydrophobicContact CD2-CZ 4.32Å; F103-F241 AromaticContact CE2-CE2 3.84Å; F103-F241 HydrophobicContact CE2-CE2 3.84Å; F103-F241 AromaticContact CG-CE2 3.99Å; F103-F241 HydrophobicContact CG-CE2 3.99Å; F103-F241 HydrophobicContact CG-CZ 4.18Å; F103-F241 HydrophobicContact CZ-CE2 4.29Å; I239-F241 HydrophobicContact CB-CE1 4.49Å; I239-F241 HydrophobicContact CB-CZ 4.28Å; I239-F241 HydrophobicContact CD1-CD2 4.07Å; I239-F241 HydrophobicContact CD1-CE2 3.46Å; I239-F241 VanDerWaalsContact CD1-CE2 3.46Å; I239-F241 HydrophobicContact CD1-CZ 3.9Å; I239-F241 HydrophobicContact CG1-CD2 4.23Å; I239-F241 HydrophobicContact CG1-CE2 3.97Å; I239-F241 HydrophobicContact CG1-CZ 4.23Å; I239-F241 PolarHBondContact O-N 3.5Å; F241-M369 HydrophobicContact CD2-CE 4.16Å; F241-M369 HydrophobicContact CD2-SD 4.02Å; F241-M369 HydrophobicContact CE2-CE 4.5Å; F241-M369 HydrophobicContact CE2-SD 4.4Å; F241-M369 WeakPolarHBondContact O-CA 3.36Å; F241-M369 WeakPolarHBondContact O-CB 3.23Å; F241-M369 PolarHBondContact O-N 2.82Å; F241-M369 VanDerWaalsContact O-N 3.17Å; F241-H372 HydrophobicContact CB-CB 3.64Å; F241-H372 HydrophobicContact CD1-CB 4.35Å; F241-H372 AromaticContact CD1-CE1 3.74Å; F241-H372 AromaticContact CD1-CG 3.71Å; F241-H372 AromaticContact CD1-ND1 3.5Å; F241-H372 HydrophobicContact CD2-CB 3.94Å; F241-H372 AromaticContact CD2-CD2 3.48Å; F241-H372 VanDerWaalsContact CD2-CD2 3.48Å; F241-H372 WeakPolarHBondContact CD2-CD2 3.18Å; F241-H372 AromaticContact CD2-CG 3.61Å; F241-H372 AromaticContact CE1-CE1 3.48Å; F241-H372 VanDerWaalsContact CE1-CE1 3.48Å; F241-H372 WeakPolarHBondContact CE1-CE1 3.45Å; F241-H372 AromaticContact CE1-ND1 3.76Å; F241-H372 AromaticContact CE1-NE2 3.65Å; F241-H372 AromaticContact CE2-CD2 3.42Å; F241-H372 VanDerWaalsContact CE2-CD2 3.42Å; F241-H372 WeakPolarHBondContact CE2-CD2 3.48Å; F241-H372 AromaticContact CE2-CG 3.97Å; F241-H372 AromaticContact CE2-NE2 3.65Å; F241-H372 HydrophobicContact CG-CB 3.71Å; F241-H372 AromaticContact CG-CD2 3.8Å; F241-H372 AromaticContact CG-CG 3.45Å; F241-H372 VanDerWaalsContact CG-CG 3.45Å; F241-H372 AromaticContact CG-ND1 3.77Å; F241-H372 AromaticContact CZ-CD2 3.7Å; F241-H372 AromaticContact CZ-CE1 3.75Å; F241-H372 AromaticContact CZ-NE2 3.4Å; F241-H372 WeakPolarHBondContact CZ-NE2 3.49Å |
| 242 | S | 95.1 | Very high | 89.3 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | trans | -136.4 | 149.1 | 176.5 | -169.4 | 0 | 0 | 0 | 0 | 112.9 | E96 H100 I239 V244 | E96-S242 WeakPolarHBondContact OE1-CA 3.33Å; E96-S242 WeakPolarHBondContact OE1-CB 3.44Å; E96-S242 PolarHBondContact OE1-OG 3.25Å; H100-S242 VanDerWaalsContact ND1-CB 3.29Å; H100-S242 WeakPolarHBondContact ND1-CB 3.46Å; H100-S242 PolarHBondContact ND1-OG 3.42Å; I239-S242 VanDerWaalsContact CG1-CB 3.42Å; I239-S242 PolarHBondContact O-N 2.81Å; S242-V244 PolarHBondContact OG-N 2.8Å | ||
| 243 | T | 93.7 | Very high | 90.2 | Very high | 64 Ų | 64 | 58.3 Ų | 58.3 | 39% | 0.393 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -91.6 | -1.3 | 174.6 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | E96 I368 | E96-T243 PolarHBondContact OE1-N 2.99Å; T243-I368 HydrophobicContact CG2-CD1 3.95Å |
| 244 | V | 95.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | trans | -93.9 | 145.9 | 176.1 | 172.9 | 0 | 0 | 0 | 0 | 108.8 | P55 I57 M90 E96 A97 H100 S242 | P55-V244 HydrophobicContact CB-CG2 4.48Å; I57-V244 HydrophobicContact CD1-CG1 4.05Å; I57-V244 HydrophobicContact CG1-CG1 3.82Å; I57-V244 HydrophobicContact CG2-CG1 4.32Å; M90-V244 HydrophobicContact CE-CG2 3.82Å; M90-V244 HydrophobicContact SD-CG2 3.27Å; M90-V244 WeakPolarHBondContact SD-CG2 3.4Å; E96-V244 HydrophobicContact CB-CG2 4.28Å; E96-V244 HydrophobicContact CG-CG2 3.74Å; A97-V244 HydrophobicContact CB-CG2 4.5Å; H100-V244 HydrophobicContact CB-CB 4.19Å; H100-V244 HydrophobicContact CB-CG1 4.26Å; H100-V244 PolarHBondContact CE1-O 2.9Å; H100-V244 PolarHBondContact ND1-O 3.3Å; S242-V244 PolarHBondContact OG-N 2.8Å | ||
| 245 | R | 95.6 | Very high | 91.8 | Very high | 59 Ų | 59 | 54.1 Ų | 54.1 | 22% | 0.223 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 158.1 | 164.5 | -52.2 | -172.6 | 82.8 | 73.5 | 3.4 | 110.5 | E54 P55 T56 I57 S236 E237 | E54-R245 HydrophobicContact CB-CG 4.08Å; E54-R245 WeakPolarHBondContact OE2-CD 3.4Å; E54-R245 WeakPolarHBondContact OE2-CG 3.35Å; E54-R245 IonicContact OE2-CZ 2.76Å; E54-R245 IonicContact OE2-NE 3.6Å; E54-R245 IonicContact OE2-NH1 2.78Å; E54-R245 PolarHBondContact OE2-NH1 3.36Å; P55-R245 PolarHBondContact O-N 2.89Å; T56-R245 VanDerWaalsContact CA-O 3.31Å; T56-R245 WeakPolarHBondContact CA-O 3.32Å; T56-R245 HydrophobicContact CG2-CB 4.2Å; I57-R245 WeakPolarHBondContact CG1-O 3.45Å; I57-R245 PolarHBondContact N-O 3.19Å; S236-R245 PolarHBondContact O-NE 3.19Å; S236-R245 PolarHBondContact O-NH2 3.32Å; S236-R245 WeakPolarHBondContact OG-CD 3.31Å; S236-R245 PolarHBondContact OG-NE 3.08Å; E237-R245 CarbonylContact O-C 3.56Å; E237-R245 WeakPolarHBondContact O-CA 3.34Å; E237-R245 VanDerWaalsContact O-CB 3.32Å; E237-R245 WeakPolarHBondContact O-CB 3.48Å |
| 246 | H | 95.2 | Very high | 92.5 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 154.4 | 169.6 | 68.6 | -81 | 0 | 0 | 0 | 112.4 | I57 V59 H100 V104 S236 E237 | I57-H246 HydrophobicContact CG1-CB 4.02Å; I57-H246 CarbonylContact O-C 3.03Å; I57-H246 WeakPolarHBondContact O-CA 3.34Å; V59-H246 HydrophobicContact CG2-CB 4.07Å; H100-H246 AromaticContact CD2-ND1 3.96Å; H100-H246 AromaticContact CE1-ND1 3.83Å; H100-H246 AromaticContact NE2-CG 3.54Å; H100-H246 AromaticContact NE2-ND1 2.93Å; H100-H246 PolarHBondContact NE2-ND1 3.23Å; V104-H246 HydrophobicContact CG2-CB 4.49Å; V104-H246 WeakPolarHBondContact CG2-ND1 3.2Å; S236-H246 CarbonylContact C-O 3.28Å; S236-H246 VanDerWaalsContact CA-O 3.27Å; S236-H246 WeakPolarHBondContact CA-O 3.4Å; E237-H246 PolarHBondContact N-O 3.18Å; E237-H246 PolarHBondContact O-N 2.97Å; E237-H246 IonicContact OE2-NE2 2.64Å |
| 247 | I | 94.7 | Very high | 92.9 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 11% | 0.108 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 122.3 | 164.2 | -53.9 | 174.3 | 0 | 0 | 0 | 106.5 | T56 I57 I58 V59 L230 S249 | T56-I247 HydrophobicContact CG2-CD1 4.09Å; T56-I247 HydrophobicContact CG2-CG1 3.84Å; I57-I247 PolarHBondContact O-N 2.94Å; I58-I247 WeakPolarHBondContact CA-O 3.35Å; I58-I247 HydrophobicContact CG1-CB 4.39Å; V59-I247 PolarHBondContact N-O 2.99Å; L230-I247 HydrophobicContact CD1-CG2 4.23Å; L230-I247 HydrophobicContact CD2-CG2 3.87Å; I247-S249 PolarHBondContact O-N 3.17Å |
| 248 | Q | 92.8 | Very high | 93.1 | Very high | 55 Ų | 55 | 40.9 Ų | 40.9 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 115.2 | 178.1 | -174.8 | 60.6 | 57 | 0 | 0 | 109.6 | V59 | V59-Q248 WeakPolarHBondContact O-CA 3.33Å; V59-Q248 PolarHBondContact O-NE2 3.21Å |
| 249 | S | 92.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 4% | 0.035 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -88.5 | 170.3 | 167.9 | 71.5 | 0 | 0 | 0 | 0 | 110.6 | V59 P60 L229 I247 | V59-S249 PolarHBondContact O-N 3.19Å; P60-S249 VanDerWaalsContact CD-OG 3.29Å; P60-S249 WeakPolarHBondContact CD-OG 3.48Å; P60-S249 PolarHBondContact O-OG 3.41Å; L229-S249 WeakPolarHBondContact O-CA 3.34Å; L229-S249 WeakPolarHBondContact O-CB 3.21Å; I247-S249 PolarHBondContact O-N 3.17Å |
| 250 | R | 90.3 | Very high | 93.4 | Very high | 57 Ų | 57 | 37.2 Ų | 37.2 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -58 | 161.5 | 165.4 | 70.2 | 166.2 | 177.9 | -144.5 | -31 | 111.5 | P60 T223 L224 D226 L229 I252 | P60-R250 WeakPolarHBondContact CG-O 3.24Å; T223-R250 PolarHBondContact O-NH1 2.8Å; T223-R250 PolarHBondContact O-NH2 3.36Å; L224-R250 PolarHBondContact O-NH2 3.42Å; D226-R250 PolarHBondContact O-NH1 3.37Å; L229-R250 HydrophobicContact CD2-CG 3.49Å; L229-R250 VanDerWaalsContact CD2-CG 3.49Å; L229-R250 VanDerWaalsContact CD2-NH2 3.34Å; L229-R250 PolarHBondContact O-N 2.73Å; R250-I252 WeakPolarHBondContact O-CG1 3.49Å; R250-I252 PolarHBondContact O-N 3.04Å |
| 251 | P | 88.8 | Confident | 93.5 | Very high | 83 Ų | 83 | 31.8 Ų | 31.8 | 54% | 0.539 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -57.1 | 137.5 | 170.6 | -23.7 | 34.6 | 0 | 0 | 0 | 111.7 | ||
| 252 | I | 88.3 | Confident | 93.6 | Very high | 26 Ų | 26 | 30.5 Ų | 30.5 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | trans | -127.8 | 125.3 | -177.7 | -65.4 | -174.8 | 0 | 0 | 0 | 108 | P60 A62 L224 L229 R250 V254 | P60-I252 HydrophobicContact CG-CB 4.16Å; P60-I252 HydrophobicContact CG-CG1 4.27Å; P60-I252 WeakPolarHBondContact O-CD1 3.15Å; A62-I252 HydrophobicContact CB-CD1 3.85Å; A62-I252 HydrophobicContact CB-CG2 3.82Å; L224-I252 HydrophobicContact CD2-CB 3.92Å; L224-I252 HydrophobicContact CD2-CD1 4.13Å; L224-I252 HydrophobicContact CD2-CG1 3.62Å; L224-I252 HydrophobicContact CD2-CG2 3.62Å; L229-I252 HydrophobicContact CD1-CD1 4.19Å; L229-I252 HydrophobicContact CD2-CD1 3.91Å; L229-I252 HydrophobicContact CD2-CG1 4.22Å; R250-I252 WeakPolarHBondContact O-CG1 3.49Å; R250-I252 PolarHBondContact O-N 3.04Å; I252-V254 HydrophobicContact CG2-CG2 3.57Å | ||
| 253 | S | 87.7 | Confident | 93.5 | Very high | 89 Ų | 89 | 30.5 Ų | 30.5 | 62% | 0.622 | 18% | 0.178 | S | C | * | . | trans | -114.5 | 130.2 | 171.5 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 254 | V | 89.8 | Confident | 93.5 | Very high | 18 Ų | 18 | 29.7 Ų | 29.7 | 11% | 0.109 | 17% | 0.174 | C | C | . | . | trans | -139.1 | 105.4 | -177.7 | -178.6 | 0 | 0 | 0 | 0 | 110 | P63 R194 A214 F216 E220 I252 | P63-V254 HydrophobicContact CG-CG1 4.01Å; R194-V254 PolarHBondContact NH1-O 2.85Å; R194-V254 PolarHBondContact NH2-O 3.24Å; A214-V254 HydrophobicContact CB-CG1 3.4Å; F216-V254 HydrophobicContact CD1-CG1 4.26Å; F216-V254 HydrophobicContact CD1-CG2 4.47Å; F216-V254 HydrophobicContact CE1-CB 4.18Å; F216-V254 HydrophobicContact CE1-CG1 3.73Å; F216-V254 HydrophobicContact CE1-CG2 3.57Å; F216-V254 HydrophobicContact CZ-CG1 4.16Å; F216-V254 HydrophobicContact CZ-CG2 4.24Å; E220-V254 WeakPolarHBondContact OE1-CA 3.31Å; I252-V254 HydrophobicContact CG2-CG2 3.57Å | ||
| 255 | S | 89.7 | Confident | 93.4 | Very high | 66 Ų | 66 | 32.8 Ų | 32.8 | 46% | 0.462 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -71.9 | -36.6 | -172.9 | 58.5 | 0 | 0 | 0 | 0 | 114.7 | E220 P257 | E220-S255 WeakPolarHBondContact OE1-CB 3.47Å; E220-S255 PolarHBondContact OE1-N 2.95Å; E220-S255 PolarHBondContact OE1-OG 2.93Å; E220-S255 PolarHBondContact OE2-OG 3.45Å; E220-S255 VanDerWaalsContact OE2-OG 3.12Å; S255-P257 WeakPolarHBondContact O-CD 3.42Å |
| 256 | S | 95.7 | Very high | 93.2 | Very high | 26 Ų | 26 | 33.3 Ų | 33.3 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | trans | -127.8 | 66.8 | -167.5 | -52.5 | 0 | 0 | 0 | 0 | 112.9 | A214 A215 | A214-S256 CarbonylContact C-O 3.48Å; A214-S256 WeakPolarHBondContact CA-O 3.39Å; A214-S256 WeakPolarHBondContact CB-O 3.49Å; A215-S256 PolarHBondContact N-O 3.15Å; A215-S256 WeakPolarHBondContact O-CB 3.33Å | ||
| 257 | P | 97 | Very high | 92.9 | Very high | 7 Ų | 7 | 43.1 Ų | 43.1 | 5% | 0.045 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 146.8 | 174.8 | 34 | -39.6 | 0 | 0 | 0 | 111.9 | R194 V211 S255 L282 D283 | R194-P257 VanDerWaalsContact CZ-CB 3.48Å; R194-P257 VanDerWaalsContact NH1-CG 3.35Å; V211-P257 HydrophobicContact CG1-CB 3.67Å; S255-P257 WeakPolarHBondContact O-CD 3.42Å; P257-L282 HydrophobicContact CB-CD2 3.61Å; P257-L282 HydrophobicContact CG-CD2 3.77Å; P257-D283 PolarHBondContact O-N 2.9Å |
| 258 | M | 97.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 147.4 | -174.8 | -59.6 | -177.3 | -61.2 | 0 | 0 | 112.2 | F66 D212 C213 A215 S284 V286 I301 | F66-M258 HydrophobicContact CB-CE 3.24Å; F66-M258 HydrophobicContact CD1-CE 3.97Å; F66-M258 HydrophobicContact CD2-CE 4.01Å; F66-M258 HydrophobicContact CG-CE 3.46Å; F66-M258 VanDerWaalsContact CG-CE 3.46Å; D212-M258 PolarHBondContact N-O 2.6Å; D212-M258 VanDerWaalsContact N-O 3.15Å; C213-M258 PolarHBondContact N-O 3.04Å; C213-M258 VanDerWaalsContact N-O 3.15Å; C213-M258 PolarHBondContact O-N 2.85Å; C213-M258 VanDerWaalsContact O-O 3.12Å; A215-M258 HydrophobicContact CB-CE 3.79Å; A215-M258 HydrophobicContact CB-SD 4.09Å; M258-S284 VanDerWaalsContact CA-O 3.24Å; M258-S284 WeakPolarHBondContact CA-O 3.46Å; M258-S284 WeakPolarHBondContact CG-OG 3.44Å; M258-S284 PolarHBondContact SD-OG 3.36Å; M258-S284 VanDerWaalsContact SD-OG 3.4Å; M258-V286 HydrophobicContact CB-CG2 4.49Å; M258-V286 HydrophobicContact CE-CG2 4.14Å; M258-V286 HydrophobicContact SD-CG2 3.97Å; M258-I301 HydrophobicContact SD-CG2 4.31Å |
| 259 | S | 96.9 | Very high | 92.8 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 11% | 0.112 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 161.6 | 162 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | D212 S284 M285 V286 | D212-S259 WeakPolarHBondContact OD2-CA 3.1Å; D212-S259 PolarHBondContact OD2-OG 3.4Å; S259-S284 PolarHBondContact N-O 2.82Å; S259-M285 CarbonylContact O-C 3.59Å; S259-M285 VanDerWaalsContact O-CA 3.26Å; S259-M285 WeakPolarHBondContact O-CA 3.22Å; S259-M285 WeakPolarHBondContact O-CG 3.38Å; S259-V286 PolarHBondContact O-N 3.42Å |
| 260 | S | 96.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.7 | 179 | 59.3 | 0 | 0 | 0 | 0 | 110.3 | K177 D212 V286 | K177-S260 WeakPolarHBondContact CG-OG 3.28Å; D212-S260 PolarHBondContact OD2-N 3Å; D212-S260 PolarHBondContact OD2-OG 2.9Å; S260-V286 VanDerWaalsContact CA-O 3.28Å; S260-V286 WeakPolarHBondContact CA-O 3.26Å |
