A0A093H1N9_STRCA Loading...

CUGBP Elav-like family member 4

AlphaFold DB , UniProt , Accession A0A093H1N9, Species STRCA (Struthio camelus australis), Gene n/a, Length 361 aa.

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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
1S37.9Very low59.3Low155 Ų155108.7 Ų108.7100%1.08455%0.551SS**  0115.10-55.20000110.1
2L36.6Very low62.2Low177 Ų177103.7 Ų103.793%0.92752%0.523SS*.  trans-134.887.6162.2-80.2174.3000106.6F4L2-F4 PolarHBondContact O-N 3.15Å
3Y35.9Very low64.6Low210 Ų21095.7 Ų95.782%0.82448%0.483SS*.  trans-66.8115.7162.9-77.6-91.9000106.2V5Y3-V5 PolarHBondContact O-N 2.95Å
4F37.7Very low66.6Low184 Ų18489.2 Ų89.281%0.80745%0.452SS*.  trans-69.385.3168.1-170.6-92.1000107.3L2 P6L2-F4 PolarHBondContact O-N 3.15Å; F4-P6 WeakPolarHBondContact O-CD 3.28Å
5V44.9Very low68.2Low87 Ų8790.6 Ų90.653%0.52746%0.458SS..  trans-57.2120.8167.1-177.70000105.2Y3 E7Y3-V5 PolarHBondContact O-N 2.95Å; V5-E7 PolarHBondContact O-N 2.83Å
6P54.3Low69.5Low85 Ų8585.4 Ų85.455%0.55243%0.432SS*.  trans-61108.4173.926-32000106.3F4 D8F4-P6 WeakPolarHBondContact O-CD 3.28Å; P6-D8 PolarHBondContact O-N 3.4Å
7E57.8Low70.5Confident106 Ų10682.3 Ų82.350%0.49542%0.417SS..  trans-52.5104.4-168.1-71.5-173.4122.900111.2V5 R9 H59V5-E7 PolarHBondContact O-N 2.83Å; E7-R9 VanDerWaalsContact C-N 3.34Å; E7-R9 HydrophobicContact CB-CG 4.09Å; E7-R9 WeakPolarHBondContact O-CG 3.31Å; E7-R9 PolarHBondContact O-N 3.17Å; E7-R9 IonicContact OE2-NE 3.6Å; E7-H59 HydrophobicContact CB-CB 4.18Å; E7-H59 HydrophobicContact CG-CB 4.43Å
8D73.3Confident71.4Confident51 Ų5185.9 Ų85.927%0.27343%0.429SS..  trans-70.296.8-179.8-77-55.6000107.5P6 H59 F86P6-D8 PolarHBondContact O-N 3.4Å; D8-H59 PolarHBondContact O-ND1 3.15Å; D8-F86 HydrophobicContact CB-CB 4.28Å; D8-F86 HydrophobicContact CB-CD1 3.58Å; D8-F86 HydrophobicContact CB-CE1 4.07Å; D8-F86 HydrophobicContact CB-CG 3.9Å; D8-F86 WeakPolarHBondContact O-CD1 3.44Å; D8-F86 WeakPolarHBondContact O-CE1 3.24Å
9R87.9Confident72.2Confident66 Ų6690.1 Ų90.125%0.24945%0.447CS..  trans-110.7-8.4-175.5-72.5-176.5-69.1138.5-0.8113.2E7 E36 K55 Y56 S57 H59E7-R9 VanDerWaalsContact C-N 3.34Å; E7-R9 HydrophobicContact CB-CG 4.09Å; E7-R9 WeakPolarHBondContact O-CG 3.31Å; E7-R9 PolarHBondContact O-N 3.17Å; E7-R9 IonicContact OE2-NE 3.6Å; R9-E36 IonicContact NH1-OE2 3.45Å; R9-K55 CarbonylContact O-C 3.55Å; R9-K55 VanDerWaalsContact O-CA 3.3Å; R9-K55 WeakPolarHBondContact O-CA 3.33Å; R9-Y56 PolarHBondContact O-N 3.04Å; R9-S57 WeakPolarHBondContact CD-O 3.41Å; R9-S57 PolarHBondContact NH1-O 3.31Å; R9-H59 HydrophobicContact CG-CB 4.21Å
10K92.2Very high72.8Confident75 Ų7586.8 Ų86.833%0.32643%0.43SS..EExtended strand (participates in β ladder)trans-98.9122.9175.7-167.3161.8-175.8160.50109E37 F53 V54 K55 A87K10-E37 WeakPolarHBondContact CE-OE1 3.47Å; K10-E37 IonicContact NZ-OE1 3.28Å; K10-E37 PolarHBondContact NZ-OE1 3.02Å; K10-F53 VanDerWaalsContact CE-CB 3.44Å; K10-F53 HydrophobicContact CG-CB 4.44Å; K10-F53 HydrophobicContact CG-CD1 4.44Å; K10-V54 CarbonylContact C-O 3.52Å; K10-V54 WeakPolarHBondContact CA-O 3.24Å; K10-K55 HydrophobicContact CB-CB 4.49Å; K10-K55 HydrophobicContact CB-CG 4.45Å; K10-K55 HydrophobicContact CG-CB 4.42Å; K10-A87 HydrophobicContact CB-CB 4.32Å; K10-A87 HydrophobicContact CG-CB 4.06Å; K10-A87 WeakPolarHBondContact O-CB 3.31Å; K10-A87 PolarHBondContact O-N 2.85Å
11L93.7Very high73.7Confident0 Ų084.4 Ų84.40%042%0.422CS..EExtended strand (participates in β ladder)trans-100.1144.4175.6-57.7-174.5000110.3F29 F53 V54 Y56 A62 A65 I66 V84 K85 F86L11-F29 HydrophobicContact CD1-CE1 4.15Å; L11-F53 VanDerWaalsContact O-CA 3.26Å; L11-F53 WeakPolarHBondContact O-CA 3.26Å; L11-V54 PolarHBondContact N-O 2.6Å; L11-V54 PolarHBondContact O-N 3.49Å; L11-Y56 HydrophobicContact CD1-CD2 4.17Å; L11-Y56 HydrophobicContact CD1-CE2 3.72Å; L11-Y56 HydrophobicContact CG-CE2 4.49Å; L11-A62 HydrophobicContact CD1-CB 4.4Å; L11-A62 HydrophobicContact CD2-CB 3.98Å; L11-A62 HydrophobicContact CG-CB 4.19Å; L11-A65 HydrophobicContact CD1-CB 3.97Å; L11-I66 HydrophobicContact CD1-CG1 4.2Å; L11-I66 HydrophobicContact CD2-CD1 3.59Å; L11-I66 HydrophobicContact CD2-CG1 3.73Å; L11-V84 HydrophobicContact CB-CG1 4.48Å; L11-V84 HydrophobicContact CD1-CG1 3.8Å; L11-K85 CarbonylContact C-O 3.54Å; L11-K85 WeakPolarHBondContact CA-O 3.44Å; L11-F86 HydrophobicContact CD2-CD1 3.57Å; L11-F86 HydrophobicContact CD2-CE1 3.81Å; L11-F86 HydrophobicContact CD2-CG 4.36Å
12F94.2Very high76.2Confident48 Ų4880 Ų8021%0.21138%0.384CS..EExtended strand (participates in β ladder)trans-94.7129.8159.8172.7-94.2000108.5C51 F53 V84 K85 A87F12-C51 HydrophobicContact CE2-CB 3.58Å; F12-C51 HydrophobicContact CZ-CB 3.58Å; F12-F53 HydrophobicContact CB-CD1 4.28Å; F12-F53 HydrophobicContact CB-CE1 4.06Å; F12-F53 HydrophobicContact CD2-CD1 4.36Å; F12-F53 AromaticContact CD2-CE1 3.79Å; F12-F53 HydrophobicContact CD2-CE1 3.79Å; F12-F53 HydrophobicContact CD2-CZ 4.01Å; F12-F53 HydrophobicContact CG-CE1 4.43Å; F12-V84 WeakPolarHBondContact O-CA 3.07Å; F12-K85 HydrophobicContact CB-CG 4.04Å; F12-K85 HydrophobicContact CD1-CD 4.28Å; F12-K85 HydrophobicContact CD1-CG 4.09Å; F12-K85 PolarHBondContact N-O 2.74Å; F12-K85 PolarHBondContact O-N 3.43Å; F12-A87 HydrophobicContact CB-CB 4.23Å
13V93.4Very high78.9Confident0 Ų076.7 Ų76.70%037%0.368CS..EExtended strand (participates in β ladder)trans-116.4101178.6-173.80000107.5L16 F29 C51 A52 V54 V84V13-L16 HydrophobicContact CB-CD1 4.37Å; V13-L16 HydrophobicContact CG1-CD1 4.02Å; V13-L16 HydrophobicContact CG1-CD2 3.89Å; V13-L16 HydrophobicContact CG1-CG 3.96Å; V13-F29 HydrophobicContact CB-CZ 4.2Å; V13-F29 HydrophobicContact CG1-CE2 3.99Å; V13-F29 HydrophobicContact CG1-CZ 3.72Å; V13-F29 HydrophobicContact CG2-CE1 3.64Å; V13-F29 HydrophobicContact CG2-CE2 4.11Å; V13-F29 HydrophobicContact CG2-CZ 3.35Å; V13-C51 CarbonylContact O-C 3.58Å; V13-C51 WeakPolarHBondContact O-CA 3.36Å; V13-C51 WeakPolarHBondContact O-CB 3.24Å; V13-A52 HydrophobicContact CB-CB 4.4Å; V13-A52 PolarHBondContact N-O 2.91Å; V13-A52 PolarHBondContact O-N 3.21Å; V13-V54 HydrophobicContact CG2-CB 4.44Å; V13-V54 HydrophobicContact CG2-CG2 3.86Å; V13-V84 HydrophobicContact CG1-CG2 4.37Å
14G92.1Very high81.5Confident5 Ų570.1 Ų70.15%0.05235%0.347CS..EExtended strand (participates in β ladder)trans-97.9168.5177.700000113.4L16 V83G14-L16 VanDerWaalsContact C-N 3.27Å; G14-L16 PolarHBondContact O-N 2.89Å; G14-V83 PolarHBondContact N-O 3.37Å; G14-V83 PolarHBondContact O-N 2.56Å
15M91.4Very high84.1Confident110 Ų11061.4 Ų61.454%0.54231%0.309SS..SBendtrans62.328.7-179.4-51.4-53-177.100114.5G50 S81 V83M15-G50 PolarHBondContact N-O 2.63Å; M15-G50 VanDerWaalsContact N-O 3.08Å; M15-S81 WeakPolarHBondContact CB-O 3.17Å; M15-V83 HydrophobicContact CG-CB 4.47Å; M15-V83 HydrophobicContact CG-CG2 3.71Å
16L88.8Confident86.4Confident8 Ų863.2 Ų63.24%0.04231%0.306CS..  trans-69.6141.5168-65.9169.2000110.1V13 G14 K18 V25 G50 A52 M75 L82V13-L16 HydrophobicContact CB-CD1 4.37Å; V13-L16 HydrophobicContact CG1-CD1 4.02Å; V13-L16 HydrophobicContact CG1-CD2 3.89Å; V13-L16 HydrophobicContact CG1-CG 3.96Å; G14-L16 VanDerWaalsContact C-N 3.27Å; G14-L16 PolarHBondContact O-N 2.89Å; L16-K18 PolarHBondContact O-N 3.08Å; L16-V25 HydrophobicContact CD1-CG2 3.77Å; L16-V25 HydrophobicContact CD2-CG2 3.98Å; L16-G50 PolarHBondContact N-O 3Å; L16-G50 WeakPolarHBondContact O-CA 3.26Å; L16-A52 HydrophobicContact CD1-CB 3.51Å; L16-M75 HydrophobicContact CD2-CE 3.69Å; L16-L82 HydrophobicContact CD2-CD2 3.74Å; L16-L82 HydrophobicContact CG-CD2 4.43Å
17N86.1Confident88.1Confident32 Ų3268.1 Ų68.117%0.17131%0.313CS..  trans-60.5133.8167.1171.62.2000108.9Q19 Q20 G77N17-Q19 PolarHBondContact O-N 3.17Å; N17-Q19 VanDerWaalsContact O-N 3.08Å; N17-Q19 PolarHBondContact OD1-N 3.2Å; N17-Q19 PolarHBondContact OD1-NE2 2.82Å; N17-Q20 HydrophobicContact CB-CG 3.88Å; N17-Q20 VanDerWaalsContact O-CB 3.26Å; N17-Q20 WeakPolarHBondContact O-CB 3.35Å; N17-Q20 WeakPolarHBondContact O-CG 3.26Å; N17-Q20 PolarHBondContact O-N 3.14Å; N17-G77 PolarHBondContact ND2-O 2.89Å
18K87.3Confident89.7Confident147 Ų14764.7 Ų64.764%0.63930%0.298SS*.THydrogen-bonded Turntrans-63.4-16.3-174.7-62.8-175.1179.2179.80114.3L16 S48L16-K18 PolarHBondContact O-N 3.08Å; K18-S48 WeakPolarHBondContact CD-O 3.41Å; K18-S48 WeakPolarHBondContact CG-O 3.38Å; K18-S48 WeakPolarHBondContact O-CB 3.25Å
19Q85.9Confident90.6Very high166 Ų16662.2 Ų62.278%0.77629%0.285SS*.THydrogen-bonded Turntrans-83.5-13.8176.1-66.7164.69600113.4N17N17-Q19 PolarHBondContact O-N 3.17Å; N17-Q19 VanDerWaalsContact O-N 3.08Å; N17-Q19 PolarHBondContact OD1-N 3.2Å; N17-Q19 PolarHBondContact OD1-NE2 2.82Å
20Q84.9Confident90.9Very high23 Ų2364.3 Ų64.311%0.10730%0.298CS..  trans-67.2139-178-67-73.9-17.500110.8N17 I40 M75N17-Q20 HydrophobicContact CB-CG 3.88Å; N17-Q20 VanDerWaalsContact O-CB 3.26Å; N17-Q20 WeakPolarHBondContact O-CB 3.35Å; N17-Q20 WeakPolarHBondContact O-CG 3.26Å; N17-Q20 PolarHBondContact O-N 3.14Å; Q20-I40 WeakPolarHBondContact O-CD1 3.44Å; Q20-M75 HydrophobicContact CB-CE 4.21Å; Q20-M75 HydrophobicContact CG-CE 3.82Å; Q20-M75 HydrophobicContact CG-SD 4.47Å
21S90.7Very high90.9Very high38 Ų3864.7 Ų64.727%0.26632%0.315SS..  trans-94.3168.6177.273.30000112.2D23 D24 V25 I40S21-D23 PolarHBondContact O-N 3.08Å; S21-D24 VanDerWaalsContact CB-OD2 3.28Å; S21-D24 WeakPolarHBondContact CB-OD2 3.42Å; S21-D24 PolarHBondContact N-OD2 3.36Å; S21-D24 PolarHBondContact O-N 3.44Å; S21-D24 VanDerWaalsContact OG-CG 3.26Å; S21-D24 PolarHBondContact OG-N 3.38Å; S21-D24 PolarHBondContact OG-OD2 3.14Å; S21-V25 WeakPolarHBondContact O-CG2 3.43Å; S21-V25 PolarHBondContact O-N 3.06Å; S21-V25 VanDerWaalsContact O-N 3.15Å; S21-I40 VanDerWaalsContact C-CD1 3.42Å
22E91.9Very high90.9Very high61 Ų6167.6 Ų67.629%0.28533%0.328SS..Hα-helixtrans-66-30.5176.7-77.8146.7106.500111.7R26 C38 T39 I40 R42E22-R26 VanDerWaalsContact O-CB 3.24Å; E22-R26 WeakPolarHBondContact O-CB 3.47Å; E22-R26 PolarHBondContact O-N 3.34Å; E22-C38 PolarHBondContact O-SG 3.42Å; E22-C38 VanDerWaalsContact O-SG 3.37Å; E22-T39 WeakPolarHBondContact OE1-CA 3.3Å; E22-I40 HydrophobicContact CG-CB 3.76Å; E22-I40 HydrophobicContact CG-CD1 3.93Å; E22-I40 HydrophobicContact CG-CG1 3.62Å; E22-I40 PolarHBondContact OE1-N 3.42Å; E22-R42 IonicContact OE2-CZ 3.33Å; E22-R42 IonicContact OE2-NE 2.65Å; E22-R42 IonicContact OE2-NH2 3.05Å; E22-R42 PolarHBondContact OE2-NH2 3.36Å
23D92Very high90.8Very high109 Ų10966.2 Ų66.258%0.58333%0.327SS*.Hα-helixtrans-67.6-45.8171.5-60.4-82.5000111.9S21 V25 R26 R27S21-D23 PolarHBondContact O-N 3.08Å; D23-V25 VanDerWaalsContact C-N 3.34Å; D23-V25 PolarHBondContact O-N 3.49Å; D23-R26 WeakPolarHBondContact O-CB 3.49Å; D23-R26 PolarHBondContact O-N 3.18Å; D23-R26 VanDerWaalsContact O-N 3.15Å; D23-R27 VanDerWaalsContact O-CG 3.31Å; D23-R27 WeakPolarHBondContact O-CG 3.36Å; D23-R27 PolarHBondContact O-N 3.32Å
24D91.1Very high90.8Very high72 Ų7270.8 Ų70.839%0.38535%0.351SS..Hα-helixtrans-59.8-44.9177.4-60.7-62.1000111.9S21 R26 R27 L28S21-D24 VanDerWaalsContact CB-OD2 3.28Å; S21-D24 WeakPolarHBondContact CB-OD2 3.42Å; S21-D24 PolarHBondContact N-OD2 3.36Å; S21-D24 PolarHBondContact O-N 3.44Å; S21-D24 VanDerWaalsContact OG-CG 3.26Å; S21-D24 PolarHBondContact OG-N 3.38Å; S21-D24 PolarHBondContact OG-OD2 3.14Å; D24-R26 VanDerWaalsContact C-N 3.34Å; D24-R27 PolarHBondContact O-N 3.05Å; D24-L28 PolarHBondContact O-N 3.3Å; D24-L28 VanDerWaalsContact O-N 3.08Å
25V91.4Very high91Very high0 Ų071.1 Ų71.10%035%0.352CS..Hα-helixtrans-63.2-42.2175.7176.90000110.6L16 S21 D23 R27 L28 F29 I40 A52 V54 M75L16-V25 HydrophobicContact CD1-CG2 3.77Å; L16-V25 HydrophobicContact CD2-CG2 3.98Å; S21-V25 WeakPolarHBondContact O-CG2 3.43Å; S21-V25 PolarHBondContact O-N 3.06Å; S21-V25 VanDerWaalsContact O-N 3.15Å; D23-V25 VanDerWaalsContact C-N 3.34Å; D23-V25 PolarHBondContact O-N 3.49Å; V25-R27 PolarHBondContact O-N 3.31Å; V25-L28 PolarHBondContact O-N 3.36Å; V25-F29 HydrophobicContact CG1-CD2 4.17Å; V25-F29 HydrophobicContact CG1-CE2 4.34Å; V25-F29 VanDerWaalsContact O-CD2 3.25Å; V25-F29 WeakPolarHBondContact O-CD2 3.38Å; V25-F29 PolarHBondContact O-N 2.97Å; V25-F29 VanDerWaalsContact O-N 3.14Å; V25-I40 HydrophobicContact CG2-CD1 4.25Å; V25-A52 HydrophobicContact CG1-CB 4.26Å; V25-V54 HydrophobicContact CG1-CG2 3.8Å; V25-M75 HydrophobicContact CG2-CE 4.04Å