| 261 | S | 95.9 | Very high | 92.8 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | -177.2 | 168.5 | -170.6 | 0 | 0 | 0 | 0 | 108 | D173 L176 V286 L287 G288 | D173-S261 VanDerWaalsContact OD1-CA 3.24Å; D173-S261 WeakPolarHBondContact OD1-CA 3.32Å; D173-S261 PolarHBondContact OD1-OG 2.98Å; D173-S261 PolarHBondContact OD2-OG 3.4Å; L176-S261 VanDerWaalsContact CD2-O 3.26Å; L176-S261 WeakPolarHBondContact CD2-O 3.49Å; S261-V286 PolarHBondContact N-O 2.69Å; S261-V286 VanDerWaalsContact N-O 3.08Å; S261-L287 WeakPolarHBondContact O-CA 3.3Å; S261-G288 PolarHBondContact O-N 2.73Å |
| 262 | T | 95.8 | Very high | 92.9 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 154.9 | -175.2 | 58.6 | 0 | 0 | 0 | 0 | 108.2 | F172 D173 L176 G288 W290 F296 | F172-T262 HydrophobicContact CB-CG2 4.02Å; D173-T262 WeakPolarHBondContact OD1-CB 3.29Å; D173-T262 PolarHBondContact OD1-N 2.9Å; D173-T262 PolarHBondContact OD1-OG1 3.33Å; L176-T262 HydrophobicContact CB-CG2 3.62Å; L176-T262 HydrophobicContact CD2-CG2 3.52Å; L176-T262 HydrophobicContact CG-CG2 4.08Å; T262-G288 CarbonylContact C-O 3.55Å; T262-G288 WeakPolarHBondContact CA-O 3.31Å; T262-W290 WeakPolarHBondContact OG1-CZ3 3.39Å; T262-F296 HydrophobicContact CG2-CE1 3.8Å; T262-F296 HydrophobicContact CG2-CZ 4.14Å |
| 263 | S | 94.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 44.5 Ų | 44.5 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 147.9 | 167.9 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | D265 G288 W289 W290 | S263-D265 PolarHBondContact O-N 2.81Å; S263-G288 PolarHBondContact N-O 2.89Å; S263-W289 WeakPolarHBondContact O-CA 3.45Å; S263-W290 PolarHBondContact O-N 2.8Å; S263-W290 VanDerWaalsContact O-N 3.15Å |
| 264 | P | 93.7 | Very high | 93.7 | Very high | 48 Ų | 48 | 40.4 Ų | 40.4 | 31% | 0.312 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 134.4 | 170.6 | -13.9 | 24.7 | 0 | 0 | 0 | 110.9 | R267 W290 | P264-R267 HydrophobicContact CB-CB 4.42Å; P264-R267 HydrophobicContact CB-CG 3.85Å; P264-R267 HydrophobicContact CG-CG 4.43Å; P264-W290 HydrophobicContact CB-CZ2 4.24Å; P264-W290 HydrophobicContact CG-CH2 4.01Å; P264-W290 HydrophobicContact CG-CZ2 3.47Å; P264-W290 VanDerWaalsContact CG-CZ2 3.47Å |
| 265 | D | 93.1 | Very high | 94 | Very high | 65 Ų | 65 | 39.8 Ų | 39.8 | 35% | 0.348 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 146.4 | 176 | -164.3 | 12.3 | 0 | 0 | 0 | 110.8 | S263 R267 W289 W290 T291 K297 | S263-D265 PolarHBondContact O-N 2.81Å; D265-R267 PolarHBondContact O-N 2.9Å; D265-W289 HydrophobicContact CB-CB 4.38Å; D265-W290 WeakPolarHBondContact CB-O 3.25Å; D265-W290 PolarHBondContact N-O 3.33Å; D265-T291 HydrophobicContact CB-CG2 4.48Å; D265-K297 IonicContact OD2-NZ 3.9Å; D265-K297 PolarHBondContact OD2-NZ 2.96Å |
| 266 | G | 90.9 | Very high | 94.4 | Very high | 71 Ų | 71 | 37.7 Ų | 37.7 | 73% | 0.732 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | -2.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | G268 | G266-G268 VanDerWaalsContact C-N 3.31Å; G266-G268 PolarHBondContact O-N 2.82Å |
| 267 | R | 89.3 | Confident | 94.5 | Very high | 214 Ų | 214 | 36.5 Ų | 36.5 | 81% | 0.808 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -87.6 | 7.3 | 177.4 | -67.4 | -66.6 | -168.1 | 164.9 | 2.9 | 114.7 | P264 D265 | P264-R267 HydrophobicContact CB-CB 4.42Å; P264-R267 HydrophobicContact CB-CG 3.85Å; P264-R267 HydrophobicContact CG-CG 4.43Å; D265-R267 PolarHBondContact O-N 2.9Å |
| 268 | G | 91.1 | Very high | 94.5 | Very high | 46 Ų | 46 | 36.8 Ų | 36.8 | 47% | 0.474 | 21% | 0.213 | S | C | . | . | trans | 87 | 175 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G266 | G266-G268 VanDerWaalsContact C-N 3.31Å; G266-G268 PolarHBondContact O-N 2.82Å | ||
| 269 | F | 93.6 | Very high | 94.5 | Very high | 44 Ų | 44 | 36.8 Ų | 36.8 | 19% | 0.193 | 21% | 0.213 | C | C | . | . | trans | -77.1 | 129.8 | -176.2 | -169.9 | -94.3 | 0 | 0 | 0 | 111.6 | T271 V273 L287 W289 Y302 V307 L310 V311 | F269-T271 PolarHBondContact O-N 2.79Å; F269-T271 VanDerWaalsContact O-N 3.16Å; F269-V273 HydrophobicContact CE1-CB 3.81Å; F269-V273 HydrophobicContact CE1-CG1 4.13Å; F269-V273 HydrophobicContact CE1-CG2 4.27Å; F269-V273 HydrophobicContact CZ-CB 3.98Å; F269-V273 HydrophobicContact CZ-CG1 3.87Å; F269-V273 HydrophobicContact CZ-CG2 4.24Å; F269-L287 HydrophobicContact CE2-CD2 4.36Å; F269-W289 HydrophobicContact CD2-CH2 4.33Å; F269-W289 HydrophobicContact CD2-CZ2 4.16Å; F269-Y302 HydrophobicContact CE2-CD1 4.23Å; F269-Y302 HydrophobicContact CE2-CD2 4.29Å; F269-Y302 HydrophobicContact CE2-CE1 4.04Å; F269-Y302 HydrophobicContact CE2-CE2 4.08Å; F269-Y302 HydrophobicContact CE2-CG 4.35Å; F269-Y302 AromaticContact CE2-CZ 3.95Å; F269-V307 HydrophobicContact CE1-CG1 3.62Å; F269-V307 HydrophobicContact CE1-CG2 4.32Å; F269-V307 HydrophobicContact CZ-CB 4.47Å; F269-V307 HydrophobicContact CZ-CG1 4.04Å; F269-V307 HydrophobicContact CZ-CG2 3.87Å; F269-L310 HydrophobicContact CD2-CD1 3.71Å; F269-L310 HydrophobicContact CE2-CD1 3.68Å; F269-L310 HydrophobicContact CG-CB 4.4Å; F269-L310 HydrophobicContact CG-CD1 4.37Å; F269-L310 HydrophobicContact CZ-CD1 4.31Å; F269-V311 HydrophobicContact CD1-CG2 4.07Å; F269-V311 HydrophobicContact CE1-CG2 4.34Å | ||
| 270 | P | 92.9 | Very high | 94.6 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 10% | 0.097 | 21% | 0.208 | C | C | . | . | trans | -63.6 | 116.3 | -178.6 | 21.5 | -31.6 | 0 | 0 | 0 | 111.9 | F272 V273 L287 W289 | P270-F272 HydrophobicContact CB-CD1 3.74Å; P270-F272 HydrophobicContact CB-CE1 3.41Å; P270-F272 VanDerWaalsContact CB-CE1 3.41Å; P270-F272 HydrophobicContact CB-CZ 4.14Å; P270-F272 HydrophobicContact CG-CE1 4.35Å; P270-F272 PolarHBondContact O-N 3.03Å; P270-V273 HydrophobicContact CB-CG2 4.03Å; P270-V273 HydrophobicContact CG-CG2 3.62Å; P270-V273 WeakPolarHBondContact O-CG2 3.46Å; P270-V273 PolarHBondContact O-N 2.96Å; P270-L287 HydrophobicContact CG-CD1 4.18Å; P270-L287 HydrophobicContact CG-CD2 3.59Å; P270-W289 HydrophobicContact CG-CH2 4.5Å | ||
| 271 | T | 89.3 | Confident | 94.6 | Very high | 87 Ų | 87 | 37.9 Ų | 37.9 | 53% | 0.534 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -16.1 | -172.1 | 66 | 0 | 0 | 0 | 0 | 114.6 | F269 V273 P275 | F269-T271 PolarHBondContact O-N 2.79Å; F269-T271 VanDerWaalsContact O-N 3.16Å; T271-V273 VanDerWaalsContact C-N 3.3Å; T271-V273 PolarHBondContact O-N 3.09Å; T271-P275 VanDerWaalsContact O-CD 3.29Å; T271-P275 WeakPolarHBondContact O-CD 3.31Å |
| 272 | F | 92.1 | Very high | 94.7 | Very high | 83 Ų | 83 | 37.8 Ų | 37.8 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -19.8 | 177.5 | 72.8 | -98.5 | 0 | 0 | 0 | 113.3 | P270 W274 P275 L276 M285 | P270-F272 HydrophobicContact CB-CD1 3.74Å; P270-F272 HydrophobicContact CB-CE1 3.41Å; P270-F272 VanDerWaalsContact CB-CE1 3.41Å; P270-F272 HydrophobicContact CB-CZ 4.14Å; P270-F272 HydrophobicContact CG-CE1 4.35Å; P270-F272 PolarHBondContact O-N 3.03Å; F272-W274 VanDerWaalsContact C-N 3.31Å; F272-W274 PolarHBondContact O-N 3.08Å; F272-P275 WeakPolarHBondContact O-CD 3.39Å; F272-P275 VanDerWaalsContact O-CG 3.28Å; F272-P275 WeakPolarHBondContact O-CG 3.4Å; F272-L276 WeakPolarHBondContact O-CB 3.07Å; F272-L276 PolarHBondContact O-N 3.26Å; F272-L276 VanDerWaalsContact O-N 3.17Å; F272-M285 HydrophobicContact CE2-CE 3.72Å; F272-M285 HydrophobicContact CZ-CE 4.18Å |
| 273 | V | 96.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -38.1 | -177.1 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | F269 P270 T271 L277 M285 V307 | F269-V273 HydrophobicContact CE1-CB 3.81Å; F269-V273 HydrophobicContact CE1-CG1 4.13Å; F269-V273 HydrophobicContact CE1-CG2 4.27Å; F269-V273 HydrophobicContact CZ-CB 3.98Å; F269-V273 HydrophobicContact CZ-CG1 3.87Å; F269-V273 HydrophobicContact CZ-CG2 4.24Å; P270-V273 HydrophobicContact CB-CG2 4.03Å; P270-V273 HydrophobicContact CG-CG2 3.62Å; P270-V273 WeakPolarHBondContact O-CG2 3.46Å; P270-V273 PolarHBondContact O-N 2.96Å; T271-V273 VanDerWaalsContact C-N 3.3Å; T271-V273 PolarHBondContact O-N 3.09Å; V273-L277 HydrophobicContact CG1-CD1 3.99Å; V273-L277 HydrophobicContact CG1-CG 4.39Å; V273-L277 PolarHBondContact O-N 3.01Å; V273-M285 HydrophobicContact CB-SD 4.05Å; V273-M285 HydrophobicContact CG1-SD 3.62Å; V273-M285 HydrophobicContact CG2-CE 4.15Å; V273-M285 HydrophobicContact CG2-SD 3.62Å; V273-V307 HydrophobicContact CG1-CG1 4.46Å; V273-V307 HydrophobicContact CG1-CG2 3.88Å |
| 274 | W | 96.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.011 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -56.5 | 179.9 | -171.4 | 96.3 | 0 | 0 | 0 | 112.7 | F131 F272 L276 L277 F278 V307 N308 P315 Y316 L319 | F131-W274 HydrophobicContact CE2-CE3 4.05Å; F131-W274 AromaticContact CE2-CZ3 3.69Å; F131-W274 HydrophobicContact CE2-CZ3 3.69Å; F131-W274 AromaticContact CZ-CE3 3.9Å; F131-W274 HydrophobicContact CZ-CE3 3.9Å; F131-W274 HydrophobicContact CZ-CZ3 4.01Å; F272-W274 VanDerWaalsContact C-N 3.31Å; F272-W274 PolarHBondContact O-N 3.08Å; W274-L276 VanDerWaalsContact C-N 3.3Å; W274-L276 PolarHBondContact O-N 3.28Å; W274-L277 PolarHBondContact O-N 3.04Å; W274-F278 HydrophobicContact CE3-CB 4.19Å; W274-F278 HydrophobicContact CH2-CB 4.06Å; W274-F278 HydrophobicContact CH2-CD1 4.3Å; W274-F278 AromaticContact CH2-CD2 3.58Å; W274-F278 HydrophobicContact CH2-CD2 3.58Å; W274-F278 HydrophobicContact CH2-CE2 4.09Å; W274-F278 AromaticContact CH2-CG 3.7Å; W274-F278 HydrophobicContact CH2-CG 3.7Å; W274-F278 HydrophobicContact CZ2-CB 4.46Å; W274-F278 AromaticContact CZ2-CD2 3.84Å; W274-F278 HydrophobicContact CZ2-CD2 3.84Å; W274-F278 HydrophobicContact CZ2-CE2 4.45Å; W274-F278 HydrophobicContact CZ2-CG 4.28Å; W274-F278 HydrophobicContact CZ3-CB 3.91Å; W274-F278 HydrophobicContact CZ3-CD1 4.36Å; W274-F278 HydrophobicContact CZ3-CD2 4.27Å; W274-F278 AromaticContact CZ3-CG 3.92Å; W274-F278 HydrophobicContact CZ3-CG 3.92Å; W274-F278 VanDerWaalsContact O-CB 3.32Å; W274-F278 WeakPolarHBondContact O-CB 3.42Å; W274-F278 PolarHBondContact O-N 3.32Å; W274-V307 HydrophobicContact CB-CG1 3.91Å; W274-V307 HydrophobicContact CG-CG1 4.34Å; W274-N308 PolarHBondContact NE1-OD1 3.35Å; W274-P315 HydrophobicContact CD2-CG 3.55Å; W274-P315 HydrophobicContact CE3-CG 3.41Å; W274-P315 VanDerWaalsContact CE3-CG 3.41Å; W274-P315 HydrophobicContact CG-CG 4.21Å; W274-P315 HydrophobicContact CH2-CG 4.06Å; W274-P315 HydrophobicContact CZ2-CG 4.14Å; W274-P315 HydrophobicContact CZ3-CG 3.71Å; W274-Y316 HydrophobicContact CZ2-CD1 4.46Å; W274-Y316 HydrophobicContact CZ2-CE1 4.09Å; W274-L319 HydrophobicContact CH2-CD2 4.2Å |
| 275 | P | 96.2 | Very high | 95.1 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.032 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.5 | -33.4 | 179.6 | 25.1 | -34.6 | 0 | 0 | 0 | 112.3 | F131 T271 F272 F278 F279 | F131-P275 HydrophobicContact CB-CB 4.29Å; F131-P275 HydrophobicContact CD1-CB 3.66Å; F131-P275 HydrophobicContact CD1-CG 3.73Å; F131-P275 HydrophobicContact CD2-CB 4.07Å; F131-P275 HydrophobicContact CE1-CB 3.88Å; F131-P275 HydrophobicContact CE1-CG 3.77Å; F131-P275 HydrophobicContact CE2-CB 4.27Å; F131-P275 HydrophobicContact CG-CB 3.75Å; F131-P275 HydrophobicContact CG-CG 4.33Å; F131-P275 HydrophobicContact CZ-CB 4.15Å; F131-P275 HydrophobicContact CZ-CG 4.38Å; T271-P275 VanDerWaalsContact O-CD 3.29Å; T271-P275 WeakPolarHBondContact O-CD 3.31Å; F272-P275 WeakPolarHBondContact O-CD 3.39Å; F272-P275 VanDerWaalsContact O-CG 3.28Å; F272-P275 WeakPolarHBondContact O-CG 3.4Å; P275-F278 PolarHBondContact O-N 3.25Å; P275-F279 HydrophobicContact CB-CD2 4.08Å; P275-F279 HydrophobicContact CB-CE2 4.02Å; P275-F279 WeakPolarHBondContact O-CB 3.32Å; P275-F279 WeakPolarHBondContact O-CD2 3.35Å; P275-F279 PolarHBondContact O-N 3.14Å |
| 276 | L | 96.3 | Very high | 95.3 | Very high | 21 Ų | 21 | 34 Ų | 34 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.6 | -58.3 | 173.5 | 178.3 | 71.4 | 0 | 0 | 0 | 110.7 | F272 W274 F278 S280 M285 | F272-L276 WeakPolarHBondContact O-CB 3.07Å; F272-L276 PolarHBondContact O-N 3.26Å; F272-L276 VanDerWaalsContact O-N 3.17Å; W274-L276 VanDerWaalsContact C-N 3.3Å; W274-L276 PolarHBondContact O-N 3.28Å; L276-F278 VanDerWaalsContact C-N 3.32Å; L276-F278 PolarHBondContact O-N 2.88Å; L276-S280 WeakPolarHBondContact O-CB 3.41Å; L276-S280 PolarHBondContact O-N 3.47Å; L276-S280 PolarHBondContact O-OG 3.44Å; L276-M285 HydrophobicContact CD2-CE 4.09Å; L276-M285 HydrophobicContact CD2-SD 3.68Å |
| 277 | L | 98 | Very high | 95.6 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.8 | -38.3 | -179.8 | -74.4 | 178.8 | 0 | 0 | 0 | 112.5 | V273 W274 T281 L282 M285 L304 V307 | V273-L277 HydrophobicContact CG1-CD1 3.99Å; V273-L277 HydrophobicContact CG1-CG 4.39Å; V273-L277 PolarHBondContact O-N 3.01Å; W274-L277 PolarHBondContact O-N 3.04Å; L277-T281 PolarHBondContact O-N 3.07Å; L277-L282 HydrophobicContact CD2-CB 4.2Å; L277-M285 HydrophobicContact CD1-CB 4.29Å; L277-M285 HydrophobicContact CD2-CB 3.92Å; L277-M285 HydrophobicContact CG-CB 4.25Å; L277-L304 HydrophobicContact CB-CB 4.35Å; L277-L304 HydrophobicContact CB-CD1 4.07Å; L277-V307 HydrophobicContact CD1-CG2 3.86Å |
| 278 | F | 98.1 | Very high | 95.9 | Very high | 13 Ų | 13 | 20.4 Ų | 20.4 | 6% | 0.057 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.8 | -53.8 | 179.4 | -176.4 | -89.6 | 0 | 0 | 0 | 112 | L32 L200 W274 P275 L276 L304 L319 | L32-F278 HydrophobicContact CD1-CE1 4.28Å; L32-F278 WeakPolarHBondContact CD1-O 3.42Å; L32-F278 HydrophobicContact CD2-CE1 3.77Å; L32-F278 HydrophobicContact CD2-CZ 3.89Å; L32-F278 HydrophobicContact CG-CE1 3.87Å; L32-F278 HydrophobicContact CG-CE2 4.39Å; L32-F278 HydrophobicContact CG-CZ 3.77Å; L200-F278 HydrophobicContact CD1-CE1 4.31Å; L200-F278 HydrophobicContact CD1-CZ 4.43Å; W274-F278 HydrophobicContact CE3-CB 4.19Å; W274-F278 HydrophobicContact CH2-CB 4.06Å; W274-F278 HydrophobicContact CH2-CD1 4.3Å; W274-F278 AromaticContact CH2-CD2 3.58Å; W274-F278 HydrophobicContact CH2-CD2 3.58Å; W274-F278 HydrophobicContact CH2-CE2 4.09Å; W274-F278 AromaticContact CH2-CG 3.7Å; W274-F278 HydrophobicContact CH2-CG 3.7Å; W274-F278 HydrophobicContact CZ2-CB 4.46Å; W274-F278 AromaticContact CZ2-CD2 3.84Å; W274-F278 HydrophobicContact CZ2-CD2 3.84Å; W274-F278 HydrophobicContact CZ2-CE2 4.45Å; W274-F278 HydrophobicContact CZ2-CG 4.28Å; W274-F278 HydrophobicContact CZ3-CB 3.91Å; W274-F278 HydrophobicContact CZ3-CD1 4.36Å; W274-F278 HydrophobicContact CZ3-CD2 4.27Å; W274-F278 AromaticContact CZ3-CG 3.92Å; W274-F278 HydrophobicContact CZ3-CG 3.92Å; W274-F278 VanDerWaalsContact O-CB 3.32Å; W274-F278 WeakPolarHBondContact O-CB 3.42Å; W274-F278 PolarHBondContact O-N 3.32Å; P275-F278 PolarHBondContact O-N 3.25Å; L276-F278 VanDerWaalsContact C-N 3.32Å; L276-F278 PolarHBondContact O-N 2.88Å; F278-L304 HydrophobicContact CD2-CD2 4.34Å; F278-L319 HydrophobicContact CD1-CD1 4.21Å; F278-L319 HydrophobicContact CE1-CD1 3.59Å; F278-L319 HydrophobicContact CE1-CD2 3.78Å; F278-L319 HydrophobicContact CE1-CG 4.36Å; F278-L319 HydrophobicContact CE2-CD2 3.96Å; F278-L319 HydrophobicContact CZ-CD1 4.12Å; F278-L319 HydrophobicContact CZ-CD2 3.4Å; F278-L319 HydrophobicContact CZ-CG 4.41Å |
| 279 | F | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -79.5 | -26.5 | -174.3 | -68.1 | -60.1 | 0 | 0 | 0 | 114 | L127 F131 Y198 P275 L319 V322 | L127-F279 HydrophobicContact CB-CB 4.11Å; L127-F279 HydrophobicContact CB-CD1 4.02Å; L127-F279 HydrophobicContact CB-CD2 3.88Å; L127-F279 HydrophobicContact CB-CE1 4.42Å; L127-F279 HydrophobicContact CB-CE2 4.32Å; L127-F279 HydrophobicContact CB-CG 3.74Å; L127-F279 HydrophobicContact CD1-CB 3.99Å; L127-F279 HydrophobicContact CD1-CD1 3.86Å; L127-F279 HydrophobicContact CD1-CG 4.06Å; L127-F279 HydrophobicContact CG-CD1 4.46Å; F131-F279 HydrophobicContact CB-CE2 3.94Å; F131-F279 AromaticContact CD2-CE2 3.8Å; F131-F279 HydrophobicContact CD2-CE2 3.8Å; F131-F279 HydrophobicContact CD2-CZ 4.11Å; F131-F279 HydrophobicContact CG-CE2 4.16Å; Y198-F279 WeakPolarHBondContact CE1-O 3.14Å; Y198-F279 PolarHBondContact OH-O 2.7Å; P275-F279 HydrophobicContact CB-CD2 4.08Å; P275-F279 HydrophobicContact CB-CE2 4.02Å; P275-F279 WeakPolarHBondContact O-CB 3.32Å; P275-F279 WeakPolarHBondContact O-CD2 3.35Å; P275-F279 PolarHBondContact O-N 3.14Å; F279-L319 HydrophobicContact CE1-CD1 3.86Å; F279-L319 HydrophobicContact CZ-CD1 3.69Å; F279-V322 HydrophobicContact CZ-CG1 4.11Å |
| 280 | S | 98 | Very high | 96.2 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -81.6 | -20.4 | -179.4 | 65.9 | 0 | 0 | 0 | 0 | 113.3 | L276 L282 | L276-S280 WeakPolarHBondContact O-CB 3.41Å; L276-S280 PolarHBondContact O-N 3.47Å; L276-S280 PolarHBondContact O-OG 3.44Å; S280-L282 PolarHBondContact O-N 2.88Å; S280-L282 VanDerWaalsContact O-N 3.14Å; S280-L282 WeakPolarHBondContact OG-CD1 3.31Å; S280-L282 VanDerWaalsContact OG-CG 3.3Å; S280-L282 WeakPolarHBondContact OG-CG 3.49Å; S280-L282 PolarHBondContact OG-N 3.46Å |
| 281 | T | 97.3 | Very high | 96.2 | Very high | 40 Ų | 40 | 21.2 Ų | 21.2 | 25% | 0.245 | 11% | 0.111 | C | C | . | . | trans | 57.9 | 19 | -173.2 | 70.3 | 0 | 0 | 0 | 0 | 114.2 | L32 I35 Y198 L277 | L32-T281 HydrophobicContact CD1-CG2 3.76Å; I35-T281 HydrophobicContact CD1-CG2 4.05Å; I35-T281 HydrophobicContact CG1-CG2 4.36Å; I35-T281 HydrophobicContact CG2-CG2 3.99Å; Y198-T281 HydrophobicContact CD1-CG2 3.82Å; Y198-T281 HydrophobicContact CE1-CG2 4Å; L277-T281 PolarHBondContact O-N 3.07Å | ||
| 282 | L | 97.6 | Very high | 96 | Very high | 12 Ų | 12 | 25 Ų | 25 | 6% | 0.063 | 13% | 0.128 | C | C | . | . | trans | -64 | 148.4 | 173.8 | -64.6 | 171.8 | 0 | 0 | 0 | 110.6 | V209 V211 P257 L277 S280 S284 | V209-L282 HydrophobicContact CG1-CD1 4.26Å; V209-L282 HydrophobicContact CG1-CD2 4.21Å; V209-L282 HydrophobicContact CG1-CG 4.23Å; V211-L282 HydrophobicContact CG1-CD2 4.2Å; V211-L282 HydrophobicContact CG2-CD2 3.73Å; P257-L282 HydrophobicContact CB-CD2 3.61Å; P257-L282 HydrophobicContact CG-CD2 3.77Å; L277-L282 HydrophobicContact CD2-CB 4.2Å; S280-L282 PolarHBondContact O-N 2.88Å; S280-L282 VanDerWaalsContact O-N 3.14Å; S280-L282 WeakPolarHBondContact OG-CD1 3.31Å; S280-L282 VanDerWaalsContact OG-CG 3.3Å; S280-L282 WeakPolarHBondContact OG-CG 3.49Å; S280-L282 PolarHBondContact OG-N 3.46Å; L282-S284 VanDerWaalsContact C-N 3.33Å | ||
| 283 | D | 96.7 | Very high | 95.8 | Very high | 51 Ų | 51 | 27.8 Ų | 27.8 | 27% | 0.273 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -64.5 | -43.6 | 178.9 | 171.3 | 77.5 | 0 | 0 | 0 | 110.4 | P257 K303 | P257-D283 PolarHBondContact O-N 2.9Å; D283-K303 IonicContact OD1-NZ 2.8Å; D283-K303 PolarHBondContact OD1-NZ 3.09Å; D283-K303 IonicContact OD2-NZ 3.24Å; D283-K303 PolarHBondContact OD2-NZ 3.47Å |
| 284 | S | 97.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 168.7 | -175.1 | 43.7 | 0 | 0 | 0 | 0 | 113.6 | M258 S259 L282 I301 Y302 | M258-S284 VanDerWaalsContact CA-O 3.24Å; M258-S284 WeakPolarHBondContact CA-O 3.46Å; M258-S284 WeakPolarHBondContact CG-OG 3.44Å; M258-S284 PolarHBondContact SD-OG 3.36Å; M258-S284 VanDerWaalsContact SD-OG 3.4Å; S259-S284 PolarHBondContact N-O 2.82Å; L282-S284 VanDerWaalsContact C-N 3.33Å; S284-I301 VanDerWaalsContact CB-CG2 3.46Å; S284-I301 WeakPolarHBondContact OG-CG2 3.26Å; S284-Y302 CarbonylContact C-O 3.49Å; S284-Y302 WeakPolarHBondContact CA-O 3.22Å; S284-Y302 VanDerWaalsContact CB-O 3.28Å; S284-Y302 WeakPolarHBondContact CB-O 3.5Å |
| 285 | M | 97.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132.4 | 172.9 | -176.8 | -177 | 178.1 | 0 | 0 | 109.8 | S259 F272 V273 L276 L277 L287 I301 Y302 | S259-M285 CarbonylContact O-C 3.59Å; S259-M285 VanDerWaalsContact O-CA 3.26Å; S259-M285 WeakPolarHBondContact O-CA 3.22Å; S259-M285 WeakPolarHBondContact O-CG 3.38Å; F272-M285 HydrophobicContact CE2-CE 3.72Å; F272-M285 HydrophobicContact CZ-CE 4.18Å; V273-M285 HydrophobicContact CB-SD 4.05Å; V273-M285 HydrophobicContact CG1-SD 3.62Å; V273-M285 HydrophobicContact CG2-CE 4.15Å; V273-M285 HydrophobicContact CG2-SD 3.62Å; L276-M285 HydrophobicContact CD2-CE 4.09Å; L276-M285 HydrophobicContact CD2-SD 3.68Å; L277-M285 HydrophobicContact CD1-CB 4.29Å; L277-M285 HydrophobicContact CD2-CB 3.92Å; L277-M285 HydrophobicContact CG-CB 4.25Å; M285-L287 HydrophobicContact CE-CD1 4.25Å; M285-I301 WeakPolarHBondContact O-CA 3.15Å; M285-Y302 PolarHBondContact N-O 2.88Å; M285-Y302 PolarHBondContact O-N 3.39Å |
| 286 | V | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 121.6 | 171.5 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | F66 M258 S259 S260 S261 P299 I301 | F66-V286 HydrophobicContact CD2-CG2 3.89Å; F66-V286 HydrophobicContact CE2-CB 4.32Å; F66-V286 HydrophobicContact CE2-CG1 3.77Å; F66-V286 HydrophobicContact CE2-CG2 3.65Å; F66-V286 HydrophobicContact CZ-CG1 4.22Å; F66-V286 HydrophobicContact CZ-CG2 4.2Å; M258-V286 HydrophobicContact CB-CG2 4.49Å; M258-V286 HydrophobicContact CE-CG2 4.14Å; M258-V286 HydrophobicContact SD-CG2 3.97Å; S259-V286 PolarHBondContact O-N 3.42Å; S260-V286 VanDerWaalsContact CA-O 3.28Å; S260-V286 WeakPolarHBondContact CA-O 3.26Å; S261-V286 PolarHBondContact N-O 2.69Å; S261-V286 VanDerWaalsContact N-O 3.08Å; V286-P299 HydrophobicContact CG1-CB 3.66Å; V286-I301 HydrophobicContact CG2-CG1 4.29Å |
| 287 | L | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 117.7 | 177.8 | -167.2 | 67.1 | 0 | 0 | 0 | 110.7 | S261 F269 P270 M285 W289 P299 V300 Y302 | S261-L287 WeakPolarHBondContact O-CA 3.3Å; F269-L287 HydrophobicContact CE2-CD2 4.36Å; P270-L287 HydrophobicContact CG-CD1 4.18Å; P270-L287 HydrophobicContact CG-CD2 3.59Å; M285-L287 HydrophobicContact CE-CD1 4.25Å; L287-W289 HydrophobicContact CD2-CD2 4.29Å; L287-W289 VanDerWaalsContact CD2-CE2 3.47Å; L287-W289 HydrophobicContact CD2-CH2 3.89Å; L287-W289 HydrophobicContact CD2-CZ2 3.25Å; L287-W289 HydrophobicContact CG-CZ2 4.32Å; L287-P299 WeakPolarHBondContact O-CA 3.47Å; L287-V300 PolarHBondContact N-O 2.93Å; L287-V300 PolarHBondContact O-N 2.93Å; L287-Y302 HydrophobicContact CB-CD2 3.97Å; L287-Y302 HydrophobicContact CB-CE2 3.86Å; L287-Y302 HydrophobicContact CD2-CD2 4.4Å; L287-Y302 HydrophobicContact CD2-CE2 3.93Å |
| 288 | G | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 123.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S261 T262 S263 | S261-G288 PolarHBondContact O-N 2.73Å; T262-G288 CarbonylContact C-O 3.55Å; T262-G288 WeakPolarHBondContact CA-O 3.31Å; S263-G288 PolarHBondContact N-O 2.89Å |
| 289 | W | 96.1 | Very high | 95.1 | Very high | 29 Ų | 29 | 42.1 Ų | 42.1 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.3 | 178.6 | -64.5 | 96.2 | 0 | 0 | 0 | 111.3 | S263 D265 F269 P270 L287 F296 K297 Y302 | S263-W289 WeakPolarHBondContact O-CA 3.45Å; D265-W289 HydrophobicContact CB-CB 4.38Å; F269-W289 HydrophobicContact CD2-CH2 4.33Å; F269-W289 HydrophobicContact CD2-CZ2 4.16Å; P270-W289 HydrophobicContact CG-CH2 4.5Å; L287-W289 HydrophobicContact CD2-CD2 4.29Å; L287-W289 VanDerWaalsContact CD2-CE2 3.47Å; L287-W289 HydrophobicContact CD2-CH2 3.89Å; L287-W289 HydrophobicContact CD2-CZ2 3.25Å; L287-W289 HydrophobicContact CG-CZ2 4.32Å; W289-F296 VanDerWaalsContact O-CA 3.31Å; W289-F296 WeakPolarHBondContact O-CA 3.32Å; W289-K297 PolarHBondContact O-N 2.66Å; W289-Y302 AromaticContact NE1-CE2 3.99Å; W289-Y302 PolarHBondContact NE1-OH 2.76Å |
| 290 | W | 94.4 | Very high | 95.1 | Very high | 37 Ų | 37 | 44.8 Ų | 44.8 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 148.5 | -177.4 | 75 | 88.2 | 0 | 0 | 0 | 113.9 | F172 T262 S263 P264 D265 T295 F296 | F172-W290 AromaticContact CD2-CD2 3.7Å; F172-W290 HydrophobicContact CD2-CD2 3.7Å; F172-W290 AromaticContact CD2-CE2 3.77Å; F172-W290 AromaticContact CD2-CE3 3.94Å; F172-W290 HydrophobicContact CD2-CE3 3.94Å; F172-W290 HydrophobicContact CD2-CG 4.1Å; F172-W290 HydrophobicContact CD2-CH2 4.26Å; F172-W290 HydrophobicContact CD2-CZ2 4.06Å; F172-W290 HydrophobicContact CD2-CZ3 4.17Å; F172-W290 AromaticContact CE2-CD1 3.87Å; F172-W290 AromaticContact CE2-CD2 3.98Å; F172-W290 HydrophobicContact CE2-CD2 3.98Å; F172-W290 AromaticContact CE2-CE2 3.74Å; F172-W290 HydrophobicContact CE2-CG 4.06Å; F172-W290 HydrophobicContact CE2-CZ2 4.21Å; F172-W290 AromaticContact CE2-NE1 3.7Å; T262-W290 WeakPolarHBondContact OG1-CZ3 3.39Å; S263-W290 PolarHBondContact O-N 2.8Å; S263-W290 VanDerWaalsContact O-N 3.15Å; P264-W290 HydrophobicContact CB-CZ2 4.24Å; P264-W290 HydrophobicContact CG-CH2 4.01Å; P264-W290 HydrophobicContact CG-CZ2 3.47Å; P264-W290 VanDerWaalsContact CG-CZ2 3.47Å; D265-W290 WeakPolarHBondContact CB-O 3.25Å; D265-W290 PolarHBondContact N-O 3.33Å; W290-T295 WeakPolarHBondContact CA-O 3.38Å; W290-F296 HydrophobicContact CB-CD1 4.08Å; W290-F296 HydrophobicContact CB-CD2 3.94Å; W290-F296 HydrophobicContact CB-CE1 3.73Å; W290-F296 HydrophobicContact CB-CE2 3.56Å; W290-F296 HydrophobicContact CB-CG 4.18Å; W290-F296 HydrophobicContact CB-CZ 3.45Å; W290-F296 VanDerWaalsContact CB-CZ 3.45Å; W290-F296 HydrophobicContact CD2-CZ 4.2Å; W290-F296 AromaticContact CE3-CE1 3.97Å; W290-F296 HydrophobicContact CE3-CE1 3.97Å; W290-F296 AromaticContact CE3-CZ 3.89Å; W290-F296 HydrophobicContact CE3-CZ 3.89Å; W290-F296 HydrophobicContact CG-CE2 4.44Å; W290-F296 HydrophobicContact CG-CZ 4.09Å |
| 291 | T | 91.9 | Very high | 95 | Very high | 56 Ų | 56 | 48 Ų | 48 | 34% | 0.344 | 24% | 0.243 | S | C | . | . | trans | -99.5 | 173.3 | 171.1 | 67.8 | 0 | 0 | 0 | 0 | 111 | D265 Q293 N294 T295 | D265-T291 HydrophobicContact CB-CG2 4.48Å; T291-Q293 PolarHBondContact O-N 2.9Å; T291-N294 PolarHBondContact O-N 3.47Å; T291-T295 PolarHBondContact N-O 2.86Å; T291-T295 PolarHBondContact OG1-O 3.21Å | ||
| 292 | D | 85.5 | Confident | 95.1 | Very high | 166 Ų | 166 | 47.8 Ų | 47.8 | 89% | 0.888 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -9.1 | -180 | -59.8 | -26.5 | 0 | 0 | 0 | 115 | ||
| 293 | Q | 87.3 | Confident | 95.1 | Very high | 142 Ų | 142 | 51.5 Ų | 51.5 | 66% | 0.664 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 21.8 | 174.6 | -61.7 | -174.6 | -0.6 | 0 | 0 | 113.1 | T291 T295 | T291-Q293 PolarHBondContact O-N 2.9Å; Q293-T295 PolarHBondContact O-N 3.06Å; Q293-T295 PolarHBondContact O-OG1 2.8Å; Q293-T295 VanDerWaalsContact O-OG1 3.09Å |
| 294 | N | 90.7 | Very high | 95.1 | Very high | 52 Ų | 52 | 51.3 Ų | 51.3 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 52.5 | 28.9 | -175.8 | -57.5 | -1.2 | 0 | 0 | 0 | 112.6 | K73 L74 F172 T291 | K73-N294 WeakPolarHBondContact CA-O 3.34Å; L74-N294 PolarHBondContact N-O 2.83Å; F172-N294 HydrophobicContact CE1-CB 3.76Å; F172-N294 HydrophobicContact CZ-CB 3.91Å; F172-N294 WeakPolarHBondContact CZ-OD1 3.13Å; T291-N294 PolarHBondContact O-N 3.47Å |
| 295 | T | 95.1 | Very high | 95 | Very high | 44 Ų | 44 | 55.1 Ų | 55.1 | 27% | 0.27 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 124 | -176.5 | -59.7 | 0 | 0 | 0 | 0 | 108.8 | W290 T291 Q293 | W290-T295 WeakPolarHBondContact CA-O 3.38Å; T291-T295 PolarHBondContact N-O 2.86Å; T291-T295 PolarHBondContact OG1-O 3.21Å; Q293-T295 PolarHBondContact O-N 3.06Å; Q293-T295 PolarHBondContact O-OG1 2.8Å; Q293-T295 VanDerWaalsContact O-OG1 3.09Å |