26R93.4Very high91Very high125 Ų12570.2 Ų70.247%0.47235%0.346SS..Hα-helixtrans-61-44176.2-173.2-177.8-177.5164.83.4111.5E22 D23 D24 L28 F29 E30 I35E22-R26 VanDerWaalsContact O-CB 3.24Å; E22-R26 WeakPolarHBondContact O-CB 3.47Å; E22-R26 PolarHBondContact O-N 3.34Å; D23-R26 WeakPolarHBondContact O-CB 3.49Å; D23-R26 PolarHBondContact O-N 3.18Å; D23-R26 VanDerWaalsContact O-N 3.15Å; D24-R26 VanDerWaalsContact C-N 3.34Å; R26-L28 VanDerWaalsContact C-N 3.32Å; R26-L28 PolarHBondContact O-N 3.1Å; R26-F29 PolarHBondContact O-N 2.74Å; R26-F29 VanDerWaalsContact O-N 3.14Å; R26-E30 WeakPolarHBondContact O-CB 3.45Å; R26-E30 PolarHBondContact O-N 3.2Å; R26-I35 HydrophobicContact CB-CD1 4.43Å; R26-I35 HydrophobicContact CG-CD1 3.79Å; R26-I35 WeakPolarHBondContact O-CD1 3.4Å
27R91.4Very high91.2Very high188 Ų18873.4 Ų73.471%0.70936%0.361SS*.Hα-helixtrans-66.6-29.8179.4-68.6-163.977.2-157.90.9114D23 D24 V25 E30D23-R27 VanDerWaalsContact O-CG 3.31Å; D23-R27 WeakPolarHBondContact O-CG 3.36Å; D23-R27 PolarHBondContact O-N 3.32Å; D24-R27 PolarHBondContact O-N 3.05Å; V25-R27 PolarHBondContact O-N 3.31Å; R27-E30 WeakPolarHBondContact CA-OE1 3.41Å
28L90Very high91.5Very high34 Ų3473.1 Ų73.118%0.17836%0.361CS..Hα-helixtrans-73.8-33172.3179.762.6000112.3D24 V25 R26 F32 L69 M75 L82D24-L28 PolarHBondContact O-N 3.3Å; D24-L28 VanDerWaalsContact O-N 3.08Å; V25-L28 PolarHBondContact O-N 3.36Å; R26-L28 VanDerWaalsContact C-N 3.32Å; R26-L28 PolarHBondContact O-N 3.1Å; L28-F32 WeakPolarHBondContact O-CE2 3.44Å; L28-L69 HydrophobicContact CD1-CD2 3.93Å; L28-L69 HydrophobicContact CD2-CD2 4.4Å; L28-L69 HydrophobicContact CG-CD1 4.14Å; L28-L69 HydrophobicContact CG-CD2 4.12Å; L28-M75 HydrophobicContact CD2-CE 4.21Å; L28-M75 HydrophobicContact CD2-CG 3.82Å; L28-M75 HydrophobicContact CD2-SD 3.94Å; L28-L82 HydrophobicContact CD2-CD1 3.71Å
29F93.3Very high91.8Very high0 Ų069 Ų690%035%0.348CS..Hα-helixtrans-92.5-26.8-174-82.1-113.1000113.3L11 V13 V25 R26 A31 F32 I35 V54 Y56 A65 L69 V84L11-F29 HydrophobicContact CD1-CE1 4.15Å; V13-F29 HydrophobicContact CB-CZ 4.2Å; V13-F29 HydrophobicContact CG1-CE2 3.99Å; V13-F29 HydrophobicContact CG1-CZ 3.72Å; V13-F29 HydrophobicContact CG2-CE1 3.64Å; V13-F29 HydrophobicContact CG2-CE2 4.11Å; V13-F29 HydrophobicContact CG2-CZ 3.35Å; V25-F29 HydrophobicContact CG1-CD2 4.17Å; V25-F29 HydrophobicContact CG1-CE2 4.34Å; V25-F29 VanDerWaalsContact O-CD2 3.25Å; V25-F29 WeakPolarHBondContact O-CD2 3.38Å; V25-F29 PolarHBondContact O-N 2.97Å; V25-F29 VanDerWaalsContact O-N 3.14Å; R26-F29 PolarHBondContact O-N 2.74Å; R26-F29 VanDerWaalsContact O-N 3.14Å; F29-A31 PolarHBondContact O-N 3.23Å; F29-F32 PolarHBondContact O-N 2.78Å; F29-I35 HydrophobicContact CB-CD1 3.61Å; F29-V54 HydrophobicContact CB-CG1 4.18Å; F29-V54 HydrophobicContact CD1-CB 4.12Å; F29-V54 HydrophobicContact CD1-CG1 3.88Å; F29-V54 HydrophobicContact CD1-CG2 4.07Å; F29-V54 HydrophobicContact CE1-CG2 4.37Å; F29-V54 HydrophobicContact CG-CG1 4.24Å; F29-V54 HydrophobicContact CG-CG2 4.24Å; F29-Y56 WeakPolarHBondContact CB-OH 3.48Å; F29-Y56 HydrophobicContact CD1-CE2 4.17Å; F29-Y56 VanDerWaalsContact CD1-OH 3.32Å; F29-Y56 WeakPolarHBondContact CD1-OH 3.18Å; F29-Y56 PolarHBondContact O-OH 3.48Å; F29-A65 HydrophobicContact CD1-CB 4.26Å; F29-A65 HydrophobicContact CE1-CB 4.39Å; F29-L69 HydrophobicContact CD1-CD1 4.05Å; F29-L69 HydrophobicContact CD2-CD1 3.7Å; F29-L69 HydrophobicContact CE1-CD1 3.82Å; F29-L69 HydrophobicContact CE2-CD1 3.48Å; F29-L69 VanDerWaalsContact CE2-CD1 3.48Å; F29-L69 HydrophobicContact CG-CD1 3.98Å; F29-L69 HydrophobicContact CZ-CD1 3.51Å; F29-V84 HydrophobicContact CE1-CG1 3.94Å; F29-V84 HydrophobicContact CE1-CG2 4.48Å; F29-V84 HydrophobicContact CZ-CG1 4.14Å; F29-V84 HydrophobicContact CZ-CG2 3.87Å
30E93.8Very high92.2Very high109 Ų10961.4 Ų61.451%0.50931%0.313SS..G310 helixtrans-60.3-24.1-177.267.5177.492.400113.6R26 R27 F32 G33 I35R26-E30 WeakPolarHBondContact O-CB 3.45Å; R26-E30 PolarHBondContact O-N 3.2Å; R27-E30 WeakPolarHBondContact CA-OE1 3.41Å; E30-F32 PolarHBondContact O-N 2.78Å; E30-G33 PolarHBondContact O-N 3.34Å; E30-I35 HydrophobicContact CB-CD1 4.28Å
31A91.9Very high92.5Very high84 Ų8462.9 Ų62.969%0.69432%0.322SS*.G310 helixtrans-63.5-17.1175.300000114.2F29F29-A31 PolarHBondContact O-N 3.23Å
32F93.3Very high92.6Very high61 Ų6166.5 Ų66.527%0.26833%0.329SS..G310 helixtrans-106.2-6.2-177.6-56-78000113.7L28 F29 E30 A65 A68 L69L28-F32 WeakPolarHBondContact O-CE2 3.44Å; F29-F32 PolarHBondContact O-N 2.78Å; E30-F32 PolarHBondContact O-N 2.78Å; F32-A65 HydrophobicContact CB-CB 3.85Å; F32-A65 HydrophobicContact CD2-CB 4.32Å; F32-A65 HydrophobicContact CG-CB 4.09Å; F32-A68 HydrophobicContact CD1-CB 4.03Å; F32-A68 HydrophobicContact CE1-CB 3.23Å; F32-A68 HydrophobicContact CZ-CB 3.61Å; F32-L69 HydrophobicContact CD2-CD1 3.99Å; F32-L69 HydrophobicContact CD2-CG 4.39Å; F32-L69 HydrophobicContact CE2-CD1 3.63Å; F32-L69 HydrophobicContact CE2-CD2 3.87Å; F32-L69 HydrophobicContact CE2-CG 3.69Å; F32-L69 HydrophobicContact CZ-CD1 4.46Å; F32-L69 HydrophobicContact CZ-CD2 4.07Å; F32-L69 HydrophobicContact CZ-CG 4.04Å
33G92.4Very high92.5Very high18 Ų1864.4 Ų64.419%0.18632%0.324CS..SBendtrans154.4177.8178.800000113.8E30 Y56 E61E30-G33 PolarHBondContact O-N 3.34Å; G33-Y56 WeakPolarHBondContact O-CE1 3.09Å; G33-E61 WeakPolarHBondContact CA-OE1 3.15Å
34N94.3Very high92.3Very high96 Ų9666.2 Ų66.251%0.51334%0.342SS..  trans-80.4123.4-178.2169.173.9000111.9Y56 S57 E61N34-Y56 WeakPolarHBondContact O-CA 3.17Å; N34-Y56 WeakPolarHBondContact O-CD1 3.48Å; N34-S57 WeakPolarHBondContact CB-OG 3.35Å; N34-S57 PolarHBondContact ND2-OG 2.79Å; N34-S57 PolarHBondContact O-N 3.18Å; N34-S57 PolarHBondContact O-OG 3.45Å; N34-S57 VanDerWaalsContact O-OG 3.12Å; N34-E61 PolarHBondContact N-OE1 2.73Å
35I94.9Very high92.2Very high13 Ų1367.8 Ų67.87%0.06735%0.35CS..EExtended strand (participates in β ladder)trans-91.5115.9-177.2-61.1167.1000109.9R26 F29 E30 E37 C38 V54 K55 Y56R26-I35 HydrophobicContact CB-CD1 4.43Å; R26-I35 HydrophobicContact CG-CD1 3.79Å; R26-I35 WeakPolarHBondContact O-CD1 3.4Å; F29-I35 HydrophobicContact CB-CD1 3.61Å; E30-I35 HydrophobicContact CB-CD1 4.28Å; I35-E37 WeakPolarHBondContact CG2-O 3.45Å; I35-C38 HydrophobicContact CG2-CB 4.19Å; I35-V54 HydrophobicContact CD1-CG1 4.17Å; I35-V54 HydrophobicContact CG1-CG1 4.03Å; I35-V54 HydrophobicContact CG2-CG1 3.99Å; I35-K55 CarbonylContact C-O 3.58Å; I35-K55 WeakPolarHBondContact CA-O 3.38Å; I35-Y56 HydrophobicContact CG1-CD1 4.24Å; I35-Y56 HydrophobicContact CG1-CE1 3.87Å
36E93.3Very high91.9Very high90 Ų9069.9 Ų69.942%0.42137%0.371SS..EExtended strand (participates in β ladder)trans-79.2-32.9172.8-68.1-170.1119.100112.7R9 K55R9-E36 IonicContact NH1-OE2 3.45Å; E36-K55 PolarHBondContact N-O 3.4Å; E36-K55 IonicContact OE2-NZ 3.84Å; E36-K55 PolarHBondContact OE2-NZ 3.12Å
37E91.2Very high91.7Very high75 Ų7568.8 Ų68.835%0.3538%0.375SS..EExtended strand (participates in β ladder)trans-149.2131.9-176.9-170.7-176.484.900109.7K10 I35 V54 K55K10-E37 WeakPolarHBondContact CE-OE1 3.47Å; K10-E37 IonicContact NZ-OE1 3.28Å; K10-E37 PolarHBondContact NZ-OE1 3.02Å; I35-E37 WeakPolarHBondContact CG2-O 3.45Å; E37-V54 CarbonylContact O-C 3.54Å; E37-V54 WeakPolarHBondContact O-CA 3.44Å; E37-K55 HydrophobicContact CB-CB 3.8Å; E37-K55 HydrophobicContact CB-CD 4.39Å; E37-K55 PolarHBondContact N-O 2.77Å; E37-K55 PolarHBondContact O-N 3.35Å
38C93.7Very high91.7Very high26 Ų2660.1 Ų60.118%0.17634%0.343CS..EExtended strand (participates in β ladder)trans-130.5133.2167.9-177.50000107.5E22 I35 F53E22-C38 PolarHBondContact O-SG 3.42Å; E22-C38 VanDerWaalsContact O-SG 3.37Å; I35-C38 HydrophobicContact CG2-CB 4.19Å; C38-F53 WeakPolarHBondContact CA-O 3.25Å
39T93Very high91.8Very high60 Ų6064.6 Ų64.637%0.36836%0.361SS..EExtended strand (participates in β ladder)trans-152.6125.3-179-51.20000110.8E22 A52 F53E22-T39 WeakPolarHBondContact OE1-CA 3.3Å; T39-A52 CarbonylContact O-C 3.55Å; T39-A52 VanDerWaalsContact O-CA 3.24Å; T39-A52 WeakPolarHBondContact O-CA 3.3Å; T39-A52 WeakPolarHBondContact O-CB 3.39Å; T39-F53 PolarHBondContact N-O 2.91Å; T39-F53 PolarHBondContact O-N 2.86Å
40I93.6Very high91.6Very high7 Ų765 Ų654%0.03637%0.366CS..EExtended strand (participates in β ladder)trans-82.5132.5173.7-78.3175.7000109.6Q20 S21 E22 V25 R42 S48 A52Q20-I40 WeakPolarHBondContact O-CD1 3.44Å; S21-I40 VanDerWaalsContact C-CD1 3.42Å; E22-I40 HydrophobicContact CG-CB 3.76Å; E22-I40 HydrophobicContact CG-CD1 3.93Å; E22-I40 HydrophobicContact CG-CG1 3.62Å; E22-I40 PolarHBondContact OE1-N 3.42Å; V25-I40 HydrophobicContact CG2-CD1 4.25Å; I40-R42 HydrophobicContact CG2-CG 4.05Å; I40-R42 PolarHBondContact O-N 2.87Å; I40-S48 WeakPolarHBondContact CG2-OG 3.32Å; I40-A52 HydrophobicContact CG1-CB 3.88Å
41L91.8Very high91.6Very high55 Ų5560.5 Ų60.529%0.28835%0.346SS..EExtended strand (participates in β ladder)trans-78.1107.8175.9-168.470.3000109.2K49 C51L41-K49 HydrophobicContact CD2-CD 4.13Å; L41-K49 HydrophobicContact CG-CD 4.11Å; L41-K49 VanDerWaalsContact O-CB 3.24Å; L41-K49 WeakPolarHBondContact O-CB 3.38Å; L41-K49 WeakPolarHBondContact O-CG 3.22Å; L41-K49 PolarHBondContact O-N 2.89Å; L41-C51 PolarHBondContact N-O 3Å
42R92.6Very high91.7Very high114 Ų11456.5 Ų56.543%0.4331%0.313SS..EExtended strand (participates in β ladder)trans-97.1154.6177.9-61.6175-170.8-85-2.6111.2E22 I40 G46 N47E22-R42 IonicContact OE2-CZ 3.33Å; E22-R42 IonicContact OE2-NE 2.65Å; E22-R42 IonicContact OE2-NH2 3.05Å; E22-R42 PolarHBondContact OE2-NH2 3.36Å; I40-R42 HydrophobicContact CG2-CG 4.05Å; I40-R42 PolarHBondContact O-N 2.87Å; R42-G46 WeakPolarHBondContact CD-O 3.32Å; R42-N47 CarbonylContact C-O 3.46Å; R42-N47 VanDerWaalsContact CA-O 3.26Å; R42-N47 WeakPolarHBondContact CA-O 3.29Å
43G89.3Confident91.8Very high17 Ų1755.1 Ų55.118%0.17531%0.307CS..  trans-79.7174.4170.800000112.4D45 G46 N47G43-D45 VanDerWaalsContact C-OD1 3.3Å; G43-D45 VanDerWaalsContact CA-OD1 3.25Å; G43-D45 WeakPolarHBondContact CA-OD1 3.18Å; G43-D45 PolarHBondContact O-N 3.12Å; G43-G46 PolarHBondContact O-N 3.49Å; G43-N47 PolarHBondContact N-O 3.37Å
44P88.2Confident91.9Very high146 Ų14654.3 Ų54.395%0.94830%0.298SS*.THydrogen-bonded Turntrans-64.3-19.2174.429.9-35.6000112.8G46P44-G46 VanDerWaalsContact C-N 3.29Å
45D89.3Confident91.8Very high106 Ų10652.4 Ų52.457%0.56729%0.285SS*.THydrogen-bonded Turntrans-82.43171.759.5-37000113.6G43 N47G43-D45 VanDerWaalsContact C-OD1 3.3Å; G43-D45 VanDerWaalsContact CA-OD1 3.25Å; G43-D45 WeakPolarHBondContact CA-OD1 3.18Å; G43-D45 PolarHBondContact O-N 3.12Å; D45-N47 PolarHBondContact O-N 3.34Å; D45-N47 VanDerWaalsContact O-N 3.1Å; D45-N47 WeakPolarHBondContact OD2-CB 3.31Å; D45-N47 PolarHBondContact OD2-ND2 2.73Å
46G85.8Confident91.8Very high43 Ų4351.8 Ų51.844%0.44328%0.282SS..SBendtrans76.5-15.1-179.700000115.2R42 G43 P44R42-G46 WeakPolarHBondContact CD-O 3.32Å; G43-G46 PolarHBondContact O-N 3.49Å; P44-G46 VanDerWaalsContact C-N 3.29Å
47N89.4Confident91.7Very high102 Ų10249.5 Ų49.555%0.54528%0.276SS..  trans-65.5143.3178.6-72-48000112.2R42 G43 D45 K49R42-N47 CarbonylContact C-O 3.46Å; R42-N47 VanDerWaalsContact CA-O 3.26Å; R42-N47 WeakPolarHBondContact CA-O 3.29Å; G43-N47 PolarHBondContact N-O 3.37Å; D45-N47 PolarHBondContact O-N 3.34Å; D45-N47 VanDerWaalsContact O-N 3.1Å; D45-N47 WeakPolarHBondContact OD2-CB 3.31Å; D45-N47 PolarHBondContact OD2-ND2 2.73Å; N47-K49 PolarHBondContact O-N 2.94Å
48S90.8Very high91.6Very high6 Ų648 Ų484%0.04227%0.274CS..EExtended strand (participates in β ladder)trans-64.3134.2173.1177.80000111K18 I40 G50K18-S48 WeakPolarHBondContact CD-O 3.41Å; K18-S48 WeakPolarHBondContact CG-O 3.38Å; K18-S48 WeakPolarHBondContact O-CB 3.25Å; I40-S48 WeakPolarHBondContact CG2-OG 3.32Å; S48-G50 PolarHBondContact O-N 3.24Å; S48-G50 PolarHBondContact OG-N 2.84Å
49K91.4Very high91.3Very high128 Ų12849.6 Ų49.656%0.55728%0.279SS*.EExtended strand (participates in β ladder)trans-81.57.4173.5-60.4-175.265.3175.50113.1L41 N47 C51L41-K49 HydrophobicContact CD2-CD 4.13Å; L41-K49 HydrophobicContact CG-CD 4.11Å; L41-K49 VanDerWaalsContact O-CB 3.24Å; L41-K49 WeakPolarHBondContact O-CB 3.38Å; L41-K49 WeakPolarHBondContact O-CG 3.22Å; L41-K49 PolarHBondContact O-N 2.89Å; N47-K49 PolarHBondContact O-N 2.94Å; K49-C51 VanDerWaalsContact C-N 3.29Å
50G90.6Very high91.3Very high10 Ų1049.9 Ų49.910%0.10329%0.287CS..EExtended strand (participates in β ladder)trans69.328.1-176.700000113.1M15 L16 S48M15-G50 PolarHBondContact N-O 2.63Å; M15-G50 VanDerWaalsContact N-O 3.08Å; L16-G50 PolarHBondContact N-O 3Å; L16-G50 WeakPolarHBondContact O-CA 3.26Å; S48-G50 PolarHBondContact O-N 3.24Å; S48-G50 PolarHBondContact OG-N 2.84Å
51C92.8Very high91.3Very high13 Ų1351.5 Ų51.59%0.08829%0.294CS..EExtended strand (participates in β ladder)trans-150.2153.717457.90000112.5F12 V13 L41 K49F12-C51 HydrophobicContact CE2-CB 3.58Å; F12-C51 HydrophobicContact CZ-CB 3.58Å; V13-C51 CarbonylContact O-C 3.58Å; V13-C51 WeakPolarHBondContact O-CA 3.36Å; V13-C51 WeakPolarHBondContact O-CB 3.24Å; L41-C51 PolarHBondContact N-O 3Å; K49-C51 VanDerWaalsContact C-N 3.29Å
52A94.3Very high91.3Very high0 Ų048.9 Ų48.90%028%0.281CS..EExtended strand (participates in β ladder)trans-135.6166.1-179.700000110.9V13 L16 V25 T39 I40V13-A52 HydrophobicContact CB-CB 4.4Å; V13-A52 PolarHBondContact N-O 2.91Å; V13-A52 PolarHBondContact O-N 3.21Å; L16-A52 HydrophobicContact CD1-CB 3.51Å; V25-A52 HydrophobicContact CG1-CB 4.26Å; T39-A52 CarbonylContact O-C 3.55Å; T39-A52 VanDerWaalsContact O-CA 3.24Å; T39-A52 WeakPolarHBondContact O-CA 3.3Å; T39-A52 WeakPolarHBondContact O-CB 3.39Å; I40-A52 HydrophobicContact CG1-CB 3.88Å
53F94.5Very high91.3Very high33 Ų3346.4 Ų46.415%0.14527%0.274CS..EExtended strand (participates in β ladder)trans-113.3138.2161.4-64.9-79.9000109.9K10 L11 F12 C38 T39 A87K10-F53 VanDerWaalsContact CE-CB 3.44Å; K10-F53 HydrophobicContact CG-CB 4.44Å; K10-F53 HydrophobicContact CG-CD1 4.44Å; L11-F53 VanDerWaalsContact O-CA 3.26Å; L11-F53 WeakPolarHBondContact O-CA 3.26Å; F12-F53 HydrophobicContact CB-CD1 4.28Å; F12-F53 HydrophobicContact CB-CE1 4.06Å; F12-F53 HydrophobicContact CD2-CD1 4.36Å; F12-F53 AromaticContact CD2-CE1 3.79Å; F12-F53 HydrophobicContact CD2-CE1 3.79Å; F12-F53 HydrophobicContact CD2-CZ 4.01Å; F12-F53 HydrophobicContact CG-CE1 4.43Å; C38-F53 WeakPolarHBondContact CA-O 3.25Å; T39-F53 PolarHBondContact N-O 2.91Å; T39-F53 PolarHBondContact O-N 2.86Å; F53-A87 HydrophobicContact CD1-CB 3.8Å; F53-A87 HydrophobicContact CE1-CB 3.76Å
54V94.8Very high91.6Very high0 Ų047.7 Ų47.70%028%0.283CS..EExtended strand (participates in β ladder)trans-127.4129.8175.5-179.70000107.9K10 L11 V13 V25 F29 I35 E37 Y56K10-V54 CarbonylContact C-O 3.52Å; K10-V54 WeakPolarHBondContact CA-O 3.24Å; L11-V54 PolarHBondContact N-O 2.6Å; L11-V54 PolarHBondContact O-N 3.49Å; V13-V54 HydrophobicContact CG2-CB 4.44Å; V13-V54 HydrophobicContact CG2-CG2 3.86Å; V25-V54 HydrophobicContact CG1-CG2 3.8Å; F29-V54 HydrophobicContact CB-CG1 4.18Å; F29-V54 HydrophobicContact CD1-CB 4.12Å; F29-V54 HydrophobicContact CD1-CG1 3.88Å; F29-V54 HydrophobicContact CD1-CG2 4.07Å; F29-V54 HydrophobicContact CE1-CG2 4.37Å; F29-V54 HydrophobicContact CG-CG1 4.24Å; F29-V54 HydrophobicContact CG-CG2 4.24Å; I35-V54 HydrophobicContact CD1-CG1 4.17Å; I35-V54 HydrophobicContact CG1-CG1 4.03Å; I35-V54 HydrophobicContact CG2-CG1 3.99Å; E37-V54 CarbonylContact O-C 3.54Å; E37-V54 WeakPolarHBondContact O-CA 3.44Å; V54-Y56 HydrophobicContact CG1-CE2 4.1Å
55K93.1Very high91.8Very high56 Ų5640.8 Ų40.824%0.24324%0.238CC..EExtended strand (participates in β ladder)trans-118.4124.7179.7-175.1171.2165.4-82.70109.9R9 K10 I35 E36 E37R9-K55 CarbonylContact O-C 3.55Å; R9-K55 VanDerWaalsContact O-CA 3.3Å; R9-K55 WeakPolarHBondContact O-CA 3.33Å; K10-K55 HydrophobicContact CB-CB 4.49Å; K10-K55 HydrophobicContact CB-CG 4.45Å; K10-K55 HydrophobicContact CG-CB 4.42Å; I35-K55 CarbonylContact C-O 3.58Å; I35-K55 WeakPolarHBondContact CA-O 3.38Å; E36-K55 PolarHBondContact N-O 3.4Å; E36-K55 IonicContact OE2-NZ 3.84Å; E36-K55 PolarHBondContact OE2-NZ 3.12Å; E37-K55 HydrophobicContact CB-CB 3.8Å; E37-K55 HydrophobicContact CB-CD 4.39Å; E37-K55 PolarHBondContact N-O 2.77Å; E37-K55 PolarHBondContact O-N 3.35Å
56Y94.2Very high92.1Very high0 Ų036.7 Ų36.70%022%0.216CC..EExtended strand (participates in β ladder)trans-93.8161.4176.2-73.8-81.5000112.6R9 L11 F29 G33 N34 I35 V54 S58 E61 A62 A65R9-Y56 PolarHBondContact O-N 3.04Å; L11-Y56 HydrophobicContact CD1-CD2 4.17Å; L11-Y56 HydrophobicContact CD1-CE2 3.72Å; L11-Y56 HydrophobicContact CG-CE2 4.49Å; F29-Y56 WeakPolarHBondContact CB-OH 3.48Å; F29-Y56 HydrophobicContact CD1-CE2 4.17Å; F29-Y56 VanDerWaalsContact CD1-OH 3.32Å; F29-Y56 WeakPolarHBondContact CD1-OH 3.18Å; F29-Y56 PolarHBondContact O-OH 3.48Å; G33-Y56 WeakPolarHBondContact O-CE1 3.09Å; N34-Y56 WeakPolarHBondContact O-CA 3.17Å; N34-Y56 WeakPolarHBondContact O-CD1 3.48Å; I35-Y56 HydrophobicContact CG1-CD1 4.24Å; I35-Y56 HydrophobicContact CG1-CE1 3.87Å; V54-Y56 HydrophobicContact CG1-CE2 4.1Å; Y56-S58 VanDerWaalsContact C-N 3.33Å; Y56-E61 HydrophobicContact CD1-CB 3.69Å; Y56-E61 HydrophobicContact CE1-CB 4.34Å; Y56-E61 HydrophobicContact CG-CB 3.86Å; Y56-A62 VanDerWaalsContact CD2-CA 3.5Å; Y56-A62 HydrophobicContact CD2-CB 3.77Å; Y56-A62 HydrophobicContact CG-CB 4.39Å; Y56-A65 HydrophobicContact CE2-CB 3.69Å; Y56-A65 WeakPolarHBondContact OH-CB 3.1Å
57S91Very high92.4Very high42 Ų4240.3 Ų40.329%0.29423%0.225SC..SBendtrans-61.8-3816921.70000113R9 N34 E61R9-S57 WeakPolarHBondContact CD-O 3.41Å; R9-S57 PolarHBondContact NH1-O 3.31Å; N34-S57 WeakPolarHBondContact CB-OG 3.35Å; N34-S57 PolarHBondContact ND2-OG 2.79Å; N34-S57 PolarHBondContact O-N 3.18Å; N34-S57 PolarHBondContact O-OG 3.45Å; N34-S57 VanDerWaalsContact O-OG 3.12Å; S57-E61 WeakPolarHBondContact CB-OE2 3.49Å; S57-E61 PolarHBondContact N-OE2 2.93Å; S57-E61 PolarHBondContact OG-OE1 3.08Å; S57-E61 PolarHBondContact OG-OE2 2.83Å
58S89Confident92.5Very high43 Ų4337.7 Ų37.730%0.30122%0.218SC..SBendtrans-128.8153.1-174.5178.90000113Y56 A60 E61 A62Y56-S58 VanDerWaalsContact C-N 3.33Å; S58-A60 VanDerWaalsContact C-N 3.32Å; S58-A60 PolarHBondContact OG-N 2.86Å; S58-E61 VanDerWaalsContact CB-OE2 3.29Å; S58-E61 WeakPolarHBondContact CB-OE2 3.46Å; S58-E61 PolarHBondContact N-OE2 3.49Å; S58-A62 PolarHBondContact O-N 2.84Å
59H88.4Confident92.5Very high60 Ų6037.6 Ų37.628%0.27822%0.217SC..Hα-helixtrans-67.3-33.2176177.671.9000112.1E7 D8 R9 E61 A62 Q63 F86E7-H59 HydrophobicContact CB-CB 4.18Å; E7-H59 HydrophobicContact CG-CB 4.43Å; D8-H59 PolarHBondContact O-ND1 3.15Å; R9-H59 HydrophobicContact CG-CB 4.21Å; H59-E61 PolarHBondContact O-N 2.68Å; H59-A62 PolarHBondContact O-N 3.39Å; H59-Q63 PolarHBondContact O-N 3.28Å; H59-F86 AromaticContact CE1-CE1 3.75Å; H59-F86 AromaticContact CE1-CE2 3.99Å; H59-F86 AromaticContact CE1-CZ 3.31Å; H59-F86 WeakPolarHBondContact CE1-CZ 3.45Å; H59-F86 AromaticContact ND1-CE1 3.75Å; H59-F86 AromaticContact ND1-CZ 3.78Å
60A91.7Very high92.5Very high66 Ų6636.6 Ų36.655%0.54521%0.214SC..Hα-helixtrans-63.8-41178.400000112.3S58 Q63 A64S58-A60 VanDerWaalsContact C-N 3.32Å; S58-A60 PolarHBondContact OG-N 2.86Å; A60-Q63 PolarHBondContact O-N 2.84Å; A60-A64 WeakPolarHBondContact O-CB 3.29Å; A60-A64 PolarHBondContact O-N 2.74Å
61E94Very high92.3Very high41 Ų4138 Ų3819%0.19223%0.229CC..Hα-helixtrans-61.6-46174.2-61.3173.7118.300110.8G33 N34 Y56 S57 S58 H59 Q63 A64 A65G33-E61 WeakPolarHBondContact CA-OE1 3.15Å; N34-E61 PolarHBondContact N-OE1 2.73Å; Y56-E61 HydrophobicContact CD1-CB 3.69Å; Y56-E61 HydrophobicContact CE1-CB 4.34Å; Y56-E61 HydrophobicContact CG-CB 3.86Å; S57-E61 WeakPolarHBondContact CB-OE2 3.49Å; S57-E61 PolarHBondContact N-OE2 2.93Å; S57-E61 PolarHBondContact OG-OE1 3.08Å; S57-E61 PolarHBondContact OG-OE2 2.83Å; S58-E61 VanDerWaalsContact CB-OE2 3.29Å; S58-E61 WeakPolarHBondContact CB-OE2 3.46Å; S58-E61 PolarHBondContact N-OE2 3.49Å; H59-E61 PolarHBondContact O-N 2.68Å; E61-Q63 PolarHBondContact O-N 3.37Å; E61-A64 PolarHBondContact O-N 3.34Å; E61-A65 PolarHBondContact O-N 2.91Å
62A92.4Very high91.8Very high0 Ų039.1 Ų39.10%024%0.237CC..Hα-helixtrans-61.7-41.6177.200000112.5L11 Y56 S58 H59 A65 I66 F86L11-A62 HydrophobicContact CD1-CB 4.4Å; L11-A62 HydrophobicContact CD2-CB 3.98Å; L11-A62 HydrophobicContact CG-CB 4.19Å; Y56-A62 VanDerWaalsContact CD2-CA 3.5Å; Y56-A62 HydrophobicContact CD2-CB 3.77Å; Y56-A62 HydrophobicContact CG-CB 4.39Å; S58-A62 PolarHBondContact O-N 2.84Å; H59-A62 PolarHBondContact O-N 3.39Å; A62-A65 PolarHBondContact O-N 3.31Å; A62-I66 WeakPolarHBondContact O-CG1 3.41Å; A62-I66 PolarHBondContact O-N 2.95Å; A62-F86 HydrophobicContact CB-CE1 3.99Å
63Q93.2Very high91Very high63 Ų6344.8 Ų44.829%0.29426%0.263SS..Hα-helixtrans-68.6-39.1176.6-171.862.660.200112.4H59 A60 E61 A65 I66 N67 F86H59-Q63 PolarHBondContact O-N 3.28Å; A60-Q63 PolarHBondContact O-N 2.84Å; E61-Q63 PolarHBondContact O-N 3.37Å; Q63-A65 VanDerWaalsContact C-N 3.34Å; Q63-A65 PolarHBondContact O-N 3.01Å; Q63-I66 PolarHBondContact O-N 3.06Å; Q63-N67 PolarHBondContact NE2-OD1 3.47Å; Q63-N67 PolarHBondContact O-N 3.32Å; Q63-N67 PolarHBondContact O-OD1 3.45Å; Q63-F86 HydrophobicContact CB-CZ 4.44Å; Q63-F86 VanDerWaalsContact OE1-CE2 3.25Å; Q63-F86 VanDerWaalsContact OE1-CZ 3.26Å
64A93.7Very high89.8Confident44 Ų4446.5 Ų46.536%0.36428%0.276SS..Hα-helixtrans-60.6-43.9174.700000111.4A60 E61 N67 A68A60-A64 WeakPolarHBondContact O-CB 3.29Å; A60-A64 PolarHBondContact O-N 2.74Å; E61-A64 PolarHBondContact O-N 3.34Å; A64-N67 PolarHBondContact O-N 2.98Å; A64-A68 PolarHBondContact O-N 3.49Å; A64-A68 VanDerWaalsContact O-N 3.09Å
65A94.1Very high88.5Confident0 Ų047.2 Ų47.20%028%0.28CS..Hα-helixtrans-63.3-40.7175.800000113L11 F29 F32 Y56 E61 A62 Q63 L69L11-A65 HydrophobicContact CD1-CB 3.97Å; F29-A65 HydrophobicContact CD1-CB 4.26Å; F29-A65 HydrophobicContact CE1-CB 4.39Å; F32-A65 HydrophobicContact CB-CB 3.85Å; F32-A65 HydrophobicContact CD2-CB 4.32Å; F32-A65 HydrophobicContact CG-CB 4.09Å; Y56-A65 HydrophobicContact CE2-CB 3.69Å; Y56-A65 WeakPolarHBondContact OH-CB 3.1Å; E61-A65 PolarHBondContact O-N 2.91Å; A62-A65 PolarHBondContact O-N 3.31Å; Q63-A65 VanDerWaalsContact C-N 3.34Å; Q63-A65 PolarHBondContact O-N 3.01Å; A65-L69 VanDerWaalsContact O-CB 3.29Å; A65-L69 WeakPolarHBondContact O-CB 3.33Å; A65-L69 PolarHBondContact O-N 3.39Å
66I93.9Very high86.9Confident20 Ų2049.7 Ų49.710%0.10330%0.302CS..Hα-helixtrans-58.1-52.7172-68.5164000109.9L11 A62 Q63 A68 L69 H70 V84 F86L11-I66 HydrophobicContact CD1-CG1 4.2Å; L11-I66 HydrophobicContact CD2-CD1 3.59Å; L11-I66 HydrophobicContact CD2-CG1 3.73Å; A62-I66 WeakPolarHBondContact O-CG1 3.41Å; A62-I66 PolarHBondContact O-N 2.95Å; Q63-I66 PolarHBondContact O-N 3.06Å; I66-A68 PolarHBondContact O-N 3.44Å; I66-L69 PolarHBondContact O-N 2.87Å; I66-H70 HydrophobicContact CG2-CB 4.32Å; I66-H70 WeakPolarHBondContact O-CB 3.06Å; I66-H70 PolarHBondContact O-N 3.28Å; I66-V84 HydrophobicContact CG1-CG1 3.97Å; I66-F86 HydrophobicContact CD1-CD1 3.96Å; I66-F86 HydrophobicContact CD1-CD2 3.78Å; I66-F86 HydrophobicContact CD1-CE1 3.68Å; I66-F86 HydrophobicContact CD1-CE2 3.5Å; I66-F86 HydrophobicContact CD1-CG 4Å; I66-F86 HydrophobicContact CD1-CZ 3.44Å; I66-F86 VanDerWaalsContact CD1-CZ 3.44Å
67N92.6Very high85.4Confident120 Ų12052.5 Ų52.564%0.64233%0.331SS*.Hα-helixtrans-62.5-30.3-173.3-68-5.4000113.3Q63 A64Q63-N67 PolarHBondContact NE2-OD1 3.47Å; Q63-N67 PolarHBondContact O-N 3.32Å; Q63-N67 PolarHBondContact O-OD1 3.45Å; A64-N67 PolarHBondContact O-N 2.98Å
68A91.1Very high84Confident47 Ų4751.4 Ų51.439%0.38832%0.324SS..Hα-helixtrans-93.9-32.5-178.200000114.5F32 A64 I66F32-A68 HydrophobicContact CD1-CB 4.03Å; F32-A68 HydrophobicContact CE1-CB 3.23Å; F32-A68 HydrophobicContact CZ-CB 3.61Å; A64-A68 PolarHBondContact O-N 3.49Å; A64-A68 VanDerWaalsContact O-N 3.09Å; I66-A68 PolarHBondContact O-N 3.44Å