| 296 | F | 96.7 | Very high | 95 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 138 | 179.3 | -72.6 | -105 | 0 | 0 | 0 | 110.9 | W69 G71 G72 L74 F172 T262 W289 W290 | W69-F296 HydrophobicContact CH2-CB 3.61Å; W69-F296 HydrophobicContact CH2-CD2 4.32Å; W69-F296 HydrophobicContact CH2-CG 4.08Å; W69-F296 HydrophobicContact CZ3-CB 3.63Å; W69-F296 HydrophobicContact CZ3-CG 4.04Å; G71-F296 CarbonylContact C-O 3.54Å; G71-F296 WeakPolarHBondContact CA-O 3.3Å; G72-F296 PolarHBondContact N-O 2.86Å; G72-F296 PolarHBondContact O-N 3.08Å; L74-F296 HydrophobicContact CB-CD2 4.18Å; L74-F296 HydrophobicContact CB-CE2 3.94Å; L74-F296 HydrophobicContact CD1-CD2 3.91Å; L74-F296 HydrophobicContact CD1-CE2 3.84Å; L74-F296 HydrophobicContact CD1-CG 4.33Å; L74-F296 HydrophobicContact CD1-CZ 4.17Å; L74-F296 HydrophobicContact CG-CD2 4.08Å; L74-F296 HydrophobicContact CG-CE2 4.19Å; F172-F296 HydrophobicContact CB-CE1 4.49Å; F172-F296 HydrophobicContact CB-CE2 4.07Å; F172-F296 HydrophobicContact CB-CZ 3.47Å; F172-F296 VanDerWaalsContact CB-CZ 3.47Å; F172-F296 AromaticContact CD1-CE2 3.91Å; F172-F296 HydrophobicContact CD1-CE2 3.91Å; F172-F296 HydrophobicContact CD1-CZ 4.14Å; F172-F296 HydrophobicContact CD2-CE2 4.45Å; F172-F296 HydrophobicContact CD2-CZ 4.07Å; F172-F296 AromaticContact CG-CE2 3.88Å; F172-F296 HydrophobicContact CG-CE2 3.88Å; F172-F296 AromaticContact CG-CZ 3.62Å; F172-F296 HydrophobicContact CG-CZ 3.62Å; T262-F296 HydrophobicContact CG2-CE1 3.8Å; T262-F296 HydrophobicContact CG2-CZ 4.14Å; W289-F296 VanDerWaalsContact O-CA 3.31Å; W289-F296 WeakPolarHBondContact O-CA 3.32Å; W290-F296 HydrophobicContact CB-CD1 4.08Å; W290-F296 HydrophobicContact CB-CD2 3.94Å; W290-F296 HydrophobicContact CB-CE1 3.73Å; W290-F296 HydrophobicContact CB-CE2 3.56Å; W290-F296 HydrophobicContact CB-CG 4.18Å; W290-F296 HydrophobicContact CB-CZ 3.45Å; W290-F296 VanDerWaalsContact CB-CZ 3.45Å; W290-F296 HydrophobicContact CD2-CZ 4.2Å; W290-F296 AromaticContact CE3-CE1 3.97Å; W290-F296 HydrophobicContact CE3-CE1 3.97Å; W290-F296 AromaticContact CE3-CZ 3.89Å; W290-F296 HydrophobicContact CE3-CZ 3.89Å; W290-F296 HydrophobicContact CG-CE2 4.44Å; W290-F296 HydrophobicContact CG-CZ 4.09Å |
| 297 | K | 92.5 | Very high | 94.9 | Very high | 128 Ų | 128 | 57.6 Ų | 57.6 | 56% | 0.557 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 168.9 | 157.1 | -67.8 | 169.7 | -178.2 | 159.3 | 0 | 109 | D265 W289 P299 | D265-K297 IonicContact OD2-NZ 3.9Å; D265-K297 PolarHBondContact OD2-NZ 2.96Å; W289-K297 PolarHBondContact O-N 2.66Å; K297-P299 WeakPolarHBondContact O-CD 3.3Å |
| 298 | K | 95.8 | Very high | 94.8 | Very high | 104 Ų | 104 | 59.8 Ų | 59.8 | 45% | 0.452 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -48.2 | 124.2 | 168.6 | -177.9 | 178.7 | -179.6 | 178.1 | 0 | 109.8 | N68 Q70 | N68-K298 WeakPolarHBondContact OD1-CE 3.25Å; Q70-K298 PolarHBondContact O-N 3.36Å |
| 299 | P | 96.9 | Very high | 94.7 | Very high | 12 Ų | 12 | 68.7 Ų | 68.7 | 8% | 0.078 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 145.1 | 177.1 | -25.9 | 35.4 | 0 | 0 | 0 | 111.8 | W69 L176 V286 L287 K297 | W69-P299 HydrophobicContact CE3-CG 3.82Å; W69-P299 HydrophobicContact CZ3-CG 4.33Å; W69-P299 VanDerWaalsContact O-CD 3.25Å; W69-P299 WeakPolarHBondContact O-CD 3.41Å; L176-P299 HydrophobicContact CD1-CG 3.99Å; V286-P299 HydrophobicContact CG1-CB 3.66Å; L287-P299 WeakPolarHBondContact O-CA 3.47Å; K297-P299 WeakPolarHBondContact O-CD 3.3Å |
| 300 | V | 97.1 | Very high | 94.6 | Very high | 56 Ų | 56 | 71.7 Ų | 71.7 | 34% | 0.339 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.3 | -178.6 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | L287 Y302 | L287-V300 PolarHBondContact N-O 2.93Å; L287-V300 PolarHBondContact O-N 2.93Å; V300-Y302 HydrophobicContact CB-CD2 4.31Å; V300-Y302 HydrophobicContact CB-CE2 3.6Å; V300-Y302 HydrophobicContact CG1-CD1 4.36Å; V300-Y302 HydrophobicContact CG1-CD2 4.11Å; V300-Y302 HydrophobicContact CG1-CE1 3.85Å; V300-Y302 HydrophobicContact CG1-CE2 3.57Å; V300-Y302 HydrophobicContact CG1-CG 4.48Å; V300-Y302 VanDerWaalsContact CG1-CZ 3.43Å |
| 301 | I | 97.3 | Very high | 94.4 | Very high | 70 Ų | 70 | 71.3 Ų | 71.3 | 36% | 0.359 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 120.6 | 175.3 | -55.6 | -178.4 | 0 | 0 | 0 | 107.8 | F66 M258 S284 M285 V286 | F66-I301 HydrophobicContact CD1-CD1 4.43Å; F66-I301 HydrophobicContact CE1-CD1 3.81Å; F66-I301 HydrophobicContact CZ-CD1 4.21Å; M258-I301 HydrophobicContact SD-CG2 4.31Å; S284-I301 VanDerWaalsContact CB-CG2 3.46Å; S284-I301 WeakPolarHBondContact OG-CG2 3.26Å; M285-I301 WeakPolarHBondContact O-CA 3.15Å; V286-I301 HydrophobicContact CG2-CG1 4.29Å |
| 302 | Y | 97.7 | Very high | 94.2 | Very high | 34 Ų | 34 | 77.1 Ų | 77.1 | 13% | 0.133 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 124.9 | 178.6 | -67.2 | -79.8 | 0 | 0 | 0 | 110.6 | F269 S284 M285 L287 W289 V300 D306 L310 | F269-Y302 HydrophobicContact CE2-CD1 4.23Å; F269-Y302 HydrophobicContact CE2-CD2 4.29Å; F269-Y302 HydrophobicContact CE2-CE1 4.04Å; F269-Y302 HydrophobicContact CE2-CE2 4.08Å; F269-Y302 HydrophobicContact CE2-CG 4.35Å; F269-Y302 AromaticContact CE2-CZ 3.95Å; S284-Y302 CarbonylContact C-O 3.49Å; S284-Y302 WeakPolarHBondContact CA-O 3.22Å; S284-Y302 VanDerWaalsContact CB-O 3.28Å; S284-Y302 WeakPolarHBondContact CB-O 3.5Å; M285-Y302 PolarHBondContact N-O 2.88Å; M285-Y302 PolarHBondContact O-N 3.39Å; L287-Y302 HydrophobicContact CB-CD2 3.97Å; L287-Y302 HydrophobicContact CB-CE2 3.86Å; L287-Y302 HydrophobicContact CD2-CD2 4.4Å; L287-Y302 HydrophobicContact CD2-CE2 3.93Å; W289-Y302 AromaticContact NE1-CE2 3.99Å; W289-Y302 PolarHBondContact NE1-OH 2.76Å; V300-Y302 HydrophobicContact CB-CD2 4.31Å; V300-Y302 HydrophobicContact CB-CE2 3.6Å; V300-Y302 HydrophobicContact CG1-CD1 4.36Å; V300-Y302 HydrophobicContact CG1-CD2 4.11Å; V300-Y302 HydrophobicContact CG1-CE1 3.85Å; V300-Y302 HydrophobicContact CG1-CE2 3.57Å; V300-Y302 HydrophobicContact CG1-CG 4.48Å; V300-Y302 VanDerWaalsContact CG1-CZ 3.43Å; Y302-D306 HydrophobicContact CD1-CB 4.17Å; Y302-L310 HydrophobicContact CD1-CD1 4.03Å; Y302-L310 HydrophobicContact CE1-CD1 3.65Å |
| 303 | K | 97.8 | Very high | 94.4 | Very high | 90 Ų | 90 | 74.9 Ų | 74.9 | 39% | 0.391 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 159.8 | 163.6 | -61 | -168 | 174.7 | -131 | 0 | 109.9 | D283 T305 D306 V307 | D283-K303 IonicContact OD1-NZ 2.8Å; D283-K303 PolarHBondContact OD1-NZ 3.09Å; D283-K303 IonicContact OD2-NZ 3.24Å; D283-K303 PolarHBondContact OD2-NZ 3.47Å; K303-T305 PolarHBondContact O-N 3.07Å; K303-T305 VanDerWaalsContact O-N 3.09Å; K303-D306 WeakPolarHBondContact CB-OD2 3.35Å; K303-D306 PolarHBondContact N-OD2 3.34Å; K303-D306 WeakPolarHBondContact O-CB 3.37Å; K303-D306 PolarHBondContact O-N 3.41Å; K303-V307 WeakPolarHBondContact O-CG2 3.43Å; K303-V307 PolarHBondContact O-N 3.28Å; K303-V307 VanDerWaalsContact O-N 3.07Å |
| 304 | L | 96.7 | Very high | 94.7 | Very high | 48 Ų | 48 | 70.5 Ų | 70.5 | 25% | 0.251 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -54.7 | -33.5 | 175.8 | -177.5 | 60 | 0 | 0 | 0 | 112 | L277 F278 D306 V307 N308 | L277-L304 HydrophobicContact CB-CB 4.35Å; L277-L304 HydrophobicContact CB-CD1 4.07Å; F278-L304 HydrophobicContact CD2-CD2 4.34Å; L304-D306 VanDerWaalsContact C-N 3.34Å; L304-D306 PolarHBondContact O-N 3.08Å; L304-V307 PolarHBondContact O-N 2.8Å; L304-N308 WeakPolarHBondContact O-CB 3.36Å; L304-N308 PolarHBondContact O-N 3.14Å; L304-N308 PolarHBondContact O-ND2 3.4Å |
| 305 | T | 96.3 | Very high | 94.9 | Very high | 83 Ų | 83 | 69 Ų | 69 | 51% | 0.509 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.9 | -35.2 | 174.7 | 49.7 | 0 | 0 | 0 | 0 | 113.8 | K303 | K303-T305 PolarHBondContact O-N 3.07Å; K303-T305 VanDerWaalsContact O-N 3.09Å |
| 306 | D | 96.6 | Very high | 94.9 | Very high | 52 Ų | 52 | 71 Ų | 71 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -72.4 | -45 | 176.7 | -55 | -44.7 | 0 | 0 | 0 | 109.7 | Y302 K303 L304 N308 R309 L310 | Y302-D306 HydrophobicContact CD1-CB 4.17Å; K303-D306 WeakPolarHBondContact CB-OD2 3.35Å; K303-D306 PolarHBondContact N-OD2 3.34Å; K303-D306 WeakPolarHBondContact O-CB 3.37Å; K303-D306 PolarHBondContact O-N 3.41Å; L304-D306 VanDerWaalsContact C-N 3.34Å; L304-D306 PolarHBondContact O-N 3.08Å; D306-N308 VanDerWaalsContact C-N 3.29Å; D306-N308 PolarHBondContact O-N 2.83Å; D306-R309 WeakPolarHBondContact O-CB 3.22Å; D306-R309 PolarHBondContact O-N 2.99Å; D306-L310 PolarHBondContact O-N 3.34Å |
| 307 | V | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 177 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | F269 V273 W274 L277 K303 L304 R309 L310 V311 | F269-V307 HydrophobicContact CE1-CG1 3.62Å; F269-V307 HydrophobicContact CE1-CG2 4.32Å; F269-V307 HydrophobicContact CZ-CB 4.47Å; F269-V307 HydrophobicContact CZ-CG1 4.04Å; F269-V307 HydrophobicContact CZ-CG2 3.87Å; V273-V307 HydrophobicContact CG1-CG1 4.46Å; V273-V307 HydrophobicContact CG1-CG2 3.88Å; W274-V307 HydrophobicContact CB-CG1 3.91Å; W274-V307 HydrophobicContact CG-CG1 4.34Å; L277-V307 HydrophobicContact CD1-CG2 3.86Å; K303-V307 WeakPolarHBondContact O-CG2 3.43Å; K303-V307 PolarHBondContact O-N 3.28Å; K303-V307 VanDerWaalsContact O-N 3.07Å; L304-V307 PolarHBondContact O-N 2.8Å; V307-R309 PolarHBondContact O-N 3.07Å; V307-R309 VanDerWaalsContact O-N 3.16Å; V307-L310 PolarHBondContact O-N 3.48Å; V307-V311 HydrophobicContact CG1-CG2 3.82Å; V307-V311 PolarHBondContact O-N 3.31Å |
| 308 | N | 95.7 | Very high | 95.1 | Very high | 47 Ų | 47 | 68.3 Ų | 68.3 | 25% | 0.251 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.8 | -24.8 | 175.3 | -76.2 | -19 | 0 | 0 | 0 | 113.7 | W274 L304 D306 L314 | W274-N308 PolarHBondContact NE1-OD1 3.35Å; L304-N308 WeakPolarHBondContact O-CB 3.36Å; L304-N308 PolarHBondContact O-N 3.14Å; L304-N308 PolarHBondContact O-ND2 3.4Å; D306-N308 VanDerWaalsContact C-N 3.29Å; D306-N308 PolarHBondContact O-N 2.83Å; N308-L314 HydrophobicContact CB-CD2 4.01Å; N308-L314 WeakPolarHBondContact OD1-CD2 3.38Å |
| 309 | R | 94.7 | Very high | 95.1 | Very high | 186 Ų | 186 | 63.4 Ų | 63.4 | 70% | 0.702 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -82.4 | -28.4 | 175.8 | -64.3 | 170.8 | -178.3 | 172.6 | 0.8 | 112.1 | D306 V307 | D306-R309 WeakPolarHBondContact O-CB 3.22Å; D306-R309 PolarHBondContact O-N 2.99Å; V307-R309 PolarHBondContact O-N 3.07Å; V307-R309 VanDerWaalsContact O-N 3.16Å |
| 310 | L | 93 | Very high | 95.2 | Very high | 92 Ų | 92 | 63.2 Ų | 63.2 | 48% | 0.482 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -86.5 | -31.7 | -178.1 | -63.2 | 172.5 | 0 | 0 | 0 | 112.8 | F269 Y302 D306 V307 | F269-L310 HydrophobicContact CD2-CD1 3.71Å; F269-L310 HydrophobicContact CE2-CD1 3.68Å; F269-L310 HydrophobicContact CG-CB 4.4Å; F269-L310 HydrophobicContact CG-CD1 4.37Å; F269-L310 HydrophobicContact CZ-CD1 4.31Å; Y302-L310 HydrophobicContact CD1-CD1 4.03Å; Y302-L310 HydrophobicContact CE1-CD1 3.65Å; D306-L310 PolarHBondContact O-N 3.34Å; V307-L310 PolarHBondContact O-N 3.48Å |
| 311 | V | 90.3 | Very high | 95.3 | Very high | 29 Ų | 29 | 62.8 Ų | 62.8 | 18% | 0.176 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -96.1 | 114 | -178.8 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | F269 V307 | F269-V311 HydrophobicContact CD1-CG2 4.07Å; F269-V311 HydrophobicContact CE1-CG2 4.34Å; V307-V311 HydrophobicContact CG1-CG2 3.82Å; V307-V311 PolarHBondContact O-N 3.31Å |
| 312 | K | 88 | Confident | 95.3 | Very high | 179 Ų | 179 | 59.5 Ų | 59.5 | 78% | 0.778 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -135.4 | 133 | 175.3 | -66 | -174.9 | -177.2 | 178.3 | 0 | 111.2 | ||
| 313 | P | 90.9 | Very high | 95.3 | Very high | 119 Ų | 119 | 59.3 Ų | 59.3 | 77% | 0.773 | 30% | 0.297 | S | S | * | . | S | Bend | cis | -66.6 | 157.7 | -9.7 | 31.2 | -35.5 | 0 | 0 | 0 | 111.4 | ||
| 314 | L | 92.8 | Very high | 95.4 | Very high | 49 Ų | 49 | 56.5 Ų | 56.5 | 26% | 0.257 | 29% | 0.287 | S | S | . | . | trans | -61.7 | 138.9 | 169.4 | -68.8 | 175.5 | 0 | 0 | 0 | 109.2 | N308 Y316 | N308-L314 HydrophobicContact CB-CD2 4.01Å; N308-L314 WeakPolarHBondContact OD1-CD2 3.38Å; L314-Y316 HydrophobicContact CB-CD1 4.38Å; L314-Y316 HydrophobicContact CB-CD2 4Å; L314-Y316 HydrophobicContact CB-CE1 4.22Å; L314-Y316 HydrophobicContact CB-CE2 3.83Å; L314-Y316 HydrophobicContact CB-CG 4.28Å; L314-Y316 HydrophobicContact CD1-CE1 4.4Å; L314-Y316 HydrophobicContact CD1-CE2 3.66Å; L314-Y316 VanDerWaalsContact CD1-OH 3.31Å; L314-Y316 WeakPolarHBondContact CD1-OH 3.24Å; L314-Y316 HydrophobicContact CG-CE2 4.4Å; L314-Y316 PolarHBondContact O-N 3.24Å | ||
| 315 | P | 94.5 | Very high | 95.5 | Very high | 22 Ų | 22 | 54.2 Ų | 54.2 | 14% | 0.143 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -81.3 | 43 | -169.5 | 35.7 | -39 | 0 | 0 | 0 | 112.8 | F131 W274 S317 T318 L319 | F131-P315 HydrophobicContact CE2-CB 4.32Å; F131-P315 HydrophobicContact CE2-CG 4.3Å; F131-P315 HydrophobicContact CZ-CB 3.64Å; F131-P315 HydrophobicContact CZ-CG 3.67Å; W274-P315 HydrophobicContact CD2-CG 3.55Å; W274-P315 HydrophobicContact CE3-CG 3.41Å; W274-P315 VanDerWaalsContact CE3-CG 3.41Å; W274-P315 HydrophobicContact CG-CG 4.21Å; W274-P315 HydrophobicContact CH2-CG 4.06Å; W274-P315 HydrophobicContact CZ2-CG 4.14Å; W274-P315 HydrophobicContact CZ3-CG 3.71Å; P315-S317 VanDerWaalsContact C-N 3.29Å; P315-S317 PolarHBondContact O-N 2.94Å; P315-T318 WeakPolarHBondContact O-CB 3.48Å; P315-T318 PolarHBondContact O-N 3.44Å; P315-T318 VanDerWaalsContact O-N 3.16Å; P315-L319 PolarHBondContact O-N 3.47Å |