69L91.3Very high82.9Confident4 Ų454.9 Ų54.92%0.02135%0.349CS..Hα-helixtrans-105.9-20.2-172.9-61.9177.2000113.9L28 F29 F32 A65 I66 G71 S72 V84L28-L69 HydrophobicContact CD1-CD2 3.93Å; L28-L69 HydrophobicContact CD2-CD2 4.4Å; L28-L69 HydrophobicContact CG-CD1 4.14Å; L28-L69 HydrophobicContact CG-CD2 4.12Å; F29-L69 HydrophobicContact CD1-CD1 4.05Å; F29-L69 HydrophobicContact CD2-CD1 3.7Å; F29-L69 HydrophobicContact CE1-CD1 3.82Å; F29-L69 HydrophobicContact CE2-CD1 3.48Å; F29-L69 VanDerWaalsContact CE2-CD1 3.48Å; F29-L69 HydrophobicContact CG-CD1 3.98Å; F29-L69 HydrophobicContact CZ-CD1 3.51Å; F32-L69 HydrophobicContact CD2-CD1 3.99Å; F32-L69 HydrophobicContact CD2-CG 4.39Å; F32-L69 HydrophobicContact CE2-CD1 3.63Å; F32-L69 HydrophobicContact CE2-CD2 3.87Å; F32-L69 HydrophobicContact CE2-CG 3.69Å; F32-L69 HydrophobicContact CZ-CD1 4.46Å; F32-L69 HydrophobicContact CZ-CD2 4.07Å; F32-L69 HydrophobicContact CZ-CG 4.04Å; A65-L69 VanDerWaalsContact O-CB 3.29Å; A65-L69 WeakPolarHBondContact O-CB 3.33Å; A65-L69 PolarHBondContact O-N 3.39Å; I66-L69 PolarHBondContact O-N 2.87Å; L69-G71 PolarHBondContact O-N 3.09Å; L69-S72 WeakPolarHBondContact O-CB 3.41Å; L69-S72 PolarHBondContact O-N 3.23Å; L69-S72 VanDerWaalsContact O-N 3.12Å; L69-V84 HydrophobicContact CB-CG2 3.77Å
70H91.2Very high82.5Confident106 Ų10654.9 Ų54.949%0.49136%0.355SS..THydrogen-bonded Turntrans-64.8128.4175-173.295.8000110.9I66 S72 V84I66-H70 HydrophobicContact CG2-CB 4.32Å; I66-H70 WeakPolarHBondContact O-CB 3.06Å; I66-H70 PolarHBondContact O-N 3.28Å; H70-S72 PolarHBondContact O-N 3.33Å; H70-V84 HydrophobicContact CB-CB 4.27Å; H70-V84 PolarHBondContact ND1-N 3.01Å; H70-V84 PolarHBondContact ND1-O 2.9Å
71G87.4Confident82.3Confident41 Ų4154.1 Ų54.142%0.42335%0.346SS..THydrogen-bonded Turntrans79.4-5.8-176.400000114.1L69 S81 L82L69-G71 PolarHBondContact O-N 3.09Å; G71-S81 WeakPolarHBondContact O-CB 3.39Å; G71-S81 PolarHBondContact O-OG 2.99Å; G71-L82 PolarHBondContact N-O 2.79Å
72S82.8Confident82.2Confident36 Ų3652.2 Ų52.225%0.25234%0.337SS..  trans-85.4147.5-175.4-161.30000112.9L69 H70 T74 L82L69-S72 WeakPolarHBondContact O-CB 3.41Å; L69-S72 PolarHBondContact O-N 3.23Å; L69-S72 VanDerWaalsContact O-N 3.12Å; H70-S72 PolarHBondContact O-N 3.33Å; S72-T74 WeakPolarHBondContact OG-CG2 3.03Å; S72-L82 PolarHBondContact O-N 3.47Å
73Q76.2Confident82.2Confident118 Ų11854.2 Ų54.255%0.55135%0.349SS*.  trans-109.850.7174.6-69.4-167.3113.400111.1M75Q73-M75 PolarHBondContact O-N 2.94Å
74T69.3Low82.2Confident69 Ų6951.3 Ų51.342%0.42334%0.336SS..  trans-76.81.4-177.336.30000115.2S72S72-T74 WeakPolarHBondContact OG-CG2 3.03Å
75M67.1Low82.2Confident16 Ų1653.9 Ų53.98%0.07934%0.339CS..SBendtrans-109.1124.6-173.5-77.9-73.9-126.800112.1L16 Q20 V25 L28 Q73 G77 A78 L82L16-M75 HydrophobicContact CD2-CE 3.69Å; Q20-M75 HydrophobicContact CB-CE 4.21Å; Q20-M75 HydrophobicContact CG-CE 3.82Å; Q20-M75 HydrophobicContact CG-SD 4.47Å; V25-M75 HydrophobicContact CG2-CE 4.04Å; L28-M75 HydrophobicContact CD2-CE 4.21Å; L28-M75 HydrophobicContact CD2-CG 3.82Å; L28-M75 HydrophobicContact CD2-SD 3.94Å; Q73-M75 PolarHBondContact O-N 2.94Å; M75-G77 PolarHBondContact O-N 3.1Å; M75-A78 HydrophobicContact CB-CB 3.82Å; M75-A78 VanDerWaalsContact O-CB 3.3Å; M75-A78 WeakPolarHBondContact O-CB 3.34Å; M75-A78 PolarHBondContact O-N 3.24Å; M75-L82 HydrophobicContact CG-CD1 4.07Å; M75-L82 HydrophobicContact CG-CD2 4.35Å
76P60Low82.1Confident108 Ų10856.5 Ų56.570%0.70135%0.35SS*.THydrogen-bonded Turntrans-55.5128.4173.4-2635000112.3A78P76-A78 VanDerWaalsContact C-N 3.26Å; P76-A78 PolarHBondContact O-N 2.83Å
77G63.9Low81.9Confident59 Ų5956 Ų5661%0.60835%0.349SS*.THydrogen-bonded Turntrans71.811.1-17800000115.2N17 M75 S79N17-G77 PolarHBondContact ND2-O 2.89Å; M75-G77 PolarHBondContact O-N 3.1Å; G77-S79 PolarHBondContact O-N 2.87Å
78A61Low81.3Confident19 Ų1953.2 Ų53.216%0.15733%0.334CS..  trans-73.5116.7167.100000110M75 P76 S80M75-A78 HydrophobicContact CB-CB 3.82Å; M75-A78 VanDerWaalsContact O-CB 3.3Å; M75-A78 WeakPolarHBondContact O-CB 3.34Å; M75-A78 PolarHBondContact O-N 3.24Å; P76-A78 VanDerWaalsContact C-N 3.26Å; P76-A78 PolarHBondContact O-N 2.83Å; A78-S80 PolarHBondContact O-N 2.85Å
79S65.4Low80.5Confident116 Ų11653.8 Ų53.881%0.81133%0.333SS*.SBendtrans-829.2175.1-45.90000113.2G77G77-S79 PolarHBondContact O-N 2.87Å
80S80.8Confident79.2Confident60 Ų6059.6 Ų59.642%0.4236%0.364SS..SBendtrans-160148.8-172.9-64.80000110.7A78A78-S80 PolarHBondContact O-N 2.85Å
81S87.9Confident77.7Confident50 Ų5063 Ų6335%0.3538%0.378SS..  trans-59.1137.8170.6-70.10000112.9M15 G71M15-S81 WeakPolarHBondContact CB-O 3.17Å; G71-S81 WeakPolarHBondContact O-CB 3.39Å; G71-S81 PolarHBondContact O-OG 2.99Å
82L90.9Very high76.7Confident0 Ų065 Ų650%038%0.376CS..  trans-64.1137.3175.8-62.4-180000111.2L16 L28 G71 S72 M75 V84L16-L82 HydrophobicContact CD2-CD2 3.74Å; L16-L82 HydrophobicContact CG-CD2 4.43Å; L28-L82 HydrophobicContact CD2-CD1 3.71Å; G71-L82 PolarHBondContact N-O 2.79Å; S72-L82 PolarHBondContact O-N 3.47Å; M75-L82 HydrophobicContact CG-CD1 4.07Å; M75-L82 HydrophobicContact CG-CD2 4.35Å; L82-V84 HydrophobicContact CB-CG2 4.3Å
83V92.4Very high76Confident43 Ų4369.9 Ų69.926%0.26139%0.389SS..EExtended strand (participates in β ladder)trans-105.689.8177.1178.50000108.7G14 M15G14-V83 PolarHBondContact N-O 3.37Å; G14-V83 PolarHBondContact O-N 2.56Å; M15-V83 HydrophobicContact CG-CB 4.47Å; M15-V83 HydrophobicContact CG-CG2 3.71Å
84V93.8Very high75.4Confident1 Ų167.7 Ų67.71%0.00638%0.383CS..EExtended strand (participates in β ladder)trans-97124.3178.5-168.30000109.8L11 F12 V13 F29 I66 L69 H70 L82L11-V84 HydrophobicContact CB-CG1 4.48Å; L11-V84 HydrophobicContact CD1-CG1 3.8Å; F12-V84 WeakPolarHBondContact O-CA 3.07Å; V13-V84 HydrophobicContact CG1-CG2 4.37Å; F29-V84 HydrophobicContact CE1-CG1 3.94Å; F29-V84 HydrophobicContact CE1-CG2 4.48Å; F29-V84 HydrophobicContact CZ-CG1 4.14Å; F29-V84 HydrophobicContact CZ-CG2 3.87Å; I66-V84 HydrophobicContact CG1-CG1 3.97Å; L69-V84 HydrophobicContact CB-CG2 3.77Å; H70-V84 HydrophobicContact CB-CB 4.27Å; H70-V84 PolarHBondContact ND1-N 3.01Å; H70-V84 PolarHBondContact ND1-O 2.9Å; L82-V84 HydrophobicContact CB-CG2 4.3Å
85K93.1Very high75.1Confident98 Ų9869.1 Ų69.143%0.42639%0.387SS..EExtended strand (participates in β ladder)trans-150.416617962.5168.788.6176.80110L11 F12 A87L11-K85 CarbonylContact C-O 3.54Å; L11-K85 WeakPolarHBondContact CA-O 3.44Å; F12-K85 HydrophobicContact CB-CG 4.04Å; F12-K85 HydrophobicContact CD1-CD 4.28Å; F12-K85 HydrophobicContact CD1-CG 4.09Å; F12-K85 PolarHBondContact N-O 2.74Å; F12-K85 PolarHBondContact O-N 3.43Å; K85-A87 PolarHBondContact O-N 3.22Å
86F92.6Very high75.4Confident56 Ų5674.2 Ų74.225%0.24641%0.405CS..EExtended strand (participates in β ladder)trans-59.5137.5163.8-63.3-63.8000110.6D8 L11 H59 A62 Q63 I66D8-F86 HydrophobicContact CB-CB 4.28Å; D8-F86 HydrophobicContact CB-CD1 3.58Å; D8-F86 HydrophobicContact CB-CE1 4.07Å; D8-F86 HydrophobicContact CB-CG 3.9Å; D8-F86 WeakPolarHBondContact O-CD1 3.44Å; D8-F86 WeakPolarHBondContact O-CE1 3.24Å; L11-F86 HydrophobicContact CD2-CD1 3.57Å; L11-F86 HydrophobicContact CD2-CE1 3.81Å; L11-F86 HydrophobicContact CD2-CG 4.36Å; H59-F86 AromaticContact CE1-CE1 3.75Å; H59-F86 AromaticContact CE1-CE2 3.99Å; H59-F86 AromaticContact CE1-CZ 3.31Å; H59-F86 WeakPolarHBondContact CE1-CZ 3.45Å; H59-F86 AromaticContact ND1-CE1 3.75Å; H59-F86 AromaticContact ND1-CZ 3.78Å; A62-F86 HydrophobicContact CB-CE1 3.99Å; Q63-F86 HydrophobicContact CB-CZ 4.44Å; Q63-F86 VanDerWaalsContact OE1-CE2 3.25Å; Q63-F86 VanDerWaalsContact OE1-CZ 3.26Å; I66-F86 HydrophobicContact CD1-CD1 3.96Å; I66-F86 HydrophobicContact CD1-CD2 3.78Å; I66-F86 HydrophobicContact CD1-CE1 3.68Å; I66-F86 HydrophobicContact CD1-CE2 3.5Å; I66-F86 HydrophobicContact CD1-CG 4Å; I66-F86 HydrophobicContact CD1-CZ 3.44Å; I66-F86 VanDerWaalsContact CD1-CZ 3.44Å
87A89.1Confident76Confident10 Ų1078.6 Ų78.68%0.08341%0.408CS..PPolyproline II helixtrans-76.6131.4178.700000110.3K10 F12 F53 K85 T89K10-A87 HydrophobicContact CB-CB 4.32Å; K10-A87 HydrophobicContact CG-CB 4.06Å; K10-A87 WeakPolarHBondContact O-CB 3.31Å; K10-A87 PolarHBondContact O-N 2.85Å; F12-A87 HydrophobicContact CB-CB 4.23Å; F53-A87 HydrophobicContact CD1-CB 3.8Å; F53-A87 HydrophobicContact CE1-CB 3.76Å; K85-A87 PolarHBondContact O-N 3.22Å; A87-T89 PolarHBondContact O-N 2.89Å; A87-T89 VanDerWaalsContact O-N 3.17Å
88D80.7Confident76.3Confident60 Ų6082.9 Ų82.932%0.32141%0.414SS..PPolyproline II helixtrans-53.9123.4168.1-52.4-109.7000109.4R96D88-R96 IonicContact OD1-CZ 3.51Å; D88-R96 IonicContact OD1-NE 2.59Å; D88-R96 IonicContact OD1-NH1 2.66Å; D88-R96 PolarHBondContact OD1-NH1 3.17Å; D88-R96 IonicContact OD1-NH2 3.93Å; D88-R96 PolarHBondContact OD1-NH2 2.86Å
89T73.3Confident76.6Confident59 Ų5988.8 Ų88.836%0.36244%0.438SS..PPolyproline II helixtrans-61.2151.9176.467.20000110.6A87 K91 E92 R93A87-T89 PolarHBondContact O-N 2.89Å; A87-T89 VanDerWaalsContact O-N 3.17Å; T89-K91 PolarHBondContact O-N 2.94Å; T89-E92 PolarHBondContact O-N 3.03Å; T89-E92 PolarHBondContact OG1-N 3.41Å; T89-R93 PolarHBondContact O-N 2.81Å
90D64.6Low76.9Confident127 Ų12790.6 Ų90.668%0.67943%0.433SS*.Hα-helixtrans-54.3-29.3177.3-72.8-84.9000113.6T94D90-T94 VanDerWaalsContact O-CB 3.29Å; D90-T94 WeakPolarHBondContact O-CB 3.04Å; D90-T94 PolarHBondContact O-N 2.59Å; D90-T94 PolarHBondContact O-OG1 3.37Å
91K59.5Low76.1Confident177 Ų17795 Ų9577%0.7745%0.449SS*.Hα-helixtrans-63.1-49.4173-63.3179.7-179.8177.60111.1T89 T94 M95T89-K91 PolarHBondContact O-N 2.94Å; K91-T94 PolarHBondContact O-N 3.03Å; K91-M95 WeakPolarHBondContact O-CB 3.28Å; K91-M95 PolarHBondContact O-N 3.4Å
92E66.1Low74.6Confident82 Ų8296 Ų9638%0.38346%0.46SS..Hα-helixtrans-71-41.1-179.5-162.9175.315200112.3T89 T94 M95 R96T89-E92 PolarHBondContact O-N 3.03Å; T89-E92 PolarHBondContact OG1-N 3.41Å; E92-T94 VanDerWaalsContact C-N 3.29Å; E92-T94 PolarHBondContact O-N 2.7Å; E92-M95 PolarHBondContact O-N 3.4Å; E92-R96 PolarHBondContact O-N 2.8Å; E92-R96 IonicContact OE1-CZ 2.63Å; E92-R96 IonicContact OE1-NE 3.21Å; E92-R96 PolarHBondContact OE1-NE 3.08Å; E92-R96 IonicContact OE1-NH2 2.6Å; E92-R96 PolarHBondContact OE1-NH2 3.17Å
93R68.3Low72.9Confident139 Ų13998.8 Ų98.853%0.52549%0.49SS..Hα-helixtrans-56.8-42.9171.3174.8-179.8-86-155-3111.7T89 R97T89-R93 PolarHBondContact O-N 2.81Å; R93-R97 WeakPolarHBondContact O-CB 3.29Å; R93-R97 PolarHBondContact O-N 3.21Å; R93-R97 VanDerWaalsContact O-N 3.08Å
94T63.1Low70.8Confident72 Ų72105.1 Ų105.144%0.44252%0.517SS..Hα-helixtrans-65.2-42.6177-59.60000111.2D90 K91 E92 R97 M98D90-T94 VanDerWaalsContact O-CB 3.29Å; D90-T94 WeakPolarHBondContact O-CB 3.04Å; D90-T94 PolarHBondContact O-N 2.59Å; D90-T94 PolarHBondContact O-OG1 3.37Å; K91-T94 PolarHBondContact O-N 3.03Å; E92-T94 VanDerWaalsContact C-N 3.29Å; E92-T94 PolarHBondContact O-N 2.7Å; T94-R97 PolarHBondContact O-N 3.01Å; T94-M98 PolarHBondContact O-N 3.39Å
95M64.4Low68.7Low100 Ų100113.6 Ų113.649%0.49356%0.558SS.*Hα-helixtrans-64-46.7177.9-168.8169.6-72.700112.3K91 E92 R97 M98 Q99 P266K91-M95 WeakPolarHBondContact O-CB 3.28Å; K91-M95 PolarHBondContact O-N 3.4Å; E92-M95 PolarHBondContact O-N 3.4Å; M95-R97 VanDerWaalsContact C-N 3.34Å; M95-R97 PolarHBondContact O-N 2.65Å; M95-M98 PolarHBondContact O-N 3.45Å; M95-Q99 WeakPolarHBondContact O-CB 3.39Å; M95-Q99 PolarHBondContact O-N 2.89Å; M95-P266 HydrophobicContact CE-CB 4.06Å; M95-P266 HydrophobicContact CE-CG 4.03Å
96R71.9Confident66.8Low123 Ų123112.2 Ų112.246%0.46457%0.572SS.*Hα-helixtrans-61.7-38.8175.4-70.1-174.5-171.6175.41.8112.3D88 E92 Q99 Q100D88-R96 IonicContact OD1-CZ 3.51Å; D88-R96 IonicContact OD1-NE 2.59Å; D88-R96 IonicContact OD1-NH1 2.66Å; D88-R96 PolarHBondContact OD1-NH1 3.17Å; D88-R96 IonicContact OD1-NH2 3.93Å; D88-R96 PolarHBondContact OD1-NH2 2.86Å; E92-R96 PolarHBondContact O-N 2.8Å; E92-R96 IonicContact OE1-CZ 2.63Å; E92-R96 IonicContact OE1-NE 3.21Å; E92-R96 PolarHBondContact OE1-NE 3.08Å; E92-R96 IonicContact OE1-NH2 2.6Å; E92-R96 PolarHBondContact OE1-NH2 3.17Å; R96-Q99 PolarHBondContact O-N 2.9Å; R96-Q100 WeakPolarHBondContact O-CB 3.5Å; R96-Q100 WeakPolarHBondContact O-CG 3.32Å; R96-Q100 PolarHBondContact O-N 2.83Å
97R73.4Confident64.5Low200 Ų200117.7 Ų117.776%0.75560%0.6SS**Hα-helixtrans-63.8-40.7174.5-172.8177-178.8-178.20.4112.1R93 T94 M95 M101R93-R97 WeakPolarHBondContact O-CB 3.29Å; R93-R97 PolarHBondContact O-N 3.21Å; R93-R97 VanDerWaalsContact O-N 3.08Å; T94-R97 PolarHBondContact O-N 3.01Å; M95-R97 VanDerWaalsContact C-N 3.34Å; M95-R97 PolarHBondContact O-N 2.65Å; R97-M101 PolarHBondContact O-N 3.28Å