| 316 | Y | 96 | Very high | 95.6 | Very high | 86 Ų | 86 | 50.5 Ų | 50.5 | 34% | 0.337 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.3 | -26.8 | -178.3 | -64.1 | -33.1 | 0 | 0 | 0 | 113.5 | W274 L314 L319 S320 | W274-Y316 HydrophobicContact CZ2-CD1 4.46Å; W274-Y316 HydrophobicContact CZ2-CE1 4.09Å; L314-Y316 HydrophobicContact CB-CD1 4.38Å; L314-Y316 HydrophobicContact CB-CD2 4Å; L314-Y316 HydrophobicContact CB-CE1 4.22Å; L314-Y316 HydrophobicContact CB-CE2 3.83Å; L314-Y316 HydrophobicContact CB-CG 4.28Å; L314-Y316 HydrophobicContact CD1-CE1 4.4Å; L314-Y316 HydrophobicContact CD1-CE2 3.66Å; L314-Y316 VanDerWaalsContact CD1-OH 3.31Å; L314-Y316 WeakPolarHBondContact CD1-OH 3.24Å; L314-Y316 HydrophobicContact CG-CE2 4.4Å; L314-Y316 PolarHBondContact O-N 3.24Å; Y316-L319 HydrophobicContact CD1-CD2 4.47Å; Y316-L319 PolarHBondContact O-N 2.98Å; Y316-S320 WeakPolarHBondContact O-CB 3.41Å; Y316-S320 PolarHBondContact O-N 2.99Å; Y316-S320 PolarHBondContact O-OG 2.86Å |
| 317 | S | 95.9 | Very high | 95.7 | Very high | 65 Ų | 65 | 51 Ų | 51 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 170.6 | 57.9 | 0 | 0 | 0 | 0 | 110.9 | G25 P315 S320 K321 | G25-S317 WeakPolarHBondContact CA-O 3.44Å; G25-S317 WeakPolarHBondContact O-CA 3.28Å; P315-S317 VanDerWaalsContact C-N 3.29Å; P315-S317 PolarHBondContact O-N 2.94Å; S317-S320 PolarHBondContact O-N 2.8Å; S317-K321 WeakPolarHBondContact O-CG 3.45Å; S317-K321 PolarHBondContact O-N 2.98Å; S317-K321 VanDerWaalsContact O-N 3.09Å |
| 318 | T | 96 | Very high | 95.8 | Very high | 12 Ų | 12 | 54 Ų | 54 | 7% | 0.074 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 173.3 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | F131 C134 K135 P315 S320 K321 V322 | F131-T318 HydrophobicContact CD1-CG2 4.04Å; F131-T318 HydrophobicContact CD2-CG2 3.74Å; F131-T318 HydrophobicContact CE1-CG2 3.93Å; F131-T318 HydrophobicContact CE2-CG2 3.62Å; F131-T318 HydrophobicContact CG-CG2 3.96Å; F131-T318 HydrophobicContact CZ-CG2 3.74Å; F131-T318 WeakPolarHBondContact O-CG2 3.13Å; C134-T318 HydrophobicContact CB-CG2 3.84Å; K135-T318 HydrophobicContact CB-CG2 4.12Å; P315-T318 WeakPolarHBondContact O-CB 3.48Å; P315-T318 PolarHBondContact O-N 3.44Å; P315-T318 VanDerWaalsContact O-N 3.16Å; T318-S320 VanDerWaalsContact C-N 3.3Å; T318-S320 PolarHBondContact O-N 3.26Å; T318-K321 WeakPolarHBondContact O-CB 3.37Å; T318-K321 PolarHBondContact O-N 3.08Å; T318-K321 VanDerWaalsContact O-N 3.14Å; T318-V322 WeakPolarHBondContact O-CG2 3.5Å; T318-V322 PolarHBondContact O-N 3.41Å |
| 319 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 176.4 | -177.3 | 61.6 | 0 | 0 | 0 | 112.1 | P29 L200 W274 F278 F279 P315 Y316 K321 V322 Y323 | P29-L319 WeakPolarHBondContact O-CD2 3.1Å; L200-L319 HydrophobicContact CD1-CD1 4.3Å; W274-L319 HydrophobicContact CH2-CD2 4.2Å; F278-L319 HydrophobicContact CD1-CD1 4.21Å; F278-L319 HydrophobicContact CE1-CD1 3.59Å; F278-L319 HydrophobicContact CE1-CD2 3.78Å; F278-L319 HydrophobicContact CE1-CG 4.36Å; F278-L319 HydrophobicContact CE2-CD2 3.96Å; F278-L319 HydrophobicContact CZ-CD1 4.12Å; F278-L319 HydrophobicContact CZ-CD2 3.4Å; F278-L319 HydrophobicContact CZ-CG 4.41Å; F279-L319 HydrophobicContact CE1-CD1 3.86Å; F279-L319 HydrophobicContact CZ-CD1 3.69Å; P315-L319 PolarHBondContact O-N 3.47Å; Y316-L319 HydrophobicContact CD1-CD2 4.47Å; Y316-L319 PolarHBondContact O-N 2.98Å; L319-K321 VanDerWaalsContact C-N 3.33Å; L319-K321 PolarHBondContact O-N 2.96Å; L319-V322 PolarHBondContact O-N 2.86Å; L319-Y323 PolarHBondContact O-N 2.87Å |
| 320 | S | 98.2 | Very high | 96.1 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.1 | -40.7 | 175 | -62.7 | 0 | 0 | 0 | 0 | 112 | S24 G28 Y316 S317 T318 Y323 D324 | S24-S320 CarbonylContact O-C 3.58Å; S24-S320 WeakPolarHBondContact O-CB 3.18Å; G28-S320 WeakPolarHBondContact CA-OG 3.35Å; G28-S320 PolarHBondContact N-OG 3.27Å; Y316-S320 WeakPolarHBondContact O-CB 3.41Å; Y316-S320 PolarHBondContact O-N 2.99Å; Y316-S320 PolarHBondContact O-OG 2.86Å; S317-S320 PolarHBondContact O-N 2.8Å; T318-S320 VanDerWaalsContact C-N 3.3Å; T318-S320 PolarHBondContact O-N 3.26Å; S320-Y323 PolarHBondContact O-N 3.23Å; S320-D324 PolarHBondContact O-N 3.1Å |
| 321 | K | 98.2 | Very high | 96.3 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 20% | 0.2 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 174.7 | -68.7 | 175.5 | -179.1 | 178.5 | 0 | 112 | L20 L23 S24 C134 S317 T318 L319 Y323 D324 L325 | L20-K321 HydrophobicContact CD1-CD 3.95Å; L23-K321 HydrophobicContact CB-CB 3.98Å; L23-K321 HydrophobicContact CB-CG 3.97Å; L23-K321 HydrophobicContact CD1-CB 4.29Å; S24-K321 WeakPolarHBondContact O-CA 3.43Å; S24-K321 PolarHBondContact O-N 2.91Å; C134-K321 HydrophobicContact CB-CB 3.83Å; C134-K321 HydrophobicContact CB-CD 4.42Å; C134-K321 WeakPolarHBondContact O-CD 3.3Å; C134-K321 PolarHBondContact O-NZ 3.09Å; S317-K321 WeakPolarHBondContact O-CG 3.45Å; S317-K321 PolarHBondContact O-N 2.98Å; S317-K321 VanDerWaalsContact O-N 3.09Å; T318-K321 WeakPolarHBondContact O-CB 3.37Å; T318-K321 PolarHBondContact O-N 3.08Å; T318-K321 VanDerWaalsContact O-N 3.14Å; L319-K321 VanDerWaalsContact C-N 3.33Å; L319-K321 PolarHBondContact O-N 2.96Å; K321-Y323 VanDerWaalsContact C-N 3.34Å; K321-D324 PolarHBondContact O-N 2.8Å; K321-L325 VanDerWaalsContact O-CB 3.24Å; K321-L325 WeakPolarHBondContact O-CB 3.33Å; K321-L325 PolarHBondContact O-N 3.45Å |
| 322 | V | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59 | -48.2 | 174 | 173.8 | 0 | 0 | 0 | 0 | 110 | F131 C134 F279 T318 L319 D324 L325 L326 | F131-V322 HydrophobicContact CB-CG2 4.01Å; F131-V322 HydrophobicContact CD2-CG2 4.04Å; F131-V322 HydrophobicContact CG-CG2 4.42Å; C134-V322 HydrophobicContact CB-CG2 3.79Å; F279-V322 HydrophobicContact CZ-CG1 4.11Å; T318-V322 WeakPolarHBondContact O-CG2 3.5Å; T318-V322 PolarHBondContact O-N 3.41Å; L319-V322 PolarHBondContact O-N 2.86Å; V322-D324 PolarHBondContact O-N 3.47Å; V322-L325 WeakPolarHBondContact O-CB 3.24Å; V322-L325 PolarHBondContact O-N 2.79Å; V322-L326 HydrophobicContact CG1-CD1 4.23Å; V322-L326 HydrophobicContact CG1-CG 4.35Å; V322-L326 WeakPolarHBondContact O-CG 3.44Å; V322-L326 PolarHBondContact O-N 2.78Å |
| 323 | Y | 98.7 | Very high | 97.1 | Very high | 31 Ų | 31 | 36.5 Ų | 36.5 | 12% | 0.122 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.5 | -48.1 | 178 | 176.3 | -112.9 | 0 | 0 | 0 | 112.7 | P29 L200 E202 L203 L319 S320 K321 L325 L326 L327 | P29-Y323 HydrophobicContact CG-CD1 4.3Å; P29-Y323 HydrophobicContact CG-CD2 3.89Å; P29-Y323 HydrophobicContact CG-CE2 4.35Å; P29-Y323 HydrophobicContact CG-CG 3.86Å; L200-Y323 HydrophobicContact CD2-CD2 4.33Å; L200-Y323 HydrophobicContact CG-CD2 4.08Å; L200-Y323 WeakPolarHBondContact O-CE2 3.26Å; E202-Y323 PolarHBondContact N-OH 2.83Å; E202-Y323 VanDerWaalsContact N-OH 3.12Å; L203-Y323 HydrophobicContact CB-CE2 4.48Å; L203-Y323 HydrophobicContact CD1-CD2 4.08Å; L203-Y323 HydrophobicContact CD1-CE2 3.96Å; L203-Y323 HydrophobicContact CG-CD2 4.5Å; L203-Y323 HydrophobicContact CG-CE2 3.9Å; L319-Y323 PolarHBondContact O-N 2.87Å; S320-Y323 PolarHBondContact O-N 3.23Å; K321-Y323 VanDerWaalsContact C-N 3.34Å; Y323-L325 VanDerWaalsContact C-N 3.32Å; Y323-L325 PolarHBondContact O-N 3.44Å; Y323-L326 PolarHBondContact O-N 2.81Å; Y323-L327 HydrophobicContact CD1-CD1 4Å; Y323-L327 HydrophobicContact CE1-CD1 3.52Å; Y323-L327 HydrophobicContact CE1-CG 4.37Å; Y323-L327 HydrophobicContact CE2-CD1 4.3Å; Y323-L327 HydrophobicContact CE2-CG 4.31Å; Y323-L327 WeakPolarHBondContact O-CG 3.43Å; Y323-L327 PolarHBondContact O-N 2.84Å |
| 324 | D | 98.6 | Very high | 97.4 | Very high | 31 Ų | 31 | 34.7 Ų | 34.7 | 17% | 0.166 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.8 | -35.1 | 177.1 | -176.1 | 32.9 | 0 | 0 | 0 | 112.6 | L23 S24 S320 K321 V322 L327 K328 | L23-D324 WeakPolarHBondContact CA-OD2 3.37Å; S24-D324 PolarHBondContact N-OD2 3.12Å; S320-D324 PolarHBondContact O-N 3.1Å; K321-D324 PolarHBondContact O-N 2.8Å; V322-D324 PolarHBondContact O-N 3.47Å; D324-L327 PolarHBondContact O-N 3.44Å; D324-K328 WeakPolarHBondContact O-CG 3.25Å; D324-K328 PolarHBondContact O-N 2.75Å; D324-K328 WeakPolarHBondContact OD1-CE 3.39Å; D324-K328 IonicContact OD1-NZ 2.62Å; D324-K328 PolarHBondContact OD1-NZ 3.44Å; D324-K328 IonicContact OD2-NZ 3.29Å; D324-K328 PolarHBondContact OD2-NZ 2.96Å |
| 325 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -46.6 | 173.1 | 178.1 | 57.1 | 0 | 0 | 0 | 111.7 | I18 L23 L130 F133 K321 V322 Y323 L327 K328 I329 I352 | I18-L325 HydrophobicContact CB-CD1 4.46Å; I18-L325 HydrophobicContact CD1-CD1 3.9Å; I18-L325 HydrophobicContact CG2-CD1 3.88Å; L23-L325 HydrophobicContact CD1-CB 3.84Å; L23-L325 HydrophobicContact CD1-CD1 4.36Å; L23-L325 HydrophobicContact CD1-CD2 4.22Å; L23-L325 HydrophobicContact CD1-CG 4.37Å; L23-L325 HydrophobicContact CD2-CB 3.97Å; L23-L325 HydrophobicContact CD2-CD1 4.26Å; L130-L325 HydrophobicContact CB-CD2 4.47Å; L130-L325 HydrophobicContact CD2-CD2 3.86Å; F133-L325 HydrophobicContact CD1-CD2 3.89Å; F133-L325 HydrophobicContact CE1-CD2 4.02Å; K321-L325 VanDerWaalsContact O-CB 3.24Å; K321-L325 WeakPolarHBondContact O-CB 3.33Å; K321-L325 PolarHBondContact O-N 3.45Å; V322-L325 WeakPolarHBondContact O-CB 3.24Å; V322-L325 PolarHBondContact O-N 2.79Å; Y323-L325 VanDerWaalsContact C-N 3.32Å; Y323-L325 PolarHBondContact O-N 3.44Å; L325-L327 VanDerWaalsContact C-N 3.35Å; L325-L327 PolarHBondContact O-N 3.32Å; L325-K328 PolarHBondContact O-N 3.15Å; L325-K328 VanDerWaalsContact O-N 3.17Å; L325-I329 HydrophobicContact CD1-CD1 3.92Å; L325-I329 HydrophobicContact CD1-CG1 4.21Å; L325-I329 HydrophobicContact CG-CD1 3.79Å; L325-I329 VanDerWaalsContact O-CG1 3.32Å; L325-I329 WeakPolarHBondContact O-CG1 3.49Å; L325-I329 PolarHBondContact O-N 3.15Å; L325-I352 HydrophobicContact CD1-CD1 4.19Å; L325-I352 HydrophobicContact CD2-CD1 3.74Å |
| 326 | L | 98.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 176.2 | -67.1 | 179.8 | 0 | 0 | 0 | 111.3 | L120 L127 L130 L200 L203 L205 V322 Y323 K328 I329 I330 | L120-L326 HydrophobicContact CD2-CD1 4.45Å; L120-L326 HydrophobicContact CD2-CD2 3.81Å; L127-L326 HydrophobicContact CD2-CD1 4.22Å; L127-L326 HydrophobicContact CD2-CD2 4.43Å; L130-L326 HydrophobicContact CD1-CD2 3.68Å; L200-L326 HydrophobicContact CD2-CD1 4.08Å; L203-L326 HydrophobicContact CD1-CB 3.66Å; L203-L326 HydrophobicContact CD1-CD1 4.41Å; L205-L326 HydrophobicContact CD2-CD1 4.28Å; V322-L326 HydrophobicContact CG1-CD1 4.23Å; V322-L326 HydrophobicContact CG1-CG 4.35Å; V322-L326 WeakPolarHBondContact O-CG 3.44Å; V322-L326 PolarHBondContact O-N 2.78Å; Y323-L326 PolarHBondContact O-N 2.81Å; L326-K328 VanDerWaalsContact C-N 3.29Å; L326-K328 PolarHBondContact O-N 3.19Å; L326-I329 PolarHBondContact O-N 2.96Å; L326-I330 WeakPolarHBondContact O-CB 3.47Å; L326-I330 WeakPolarHBondContact O-CD1 3.27Å; L326-I330 VanDerWaalsContact O-CG1 3.29Å; L326-I330 WeakPolarHBondContact O-CG1 3.42Å; L326-I330 PolarHBondContact O-N 2.84Å |
| 327 | L | 98.6 | Very high | 97.5 | Very high | 64 Ų | 64 | 43 Ų | 43 | 34% | 0.335 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -56.5 | -43 | 174.4 | -74.7 | 172.6 | 0 | 0 | 0 | 112.1 | L203 Y323 D324 L325 K331 | L203-L327 HydrophobicContact CD1-CD2 4.18Å; L203-L327 HydrophobicContact CD1-CG 4.26Å; L203-L327 HydrophobicContact CD2-CD2 3.86Å; L203-L327 HydrophobicContact CG-CD2 4.04Å; Y323-L327 HydrophobicContact CD1-CD1 4Å; Y323-L327 HydrophobicContact CE1-CD1 3.52Å; Y323-L327 HydrophobicContact CE1-CG 4.37Å; Y323-L327 HydrophobicContact CE2-CD1 4.3Å; Y323-L327 HydrophobicContact CE2-CG 4.31Å; Y323-L327 WeakPolarHBondContact O-CG 3.43Å; Y323-L327 PolarHBondContact O-N 2.84Å; D324-L327 PolarHBondContact O-N 3.44Å; L325-L327 VanDerWaalsContact C-N 3.35Å; L325-L327 PolarHBondContact O-N 3.32Å; L327-K331 WeakPolarHBondContact O-CB 3.32Å; L327-K331 PolarHBondContact O-N 2.86Å |
| 328 | K | 98.2 | Very high | 97.4 | Very high | 61 Ų | 61 | 42 Ų | 42 | 27% | 0.265 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.6 | -42.4 | 178 | -76.1 | 169.3 | -174.3 | 150.8 | 0 | 112.5 | N22 L23 D324 L325 L326 F332 | N22-K328 PolarHBondContact O-NZ 3.46Å; L23-K328 HydrophobicContact CD2-CD 3.92Å; D324-K328 WeakPolarHBondContact O-CG 3.25Å; D324-K328 PolarHBondContact O-N 2.75Å; D324-K328 WeakPolarHBondContact OD1-CE 3.39Å; D324-K328 IonicContact OD1-NZ 2.62Å; D324-K328 PolarHBondContact OD1-NZ 3.44Å; D324-K328 IonicContact OD2-NZ 3.29Å; D324-K328 PolarHBondContact OD2-NZ 2.96Å; L325-K328 PolarHBondContact O-N 3.15Å; L325-K328 VanDerWaalsContact O-N 3.17Å; L326-K328 VanDerWaalsContact C-N 3.29Å; L326-K328 PolarHBondContact O-N 3.19Å; K328-F332 WeakPolarHBondContact O-CB 3.32Å; K328-F332 PolarHBondContact O-N 3.4Å |
| 329 | I | 98.2 | Very high | 97.3 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.8 | -50.1 | 176.2 | -69.9 | 159.5 | 0 | 0 | 0 | 110.2 | I18 L147 L325 L326 K331 F332 M333 L344 | I18-I329 HydrophobicContact CD1-CG1 4.34Å; L147-I329 HydrophobicContact CD1-CG2 3.58Å; L147-I329 HydrophobicContact CD2-CG2 4.21Å; L325-I329 HydrophobicContact CD1-CD1 3.92Å; L325-I329 HydrophobicContact CD1-CG1 4.21Å; L325-I329 HydrophobicContact CG-CD1 3.79Å; L325-I329 VanDerWaalsContact O-CG1 3.32Å; L325-I329 WeakPolarHBondContact O-CG1 3.49Å; L325-I329 PolarHBondContact O-N 3.15Å; L326-I329 PolarHBondContact O-N 2.96Å; I329-K331 PolarHBondContact O-N 2.88Å; I329-F332 WeakPolarHBondContact O-CB 3.43Å; I329-F332 PolarHBondContact O-N 2.92Å; I329-M333 WeakPolarHBondContact O-CG 3.47Å; I329-M333 PolarHBondContact O-N 2.64Å; I329-L344 HydrophobicContact CD1-CD1 3.46Å; I329-L344 VanDerWaalsContact CD1-CD1 3.46Å; I329-L344 HydrophobicContact CG1-CD1 3.94Å; I329-L344 HydrophobicContact CG1-CD2 4.45Å |