98M69.8Low61.8Low149 Ų149127.1 Ų127.173%0.73464%0.639SS**Hα-helixtrans-66-41.1175.2-172.5173-178.800111.6T94 M95 M101 A102T94-M98 PolarHBondContact O-N 3.39Å; M95-M98 PolarHBondContact O-N 3.45Å; M98-M101 PolarHBondContact O-N 2.66Å; M98-A102 PolarHBondContact O-N 3.25Å
99Q68.5Low59.9Low142 Ų142131 Ų13166%0.66466%0.66SS**Hα-helixtrans-70.2-34.9179.7-163.9160.935.200112.9M95 R96 M101 A102 G103M95-Q99 WeakPolarHBondContact O-CB 3.39Å; M95-Q99 PolarHBondContact O-N 2.89Å; R96-Q99 PolarHBondContact O-N 2.9Å; Q99-M101 VanDerWaalsContact C-N 3.34Å; Q99-A102 PolarHBondContact O-N 2.8Å; Q99-G103 PolarHBondContact O-N 2.84Å
100Q70.1Confident58.8Low154 Ų154133 Ų13372%0.7267%0.674SS**Hα-helixtrans-65.6-35.4170.8-75.8175.7-11.500112.4R96 G103R96-Q100 WeakPolarHBondContact O-CB 3.5Å; R96-Q100 WeakPolarHBondContact O-CG 3.32Å; R96-Q100 PolarHBondContact O-N 2.83Å; Q100-G103 PolarHBondContact O-N 3.49Å
101M64Low57.4Low152 Ų152135.9 Ų135.975%0.74969%0.686SS**Hα-helixtrans-70.4-37174.5-167.4170.2-177.400112.1R97 M98 Q99 G103 Q104R97-M101 PolarHBondContact O-N 3.28Å; M98-M101 PolarHBondContact O-N 2.66Å; Q99-M101 VanDerWaalsContact C-N 3.34Å; M101-G103 VanDerWaalsContact C-N 3.34Å; M101-Q104 PolarHBondContact O-N 3.04Å
102A57.4Low56.8Low71 Ų71132.1 Ų132.159%0.58769%0.688SS**Hα-helixtrans-65.5-35.317300000112.7M98 Q99 Q104 M105M98-A102 PolarHBondContact O-N 3.25Å; Q99-A102 PolarHBondContact O-N 2.8Å; A102-Q104 PolarHBondContact O-N 3.49Å; A102-M105 PolarHBondContact O-N 2.88Å
103G54.7Low55.5Low60 Ų60136.3 Ų136.362%0.61971%0.711SS**Hα-helixtrans-66.6-18.6177.300000115Q99 Q100 M101 M105Q99-G103 PolarHBondContact O-N 2.84Å; Q100-G103 PolarHBondContact O-N 3.49Å; M101-G103 VanDerWaalsContact C-N 3.34Å; G103-M105 VanDerWaalsContact C-N 3.32Å
104Q49.1Very low54.5Low176 Ų176138.7 Ų138.782%0.82273%0.728SS**THydrogen-bonded Turntrans-80.6-10.6179.8-161.8170.238.900113.5M101 A102M101-Q104 PolarHBondContact O-N 3.04Å; A102-Q104 PolarHBondContact O-N 3.49Å
105M50.3Low53.1Low178 Ų178145.4 Ų145.488%0.87775%0.752SS**THydrogen-bonded Turntrans-97.919177.9-113.1178.5-175.200113.7A102 G103 M107A102-M105 PolarHBondContact O-N 2.88Å; G103-M105 VanDerWaalsContact C-N 3.32Å; M105-M107 VanDerWaalsContact C-N 3.25Å; M105-M107 PolarHBondContact O-N 3.5Å; M105-M107 VanDerWaalsContact O-N 3.11Å
106G51.8Low52Low69 Ų69143.3 Ų143.371%0.71176%0.756SS**  trans-76.416.8-173.900000117.4
107M45Very low50.7Low171 Ų171142.5 Ų142.584%0.84278%0.776SS**  trans-138.482179-85.5169.159.200111.4M105M105-M107 VanDerWaalsContact C-N 3.25Å; M105-M107 PolarHBondContact O-N 3.5Å; M105-M107 VanDerWaalsContact O-N 3.11Å
108F32.4Very low49.3Very low208 Ų208142.8 Ų142.891%0.91278%0.778SS**  -178.6135.6126.3-113.5-90.3000109.9
109N40.8Very low48.4Very low141 Ų141138.3 Ų138.375%0.75477%0.77SS**  trans-115.4175.8177.5-157.753.2000107.8
110P50.4Low47.3Very low102 Ų102135.6 Ų135.666%0.66277%0.772SS**  -110.2149.6-56.234.3-22.4000111.7
111M34.1Very low46.4Very low188 Ų188136.5 Ų136.593%0.92677%0.77SS**  trans-153.3134.7161.5-113.5-70.7-15700110I113M111-I113 PolarHBondContact O-N 3.08Å
112A47.7Very low45.9Very low97 Ų97132.5 Ų132.580%0.80276%0.761SS**  trans-74.6121.3-173.500000111.7
113I39.5Very low45.7Very low171 Ų171136.3 Ų136.388%0.87777%0.767SS**  trans-122.9130.7157.6-78172.7000109.1M111M111-I113 PolarHBondContact O-N 3.08Å
114Q46.1Very low45.6Very low188 Ų188136.3 Ų136.388%0.87976%0.761SS**  trans-90.7116.7-161.4-173.5163.2-79.800110.6
115F33.6Very low45.8Very low213 Ų213132.8 Ų132.893%0.93475%0.747SS**  trans-123.6109.7160.6-151.4-95.9000109.3
116G42.3Very low46.2Very low56 Ų56131.7 Ų131.758%0.57774%0.742SS**  trans-81.9-175.8-170.100000114.6
117A43.4Very low46.5Very low107 Ų107135.5 Ų135.588%0.88474%0.741SS**SBendtrans77.326.9167.500000119.4
118Y45.3Very low47.1Very low206 Ų206133.9 Ų133.981%0.80873%0.731SS**SBendtrans-132.4-12159.8-139.2-96.5000116.3
119G50Low48.1Very low55 Ų55131.3 Ų131.357%0.56772%0.722SS**Hα-helixtrans-73.1-27.9-178.200000115.5Y121 A122 Q123G119-Y121 PolarHBondContact O-N 3.36Å; G119-A122 PolarHBondContact O-N 3.48Å; G119-Q123 PolarHBondContact O-N 2.83Å
120A45.5Very low48.7Very low85 Ų85127.7 Ų127.770%0.70271%0.712SS**Hα-helixtrans-67.7-35-172.300000113.7A124A120-A124 PolarHBondContact O-N 3.16Å
121Y52.2Low48.8Very low173 Ų173126.1 Ų126.168%0.67871%0.707SS**Hα-helixtrans-72.1-35.2-179.6-168.2-98.5000112.3G119 L125G119-Y121 PolarHBondContact O-N 3.36Å; Y121-L125 HydrophobicContact CE1-CD1 4.28Å; Y121-L125 PolarHBondContact O-N 2.98Å
122A52.6Low49.7Very low68 Ų68122.8 Ų122.856%0.56269%0.692SS**Hα-helixtrans-67.4-40.7177.100000112.2G119 A124G119-A122 PolarHBondContact O-N 3.48Å; A122-A124 PolarHBondContact O-N 2.93Å
123Q52.9Low49.9Very low151 Ų151125.6 Ų125.671%0.70669%0.69SS**Hα-helixtrans-62.9-41.2177.6-160.389.6-5.300111.8G119 Q127G119-Q123 PolarHBondContact O-N 2.83Å; Q123-Q127 PolarHBondContact O-N 3.02Å
124A52.8Low50.4Low60 Ų60121.1 Ų121.150%0.49668%0.679SS.*Hα-helixtrans-66.4-40.1-17700000113.1A120 A122 M126 Q128A120-A124 PolarHBondContact O-N 3.16Å; A122-A124 PolarHBondContact O-N 2.93Å; A124-M126 PolarHBondContact O-N 3.26Å; A124-Q128 PolarHBondContact O-N 2.94Å
125L54.3Low50.3Low101 Ų101116.2 Ų116.253%0.52967%0.666SS.*Hα-helixtrans-68.3-35.6-179.5-131.585.7000112.5Y121Y121-L125 HydrophobicContact CE1-CD1 4.28Å; Y121-L125 PolarHBondContact O-N 2.98Å
126M57.6Low50.7Low155 Ų155111.8 Ų111.876%0.76466%0.656SS**Hα-helixtrans-69.9-35.8-179.1-171.1172.8176.600112.4A124 Q129 A130A124-M126 PolarHBondContact O-N 3.26Å; M126-Q129 PolarHBondContact O-N 3.37Å; M126-A130 PolarHBondContact O-N 3.14Å
127Q58.6Low50.8Low149 Ų149112.9 Ų112.970%0.69666%0.659SS**Hα-helixtrans-70.5-33.2178.6-164.4169.924.500112.4Q123 Q129 A130Q123-Q127 PolarHBondContact O-N 3.02Å; Q127-Q129 VanDerWaalsContact C-N 3.3Å; Q127-Q129 PolarHBondContact O-N 2.8Å; Q127-A130 PolarHBondContact O-N 2.78Å
128Q57Low50.6Low137 Ų137115.9 Ų115.964%0.6466%0.655SS**Hα-helixtrans-65.9-32.7176.3-168170.528.300112.3A124A124-Q128 PolarHBondContact O-N 2.94Å
129Q53.7Low50.5Low154 Ų154110.6 Ų110.672%0.7266%0.663SS**Hα-helixtrans-73.6-30.3178.6-166135.854.500112.9M126 Q127M126-Q129 PolarHBondContact O-N 3.37Å; Q127-Q129 VanDerWaalsContact C-N 3.3Å; Q127-Q129 PolarHBondContact O-N 2.8Å
130A53.8Low50Low66 Ų66111.1 Ų111.155%0.54567%0.668SS.*Hα-helixtrans-67.6-35.1176.800000113.3M126 Q127 I132 M133M126-A130 PolarHBondContact O-N 3.14Å; Q127-A130 PolarHBondContact O-N 2.78Å; A130-I132 PolarHBondContact O-N 2.82Å; A130-M133 PolarHBondContact O-N 2.78Å
131A52.1Low50.1Low68 Ų68118.6 Ų118.656%0.56268%0.68SS**Hα-helixtrans-65.7-35.7178.200000113.3
132I52.8Low49.5Very low118 Ų118118.6 Ų118.661%0.60569%0.691SS**Hα-helixtrans-74.7-27.8-178.7-59174.9000111.4A130 S135A130-I132 PolarHBondContact O-N 2.82Å; I132-S135 PolarHBondContact O-OG 3.5Å
133M52.8Low49.1Very low156 Ų156122 Ų12277%0.76870%0.7SS**Hα-helixtrans-78.6-18.8178.7-159169.9-170.700113.3A130 V136A130-M133 PolarHBondContact O-N 2.78Å; M133-V136 VanDerWaalsContact O-CG2 3.26Å; M133-V136 WeakPolarHBondContact O-CG2 3.45Å
134A49Very low49Very low78 Ų78120.3 Ų120.365%0.64570%0.702SS**Hα-helixtrans-78.9-23.1177.200000113.7
135S43.9Very low49.1Very low84 Ų84125.4 Ų125.459%0.58772%0.718SS**G310 helixtrans-85.9-5.5-175.959.30000115.1I132I132-S135 PolarHBondContact O-OG 3.5Å
136V41.7Very low48.9Very low121 Ų121124.1 Ų124.173%0.73372%0.721SS**G310 helixtrans-88.80.2-179.8-73.70000114.3M133M133-V136 VanDerWaalsContact O-CG2 3.26Å; M133-V136 WeakPolarHBondContact O-CG2 3.45Å
137A44Very low48.6Very low78 Ų78120.1 Ų120.165%0.64571%0.713SS**G310 helixtrans-90.5-8.3-177.900000115.1
138Q39.6Very low48.3Very low170 Ų170120.7 Ų120.779%0.79471%0.714SS**SBendtrans-138.5119178.1-69.7-66.2-71.700110G140Q138-G140 PolarHBondContact O-N 3.01Å
139G42.8Very low47.8Very low95 Ų95117.7 Ų117.798%0.97971%0.712SS**  trans-71.4116.7-178.100000112.4
140G40Very low47.5Very low66 Ų66113.7 Ų113.768%0.6871%0.705SS**  trans-17112117400000112.1Q138 L142Q138-G140 PolarHBondContact O-N 3.01Å; G140-L142 PolarHBondContact O-N 2.9Å
141Y48.3Very low47.3Very low243 Ų243113.9 Ų113.995%0.95371%0.707SS**  trans-73.4111.2177.3-85.1-98.5000111.2
142L39Very low47Very low173 Ų173118 Ų11891%0.90671%0.714SS**  trans-143.8148.5167.5-78.7178.3000112.7G140G140-L142 PolarHBondContact O-N 2.9Å
143N45Very low46.9Very low138 Ų138120.6 Ų120.674%0.73873%0.726SS**  trans-72.2150.8-170.9-103.711.2000114.2M145N143-M145 PolarHBondContact O-N 2.86Å
144P49.7Very low47Very low117 Ų117120.9 Ų120.976%0.7673%0.726SS**THydrogen-bonded Turntrans-63.1-16.7-175.3-23.834.4000116.5
145M54.8Low47.1Very low167 Ų167125 Ų12582%0.82373%0.731SS**THydrogen-bonded Turntrans-78.3-21.9-170.5-153.668.3162.100114N143N143-M145 PolarHBondContact O-N 2.86Å
146A51Low47.2Very low73 Ų73130.2 Ų130.260%0.60375%0.749SS**THydrogen-bonded Turntrans-81-30.2-177.500000113.3F148 A149A146-F148 VanDerWaalsContact C-N 3.29Å; A146-F148 PolarHBondContact O-N 3.09Å; A146-A149 PolarHBondContact O-N 2.74Å
147A50.4Low47.4Very low71 Ų71128.9 Ų128.959%0.58775%0.751SS**Hα-helixtrans-67.3-28.5-178.700000113.1A149 A150 A151A147-A149 VanDerWaalsContact C-N 3.32Å; A147-A149 PolarHBondContact O-N 3.3Å; A147-A150 PolarHBondContact O-N 2.96Å; A147-A151 PolarHBondContact O-N 2.88Å
148F52.6Low47.3Very low162 Ų162129.3 Ų129.371%0.71175%0.754SS**Hα-helixtrans-67.2-31.7179-164.5-96000112.7A146A146-F148 VanDerWaalsContact C-N 3.29Å; A146-F148 PolarHBondContact O-N 3.09Å
149A45.9Very low47.4Very low74 Ų74129.4 Ų129.461%0.61276%0.759SS**Hα-helixtrans-71.7-36.9179.300000112.7A146 A147A146-A149 PolarHBondContact O-N 2.74Å; A147-A149 VanDerWaalsContact C-N 3.32Å; A147-A149 PolarHBondContact O-N 3.3Å
150A47.2Very low47.1Very low70 Ų70131.5 Ų131.558%0.57975%0.748SS**Hα-helixtrans-71.1-37179.700000112.7A147 Q152 M153A147-A150 PolarHBondContact O-N 2.96Å; A150-Q152 VanDerWaalsContact C-N 3.3Å; A150-Q152 PolarHBondContact O-N 3.01Å; A150-M153 PolarHBondContact O-N 3.49Å
151A50.3Low46.8Very low70 Ų70137 Ų13758%0.57976%0.758SS**Hα-helixtrans-68.1-25.3-177.300000114A147 M153A147-A151 PolarHBondContact O-N 2.88Å; A151-M153 VanDerWaalsContact C-N 3.34Å
152Q46.5Very low46.1Very low153 Ų153132.6 Ų132.672%0.71575%0.751SS**Hα-helixtrans-71-29.2178.3-169.4176.894.500112.5A150 Q154A150-Q152 VanDerWaalsContact C-N 3.3Å; A150-Q152 PolarHBondContact O-N 3.01Å; Q152-Q154 VanDerWaalsContact C-N 3.29Å; Q152-Q154 PolarHBondContact O-N 3.44Å
153M51.2Low45.7Very low173 Ų173127 Ų12785%0.85274%0.735SS**THydrogen-bonded Turntrans-88.123.4-172.2-170.7152.5-86.400114.3A150 A151A150-M153 PolarHBondContact O-N 3.49Å; A151-M153 VanDerWaalsContact C-N 3.34Å
154Q54.4Low45.1Very low163 Ų163129.2 Ų129.276%0.76275%0.746SS**THydrogen-bonded Turntrans-132.9-4.7176.8-149.4151.8-31.100115.3Q152Q152-Q154 VanDerWaalsContact C-N 3.29Å; Q152-Q154 PolarHBondContact O-N 3.44Å
155Q50.7Low44.2Very low163 Ų163128.3 Ų128.376%0.76275%0.748SS**SBendtrans-84-15.3174.4-72.4-171.5-33.200113.9A157Q155-A157 VanDerWaalsContact C-N 3.29Å; Q155-A157 PolarHBondContact O-N 2.86Å
156M46.1Very low42.9Very low195 Ų195125 Ų12596%0.96175%0.748SS**THydrogen-bonded Turntrans-91.530.6-179.9-156.2166.2-175.100113.9
157A45.8Very low42Very low93 Ų93126.2 Ų126.277%0.76976%0.758SS**THydrogen-bonded Turntrans-128-0.2178.300000114.3Q155Q155-A157 VanDerWaalsContact C-N 3.29Å; Q155-A157 PolarHBondContact O-N 2.86Å
158A42.2Very low41.3Very low86 Ų86128.8 Ų128.871%0.71177%0.768SS**SBendtrans-117.418.5-171.400000114.5
159L41.6Very low40.3Very low172 Ų172130.3 Ų130.390%0.90178%0.78SS**SBendtrans-12582.9172.7-72176.9000110.6
160N36.8Very low39.7Very low140 Ų140132.8 Ų132.875%0.74979%0.788SS**  trans159.4107135.2-175.811000110.5N162N160-N162 PolarHBondContact OD1-N 3.32Å
161M33.3Very low39.3Very low181 Ų181135.6 Ų135.689%0.89280%0.8SS**  trans-147.574.5152.8-147.7-51.1-178.200110.2
162N33.7Very low38.3Very low151 Ų151139 Ų13981%0.80781%0.814SS**SBendtrans-154.7115.8138.1-151.211000108.3N160N160-N162 PolarHBondContact OD1-N 3.32Å
163G31Very low37.7Very low54 Ų54137.5 Ų137.556%0.55782%0.82SS**  trans-100.5164.2-157.800000116
164L31.6Very low36.7Very low185 Ų185133.2 Ų133.297%0.96982%0.82SS**  trans-156.5150.9130.9-132.771.4000108.9
165A30.1Very low35.5Very low99 Ų99128.8 Ų128.882%0.81882%0.819SS**  trans-99.4148.2-169.300000113.4
166A29.3Very low34.6Very low98 Ų98126.4 Ų126.481%0.8182%0.82SS**  179133.4126.300000114.2
167A31.7Very low34.2Very low98 Ų98123.7 Ų123.781%0.8181%0.814SS**  trans51.8134.5148.300000122.7
168P35.6Very low34.3Very low124 Ų124124.7 Ų124.781%0.80581%0.813SS**  trans-97.1153.917538.3-33.5000113.7
169M31Very low34.5Very low194 Ų194126.8 Ų126.896%0.95682%0.819SS**  trans-150.7164.9157.3-84.8-137-165.500112.8
170T34.5Very low34Very low127 Ų127122.1 Ų122.178%0.77981%0.813SS**  trans-86.2163.2-157.846.30000116.4
171P37.2Very low33.8Very low128 Ų128123.2 Ų123.283%0.83182%0.817SS**  trans-79.6150.8177.433.9-36000113.2
172T30.7Very low33.6Very low142 Ų142121.1 Ų121.187%0.87182%0.815SS**  trans-148.6162.3162.7-164.20000111.3
173S33.4Very low33.5Very low121 Ų121118.3 Ų118.385%0.84681%0.812SS**  trans-121.2156.7-160.6-53.90000113.6
174G30.4Very low34.5Very low83 Ų83121.9 Ų121.986%0.85683%0.826SS**  trans110.2156.6173.200000113.5
175G29.6Very low34.4Very low71 Ų71117.8 Ų117.873%0.73282%0.819SS**  cis163.4119.9-4.300000112.3
176S31.6Very low34.6Very low113 Ų113119.7 Ų119.779%0.7982%0.82SS**  trans55.2105.2149.3-50.60000123.1
177T37.1Very low35.1Very low137 Ų137120.3 Ų120.384%0.8482%0.815SS**  79.6151.6128.945.40000124
178P48.4Very low35Very low114 Ų114121.1 Ų121.174%0.7482%0.815SS**  trans-103.2-161.2-161.147-38.7000112.4
179P46.3Very low35.2Very low131 Ų131122.4 Ų122.485%0.85181%0.813SS**  cis-144-17112.645.3-24.4000118.5
180G30.6Very low35.5Very low74 Ų74119.1 Ų119.176%0.76381%0.807SS**  trans-174114.2168.300000115.7
181I32.7Very low35.7Very low163 Ų163118 Ų11884%0.83680%0.804SS**  trans-44.6151.2171.154.3177.9000115.2
182T29.8Very low36.4Very low137 Ų137117.6 Ų117.684%0.8480%0.801SS**  -157.6174.663.447.60000114.6
183A31.6Very low36.6Very low91 Ų91118.6 Ų118.675%0.75280%0.8SS**  trans-130.9-164.3-18000000110.7
184P50.6Low36.6Very low130 Ų130116.5 Ų116.584%0.84480%0.797SS**  -122174.1-69.537.3-24.4000113
185A30.4Very low36.6Very low99 Ų99118.5 Ų118.582%0.81879%0.792SS**  trans-152.1133.6163.200000115.1
186V33.5Very low36.8Very low139 Ų139122.9 Ų122.984%0.84280%0.799SS**  trans-124.3177.8156.9-650000105.8
187P40.6Very low36.7Very low111 Ų111121.4 Ų121.472%0.72180%0.802SS**  cis-143.1-164.98.433.8-8.1000115.7
188S30.4Very low36.4Very low114 Ų114124.1 Ų124.180%0.79780%0.802SS**  trans104.8144.1140.6-64.20000122.3
189I38.4Very low35.6Very low151 Ų151124.8 Ų124.877%0.77481%0.805SS**  trans-91.1166.1-179.6-25.7177.3000110
190P38.8Very low34.9Very low125 Ų125122.3 Ų122.381%0.81280%0.803SS**  -149.2174.494.138.4-20.8000115.9
191S37.9Very low35.3Very low105 Ų105126.9 Ų126.973%0.73481%0.809SS**  trans-102.4164.9165.9-47.20000110.9
192P51.3Low36Very low118 Ų118124.8 Ų124.877%0.76681%0.806SS**  -152.3150.7112.737.3-20.1000117.9
193I34.8Very low36.9Very low164 Ų164123.9 Ų123.984%0.84180%0.802SS**  trans34.1127.5134-53.5175.5000120.6
194G33.3Very low37Very low77 Ų77129.1 Ų129.179%0.79481%0.811SS**  trans-151143.7154.300000110.4
195V30.6Very low36Very low124 Ų124127.6 Ų127.675%0.75281%0.81SS**  trans-140.2148-160.9114.50000113.4
196N33.7Very low36Very low163 Ų163130.9 Ų130.987%0.87281%0.814SS**  trans66.3139.2166-67.2-2000121.6
197G29.3Very low35.8Very low82 Ų82126.8 Ų126.885%0.84580%0.799SS**  trans167.7120.416300000112.7
198F32.3Very low35.2Very low194 Ų194130.6 Ų130.685%0.85181%0.807SS**  trans-128.7156.1-168.1-166.8-106.5000112.6
199T31.1Very low36.2Very low129 Ų129130.3 Ų130.379%0.79180%0.803SS**  trans68.5140.3165.124.60000121.9
200G30.9Very low35.7Very low79 Ų79128 Ų12881%0.81481%0.806SS**  trans159.275.9159.500000118.1
201L40.3Very low35.3Very low170 Ų170126 Ų12689%0.8980%0.8SS**  trans-98163.2151.6-77.5175.4000107.3
202P47.6Very low34.8Very low119 Ų119130.1 Ų130.177%0.77381%0.808SS**  cis-149.6-133.643.641.5-14.2000114.7
203P48.7Very low33.8Very low118 Ų118129.2 Ų129.277%0.76681%0.81SS**  -125.9-178.3-128.138.7-16.5000116
204Q32.1Very low33.5Very low200 Ų200127.7 Ų127.794%0.93581%0.808SS**  trans-144.9145.3157.7-104-165.4-76.200113.6
205A31Very low33.3Very low99 Ų99133.6 Ų133.682%0.81881%0.812SS**  trans-146149.4176.600000110.7
206N29.2Very low33.2Very low168 Ų168131.7 Ų131.790%0.89881%0.809SS**  trans-172.4144.5161.6-161.839000110.1
207G29.9Very low33Very low52 Ų52132 Ų13254%0.53681%0.811SS.*  cis161.195.7-18.900000115.9
208Q28.8Very low33Very low192 Ų192131.7 Ų131.790%0.89781%0.808SS**  trans65.7169.9147.3-86.9-174.2-60.500120.3
209P49.7Very low32.8Very low108 Ų108129.8 Ų129.870%0.70181%0.805SS**  cis-139.7-178.9-15.831.4-9.6000117.4
210A28.5Very low33.1Very low102 Ų102131.3 Ų131.384%0.84380%0.803SS**  trans75.6147148.600000119.8
211A30.9Very low33.3Very low82 Ų82133.5 Ų133.568%0.67880%0.803SS**  cis-152.2166.1-0.300000112.8
212E26.8Very low32.9Very low192 Ų192135.3 Ų135.390%0.89780%0.799SS**  trans20.8152.6144.7-59.1177.59200122
213A30.1Very low32.7Very low99 Ų99135.8 Ų135.882%0.81880%0.802SS**  cis-152-168.314.100000112.7
214V29.8Very low31.7Very low132 Ų132134.1 Ų134.180%0.880%0.799SS**  trans-118.6169.7-171.2145.90000112.7
215F28.6Very low31.6Very low202 Ų202134 Ų13489%0.88680%0.798SS**  trans83.8147.6174.8-107.4-129.2000115.8
216A28.4Very low31.6Very low83 Ų83134.6 Ų134.669%0.68680%0.796SS**  cis-158.1-178.62.500000114.1
217N29.2Very low32.2Very low170 Ų170132.1 Ų132.191%0.90979%0.789SS**  trans-49.4155.4174.1-93.1-85000117.4
218G29.5Very low32.3Very low76 Ų76136.1 Ų136.178%0.78480%0.804SS**  trans-169.2140.816400000113.7
219I28.6Very low32.2Very low154 Ų154131.4 Ų131.479%0.7980%0.798SS**  trans-112.8154-170-89.1176000112.5
220H36.3Very low31.3Very low160 Ų160131.1 Ų131.174%0.74180%0.804SS**  trans-6147161-63.3-73.3000119.2
221P35.6Very low31.5Very low126 Ų126132.5 Ų132.582%0.81880%0.797SS**  -154.7179.160.341.3-19.2000120.1
222Y31.4Very low32Very low207 Ų207134 Ų13481%0.81280%0.8SS**  trans-61161.2164.8-84.1-80.1000113.1
223P43.4Very low32.3Very low129 Ų129132.2 Ų132.284%0.83880%0.796SS**  -148.2-1726440.4-18000117.8
224A28.8Very low32.8Very low84 Ų84134.8 Ų134.869%0.69479%0.791SS**  trans-90.1161.5-169.200000115
225Q28.3Very low33.3Very low197 Ų197136.9 Ų136.992%0.92179%0.792SS**  175.6143.1121.6-95.2168.67.400111.6
226S31.7Very low33.4Very low111 Ų111132.1 Ų132.178%0.77679%0.79SS**  trans-91.8154.316546.70000109.7
227P42.6Very low33.6Very low116 Ų116137.7 Ų137.775%0.75380%0.795SS**  -151.7158.392.637-17.8000117.6
228T30.5Very low33.8Very low137 Ų137134.5 Ų134.584%0.8479%0.792SS**  trans31.2117.8139.4-41.90000121.6
229A28.4Very low33.9Very low93 Ų93134.4 Ų134.477%0.76979%0.791SS**  168.4145110.800000115.6
230A30.2Very low34.2Very low101 Ų101132.9 Ų132.984%0.83579%0.789SS**  trans68.7116.9150.800000122.6
231D32.7Very low34.1Very low131 Ų131134.6 Ų134.670%0.70180%0.797SS**  trans-58.6153.8154.8-149-123.1000110.8L233D231-L233 PolarHBondContact OD1-N 2.95Å
232P40.5Very low34.1Very low114 Ų114137.2 Ų137.274%0.7480%0.798SS**  -147.6134.177.435.9-16.6000117
233L33.4Very low34Very low154 Ų154138.1 Ų138.181%0.80680%0.802SS**  -176.179.1129.6-104.3163.9000113.3D231D231-L233 PolarHBondContact OD1-N 2.95Å
234Q40.8Very low33.4Very low154 Ų154135.8 Ų135.872%0.7279%0.794SS**  trans-71.2117.8165178.475.71.700111.4
235Q39.8Very low33.6Very low175 Ų175136.2 Ų136.282%0.81880%0.797SS**  trans-160.8140.2150.8-114.3159.9-9.100112.8
236A30.4Very low33.6Very low102 Ų102131.6 Ų131.684%0.84379%0.792SS**SBendtrans74.359.1174.500000119.2
237Y33.4Very low33.8Very low201 Ų201137.1 Ų137.179%0.78880%0.798SS**  trans-141.5112.6138-151.4-99.5000111.1
238A33.2Very low33.6Very low103 Ų103137.7 Ų137.785%0.85180%0.802SS**  trans-132.9133.8176.400000108.9
239G32.6Very low34Very low74 Ų74136.1 Ų136.176%0.76380%0.802SS**  trans125.539.9167.900000118.1
240V34.4Very low34.2Very low121 Ų121136 Ų13673%0.73380%0.802SS**  trans-122110.5155.6-179.90000108.1
241Q34.5Very low34.4Very low197 Ų197143 Ų14392%0.92181%0.808SS**  trans-96.5132.1176.5-77.2177.7-24.600110.5
242Q34.8Very low34.5Very low180 Ų180140.4 Ų140.484%0.84181%0.812SS**  trans-89.9153.1172.6-59.6154.5-74.900110
243Y29.9Very low34.4Very low226 Ų226143.8 Ų143.889%0.88682%0.818SS**  -152.6154126.4-145.3-109.7000112.6
244A31.3Very low34.5Very low81 Ų81144 Ų14467%0.66982%0.819SS**  trans-83.2-172.9171.500000109.6
245A31.7Very low34.4Very low93 Ų93142.2 Ų142.277%0.76982%0.823SS**  cis-161.9-168.613.500000110.2
246A27.8Very low34.5Very low99 Ų99142.3 Ų142.382%0.81882%0.823SS**  trans82.2115.1159.300000119.3
247Y36.7Very low34.8Very low228 Ų228141.9 Ų141.989%0.89482%0.82SS**  trans-80.2152.5155.7-77.9-96.6000109.9
248P38.3Very low35.1Very low128 Ų128141.4 Ų141.483%0.83182%0.822SS**  -134.6166.2107.636.8-27.1000113.7
249A40.2Very low35.4Very low103 Ų103142.4 Ų142.485%0.85182%0.82SS**  trans-89.7140.3-173.300000113.9
250A30.9Very low35.9Very low92 Ų92147.2 Ų147.276%0.7682%0.823SS**  trans-162.6130.1152.600000111.7
251Y35.8Very low36.4Very low248 Ų248146.9 Ų146.997%0.97382%0.823SS**  trans35.4133.4150.6-84.8-96.9000122.3
252G33.3Very low36.8Very low76 Ų76143 Ų14378%0.78482%0.815SS**  trans137.8106.9140.900000117.3
253Q40.3Very low37.2Very low185 Ų185139.8 Ų139.886%0.86481%0.81SS**  trans-67.5124.4162.2-88.6-108-17.500111.9
254I35.3Very low37.8Very low159 Ų159138 Ų13882%0.81581%0.812SS**  trans-159.3117.7130.3-7.2160.7000110.6
255S38.8Very low38.4Very low116 Ų116140 Ų14081%0.81181%0.81SS**  trans-90.4103.2168.5-630000109.9A257S255-A257 PolarHBondContact O-N 3.38Å
256Q40.9Very low38.8Very low176 Ų176139.7 Ų139.782%0.82280%0.8SS**  trans-73.8113.8170.8-77.9-173.5-33.900110.3
257A35.9Very low39.5Very low93 Ų93144.1 Ų144.177%0.76980%0.804SS**  trans-70.8126.817100000110.1S255S255-A257 PolarHBondContact O-N 3.38Å
258F39.9Very low40.1Very low191 Ų191140.7 Ų140.784%0.83880%0.796SS**  trans-61.6130.6166.7-77.8-100.3000109.2Q260F258-Q260 PolarHBondContact O-N 3.01Å
259P41.3Very low41.1Very low125 Ų125137.5 Ų137.581%0.81277%0.77SS**  trans-67.3106.5173.127.1-32.3000109
260Q42.2Very low42.5Very low174 Ų174141.5 Ų141.581%0.81376%0.763SS**PPolyproline II helixtrans-65.5139.4170.8-65.6-167.2-3700109.3F258F258-Q260 PolarHBondContact O-N 3.01Å
261P45Very low44.6Very low115 Ų115142 Ų14275%0.74775%0.75SS**PPolyproline II helixtrans-58.8137.416926.5-33.4000108.7
262P43.6Very low46.5Very low114 Ų114130.7 Ų130.774%0.7471%0.708SS**PPolyproline II helixtrans-60.2135-175.723.7-33.3000110.2M264P262-M264 PolarHBondContact O-N 3.19Å
263P43.2Very low48.7Very low114 Ų114130.6 Ų130.674%0.7469%0.694SS**PPolyproline II helixtrans-61.6127.6178.425.3-33.3000109.3I265P263-I265 VanDerWaalsContact C-N 3.28Å; P263-I265 PolarHBondContact O-N 3.19Å
264M42.5Very low50.7Low188 Ų188129.4 Ų129.493%0.92669%0.688SS**  trans-67.790.3172.9-68.3-177.574.500109P262 P266P262-M264 PolarHBondContact O-N 3.19Å; M264-P266 WeakPolarHBondContact O-CD 3.41Å
265I42.4Very low53Low122 Ų122123.3 Ų123.363%0.62667%0.665SS**  trans-59121173.6-47.4175.9000106.8P263 Q267P263-I265 VanDerWaalsContact C-N 3.28Å; P263-I265 PolarHBondContact O-N 3.19Å; I265-Q267 PolarHBondContact O-N 3Å
266P40.5Very low55.5Low87 Ų87117.8 Ų117.857%0.56563%0.627SS**  trans-59.3118.617125.7-33000106.6M95 M264 Q268M95-P266 HydrophobicContact CE-CB 4.06Å; M95-P266 HydrophobicContact CE-CG 4.03Å; M264-P266 WeakPolarHBondContact O-CD 3.41Å; P266-Q268 VanDerWaalsContact C-N 3.34Å; P266-Q268 PolarHBondContact O-N 2.91Å
267Q42.5Very low57.9Low193 Ų193110.5 Ų110.590%0.90259%0.593SS**  trans-45.497-167.6-77.4177.8-20.200111.1I265 Q269I265-Q267 PolarHBondContact O-N 3Å; Q267-Q269 VanDerWaalsContact C-N 3.31Å; Q267-Q269 PolarHBondContact O-N 3.42Å
268Q49.4Very low60.7Low155 Ų155106 Ų10672%0.72456%0.556SS**  trans-74.197.3-176.1-173.4174.183.100104.6P266 R270P266-Q268 VanDerWaalsContact C-N 3.34Å; P266-Q268 PolarHBondContact O-N 2.91Å; Q268-R270 WeakPolarHBondContact O-CA 3.38Å; Q268-R270 WeakPolarHBondContact O-CG 3.47Å; Q268-R270 PolarHBondContact O-N 3.34Å
269Q59.8Low63.3Low62 Ų6298.9 Ų98.929%0.2953%0.525SS..  trans-33.797.1-168.1-170.4-179.9-1600110.2Q267 E271 S304 K306Q267-Q269 VanDerWaalsContact C-N 3.31Å; Q267-Q269 PolarHBondContact O-N 3.42Å; Q269-E271 WeakPolarHBondContact O-CG 3.25Å; Q269-E271 PolarHBondContact O-N 2.88Å; Q269-S304 WeakPolarHBondContact CG-OG 3.36Å; Q269-K306 VanDerWaalsContact CD-CD 3.46Å