| 330 | I | 98.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.6 | -48 | -179.8 | -69.4 | 161.3 | 0 | 0 | 0 | 110.4 | D119 L120 I154 L203 L326 F332 M333 R334 | D119-I330 HydrophobicContact CB-CD1 3.97Å; L120-I330 HydrophobicContact CB-CD1 4.39Å; I154-I330 HydrophobicContact CG1-CB 4.45Å; I154-I330 HydrophobicContact CG1-CG1 4.12Å; I154-I330 HydrophobicContact CG1-CG2 4.44Å; L203-I330 HydrophobicContact CD1-CD1 3.83Å; L203-I330 HydrophobicContact CD2-CD1 3.51Å; L203-I330 HydrophobicContact CG-CD1 4.28Å; L326-I330 WeakPolarHBondContact O-CB 3.47Å; L326-I330 WeakPolarHBondContact O-CD1 3.27Å; L326-I330 VanDerWaalsContact O-CG1 3.29Å; L326-I330 WeakPolarHBondContact O-CG1 3.42Å; L326-I330 PolarHBondContact O-N 2.84Å; I330-F332 VanDerWaalsContact C-N 3.3Å; I330-F332 PolarHBondContact O-N 2.72Å; I330-M333 PolarHBondContact O-N 3.31Å; I330-R334 HydrophobicContact CG2-CG 4.42Å; I330-R334 VanDerWaalsContact CG2-CZ 3.41Å; I330-R334 WeakPolarHBondContact O-CB 3.28Å; I330-R334 WeakPolarHBondContact O-CG 3.19Å; I330-R334 PolarHBondContact O-N 2.68Å |
| 331 | K | 97.9 | Very high | 97 | Very high | 115 Ų | 115 | 48.4 Ų | 48.4 | 50% | 0.5 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61 | -38.9 | 176.8 | -175.5 | 178.5 | -175.4 | 178.7 | 0 | 112.4 | L327 I329 R335 | L327-K331 WeakPolarHBondContact O-CB 3.32Å; L327-K331 PolarHBondContact O-N 2.86Å; I329-K331 PolarHBondContact O-N 2.88Å; K331-R335 WeakPolarHBondContact O-CB 3.28Å; K331-R335 WeakPolarHBondContact O-CD 2.96Å; K331-R335 WeakPolarHBondContact O-CG 3.39Å; K331-R335 PolarHBondContact O-N 3.34Å |
| 332 | F | 96.9 | Very high | 96.9 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 17% | 0.167 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.2 | -51.2 | 176 | 168.2 | -95.5 | 0 | 0 | 0 | 110.9 | F15 K328 I329 I330 R334 R335 N336 T342 I354 | F15-F332 AromaticContact CD1-CE2 3.64Å; F15-F332 HydrophobicContact CD1-CE2 3.64Å; F15-F332 AromaticContact CD1-CZ 3.64Å; F15-F332 HydrophobicContact CD1-CZ 3.64Å; F15-F332 AromaticContact CE1-CE2 3.51Å; F15-F332 HydrophobicContact CE1-CE2 3.51Å; F15-F332 AromaticContact CE1-CZ 3.76Å; F15-F332 HydrophobicContact CE1-CZ 3.76Å; F15-F332 HydrophobicContact CG-CZ 4.46Å; K328-F332 WeakPolarHBondContact O-CB 3.32Å; K328-F332 PolarHBondContact O-N 3.4Å; I329-F332 WeakPolarHBondContact O-CB 3.43Å; I329-F332 PolarHBondContact O-N 2.92Å; I330-F332 VanDerWaalsContact C-N 3.3Å; I330-F332 PolarHBondContact O-N 2.72Å; F332-R334 PolarHBondContact O-N 2.96Å; F332-R335 PolarHBondContact O-N 3.41Å; F332-N336 PolarHBondContact O-N 2.74Å; F332-N336 PolarHBondContact O-ND2 2.94Å; F332-T342 HydrophobicContact CE1-CG2 3.92Å; F332-T342 HydrophobicContact CZ-CG2 4.28Å; F332-I354 HydrophobicContact CD1-CD1 4.33Å; F332-I354 HydrophobicContact CD2-CD1 4.37Å; F332-I354 HydrophobicContact CE1-CD1 4.28Å; F332-I354 HydrophobicContact CE1-CG2 3.83Å; F332-I354 HydrophobicContact CE2-CD1 4.29Å; F332-I354 HydrophobicContact CG-CD1 4.38Å; F332-I354 HydrophobicContact CZ-CD1 4.27Å; F332-I354 HydrophobicContact CZ-CG2 3.85Å |
| 333 | M | 97.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.8 | -38 | -179 | -68.8 | -58.4 | -65.8 | 0 | 0 | 112.6 | L147 R149 I154 I329 I330 R335 N336 V340 T342 | L147-M333 HydrophobicContact CB-CE 3.95Å; L147-M333 HydrophobicContact CB-CG 4.4Å; L147-M333 HydrophobicContact CB-SD 3.91Å; L147-M333 HydrophobicContact CD1-CG 4.11Å; L147-M333 HydrophobicContact CD1-SD 4.04Å; R149-M333 HydrophobicContact CB-CE 4.45Å; R149-M333 PolarHBondContact NE-O 2.98Å; R149-M333 VanDerWaalsContact NE-O 3.13Å; I154-M333 HydrophobicContact CD1-CB 3.38Å; I154-M333 HydrophobicContact CD1-CG 4.19Å; I154-M333 HydrophobicContact CG1-CB 4.01Å; I154-M333 HydrophobicContact CG1-CG 4.46Å; I154-M333 HydrophobicContact CG2-CG 4.12Å; I329-M333 WeakPolarHBondContact O-CG 3.47Å; I329-M333 PolarHBondContact O-N 2.64Å; I330-M333 PolarHBondContact O-N 3.31Å; M333-R335 VanDerWaalsContact C-N 3.31Å; M333-R335 PolarHBondContact O-N 2.79Å; M333-N336 PolarHBondContact O-N 2.95Å; M333-V340 WeakPolarHBondContact CE-O 3.4Å; M333-T342 HydrophobicContact SD-CG2 4.25Å; M333-T342 PolarHBondContact SD-OG1 2.82Å |
| 334 | R | 97.5 | Very high | 96.9 | Very high | 82 Ų | 82 | 44.8 Ų | 44.8 | 31% | 0.309 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.6 | -23.4 | 176.8 | -72.2 | 176.8 | 177.1 | 166.4 | 0.9 | 113.9 | D119 E152 I330 F332 | D119-R334 IonicContact OD1-CZ 2.69Å; D119-R334 IonicContact OD1-NH1 2.6Å; D119-R334 PolarHBondContact OD1-NH1 3.2Å; D119-R334 IonicContact OD1-NH2 2.94Å; D119-R334 PolarHBondContact OD1-NH2 3.36Å; E152-R334 VanDerWaalsContact O-CZ 3.25Å; E152-R334 PolarHBondContact O-NE 3.32Å; E152-R334 PolarHBondContact O-NH2 3.04Å; E152-R334 WeakPolarHBondContact OE2-CD 3.37Å; E152-R334 WeakPolarHBondContact OE2-CG 3.3Å; E152-R334 IonicContact OE2-CZ 3.19Å; E152-R334 IonicContact OE2-NE 3.49Å; E152-R334 PolarHBondContact OE2-NE 3.25Å; I330-R334 HydrophobicContact CG2-CG 4.42Å; I330-R334 VanDerWaalsContact CG2-CZ 3.41Å; I330-R334 WeakPolarHBondContact O-CB 3.28Å; I330-R334 WeakPolarHBondContact O-CG 3.19Å; I330-R334 PolarHBondContact O-N 2.68Å; F332-R334 PolarHBondContact O-N 2.96Å |
| 335 | R | 96.8 | Very high | 96.9 | Very high | 185 Ų | 185 | 43.3 Ų | 43.3 | 70% | 0.698 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -81.5 | -19.5 | 177 | -79.7 | 172.5 | 169.7 | -164.7 | -11 | 113.8 | K331 F332 M333 | K331-R335 WeakPolarHBondContact O-CB 3.28Å; K331-R335 WeakPolarHBondContact O-CD 2.96Å; K331-R335 WeakPolarHBondContact O-CG 3.39Å; K331-R335 PolarHBondContact O-N 3.34Å; F332-R335 PolarHBondContact O-N 3.41Å; M333-R335 VanDerWaalsContact C-N 3.31Å; M333-R335 PolarHBondContact O-N 2.79Å |
| 336 | N | 95.1 | Very high | 96.7 | Very high | 40 Ų | 40 | 43.8 Ų | 43.8 | 21% | 0.214 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -95.4 | 163.7 | 178.4 | -71.4 | -78.4 | 0 | 0 | 0 | 110.6 | R149 F332 M333 V340 | R149-N336 PolarHBondContact NH2-O 2.95Å; F332-N336 PolarHBondContact O-N 2.74Å; F332-N336 PolarHBondContact O-ND2 2.94Å; M333-N336 PolarHBondContact O-N 2.95Å; N336-V340 HydrophobicContact CB-CB 4.41Å |
| 337 | D | 94.2 | Very high | 96.4 | Very high | 105 Ų | 105 | 48.3 Ų | 48.3 | 56% | 0.561 | 22% | 0.224 | S | C | * | . | trans | -57.1 | 145.1 | 173.2 | -173.8 | -84.5 | 0 | 0 | 0 | 111.1 | S339 V340 | D337-S339 PolarHBondContact O-N 3.36Å; D337-S339 VanDerWaalsContact OD1-CB 3.25Å; D337-S339 WeakPolarHBondContact OD1-CB 3.45Å; D337-S339 PolarHBondContact OD1-N 3.39Å; D337-S339 PolarHBondContact OD1-OG 3.07Å; D337-V340 HydrophobicContact CB-CG2 4.1Å; D337-V340 WeakPolarHBondContact O-CB 3.45Å; D337-V340 PolarHBondContact O-N 2.99Å; D337-V340 VanDerWaalsContact O-N 3.08Å | ||
| 338 | E | 93.9 | Very high | 95.9 | Very high | 44 Ų | 44 | 47 Ų | 47 | 21% | 0.206 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -26.6 | -174.6 | -169.2 | 172.5 | 141 | 0 | 0 | 113 | R149 G151 V340 R374 | R149-E338 HydrophobicContact CB-CG 4.3Å; R149-E338 HydrophobicContact CG-CG 4.27Å; R149-E338 IonicContact NH1-OE2 3.5Å; R149-E338 PolarHBondContact NH1-OE2 3.4Å; R149-E338 WeakPolarHBondContact O-CG 3.24Å; G151-E338 PolarHBondContact N-OE1 3.39Å; G151-E338 PolarHBondContact N-OE2 3.47Å; E338-V340 PolarHBondContact O-N 2.81Å; E338-R374 IonicContact OE1-CZ 3.06Å; E338-R374 VanDerWaalsContact OE1-CZ 3.29Å; E338-R374 IonicContact OE1-NE 3.29Å; E338-R374 PolarHBondContact OE1-NE 3.18Å; E338-R374 IonicContact OE1-NH2 3.92Å; E338-R374 PolarHBondContact OE1-NH2 3.34Å |
| 339 | S | 92.3 | Very high | 95.6 | Very high | 84 Ų | 84 | 49 Ų | 49 | 59% | 0.587 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -18 | 176.5 | 67.7 | 0 | 0 | 0 | 0 | 113 | D337 K341 | D337-S339 PolarHBondContact O-N 3.36Å; D337-S339 VanDerWaalsContact OD1-CB 3.25Å; D337-S339 WeakPolarHBondContact OD1-CB 3.45Å; D337-S339 PolarHBondContact OD1-N 3.39Å; D337-S339 PolarHBondContact OD1-OG 3.07Å; S339-K341 PolarHBondContact O-N 3.41Å |
| 340 | V | 93.2 | Very high | 95.4 | Very high | 30 Ų | 30 | 53.5 Ų | 53.5 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | trans | -71.2 | 116.1 | -179.3 | 177.1 | 0 | 0 | 0 | 0 | 109.7 | M333 N336 D337 E338 T342 E356 | M333-V340 WeakPolarHBondContact CE-O 3.4Å; N336-V340 HydrophobicContact CB-CB 4.41Å; D337-V340 HydrophobicContact CB-CG2 4.1Å; D337-V340 WeakPolarHBondContact O-CB 3.45Å; D337-V340 PolarHBondContact O-N 2.99Å; D337-V340 VanDerWaalsContact O-N 3.08Å; E338-V340 PolarHBondContact O-N 2.81Å; V340-T342 HydrophobicContact CG1-CG2 3.8Å; V340-E356 HydrophobicContact CG1-CG 4.48Å | ||
| 341 | K | 96.4 | Very high | 95.2 | Very high | 42 Ų | 42 | 56.3 Ų | 56.3 | 18% | 0.183 | 27% | 0.269 | C | S | . | . | trans | -101.4 | 137.7 | 168.8 | -56.3 | -179.9 | -175.7 | 173.2 | 0 | 109 | L147 E148 S339 K357 A361 | L147-K341 WeakPolarHBondContact O-CA 3.45Å; E148-K341 HydrophobicContact CB-CG 4.04Å; E148-K341 WeakPolarHBondContact OE2-CE 3.42Å; E148-K341 IonicContact OE2-NZ 3.35Å; S339-K341 PolarHBondContact O-N 3.41Å; K341-K357 HydrophobicContact CB-CB 4.05Å; K341-K357 HydrophobicContact CB-CD 3.98Å; K341-K357 HydrophobicContact CB-CG 4.32Å; K341-K357 PolarHBondContact O-N 3.2Å; K341-A361 PolarHBondContact NZ-O 2.74Å | ||
| 342 | T | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 172.3 | 179.3 | 65.4 | 0 | 0 | 0 | 0 | 111.5 | D146 L147 F332 M333 V340 I354 Y355 | D146-T342 CarbonylContact C-O 3.38Å; L147-T342 PolarHBondContact N-O 3.22Å; L147-T342 PolarHBondContact O-N 2.92Å; F332-T342 HydrophobicContact CE1-CG2 3.92Å; F332-T342 HydrophobicContact CZ-CG2 4.28Å; M333-T342 HydrophobicContact SD-CG2 4.25Å; M333-T342 PolarHBondContact SD-OG1 2.82Å; V340-T342 HydrophobicContact CG1-CG2 3.8Å; T342-I354 HydrophobicContact CG2-CG2 4.29Å; T342-Y355 CarbonylContact C-O 3.5Å; T342-Y355 WeakPolarHBondContact CA-O 3.44Å; T342-Y355 WeakPolarHBondContact CB-O 3.47Å |
| 343 | S | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 130.2 | 174.9 | -62.9 | 0 | 0 | 0 | 0 | 109.5 | L10 I145 D146 I354 Y355 K357 | L10-S343 VanDerWaalsContact CD2-OG 3.28Å; L10-S343 WeakPolarHBondContact CD2-OG 3.43Å; I145-S343 CarbonylContact O-C 3.53Å; I145-S343 WeakPolarHBondContact O-CA 3.4Å; D146-S343 VanDerWaalsContact CG-OG 3.26Å; D146-S343 VanDerWaalsContact OD1-CB 3.31Å; D146-S343 WeakPolarHBondContact OD1-CB 3.29Å; D146-S343 PolarHBondContact OD1-OG 2.66Å; S343-I354 WeakPolarHBondContact O-CA 3.37Å; S343-Y355 PolarHBondContact N-O 2.8Å; S343-Y355 PolarHBondContact O-N 3.24Å; S343-K357 WeakPolarHBondContact OG-CG 3.45Å |
| 344 | L | 98.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 120.8 | 167.9 | -55 | -179.3 | 0 | 0 | 0 | 108.1 | F143 R144 I145 L147 I329 I352 E353 I354 | F143-L344 HydrophobicContact CE2-CB 4.32Å; R144-L344 CarbonylContact C-O 3.46Å; R144-L344 VanDerWaalsContact CA-O 3.26Å; R144-L344 WeakPolarHBondContact CA-O 3.49Å; I145-L344 HydrophobicContact CB-CB 4.32Å; I145-L344 PolarHBondContact N-O 3.26Å; I145-L344 PolarHBondContact O-N 2.78Å; L147-L344 HydrophobicContact CD1-CD1 4.04Å; L147-L344 HydrophobicContact CD1-CD2 3.79Å; L147-L344 HydrophobicContact CD1-CG 3.7Å; L147-L344 HydrophobicContact CD2-CD1 4.36Å; L147-L344 HydrophobicContact CG-CD1 4.47Å; L147-L344 HydrophobicContact CG-CG 4.13Å; I329-L344 HydrophobicContact CD1-CD1 3.46Å; I329-L344 VanDerWaalsContact CD1-CD1 3.46Å; I329-L344 HydrophobicContact CG1-CD1 3.94Å; I329-L344 HydrophobicContact CG1-CD2 4.45Å; L344-I352 HydrophobicContact CB-CG2 3.85Å; L344-I352 HydrophobicContact CD2-CG2 4.07Å; L344-I352 HydrophobicContact CG-CG2 4.46Å; L344-E353 CarbonylContact C-O 3.48Å; L344-E353 WeakPolarHBondContact CA-O 3.27Å; L344-I354 HydrophobicContact CD2-CD1 4.44Å; L344-I354 HydrophobicContact CD2-CG1 3.88Å |
| 345 | V | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.5 | 177.8 | 177.1 | 0 | 0 | 0 | 0 | 109 | L6 F7 L10 R144 R347 E353 Y355 | L6-V345 HydrophobicContact CB-CG1 4.16Å; L6-V345 HydrophobicContact CD1-CG1 4.32Å; F7-V345 HydrophobicContact CE1-CG1 4.17Å; F7-V345 HydrophobicContact CZ-CG1 4.23Å; L10-V345 HydrophobicContact CD1-CG2 3.91Å; R144-V345 HydrophobicContact CG-CG2 4.46Å; V345-R347 HydrophobicContact CG1-CG 4.07Å; V345-E353 PolarHBondContact N-O 3.31Å; V345-E353 PolarHBondContact O-N 2.99Å; V345-Y355 HydrophobicContact CB-CD2 4.02Å; V345-Y355 HydrophobicContact CB-CE2 3.92Å; V345-Y355 HydrophobicContact CG1-CE2 4.45Å; V345-Y355 HydrophobicContact CG2-CD2 3.77Å; V345-Y355 HydrophobicContact CG2-CE2 4.1Å |
| 346 | W | 95.9 | Very high | 95.2 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 3% | 0.034 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139.2 | 173.1 | -179.2 | 54.9 | 0 | 0 | 0 | 110.4 | T132 F133 A139 F142 F143 Q349 I352 | T132-W346 HydrophobicContact CG2-CH2 4.14Å; T132-W346 HydrophobicContact CG2-CZ3 4.2Å; F133-W346 HydrophobicContact CB-CD2 4.13Å; F133-W346 HydrophobicContact CB-CE3 4.33Å; F133-W346 HydrophobicContact CB-CH2 4.48Å; F133-W346 HydrophobicContact CB-CZ2 4.32Å; F133-W346 HydrophobicContact CB-CZ3 4.48Å; F133-W346 AromaticContact CD2-CD1 3.63Å; F133-W346 HydrophobicContact CD2-CD2 4.15Å; F133-W346 AromaticContact CD2-CE2 3.66Å; F133-W346 HydrophobicContact CD2-CG 4.13Å; F133-W346 HydrophobicContact CD2-CZ2 4.21Å; F133-W346 AromaticContact CD2-NE1 3.36Å; F133-W346 AromaticContact CE2-NE1 3.91Å; A139-W346 HydrophobicContact CB-CH2 3.83Å; A139-W346 HydrophobicContact CB-CZ2 4.27Å; A139-W346 VanDerWaalsContact O-CH2 3.28Å; A139-W346 WeakPolarHBondContact O-CH2 3.19Å; A139-W346 WeakPolarHBondContact O-CZ2 3.38Å; F142-W346 CarbonylContact C-O 3.6Å; F142-W346 WeakPolarHBondContact CA-O 3Å; F142-W346 VanDerWaalsContact CB-O 3.26Å; F142-W346 WeakPolarHBondContact CB-O 3.45Å; F143-W346 HydrophobicContact CD1-CB 3.86Å; F143-W346 HydrophobicContact CD1-CD2 4.16Å; F143-W346 AromaticContact CD1-CE3 3.43Å; F143-W346 HydrophobicContact CD1-CE3 3.43Å; F143-W346 VanDerWaalsContact CD1-CE3 3.43Å; F143-W346 HydrophobicContact CD1-CG 4.38Å; F143-W346 HydrophobicContact CD1-CZ3 4.28Å; F143-W346 HydrophobicContact CD2-CB 4.16Å; F143-W346 HydrophobicContact CE1-CB 3.53Å; F143-W346 AromaticContact CE1-CD2 3.84Å; F143-W346 HydrophobicContact CE1-CD2 3.84Å; F143-W346 AromaticContact CE1-CE3 3.47Å; F143-W346 HydrophobicContact CE1-CE3 3.47Å; F143-W346 VanDerWaalsContact CE1-CE3 3.47Å; F143-W346 AromaticContact CE1-CG 3.91Å; F143-W346 HydrophobicContact CE1-CG 3.91Å; F143-W346 HydrophobicContact CE1-CZ3 4.37Å; F143-W346 HydrophobicContact CE2-CB 3.84Å; F143-W346 HydrophobicContact CG-CB 4.15Å; F143-W346 HydrophobicContact CG-CE3 4.49Å; F143-W346 HydrophobicContact CZ-CB 3.5Å; F143-W346 VanDerWaalsContact CZ-CB 3.5Å; F143-W346 HydrophobicContact CZ-CG 4.21Å; F143-W346 PolarHBondContact N-O 3.23Å; F143-W346 VanDerWaalsContact N-O 3.1Å; F143-W346 PolarHBondContact O-N 3.37Å; W346-Q349 PolarHBondContact NE1-O 2.74Å; W346-I352 HydrophobicContact CB-CG1 4.27Å |