270R68.2Low65.8Low187 Ų18792.9 Ų92.971%0.70649%0.486SS*.  trans-75.799.6-165-79.9-175.2175.7169.3-2.1107.2Q268 I303 S304Q268-R270 WeakPolarHBondContact O-CA 3.38Å; Q268-R270 WeakPolarHBondContact O-CG 3.47Å; Q268-R270 PolarHBondContact O-N 3.34Å; R270-I303 HydrophobicContact CB-CG2 3.36Å; R270-I303 WeakPolarHBondContact O-CG2 3.47Å; R270-S304 WeakPolarHBondContact O-CB 3.49Å
271E75.6Confident68.2Low102 Ų10288.8 Ų88.848%0.47746%0.464SS..  trans-73.6134.7173-49-150.68000107.6Q269 K352Q269-E271 WeakPolarHBondContact O-CG 3.25Å; Q269-E271 PolarHBondContact O-N 2.88Å; E271-K352 VanDerWaalsContact CD-NZ 3.28Å; E271-K352 IonicContact OE1-NZ 3.54Å; E271-K352 PolarHBondContact OE1-NZ 3.35Å; E271-K352 IonicContact OE2-NZ 2.78Å; E271-K352 PolarHBondContact OE2-NZ 3.35Å
272G75.2Confident70.4Confident10 Ų1087.5 Ų87.510%0.10345%0.448CS..  trans-71.1174.2177.900000111.1N277G272-N277 PolarHBondContact N-OD1 2.83Å; G272-N277 PolarHBondContact O-ND2 3.17Å
273P81.3Confident72.7Confident75 Ų7582.1 Ų82.149%0.48741%0.413SS..SBendtrans-57.3163.9173.711.8-13.5000112G275 C276 N277P273-G275 PolarHBondContact O-N 3.33Å; P273-C276 HydrophobicContact CG-CB 4.45Å; P273-C276 VanDerWaalsContact CG-SG 3.59Å; P273-C276 WeakPolarHBondContact O-CB 3.39Å; P273-C276 PolarHBondContact O-N 2.85Å; P273-C276 PolarHBondContact O-SG 3.25Å; P273-N277 PolarHBondContact O-ND2 3.3Å
274E81.3Confident74.8Confident159 Ų15977.8 Ų77.874%0.74338%0.384SS*.THydrogen-bonded Turntrans-56143.4179.6-60.9-160.998.600111.5C276E274-C276 PolarHBondContact O-N 3.06Å
275G83.1Confident76.9Confident32 Ų3274 Ų7433%0.3337%0.365SS..THydrogen-bonded Turntrans75.7-5.1-170.900000115.9P273 A330 L351P273-G275 PolarHBondContact O-N 3.33Å; G275-A330 WeakPolarHBondContact O-CB 3.46Å; G275-L351 WeakPolarHBondContact O-CD2 3.48Å
276C90.9Very high79Confident0 Ų076.5 Ų76.50%037%0.374CS..  trans-100.3-9.3179.3-47.70000113.7P273 E274 F324 P327P273-C276 HydrophobicContact CG-CB 4.45Å; P273-C276 VanDerWaalsContact CG-SG 3.59Å; P273-C276 WeakPolarHBondContact O-CB 3.39Å; P273-C276 PolarHBondContact O-N 2.85Å; P273-C276 PolarHBondContact O-SG 3.25Å; E274-C276 PolarHBondContact O-N 3.06Å; C276-F324 HydrophobicContact CB-CB 4.42Å; C276-F324 VanDerWaalsContact CB-O 3.27Å; C276-F324 WeakPolarHBondContact CB-O 3Å; C276-F324 PolarHBondContact O-N 3.09Å; C276-P327 VanDerWaalsContact SG-CD 3.55Å
277N92.5Very high81.2Confident22 Ų2274.3 Ų74.312%0.11836%0.355CS..EExtended strand (participates in β ladder)trans-95119.4-176.8-59.3-60.5000110.3G272 P273 S323 K352G272-N277 PolarHBondContact N-OD1 2.83Å; G272-N277 PolarHBondContact O-ND2 3.17Å; P273-N277 PolarHBondContact O-ND2 3.3Å; N277-S323 VanDerWaalsContact OD1-CB 3.27Å; N277-S323 WeakPolarHBondContact OD1-CB 3.38Å; N277-S323 PolarHBondContact OD1-OG 3.02Å; N277-K352 HydrophobicContact CB-CB 3.95Å; N277-K352 HydrophobicContact CB-CD 4.07Å; N277-K352 VanDerWaalsContact O-CB 3.32Å; N277-K352 WeakPolarHBondContact O-CB 3.41Å; N277-K352 PolarHBondContact O-N 3.45Å
278L93.9Very high83.4Confident0 Ų066.2 Ų66.20%032%0.324CS..EExtended strand (participates in β ladder)trans-101.6147.9178.3-57-168.3000111.9I280 F296 F321 V322 F324 A330 A333 I334 V349 Q350 L351L278-I280 HydrophobicContact CB-CD1 4Å; L278-F296 HydrophobicContact CD1-CD1 4.23Å; L278-F296 HydrophobicContact CD1-CE1 3.92Å; L278-F321 VanDerWaalsContact O-CA 3.23Å; L278-F321 WeakPolarHBondContact O-CA 3.33Å; L278-F321 WeakPolarHBondContact O-CB 3.18Å; L278-F321 WeakPolarHBondContact O-CD1 3.27Å; L278-V322 HydrophobicContact CB-CB 4.46Å; L278-V322 WeakPolarHBondContact CB-O 3.37Å; L278-V322 PolarHBondContact N-O 3.22Å; L278-V322 PolarHBondContact O-N 3.26Å; L278-V322 VanDerWaalsContact O-N 3.09Å; L278-F324 HydrophobicContact CD1-CD2 4.19Å; L278-F324 HydrophobicContact CD1-CE2 3.69Å; L278-F324 HydrophobicContact CG-CD2 4.32Å; L278-F324 HydrophobicContact CG-CE2 4.28Å; L278-A330 HydrophobicContact CD2-CB 3.92Å; L278-A330 HydrophobicContact CG-CB 4.34Å; L278-A333 HydrophobicContact CD1-CB 3.78Å; L278-I334 HydrophobicContact CD1-CG1 4.29Å; L278-I334 HydrophobicContact CD2-CD1 3.56Å; L278-I334 HydrophobicContact CD2-CG1 3.65Å; L278-V349 HydrophobicContact CB-CG1 4.47Å; L278-V349 HydrophobicContact CD1-CG1 3.78Å; L278-Q350 CarbonylContact C-O 3.5Å; L278-Q350 WeakPolarHBondContact CA-O 3.36Å; L278-L351 HydrophobicContact CD2-CD2 3.94Å
279F94.5Very high85.4Confident40 Ų4063.3 Ų63.318%0.17531%0.313CS..EExtended strand (participates in β ladder)trans-117.3123.2169.9-169.1-166000109.4Y281 F319 G320 F321 Q350F279-Y281 AromaticContact CD1-CE2 3.59Å; F279-Y281 HydrophobicContact CD1-CE2 3.59Å; F279-Y281 AromaticContact CD1-CZ 3.81Å; F279-Y281 HydrophobicContact CD2-CE2 4.42Å; F279-Y281 HydrophobicContact CE1-CE1 4.06Å; F279-Y281 AromaticContact CE1-CE2 3.59Å; F279-Y281 HydrophobicContact CE1-CE2 3.59Å; F279-Y281 AromaticContact CE1-CZ 3.28Å; F279-Y281 WeakPolarHBondContact CE1-OH 3.32Å; F279-Y281 HydrophobicContact CE2-CE2 4.39Å; F279-Y281 HydrophobicContact CG-CE2 4.04Å; F279-Y281 AromaticContact CZ-CE1 3.86Å; F279-Y281 HydrophobicContact CZ-CE1 3.86Å; F279-Y281 AromaticContact CZ-CE2 4Å; F279-Y281 HydrophobicContact CZ-CE2 4Å; F279-Y281 AromaticContact CZ-CZ 3.56Å; F279-F319 HydrophobicContact CE2-CB 4.16Å; F279-F319 AromaticContact CE2-CD2 3.74Å; F279-F319 HydrophobicContact CE2-CD2 3.74Å; F279-F319 HydrophobicContact CE2-CE2 4.49Å; F279-F319 HydrophobicContact CE2-CG 4.23Å; F279-F319 HydrophobicContact CZ-CD2 4.29Å; F279-G320 WeakPolarHBondContact CD2-O 3.31Å; F279-F321 HydrophobicContact CB-CD1 3.87Å; F279-F321 HydrophobicContact CB-CE1 3.77Å; F279-F321 AromaticContact CD1-CE1 3.98Å; F279-F321 HydrophobicContact CD1-CE1 3.98Å; F279-F321 AromaticContact CD2-CD1 3.65Å; F279-F321 HydrophobicContact CD2-CD1 3.65Å; F279-F321 AromaticContact CD2-CE1 3.25Å; F279-F321 HydrophobicContact CD2-CE1 3.25Å; F279-F321 HydrophobicContact CD2-CE2 4.5Å; F279-F321 HydrophobicContact CD2-CG 4.41Å; F279-F321 AromaticContact CD2-CZ 3.73Å; F279-F321 HydrophobicContact CD2-CZ 3.73Å; F279-F321 HydrophobicContact CE1-CE1 4.34Å; F279-F321 HydrophobicContact CE1-CZ 4.47Å; F279-F321 HydrophobicContact CE2-CD1 4.4Å; F279-F321 AromaticContact CE2-CE1 3.72Å; F279-F321 HydrophobicContact CE2-CE1 3.72Å; F279-F321 HydrophobicContact CE2-CE2 4.36Å; F279-F321 AromaticContact CE2-CZ 3.68Å; F279-F321 HydrophobicContact CE2-CZ 3.68Å; F279-F321 AromaticContact CG-CD1 3.92Å; F279-F321 HydrophobicContact CG-CD1 3.92Å; F279-F321 AromaticContact CG-CE1 3.41Å; F279-F321 HydrophobicContact CG-CE1 3.41Å; F279-F321 VanDerWaalsContact CG-CE1 3.41Å; F279-F321 HydrophobicContact CG-CZ 4.2Å; F279-F321 HydrophobicContact CZ-CE1 4.24Å; F279-F321 HydrophobicContact CZ-CZ 4.07Å; F279-Q350 PolarHBondContact N-O 3.32Å; F279-Q350 PolarHBondContact O-N 3.35Å
280I94.6Very high86.8Confident0 Ų062.5 Ų62.50%032%0.317CS..EExtended strand (participates in β ladder)trans-116.1126.4-174.4-52.582.8000109.1L278 L283 L292 F296 F319 G320 V322 L347 K348 V349L278-I280 HydrophobicContact CB-CD1 4Å; I280-L283 HydrophobicContact CB-CD2 4.36Å; I280-L283 HydrophobicContact CG2-CD2 3.55Å; I280-L283 HydrophobicContact CG2-CG 4.07Å; I280-L292 HydrophobicContact CG1-CD1 4.5Å; I280-F296 HydrophobicContact CD1-CZ 4.43Å; I280-F296 HydrophobicContact CG1-CE1 4.36Å; I280-F296 HydrophobicContact CG1-CE2 4.3Å; I280-F296 HydrophobicContact CG1-CZ 3.77Å; I280-F319 CarbonylContact O-C 3.51Å; I280-F319 WeakPolarHBondContact O-CA 3.43Å; I280-F319 WeakPolarHBondContact O-CB 3.15Å; I280-G320 PolarHBondContact N-O 3.35Å; I280-G320 PolarHBondContact O-N 2.94Å; I280-V322 HydrophobicContact CD1-CB 3.92Å; I280-V322 HydrophobicContact CD1-CG2 3.68Å; I280-L347 HydrophobicContact CG2-CD2 4.35Å; I280-K348 WeakPolarHBondContact CA-O 3.49Å; I280-V349 HydrophobicContact CG1-CG1 4.3Å; I280-V349 HydrophobicContact CG1-CG2 4.19Å; I280-V349 HydrophobicContact CG2-CG2 4.1Å
281Y93.2Very high87.9Confident87 Ų8757.6 Ų57.634%0.34130%0.302SS..EExtended strand (participates in β ladder)trans-113163.3171.7-61.3-101.8000111.8F279 L283 C318 F319 K348F279-Y281 AromaticContact CD1-CE2 3.59Å; F279-Y281 HydrophobicContact CD1-CE2 3.59Å; F279-Y281 AromaticContact CD1-CZ 3.81Å; F279-Y281 HydrophobicContact CD2-CE2 4.42Å; F279-Y281 HydrophobicContact CE1-CE1 4.06Å; F279-Y281 AromaticContact CE1-CE2 3.59Å; F279-Y281 HydrophobicContact CE1-CE2 3.59Å; F279-Y281 AromaticContact CE1-CZ 3.28Å; F279-Y281 WeakPolarHBondContact CE1-OH 3.32Å; F279-Y281 HydrophobicContact CE2-CE2 4.39Å; F279-Y281 HydrophobicContact CG-CE2 4.04Å; F279-Y281 AromaticContact CZ-CE1 3.86Å; F279-Y281 HydrophobicContact CZ-CE1 3.86Å; F279-Y281 AromaticContact CZ-CE2 4Å; F279-Y281 HydrophobicContact CZ-CE2 4Å; F279-Y281 AromaticContact CZ-CZ 3.56Å; Y281-L283 VanDerWaalsContact C-N 3.28Å; Y281-L283 PolarHBondContact O-N 3.28Å; Y281-C318 CarbonylContact C-O 3.53Å; Y281-F319 HydrophobicContact CD1-CB 4.25Å; Y281-K348 PolarHBondContact N-O 3.04Å; Y281-K348 PolarHBondContact O-N 3.44Å
282H91.3Very high88.7Confident89 Ų8952.7 Ų52.741%0.41228%0.279SS..SBendtrans6429.2179.7-46.4149.3000114C318 K345 R346H282-C318 WeakPolarHBondContact CA-O 3.33Å; H282-C318 PolarHBondContact N-O 2.98Å; H282-K345 HydrophobicContact CB-CB 4.17Å; H282-K345 HydrophobicContact CB-CD 4.26Å; H282-R346 WeakPolarHBondContact CB-O 3.38Å; H282-R346 PolarHBondContact ND1-O 3.37Å
283L91.3Very high89.5Confident0 Ų055.9 Ų55.90%029%0.292CS..  trans-55.3145.5166.6-62.5176000109.7I280 Y281 F287 L292 V307 C318 L347I280-L283 HydrophobicContact CB-CD2 4.36Å; I280-L283 HydrophobicContact CG2-CD2 3.55Å; I280-L283 HydrophobicContact CG2-CG 4.07Å; Y281-L283 VanDerWaalsContact C-N 3.28Å; Y281-L283 PolarHBondContact O-N 3.28Å; L283-F287 HydrophobicContact CB-CB 4.47Å; L283-L292 HydrophobicContact CD1-CD1 4.33Å; L283-L292 HydrophobicContact CD1-CD2 4.12Å; L283-L292 HydrophobicContact CD2-CD1 3.84Å; L283-V307 HydrophobicContact CD1-CG1 4.31Å; L283-V307 HydrophobicContact CD1-CG2 3.78Å; L283-C318 PolarHBondContact N-O 2.92Å; L283-C318 VanDerWaalsContact O-CB 3.25Å; L283-C318 WeakPolarHBondContact O-CB 3.41Å; L283-C318 PolarHBondContact O-SG 2.77Å; L283-L347 HydrophobicContact CD2-CD2 3.93Å
284P87.1Confident90Very high23 Ų2359.2 Ų59.215%0.14930%0.301CS..  trans-55153167.4-24.735.5000111.2E286 F287 I342P284-E286 PolarHBondContact O-N 3.4Å; P284-F287 HydrophobicContact CB-CB 4.47Å; P284-F287 HydrophobicContact CB-CD2 3.67Å; P284-F287 HydrophobicContact CB-CE2 4.28Å; P284-F287 HydrophobicContact CB-CG 4.26Å; P284-F287 HydrophobicContact CG-CD2 3.55Å; P284-F287 HydrophobicContact CG-CE2 3.78Å; P284-F287 HydrophobicContact CG-CG 4.06Å; P284-F287 HydrophobicContact CG-CZ 4.47Å; P284-F287 PolarHBondContact O-N 3Å; P284-I342 HydrophobicContact CG-CB 4.48Å; P284-I342 HydrophobicContact CG-CD1 3.51Å; P284-I342 HydrophobicContact CG-CG1 3.68Å; P284-I342 HydrophobicContact CG-CG2 4.02Å
285Q86.2Confident90.5Very high110 Ų11053.4 Ų53.451%0.51428%0.275SS..THydrogen-bonded Turntrans-65.3-25.6178.7-168.7173.6-45.400112.1S316Q285-S316 WeakPolarHBondContact O-CB 3.47Å
286E87Confident90.9Very high173 Ų17351.9 Ų51.981%0.80826%0.259SS*.THydrogen-bonded Turntrans-80.8-14.2-179.6-55.2169.4116.500113.4P284 G288P284-E286 PolarHBondContact O-N 3.4Å; E286-G288 PolarHBondContact O-N 2.89Å
287F86.8Confident91Very high42 Ų4255.9 Ų55.918%0.18428%0.28CS..  trans-80.5115.9-174.9-95.2-128.7000111.5L283 P284 E291 M295 V307 I342L283-F287 HydrophobicContact CB-CB 4.47Å; P284-F287 HydrophobicContact CB-CB 4.47Å; P284-F287 HydrophobicContact CB-CD2 3.67Å; P284-F287 HydrophobicContact CB-CE2 4.28Å; P284-F287 HydrophobicContact CB-CG 4.26Å; P284-F287 HydrophobicContact CG-CD2 3.55Å; P284-F287 HydrophobicContact CG-CE2 3.78Å; P284-F287 HydrophobicContact CG-CG 4.06Å; P284-F287 HydrophobicContact CG-CZ 4.47Å; P284-F287 PolarHBondContact O-N 3Å; F287-E291 HydrophobicContact CD1-CB 3.99Å; F287-E291 HydrophobicContact CE1-CB 4.17Å; F287-E291 HydrophobicContact CG-CB 4.21Å; F287-M295 HydrophobicContact CE1-CE 3.42Å; F287-M295 VanDerWaalsContact CE1-CE 3.42Å; F287-M295 HydrophobicContact CE1-SD 3.85Å; F287-M295 HydrophobicContact CZ-CE 3.65Å; F287-V307 WeakPolarHBondContact O-CG1 3.46Å; F287-I342 HydrophobicContact CE1-CD1 4.25Å; F287-I342 HydrophobicContact CE2-CD1 3.92Å; F287-I342 HydrophobicContact CZ-CD1 3.61Å