| 347 | R | 92.4 | Very high | 95.2 | Very high | 100 Ų | 100 | 38.3 Ų | 38.3 | 38% | 0.377 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 46.7 | -174 | -62.5 | -178.9 | -69.5 | 152.7 | -1.7 | 111.8 | L6 G141 V345 Q349 E353 | L6-R347 HydrophobicContact CD1-CG 3.74Å; G141-R347 CarbonylContact O-C 3.59Å; V345-R347 HydrophobicContact CG1-CG 4.07Å; R347-Q349 PolarHBondContact O-N 3.34Å; R347-Q349 VanDerWaalsContact O-N 3.1Å; R347-E353 IonicContact CZ-OE2 3.42Å; R347-E353 IonicContact NE-OE2 2.97Å; R347-E353 PolarHBondContact NE-OE2 2.91Å; R347-E353 VanDerWaalsContact NH2-CD 3.29Å; R347-E353 IonicContact NH2-OE1 3.02Å; R347-E353 PolarHBondContact NH2-OE1 2.98Å; R347-E353 IonicContact NH2-OE2 2.79Å; R347-E353 PolarHBondContact NH2-OE2 2.99Å |
| 348 | G | 88.4 | Confident | 95.1 | Very high | 35 Ų | 35 | 34.8 Ų | 34.8 | 36% | 0.361 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 68.5 | 9.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G141 | G141-G348 WeakPolarHBondContact O-CA 3.45Å; G141-G348 PolarHBondContact O-N 2.95Å |
| 349 | Q | 90.6 | Very high | 94.7 | Very high | 103 Ų | 103 | 39 Ų | 39 | 48% | 0.481 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -88.4 | 165.4 | 178.9 | -65.1 | -62.5 | -26.2 | 0 | 0 | 111.2 | W346 R347 F351 | W346-Q349 PolarHBondContact NE1-O 2.74Å; R347-Q349 PolarHBondContact O-N 3.34Å; R347-Q349 VanDerWaalsContact O-N 3.1Å; Q349-F351 HydrophobicContact CB-CD1 3.91Å; Q349-F351 HydrophobicContact CB-CE1 3.64Å; Q349-F351 HydrophobicContact CB-CE2 4.33Å; Q349-F351 HydrophobicContact CB-CG 4.36Å; Q349-F351 HydrophobicContact CB-CZ 3.87Å; Q349-F351 HydrophobicContact CG-CE1 4.09Å; Q349-F351 HydrophobicContact CG-CZ 4Å; Q349-F351 PolarHBondContact O-N 3.48Å |
| 350 | Q | 93.5 | Very high | 94.3 | Very high | 100 Ų | 100 | 40 Ų | 40 | 47% | 0.467 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -79.7 | 26 | 176.8 | -63.4 | -66.5 | -19.6 | 0 | 0 | 113.1 | L20 G136 | L20-Q350 WeakPolarHBondContact CB-O 3.32Å; L20-Q350 PolarHBondContact N-O 2.8Å; G136-Q350 PolarHBondContact O-NE2 2.99Å |
| 351 | F | 95.4 | Very high | 94 | Very high | 65 Ų | 65 | 39 Ų | 39 | 29% | 0.285 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 153.2 | 178 | 57.2 | -91.5 | 0 | 0 | 0 | 111 | V17 I18 Q349 E353 | V17-F351 HydrophobicContact CB-CD2 4.49Å; V17-F351 HydrophobicContact CG1-CD2 4.25Å; I18-F351 WeakPolarHBondContact O-CA 3.48Å; Q349-F351 HydrophobicContact CB-CD1 3.91Å; Q349-F351 HydrophobicContact CB-CE1 3.64Å; Q349-F351 HydrophobicContact CB-CE2 4.33Å; Q349-F351 HydrophobicContact CB-CG 4.36Å; Q349-F351 HydrophobicContact CB-CZ 3.87Å; Q349-F351 HydrophobicContact CG-CE1 4.09Å; Q349-F351 HydrophobicContact CG-CZ 4Å; Q349-F351 PolarHBondContact O-N 3.48Å; F351-E353 HydrophobicContact CD2-CG 3.81Å; F351-E353 HydrophobicContact CE2-CG 3.58Å |
| 352 | I | 97.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 136.3 | 166.1 | -69.7 | 167.9 | 0 | 0 | 0 | 108.1 | V17 I18 L130 F133 F143 L325 L344 W346 | V17-I352 CarbonylContact C-O 3.58Å; V17-I352 VanDerWaalsContact CA-O 3.25Å; V17-I352 WeakPolarHBondContact CA-O 3.46Å; I18-I352 PolarHBondContact N-O 2.96Å; I18-I352 PolarHBondContact O-N 3.23Å; L130-I352 HydrophobicContact CD2-CD1 4.22Å; F133-I352 HydrophobicContact CD1-CD1 3.46Å; F133-I352 VanDerWaalsContact CD1-CD1 3.46Å; F133-I352 HydrophobicContact CD1-CG1 3.93Å; F133-I352 HydrophobicContact CD2-CG1 4.18Å; F133-I352 HydrophobicContact CE1-CD1 3.45Å; F133-I352 VanDerWaalsContact CE1-CD1 3.45Å; F133-I352 HydrophobicContact CE1-CG1 3.74Å; F133-I352 HydrophobicContact CE2-CG1 4Å; F133-I352 HydrophobicContact CG-CD1 4.03Å; F133-I352 HydrophobicContact CG-CG1 4.13Å; F133-I352 HydrophobicContact CZ-CD1 4.04Å; F133-I352 HydrophobicContact CZ-CG1 3.77Å; F143-I352 HydrophobicContact CE2-CD1 4.43Å; F143-I352 HydrophobicContact CZ-CD1 3.8Å; F143-I352 HydrophobicContact CZ-CG1 4.05Å; L325-I352 HydrophobicContact CD1-CD1 4.19Å; L325-I352 HydrophobicContact CD2-CD1 3.74Å; L344-I352 HydrophobicContact CB-CG2 3.85Å; L344-I352 HydrophobicContact CD2-CG2 4.07Å; L344-I352 HydrophobicContact CG-CG2 4.46Å; W346-I352 HydrophobicContact CB-CG1 4.27Å |
| 353 | E | 97.4 | Very high | 93.1 | Very high | 21 Ų | 21 | 40.4 Ų | 40.4 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 140.3 | 170.3 | -62.8 | 173.7 | 141.9 | 0 | 0 | 109.4 | P14 V17 L344 V345 R347 F351 Y355 | P14-E353 HydrophobicContact CB-CB 4.37Å; V17-E353 HydrophobicContact CG1-CG 4.15Å; L344-E353 CarbonylContact C-O 3.48Å; L344-E353 WeakPolarHBondContact CA-O 3.27Å; V345-E353 PolarHBondContact N-O 3.31Å; V345-E353 PolarHBondContact O-N 2.99Å; R347-E353 IonicContact CZ-OE2 3.42Å; R347-E353 IonicContact NE-OE2 2.97Å; R347-E353 PolarHBondContact NE-OE2 2.91Å; R347-E353 VanDerWaalsContact NH2-CD 3.29Å; R347-E353 IonicContact NH2-OE1 3.02Å; R347-E353 PolarHBondContact NH2-OE1 2.98Å; R347-E353 IonicContact NH2-OE2 2.79Å; R347-E353 PolarHBondContact NH2-OE2 2.99Å; F351-E353 HydrophobicContact CD2-CG 3.81Å; F351-E353 HydrophobicContact CE2-CG 3.58Å; E353-Y355 HydrophobicContact CB-CD2 4.09Å; E353-Y355 HydrophobicContact CB-CE2 3.38Å; E353-Y355 VanDerWaalsContact CD-OH 3.25Å; E353-Y355 HydrophobicContact CG-CE2 4.31Å; E353-Y355 PolarHBondContact OE2-OH 2.84Å |
| 354 | I | 98.1 | Very high | 93 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.9 | 173.9 | -50.8 | 179.4 | 0 | 0 | 0 | 107 | P14 F15 G16 I18 F332 T342 S343 L344 | P14-I354 CarbonylContact C-O 3.42Å; P14-I354 WeakPolarHBondContact CA-O 3.48Å; F15-I354 WeakPolarHBondContact CA-O 3.21Å; F15-I354 WeakPolarHBondContact CB-O 3.44Å; F15-I354 PolarHBondContact N-O 2.78Å; G16-I354 PolarHBondContact N-O 3.28Å; G16-I354 PolarHBondContact O-N 3.28Å; I18-I354 HydrophobicContact CD1-CD1 3.96Å; I18-I354 HydrophobicContact CG1-CD1 4.04Å; F332-I354 HydrophobicContact CD1-CD1 4.33Å; F332-I354 HydrophobicContact CD2-CD1 4.37Å; F332-I354 HydrophobicContact CE1-CD1 4.28Å; F332-I354 HydrophobicContact CE1-CG2 3.83Å; F332-I354 HydrophobicContact CE2-CD1 4.29Å; F332-I354 HydrophobicContact CG-CD1 4.38Å; F332-I354 HydrophobicContact CZ-CD1 4.27Å; F332-I354 HydrophobicContact CZ-CG2 3.85Å; T342-I354 HydrophobicContact CG2-CG2 4.29Å; S343-I354 WeakPolarHBondContact O-CA 3.37Å; L344-I354 HydrophobicContact CD2-CD1 4.44Å; L344-I354 HydrophobicContact CD2-CG1 3.88Å |
| 355 | Y | 97.7 | Very high | 92.9 | Very high | 9 Ų | 9 | 40.8 Ų | 40.8 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 145.5 | 174.6 | -67.8 | -94.1 | 0 | 0 | 0 | 110 | F7 L10 R11 P14 T342 S343 V345 E353 | F7-Y355 HydrophobicContact CD1-CE1 4.35Å; F7-Y355 HydrophobicContact CD1-CE2 4.35Å; F7-Y355 HydrophobicContact CE1-CE1 4.27Å; F7-Y355 AromaticContact CE1-CE2 3.83Å; F7-Y355 HydrophobicContact CE1-CE2 3.83Å; F7-Y355 AromaticContact CE1-CZ 3.63Å; L10-Y355 HydrophobicContact CB-CG 4.46Å; L10-Y355 HydrophobicContact CD1-CD2 4.29Å; L10-Y355 HydrophobicContact CD1-CG 4.09Å; R11-Y355 VanDerWaalsContact O-CD1 3.31Å; R11-Y355 WeakPolarHBondContact O-CD1 3.29Å; P14-Y355 HydrophobicContact CB-CD1 4.21Å; P14-Y355 HydrophobicContact CB-CE1 3.81Å; P14-Y355 HydrophobicContact CB-CE2 4.28Å; P14-Y355 HydrophobicContact CG-CE1 4.36Å; T342-Y355 CarbonylContact C-O 3.5Å; T342-Y355 WeakPolarHBondContact CA-O 3.44Å; T342-Y355 WeakPolarHBondContact CB-O 3.47Å; S343-Y355 PolarHBondContact N-O 2.8Å; S343-Y355 PolarHBondContact O-N 3.24Å; V345-Y355 HydrophobicContact CB-CD2 4.02Å; V345-Y355 HydrophobicContact CB-CE2 3.92Å; V345-Y355 HydrophobicContact CG1-CE2 4.45Å; V345-Y355 HydrophobicContact CG2-CD2 3.77Å; V345-Y355 HydrophobicContact CG2-CE2 4.1Å; E353-Y355 HydrophobicContact CB-CD2 4.09Å; E353-Y355 HydrophobicContact CB-CE2 3.38Å; E353-Y355 VanDerWaalsContact CD-OH 3.25Å; E353-Y355 HydrophobicContact CG-CE2 4.31Å; E353-Y355 PolarHBondContact OE2-OH 2.84Å |
| 356 | E | 96.5 | Very high | 92.8 | Very high | 34 Ų | 34 | 41.6 Ų | 41.6 | 16% | 0.159 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 136.9 | 167.4 | -166.4 | -173.2 | 135.6 | 0 | 0 | 109.3 | R11 V340 | R11-E356 HydrophobicContact CG-CB 4.13Å; R11-E356 VanDerWaalsContact CZ-CD 3.44Å; R11-E356 IonicContact CZ-OE1 3.28Å; R11-E356 VanDerWaalsContact CZ-OE1 3.28Å; R11-E356 IonicContact CZ-OE2 3.08Å; R11-E356 PolarHBondContact N-O 3.22Å; R11-E356 VanDerWaalsContact NE-CD 3.26Å; R11-E356 IonicContact NE-OE1 3.23Å; R11-E356 PolarHBondContact NE-OE1 3.25Å; R11-E356 IonicContact NE-OE2 3.18Å; R11-E356 PolarHBondContact NE-OE2 3.03Å; R11-E356 IonicContact NH1-OE2 3.65Å; R11-E356 VanDerWaalsContact NH2-CD 3.3Å; R11-E356 IonicContact NH2-OE1 2.74Å; R11-E356 PolarHBondContact NH2-OE1 2.81Å; R11-E356 IonicContact NH2-OE2 3.16Å; R11-E356 PolarHBondContact NH2-OE2 2.95Å; R11-E356 VanDerWaalsContact NH2-OE2 3.16Å; V340-E356 HydrophobicContact CG1-CG 4.48Å |
| 357 | K | 95.6 | Very high | 92.7 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 6% | 0.057 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -77.9 | 149.4 | 173.8 | -67.4 | -177.1 | 57.4 | 169.6 | 0 | 110.1 | L10 D146 K341 S343 A361 S362 | L10-K357 HydrophobicContact CD2-CB 4.41Å; L10-K357 HydrophobicContact CD2-CG 3.68Å; D146-K357 HydrophobicContact CB-CD 4.22Å; D146-K357 WeakPolarHBondContact OD2-CD 3.32Å; D146-K357 VanDerWaalsContact OD2-CE 3.24Å; D146-K357 WeakPolarHBondContact OD2-CE 3.34Å; D146-K357 IonicContact OD2-NZ 2.95Å; D146-K357 PolarHBondContact OD2-NZ 2.96Å; K341-K357 HydrophobicContact CB-CB 4.05Å; K341-K357 HydrophobicContact CB-CD 3.98Å; K341-K357 HydrophobicContact CB-CG 4.32Å; K341-K357 PolarHBondContact O-N 3.2Å; S343-K357 WeakPolarHBondContact OG-CG 3.45Å; K357-A361 HydrophobicContact CB-CB 4.09Å; K357-S362 PolarHBondContact NZ-O 3.47Å |
| 358 | A | 91.2 | Very high | 92.8 | Very high | 32 Ų | 32 | 45.1 Ų | 45.1 | 26% | 0.264 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 143.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | N9 A360 A361 | N9-A358 HydrophobicContact CB-CB 4.38Å; N9-A358 WeakPolarHBondContact O-CB 3.38Å; N9-A358 PolarHBondContact O-N 3.21Å; A358-A360 PolarHBondContact O-N 3.07Å; A358-A360 VanDerWaalsContact O-N 3.1Å; A358-A361 WeakPolarHBondContact O-CB 3.42Å; A358-A361 PolarHBondContact O-N 2.76Å |
| 359 | P | 84.6 | Confident | 93.2 | Very high | 132 Ų | 132 | 43.5 Ų | 43.5 | 86% | 0.857 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -32.2 | -178.2 | -28.7 | 35.3 | 0 | 0 | 0 | 114.5 | A361 | P359-A361 VanDerWaalsContact C-N 3.31Š|
| 360 | A | 84 | Confident | 93.4 | Very high | 105 Ų | 105 | 39.1 Ų | 39.1 | 87% | 0.868 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A358 | A358-A360 PolarHBondContact O-N 3.07Å; A358-A360 VanDerWaalsContact O-N 3.1Å |
| 361 | A | 86.9 | Confident | 93.5 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 7% | 0.066 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -68.2 | 140.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N9 K341 K357 A358 P359 | N9-A361 HydrophobicContact CB-CB 4.11Å; K341-A361 PolarHBondContact NZ-O 2.74Å; K357-A361 HydrophobicContact CB-CB 4.09Å; A358-A361 WeakPolarHBondContact O-CB 3.42Å; A358-A361 PolarHBondContact O-N 2.76Å; P359-A361 VanDerWaalsContact C-N 3.31Å |
| 362 | S | 85.5 | Confident | 93.5 | Very high | 59 Ų | 59 | 36.4 Ų | 36.4 | 41% | 0.413 | 22% | 0.221 | S | C | . | . | trans | -55 | 147.2 | 176.1 | 46.4 | 0 | 0 | 0 | 0 | 111.7 | K357 | K357-S362 PolarHBondContact NZ-O 3.47Š| ||
| 363 | G | 90.2 | Very high | 93.4 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 13% | 0.134 | 23% | 0.225 | C | C | . | . | trans | -86 | -169.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112 | E148 | E148-G363 WeakPolarHBondContact OE2-CA 3.38Š| ||
| 364 | A | 95.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -78.2 | -28.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C93 P94 M95 E148 L155 T157 | C93-A364 CarbonylContact C-O 3.53Å; C93-A364 VanDerWaalsContact CA-O 3.24Å; C93-A364 WeakPolarHBondContact CA-O 3.35Å; P94-A364 WeakPolarHBondContact CD-O 3.38Å; M95-A364 HydrophobicContact CB-CB 4.16Å; M95-A364 HydrophobicContact CG-CB 4.11Å; M95-A364 PolarHBondContact N-O 2.8Å; M95-A364 HydrophobicContact SD-CB 3.67Å; E148-A364 HydrophobicContact CG-CB 4.12Å; E148-A364 WeakPolarHBondContact OE1-CA 3.23Å; E148-A364 WeakPolarHBondContact OE1-CB 3.49Å; E148-A364 PolarHBondContact OE1-N 3.48Å; E148-A364 PolarHBondContact OE2-N 3.37Å; L155-A364 HydrophobicContact CB-CB 4.12Å; L155-A364 HydrophobicContact CD1-CB 3.91Å; T157-A364 WeakPolarHBondContact OG1-CB 3.3Å |
| 365 | I | 96.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 5% | 0.046 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -137.4 | 167.6 | -173.2 | 58.7 | 169.9 | 0 | 0 | 0 | 111.4 | M95 F99 I150 L155 M369 K370 L373 | M95-I365 HydrophobicContact CB-CG2 4.03Å; F99-I365 HydrophobicContact CD2-CG2 3.58Å; F99-I365 HydrophobicContact CE2-CG2 3.61Å; I150-I365 HydrophobicContact CD1-CD1 3.43Å; I150-I365 VanDerWaalsContact CD1-CD1 3.43Å; I150-I365 HydrophobicContact CD1-CG1 4.39Å; L155-I365 HydrophobicContact CD1-CD1 4.18Å; L155-I365 HydrophobicContact CD1-CG1 4.27Å; L155-I365 HydrophobicContact CD1-CG2 4.37Å; I365-M369 HydrophobicContact CB-CB 4.42Å; I365-M369 HydrophobicContact CB-CG 4.28Å; I365-M369 HydrophobicContact CD1-CB 4.22Å; I365-M369 HydrophobicContact CD1-CG 3.85Å; I365-K370 HydrophobicContact CD1-CB 3.85Å; I365-K370 HydrophobicContact CD1-CG 4.36Å; I365-K370 HydrophobicContact CG1-CB 4.29Å; I365-L373 HydrophobicContact CD1-CD1 3.67Å |
| 366 | S | 95.5 | Very high | 91.2 | Very high | 18 Ų | 18 | 45.9 Ų | 45.9 | 13% | 0.126 | 28% | 0.282 | C | S | . | . | trans | -68.3 | 156 | 172.9 | 68 | 0 | 0 | 0 | 0 | 112.3 | E96 I368 M369 K370 | E96-S366 PolarHBondContact OE1-OG 2.91Å; E96-S366 VanDerWaalsContact OE2-CB 3.31Å; E96-S366 WeakPolarHBondContact OE2-CB 3.46Å; E96-S366 PolarHBondContact OE2-N 2.92Å; E96-S366 PolarHBondContact OE2-OG 3.07Å; S366-I368 VanDerWaalsContact C-N 3.28Å; S366-I368 PolarHBondContact O-N 2.75Å; S366-I368 VanDerWaalsContact OG-CG1 3.24Å; S366-I368 WeakPolarHBondContact OG-CG1 3.2Å; S366-M369 PolarHBondContact O-N 3.12Å; S366-M369 WeakPolarHBondContact OG-CB 3.2Å; S366-M369 PolarHBondContact OG-N 2.98Å; S366-K370 WeakPolarHBondContact O-CB 3.34Å; S366-K370 PolarHBondContact O-N 2.78Å | ||
| 367 | E | 93.6 | Very high | 89.1 | Confident | 107 Ų | 107 | 47.8 Ų | 47.8 | 50% | 0.5 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66 | -31.4 | 179.2 | -161.8 | 63 | -160.2 | 0 | 0 | 112.1 | K370 N371 | E367-K370 PolarHBondContact O-N 3.1Å; E367-N371 WeakPolarHBondContact O-CB 3.45Å; E367-N371 PolarHBondContact O-N 2.92Å; E367-N371 PolarHBondContact O-ND2 3.26Å |
| 368 | I | 95.2 | Very high | 86.4 | Confident | 77 Ų | 77 | 52 Ų | 52 | 40% | 0.395 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 176.2 | 56.9 | 173.1 | 0 | 0 | 0 | 111.9 | T243 S366 K370 N371 H372 | T243-I368 HydrophobicContact CG2-CD1 3.95Å; S366-I368 VanDerWaalsContact C-N 3.28Å; S366-I368 PolarHBondContact O-N 2.75Å; S366-I368 VanDerWaalsContact OG-CG1 3.24Å; S366-I368 WeakPolarHBondContact OG-CG1 3.2Å; I368-K370 VanDerWaalsContact C-N 3.34Å; I368-N371 PolarHBondContact O-N 2.73Å; I368-H372 PolarHBondContact O-N 3.33Å; I368-H372 VanDerWaalsContact O-N 3.11Å |
| 369 | M | 96.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65 | -42.8 | 174.6 | 178.7 | 64.9 | 71.7 | 0 | 0 | 110.2 | E96 F99 F103 F241 I365 S366 N371 H372 L373 | E96-M369 WeakPolarHBondContact OE1-CB 3.24Å; E96-M369 VanDerWaalsContact OE1-CE 3.26Å; E96-M369 WeakPolarHBondContact OE1-CE 3.13Å; E96-M369 WeakPolarHBondContact OE2-CB 3.41Å; F99-M369 HydrophobicContact CB-CE 3.9Å; F99-M369 HydrophobicContact CB-CG 4.36Å; F99-M369 HydrophobicContact CB-SD 3.76Å; F99-M369 HydrophobicContact CG-SD 4.48Å; F103-M369 HydrophobicContact CD2-SD 4.39Å; F103-M369 HydrophobicContact CE2-SD 3.93Å; F241-M369 HydrophobicContact CD2-CE 4.16Å; F241-M369 HydrophobicContact CD2-SD 4.02Å; F241-M369 HydrophobicContact CE2-CE 4.5Å; F241-M369 HydrophobicContact CE2-SD 4.4Å; F241-M369 WeakPolarHBondContact O-CA 3.36Å; F241-M369 WeakPolarHBondContact O-CB 3.23Å; F241-M369 PolarHBondContact O-N 2.82Å; F241-M369 VanDerWaalsContact O-N 3.17Å; I365-M369 HydrophobicContact CB-CB 4.42Å; I365-M369 HydrophobicContact CB-CG 4.28Å; I365-M369 HydrophobicContact CD1-CB 4.22Å; I365-M369 HydrophobicContact CD1-CG 3.85Å; S366-M369 PolarHBondContact O-N 3.12Å; S366-M369 WeakPolarHBondContact OG-CB 3.2Å; S366-M369 PolarHBondContact OG-N 2.98Å; M369-N371 PolarHBondContact O-N 3.44Å; M369-H372 PolarHBondContact O-N 3.14Å; M369-L373 HydrophobicContact CG-CD1 3.77Å; M369-L373 HydrophobicContact CG-CG 4.34Å; M369-L373 WeakPolarHBondContact O-CB 3.23Å; M369-L373 VanDerWaalsContact O-CG 3.29Å; M369-L373 WeakPolarHBondContact O-CG 3.25Å; M369-L373 PolarHBondContact O-N 2.8Å; M369-L373 HydrophobicContact SD-CD1 4.08Å; M369-L373 HydrophobicContact SD-CG 4.17Å |
| 370 | K | 95.3 | Very high | 81.9 | Confident | 12 Ų | 12 | 53 Ų | 53 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 178.1 | -167.9 | 175.1 | -170.8 | -178.8 | 0 | 112.3 | I150 I365 S366 E367 I368 H372 L373 R374 | I150-K370 HydrophobicContact CD1-CG 4Å; I150-K370 HydrophobicContact CG1-CG 4.14Å; I365-K370 HydrophobicContact CD1-CB 3.85Å; I365-K370 HydrophobicContact CD1-CG 4.36Å; I365-K370 HydrophobicContact CG1-CB 4.29Å; S366-K370 WeakPolarHBondContact O-CB 3.34Å; S366-K370 PolarHBondContact O-N 2.78Å; E367-K370 PolarHBondContact O-N 3.1Å; I368-K370 VanDerWaalsContact C-N 3.34Å; K370-H372 VanDerWaalsContact C-N 3.34Å; K370-H372 PolarHBondContact O-N 3.25Å; K370-L373 PolarHBondContact O-N 3.1Å; K370-R374 WeakPolarHBondContact O-CG 3.42Å; K370-R374 PolarHBondContact O-N 2.75Å |
| 371 | N | 94.6 | Very high | 79.7 | Confident | 51 Ų | 51 | 52.6 Ų | 52.6 | 27% | 0.273 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 178.3 | -69.3 | -20.6 | 0 | 0 | 0 | 111.8 | E367 I368 M369 R374 G375 D376 V377 | E367-N371 WeakPolarHBondContact O-CB 3.45Å; E367-N371 PolarHBondContact O-N 2.92Å; E367-N371 PolarHBondContact O-ND2 3.26Å; I368-N371 PolarHBondContact O-N 2.73Å; M369-N371 PolarHBondContact O-N 3.44Å; N371-R374 PolarHBondContact O-N 3.17Å; N371-G375 PolarHBondContact O-N 2.97Å; N371-D376 HydrophobicContact CB-CB 4.45Å; N371-D376 PolarHBondContact O-N 2.83Å; N371-V377 HydrophobicContact CB-CG2 4.09Å |
| 372 | H | 95.3 | Very high | 77.4 | Confident | 56 Ų | 56 | 60.7 Ų | 60.7 | 26% | 0.259 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 174.6 | -178.4 | 75.3 | 0 | 0 | 0 | 111.9 | F103 F241 I368 M369 K370 R374 G375 V377 | F103-H372 AromaticContact CE1-NE2 3.62Å; F103-H372 AromaticContact CZ-CD2 3.55Å; F103-H372 AromaticContact CZ-NE2 3.59Å; F241-H372 HydrophobicContact CB-CB 3.64Å; F241-H372 HydrophobicContact CD1-CB 4.35Å; F241-H372 AromaticContact CD1-CE1 3.74Å; F241-H372 AromaticContact CD1-CG 3.71Å; F241-H372 AromaticContact CD1-ND1 3.5Å; F241-H372 HydrophobicContact CD2-CB 3.94Å; F241-H372 AromaticContact CD2-CD2 3.48Å; F241-H372 VanDerWaalsContact CD2-CD2 3.48Å; F241-H372 WeakPolarHBondContact CD2-CD2 3.18Å; F241-H372 AromaticContact CD2-CG 3.61Å; F241-H372 AromaticContact CE1-CE1 3.48Å; F241-H372 VanDerWaalsContact CE1-CE1 3.48Å; F241-H372 WeakPolarHBondContact CE1-CE1 3.45Å; F241-H372 AromaticContact CE1-ND1 3.76Å; F241-H372 AromaticContact CE1-NE2 3.65Å; F241-H372 AromaticContact CE2-CD2 3.42Å; F241-H372 VanDerWaalsContact CE2-CD2 3.42Å; F241-H372 WeakPolarHBondContact CE2-CD2 3.48Å; F241-H372 AromaticContact CE2-CG 3.97Å; F241-H372 AromaticContact CE2-NE2 3.65Å; F241-H372 HydrophobicContact CG-CB 3.71Å; F241-H372 AromaticContact CG-CD2 3.8Å; F241-H372 AromaticContact CG-CG 3.45Å; F241-H372 VanDerWaalsContact CG-CG 3.45Å; F241-H372 AromaticContact CG-ND1 3.77Å; F241-H372 AromaticContact CZ-CD2 3.7Å; F241-H372 AromaticContact CZ-CE1 3.75Å; F241-H372 AromaticContact CZ-NE2 3.4Å; F241-H372 WeakPolarHBondContact CZ-NE2 3.49Å; I368-H372 PolarHBondContact O-N 3.33Å; I368-H372 VanDerWaalsContact O-N 3.11Å; M369-H372 PolarHBondContact O-N 3.14Å; K370-H372 VanDerWaalsContact C-N 3.34Å; K370-H372 PolarHBondContact O-N 3.25Å; H372-R374 VanDerWaalsContact C-N 3.3Å; H372-R374 PolarHBondContact O-N 3.44Å; H372-G375 PolarHBondContact O-N 3.22Å; H372-V377 HydrophobicContact CB-CG2 4.36Å |
| 373 | L | 95.3 | Very high | 75 | Confident | 16 Ų | 16 | 64.6 Ų | 64.6 | 8% | 0.084 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.9 | -29.5 | 179.7 | -71.6 | 169.5 | 0 | 0 | 0 | 113.6 | F99 F103 F113 L115 I150 I365 M369 K370 G375 | F99-L373 HydrophobicContact CD1-CD1 4.11Å; F99-L373 HydrophobicContact CD1-CD2 4.27Å; F99-L373 HydrophobicContact CD2-CD1 4.37Å; F99-L373 HydrophobicContact CE1-CD1 4.24Å; F99-L373 HydrophobicContact CE2-CD1 4.46Å; F99-L373 HydrophobicContact CG-CD1 4.18Å; F99-L373 HydrophobicContact CZ-CD1 4.39Å; F103-L373 HydrophobicContact CE2-CD2 3.81Å; F103-L373 HydrophobicContact CZ-CD2 3.74Å; F113-L373 HydrophobicContact CE1-CD2 4.29Å; L115-L373 HydrophobicContact CB-CD2 4.05Å; L115-L373 HydrophobicContact CD2-CB 3.9Å; L115-L373 HydrophobicContact CD2-CD1 4.21Å; L115-L373 HydrophobicContact CD2-CD2 4.14Å; L115-L373 HydrophobicContact CD2-CG 4.31Å; I150-L373 HydrophobicContact CD1-CD1 4.09Å; I150-L373 HydrophobicContact CG2-CB 4.13Å; I365-L373 HydrophobicContact CD1-CD1 3.67Å; M369-L373 HydrophobicContact CG-CD1 3.77Å; M369-L373 HydrophobicContact CG-CG 4.34Å; M369-L373 WeakPolarHBondContact O-CB 3.23Å; M369-L373 VanDerWaalsContact O-CG 3.29Å; M369-L373 WeakPolarHBondContact O-CG 3.25Å; M369-L373 PolarHBondContact O-N 2.8Å; M369-L373 HydrophobicContact SD-CD1 4.08Å; M369-L373 HydrophobicContact SD-CG 4.17Å; K370-L373 PolarHBondContact O-N 3.1Å; L373-G375 VanDerWaalsContact C-N 3.27Å |
| 374 | R | 91.5 | Very high | 72.2 | Confident | 65 Ų | 65 | 73 Ų | 73 | 25% | 0.245 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68.8 | -27.4 | 170.7 | -73.8 | 179.4 | 174 | 156.2 | -8.5 | 112.9 | I150 E338 K370 N371 H372 D376 | I150-R374 HydrophobicContact CG2-CG 3.67Å; E338-R374 IonicContact OE1-CZ 3.06Å; E338-R374 VanDerWaalsContact OE1-CZ 3.29Å; E338-R374 IonicContact OE1-NE 3.29Å; E338-R374 PolarHBondContact OE1-NE 3.18Å; E338-R374 IonicContact OE1-NH2 3.92Å; E338-R374 PolarHBondContact OE1-NH2 3.34Å; K370-R374 WeakPolarHBondContact O-CG 3.42Å; K370-R374 PolarHBondContact O-N 2.75Å; N371-R374 PolarHBondContact O-N 3.17Å; H372-R374 VanDerWaalsContact C-N 3.3Å; H372-R374 PolarHBondContact O-N 3.44Å; R374-D376 HydrophobicContact CB-CB 4.39Å; R374-D376 WeakPolarHBondContact CB-OD2 3.31Å; R374-D376 WeakPolarHBondContact CD-OD2 3.39Å |
| 375 | G | 85.3 | Confident | 69.2 | Low | 56 Ų | 56 | 84.9 Ų | 84.9 | 58% | 0.577 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | 16.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N371 H372 L373 V377 | N371-G375 PolarHBondContact O-N 2.97Å; H372-G375 PolarHBondContact O-N 3.22Å; L373-G375 VanDerWaalsContact C-N 3.27Å; G375-V377 VanDerWaalsContact C-N 3.26Å; G375-V377 PolarHBondContact O-N 2.89Å |
| 376 | D | 69.5 | Low | 66.2 | Low | 100 Ų | 100 | 88.8 Ų | 88.8 | 54% | 0.535 | 50% | 0.502 | S | S | . | . | trans | -76.6 | -14.2 | -180 | -66.1 | -27.2 | 0 | 0 | 0 | 112.5 | N371 R374 P378 | N371-D376 HydrophobicContact CB-CB 4.45Å; N371-D376 PolarHBondContact O-N 2.83Å; R374-D376 HydrophobicContact CB-CB 4.39Å; R374-D376 WeakPolarHBondContact CB-OD2 3.31Å; R374-D376 WeakPolarHBondContact CD-OD2 3.39Å; D376-P378 WeakPolarHBondContact O-CD 3.36Å | ||
| 377 | V | 52.4 | Low | 63.5 | Low | 74 Ų | 74 | 98.3 Ų | 98.3 | 45% | 0.448 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -85.9 | 116.6 | 173.9 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | N371 H372 G375 A379 | N371-V377 HydrophobicContact CB-CG2 4.09Å; H372-V377 HydrophobicContact CB-CG2 4.36Å; G375-V377 VanDerWaalsContact C-N 3.26Å; G375-V377 PolarHBondContact O-N 2.89Å; V377-A379 PolarHBondContact O-N 3.01Å |
| 378 | P | 39.9 | Very low | 62 | Low | 100 Ų | 100 | 97.9 Ų | 97.9 | 65% | 0.649 | 56% | 0.561 | S | S | * | * | trans | -59.4 | 136.4 | 175 | -17.8 | 29.8 | 0 | 0 | 0 | 109.8 | D376 A380 | D376-P378 WeakPolarHBondContact O-CD 3.36Å; P378-A380 PolarHBondContact O-N 2.97Å | ||
| 379 | A | 44.2 | Very low | 60.2 | Low | 96 Ų | 96 | 99 Ų | 99 | 79% | 0.793 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -60.9 | 3.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V377 A381 | V377-A379 PolarHBondContact O-N 3.01Å; A379-A381 PolarHBondContact O-N 2.85Å |
| 380 | A | 37.6 | Very low | 58.2 | Low | 91 Ų | 91 | 104.5 Ų | 104.5 | 75% | 0.752 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 66.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P378 | P378-A380 PolarHBondContact O-N 2.97Š|
| 381 | A | 37.1 | Very low | 56 | Low | 95 Ų | 95 | 109.9 Ų | 109.9 | 79% | 0.785 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.6 | 13.9 | 148.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A379 | A379-A381 PolarHBondContact O-N 2.85Š|
| 382 | Q | 39 | Very low | 53.6 | Low | 179 Ų | 179 | 113.6 Ų | 113.6 | 84% | 0.836 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -93.1 | 8.9 | 178.3 | -76.6 | -169 | -22 | 0 | 0 | 114.2 | ||
| 383 | D | 34.3 | Very low | 50.8 | Low | 140 Ų | 140 | 117.5 Ų | 117.5 | 75% | 0.749 | 68% | 0.683 | S | S | * | * | trans | -127.3 | 34 | -173.8 | -105.8 | -17.4 | 0 | 0 | 0 | 115.2 | ||||
| 384 | E | 32.1 | Very low | 47.6 | Very low | 190 Ų | 190 | 124.7 Ų | 124.7 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -113.5 | 30.4 | 167.4 | -77.2 | -164.9 | 167.2 | 0 | 0 | 114.1 | ||
| 385 | R | 33 | Very low | 44.3 | Very low | 250 Ų | 250 | 129.3 Ų | 129.3 | 94% | 0.943 | 76% | 0.763 | S | S | * | * | trans | -132.8 | 63.2 | 162.2 | -69.3 | -169.3 | -176.3 | -175.9 | 2.7 | 111.3 | ||||
| 386 | S | 32.4 | Very low | 40.8 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | trans | -135.9 | 64.4 | 165.3 | 49.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 387 | V | 38.7 | Very low | 38.2 | Very low | 218 Ų | 218 | 138.6 Ų | 138.6 | 100% | 1.321 | 80% | 0.801 | S | S | * | * | trans | -142.9 | 0 | 150.5 | -174 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 387 of 387 residues in 82.3 ms
(Link to these results)