288G88.8Confident91.1Very high23 Ų2359.6 Ų59.624%0.23731%0.306CS..  trans-85.4-176.4166.900000113.7E286 E291 L292 V307E286-G288 PolarHBondContact O-N 2.89Å; G288-E291 WeakPolarHBondContact CA-OE1 3.48Å; G288-E291 PolarHBondContact N-OE1 3.27Å; G288-L292 WeakPolarHBondContact O-CB 2.97Å; G288-L292 PolarHBondContact O-N 2.99Å; G288-L292 VanDerWaalsContact O-N 3.09Å; G288-V307 VanDerWaalsContact C-CG2 3.49Å; G288-V307 VanDerWaalsContact O-CG2 3.31Å; G288-V307 WeakPolarHBondContact O-CG2 3.33Å
289D90Very high91Very high93 Ų9362.1 Ų62.150%0.49732%0.316SS..Hα-helixtrans-65.3-35.2175.246.6-90000113.6M293 S305D289-M293 WeakPolarHBondContact O-CB 3.23Å; D289-M293 PolarHBondContact O-N 3.46Å; D289-S305 WeakPolarHBondContact O-CB 3.45Å; D289-S305 PolarHBondContact O-OG 3.37Å
290A89.8Confident90.8Very high46 Ų4661.1 Ų61.138%0.3832%0.317SS..Hα-helixtrans-67.3-48.3176.900000112.1L292 M293 Q294A290-L292 VanDerWaalsContact C-N 3.33Å; A290-L292 PolarHBondContact O-N 3.38Å; A290-M293 WeakPolarHBondContact O-CB 3.43Å; A290-M293 PolarHBondContact O-N 3.43Å; A290-M293 VanDerWaalsContact O-N 3.15Å; A290-Q294 WeakPolarHBondContact O-CB 3.5Å; A290-Q294 PolarHBondContact O-N 2.89Å
291E91.8Very high90.7Very high83 Ų8365.6 Ų65.639%0.38834%0.341SS..Hα-helixtrans-61.5-41.3175.1-63.378.879.200111.5F287 G288 M293 Q294 M295F287-E291 HydrophobicContact CD1-CB 3.99Å; F287-E291 HydrophobicContact CE1-CB 4.17Å; F287-E291 HydrophobicContact CG-CB 4.21Å; G288-E291 WeakPolarHBondContact CA-OE1 3.48Å; G288-E291 PolarHBondContact N-OE1 3.27Å; E291-M293 VanDerWaalsContact C-N 3.33Å; E291-M293 PolarHBondContact O-N 3.44Å; E291-Q294 PolarHBondContact O-N 3.2Å; E291-M295 VanDerWaalsContact O-CB 3.25Å; E291-M295 WeakPolarHBondContact O-CB 3.27Å; E291-M295 PolarHBondContact O-N 3.03Å
292L92.1Very high90.6Very high0 Ų062 Ų620%033%0.329CS..Hα-helixtrans-63.1-38.1174.3-179.761.6000112.1I280 L283 G288 A290 F296 V307 V322I280-L292 HydrophobicContact CG1-CD1 4.5Å; L283-L292 HydrophobicContact CD1-CD1 4.33Å; L283-L292 HydrophobicContact CD1-CD2 4.12Å; L283-L292 HydrophobicContact CD2-CD1 3.84Å; G288-L292 WeakPolarHBondContact O-CB 2.97Å; G288-L292 PolarHBondContact O-N 2.99Å; G288-L292 VanDerWaalsContact O-N 3.09Å; A290-L292 VanDerWaalsContact C-N 3.33Å; A290-L292 PolarHBondContact O-N 3.38Å; L292-F296 HydrophobicContact CD1-CD2 3.88Å; L292-F296 HydrophobicContact CD1-CE2 3.7Å; L292-F296 VanDerWaalsContact O-CD2 3.28Å; L292-F296 WeakPolarHBondContact O-CD2 3.48Å; L292-V307 HydrophobicContact CB-CG2 4.01Å; L292-V307 HydrophobicContact CD2-CG2 3.69Å; L292-V307 HydrophobicContact CG-CG2 4.47Å; L292-V322 HydrophobicContact CD1-CG2 3.85Å; L292-V322 HydrophobicContact CD2-CG2 3.85Å; L292-V322 HydrophobicContact CG-CG2 3.58Å
293M91.9Very high90.6Very high76 Ų7661 Ų6137%0.37433%0.326SS..Hα-helixtrans-64.5-53.1173.5-175.2172.465.200110.7D289 A290 E291 M295 F296 L297 V302D289-M293 WeakPolarHBondContact O-CB 3.23Å; D289-M293 PolarHBondContact O-N 3.46Å; A290-M293 WeakPolarHBondContact O-CB 3.43Å; A290-M293 PolarHBondContact O-N 3.43Å; A290-M293 VanDerWaalsContact O-N 3.15Å; E291-M293 VanDerWaalsContact C-N 3.33Å; E291-M293 PolarHBondContact O-N 3.44Å; M293-M295 VanDerWaalsContact C-N 3.28Å; M293-M295 PolarHBondContact O-N 2.93Å; M293-F296 PolarHBondContact O-N 3.17Å; M293-L297 HydrophobicContact CG-CD2 4.43Å; M293-L297 HydrophobicContact CG-CG 4.41Å; M293-L297 WeakPolarHBondContact O-CG 3.19Å; M293-L297 PolarHBondContact O-N 2.76Å; M293-V302 HydrophobicContact CG-CB 4.13Å; M293-V302 HydrophobicContact CG-CG1 3.96Å
294Q91.9Very high90.5Very high145 Ų14562 Ų6268%0.67833%0.333SS*.Hα-helixtrans-61-37.4-175.1-172.5172.967.500112.3A290 E291 F296A290-Q294 WeakPolarHBondContact O-CB 3.5Å; A290-Q294 PolarHBondContact O-N 2.89Å; E291-Q294 PolarHBondContact O-N 3.2Å; Q294-F296 PolarHBondContact O-N 3.46Å
295M91.2Very high90.7Very high37 Ų3761.9 Ų61.918%0.18233%0.332CS..Hα-helixtrans-61.3-29.3173173.4174.3-85.500113.5F287 E291 M293 M337 I342 L347F287-M295 HydrophobicContact CE1-CE 3.42Å; F287-M295 VanDerWaalsContact CE1-CE 3.42Å; F287-M295 HydrophobicContact CE1-SD 3.85Å; F287-M295 HydrophobicContact CZ-CE 3.65Å; E291-M295 VanDerWaalsContact O-CB 3.25Å; E291-M295 WeakPolarHBondContact O-CB 3.27Å; E291-M295 PolarHBondContact O-N 3.03Å; M293-M295 VanDerWaalsContact C-N 3.28Å; M293-M295 PolarHBondContact O-N 2.93Å; M295-M337 HydrophobicContact CE-CE 4.28Å; M295-M337 HydrophobicContact CG-CE 3.21Å; M295-M337 HydrophobicContact SD-CE 3.68Å; M295-I342 HydrophobicContact CE-CD1 3.84Å; M295-L347 HydrophobicContact CE-CD1 4.48Å; M295-L347 HydrophobicContact SD-CD1 3.86Å
296F92.9Very high91Very high0 Ų060.6 Ų60.60%033%0.325CS..Hα-helixtrans-103-16.2-174.3-82.3-102.7000114.5L278 I280 L292 M293 Q294 F299 V302 V322 F324 A333 M337 V349L278-F296 HydrophobicContact CD1-CD1 4.23Å; L278-F296 HydrophobicContact CD1-CE1 3.92Å; I280-F296 HydrophobicContact CD1-CZ 4.43Å; I280-F296 HydrophobicContact CG1-CE1 4.36Å; I280-F296 HydrophobicContact CG1-CE2 4.3Å; I280-F296 HydrophobicContact CG1-CZ 3.77Å; L292-F296 HydrophobicContact CD1-CD2 3.88Å; L292-F296 HydrophobicContact CD1-CE2 3.7Å; L292-F296 VanDerWaalsContact O-CD2 3.28Å; L292-F296 WeakPolarHBondContact O-CD2 3.48Å; M293-F296 PolarHBondContact O-N 3.17Å; Q294-F296 PolarHBondContact O-N 3.46Å; F296-F299 PolarHBondContact O-N 3.34Å; F296-F299 VanDerWaalsContact O-N 3.15Å; F296-V302 HydrophobicContact CB-CG2 4.04Å; F296-V322 HydrophobicContact CB-CG1 3.95Å; F296-V322 HydrophobicContact CB-CG2 4.45Å; F296-V322 HydrophobicContact CD1-CB 4.48Å; F296-V322 HydrophobicContact CD1-CG1 4.19Å; F296-V322 HydrophobicContact CD1-CG2 4.44Å; F296-V322 HydrophobicContact CD2-CG2 4.21Å; F296-V322 HydrophobicContact CG-CG1 4.15Å; F296-V322 HydrophobicContact CG-CG2 4.1Å; F296-F324 HydrophobicContact CB-CZ 3.94Å; F296-F324 HydrophobicContact CD1-CE2 4.02Å; F296-F324 AromaticContact CD1-CZ 3.94Å; F296-F324 HydrophobicContact CD1-CZ 3.94Å; F296-F324 HydrophobicContact CG-CZ 4.46Å; F296-F324 WeakPolarHBondContact O-CZ 3.16Å; F296-A333 HydrophobicContact CD1-CB 3.89Å; F296-A333 HydrophobicContact CE1-CB 4.04Å; F296-M337 HydrophobicContact CE1-CB 4.34Å; F296-M337 HydrophobicContact CE1-CG 4.34Å; F296-M337 HydrophobicContact CZ-CB 4.1Å; F296-M337 HydrophobicContact CZ-CG 4.29Å; F296-V349 HydrophobicContact CE1-CG1 4.13Å; F296-V349 HydrophobicContact CZ-CG1 4.37Å; F296-V349 HydrophobicContact CZ-CG2 4.03Å
297L92.7Very high91.3Very high84 Ų8453 Ų5344%0.4429%0.29SS..G310 helixtrans-47.7-40.6170.6-73.8178.5000115.9M293 F299 G300 V302M293-L297 HydrophobicContact CG-CD2 4.43Å; M293-L297 HydrophobicContact CG-CG 4.41Å; M293-L297 WeakPolarHBondContact O-CG 3.19Å; M293-L297 PolarHBondContact O-N 2.76Å; L297-F299 PolarHBondContact O-N 2.76Å; L297-F299 VanDerWaalsContact O-N 3.12Å; L297-G300 PolarHBondContact O-N 2.8Å; L297-G300 VanDerWaalsContact O-N 3.12Å; L297-V302 HydrophobicContact CD2-CB 4.28Å; L297-V302 HydrophobicContact CD2-CG2 4.26Å
298P93.4Very high91.4Very high101 Ų10154.1 Ų54.166%0.65630%0.295SS*.G310 helixtrans-65.5-14.8-178.724.1-35000114.5
299F92.9Very high91.5Very high52 Ų5257 Ų5723%0.22831%0.308CS..G310 helixtrans-93.6-12.6177-51.2-69000113.2F296 L297 F324 S329 A333 A336 M337F296-F299 PolarHBondContact O-N 3.34Å; F296-F299 VanDerWaalsContact O-N 3.15Å; L297-F299 PolarHBondContact O-N 2.76Å; L297-F299 VanDerWaalsContact O-N 3.12Å; F299-F324 HydrophobicContact CB-CE1 4.39Å; F299-F324 HydrophobicContact CB-CZ 4.2Å; F299-S329 WeakPolarHBondContact O-CA 3.38Å; F299-S329 WeakPolarHBondContact O-CB 3.35Å; F299-S329 PolarHBondContact O-OG 3.17Å; F299-A333 HydrophobicContact CB-CB 3.72Å; F299-A333 HydrophobicContact CD2-CB 3.92Å; F299-A333 HydrophobicContact CG-CB 3.82Å; F299-A336 HydrophobicContact CD1-CB 4.11Å; F299-A336 HydrophobicContact CE1-CB 3.32Å; F299-A336 HydrophobicContact CZ-CB 3.75Å; F299-M337 HydrophobicContact CD2-CG 4.21Å; F299-M337 HydrophobicContact CE2-CE 4.01Å; F299-M337 HydrophobicContact CE2-CG 3.37Å; F299-M337 HydrophobicContact CE2-SD 3.65Å; F299-M337 HydrophobicContact CZ-CE 4.38Å; F299-M337 HydrophobicContact CZ-CG 3.58Å; F299-M337 HydrophobicContact CZ-SD 3.52Å; F299-M337 VanDerWaalsContact CZ-SD 3.52Å
300G90Very high91.3Very high19 Ų1955 Ų5520%0.19630%0.298CS..SBendtrans156.7179.5179.500000114.1L297 V302 F324 S329L297-G300 PolarHBondContact O-N 2.8Å; L297-G300 VanDerWaalsContact O-N 3.12Å; G300-V302 PolarHBondContact O-N 2.87Å; G300-F324 WeakPolarHBondContact O-CE1 3.49Å; G300-S329 WeakPolarHBondContact CA-OG 3.45Å
301N91.9Very high91Very high94 Ų9462.9 Ų62.950%0.50332%0.317SS..  trans-73.3112.9179.4174.841.5000110.9F324 D325N301-F324 WeakPolarHBondContact O-CA 3.27Å; N301-D325 WeakPolarHBondContact CB-OD2 3.34Å; N301-D325 PolarHBondContact ND2-OD2 2.66Å; N301-D325 PolarHBondContact O-N 3.45Å; N301-D325 VanDerWaalsContact O-N 3.17Å
302V92.5Very high90.7Very high12 Ų1263.3 Ų63.37%0.07334%0.335CS..EExtended strand (participates in β ladder)trans-84.6114.2179.1176.60000109.3M293 F296 L297 G300 V322 S323 F324M293-V302 HydrophobicContact CG-CB 4.13Å; M293-V302 HydrophobicContact CG-CG1 3.96Å; F296-V302 HydrophobicContact CB-CG2 4.04Å; L297-V302 HydrophobicContact CD2-CB 4.28Å; L297-V302 HydrophobicContact CD2-CG2 4.26Å; G300-V302 PolarHBondContact O-N 2.87Å; V302-V322 HydrophobicContact CG1-CG1 3.86Å; V302-V322 HydrophobicContact CG2-CG1 3.99Å; V302-S323 CarbonylContact C-O 3.45Å; V302-F324 HydrophobicContact CG2-CD1 4.14Å; V302-F324 HydrophobicContact CG2-CE1 3.67Å; V302-F324 HydrophobicContact CG2-CZ 4.08Å
303I90.3Very high90.5Very high68 Ų6867.3 Ų67.335%0.34936%0.36SS..EExtended strand (participates in β ladder)trans-72-38.8174.3-65.5-174.2000111.3R270 S323 D325R270-I303 HydrophobicContact CB-CG2 3.36Å; R270-I303 WeakPolarHBondContact O-CG2 3.47Å; I303-S323 PolarHBondContact N-O 3.15Å; I303-D325 VanDerWaalsContact CD1-CA 3.46Å; I303-D325 HydrophobicContact CD1-CB 3.66Å; I303-D325 HydrophobicContact CG1-CB 3.82Å
304S88.6Confident90Very high21 Ų2169.8 Ų69.815%0.14738%0.375CS..EExtended strand (participates in β ladder)trans-159.3134.2-178.9-1770000111.9Q269 R270 V322 S323Q269-S304 WeakPolarHBondContact CG-OG 3.36Å; R270-S304 WeakPolarHBondContact O-CB 3.49Å; S304-V322 CarbonylContact O-C 3.55Å; S304-V322 WeakPolarHBondContact O-CA 3.36Å; S304-S323 PolarHBondContact N-O 2.9Å; S304-S323 PolarHBondContact O-N 2.97Å
305S92.3Very high89.7Confident20 Ų2067.4 Ų67.414%0.1436%0.363CS..EExtended strand (participates in β ladder)trans-110.2157.3162.9640000110.4D289 F321D289-S305 WeakPolarHBondContact O-CB 3.45Å; D289-S305 PolarHBondContact O-OG 3.37Å; S305-F321 CarbonylContact C-O 3.52Å; S305-F321 WeakPolarHBondContact CA-O 3.42Å
306K92.3Very high89.5Confident83 Ų8366.2 Ų66.236%0.36136%0.359SS..EExtended strand (participates in β ladder)trans-160.9121167-175.2168.5-176.5164.70112.2Q269 F308 G320 F321Q269-K306 VanDerWaalsContact CD-CD 3.46Å; K306-F308 HydrophobicContact CD-CE2 4.06Å; K306-F308 HydrophobicContact CD-CZ 4.26Å; K306-F308 HydrophobicContact CG-CD2 4.4Å; K306-F308 HydrophobicContact CG-CE2 4.01Å; K306-G320 CarbonylContact O-C 3.51Å; K306-G320 WeakPolarHBondContact O-CA 3.32Å; K306-F321 PolarHBondContact N-O 3.31Å; K306-F321 PolarHBondContact O-N 2.93Å
307V92.6Very high89.3Confident13 Ų1371.4 Ų71.48%0.07938%0.381CS..EExtended strand (participates in β ladder)trans-88.6144.9166.2-179.40000109.8L283 F287 G288 L292 S316L283-V307 HydrophobicContact CD1-CG1 4.31Å; L283-V307 HydrophobicContact CD1-CG2 3.78Å; F287-V307 WeakPolarHBondContact O-CG1 3.46Å; G288-V307 VanDerWaalsContact C-CG2 3.49Å; G288-V307 VanDerWaalsContact O-CG2 3.31Å; G288-V307 WeakPolarHBondContact O-CG2 3.33Å; L292-V307 HydrophobicContact CB-CG2 4.01Å; L292-V307 HydrophobicContact CD2-CG2 3.69Å; L292-V307 HydrophobicContact CG-CG2 4.47Å; V307-S316 WeakPolarHBondContact CG1-OG 3.45Å
308F90.6Very high89.2Confident67 Ų6768.6 Ų68.629%0.29437%0.368SS..EExtended strand (participates in β ladder)trans-97.8119.8175.2-78.2-109000109.7K306 K317 F319 F321K306-F308 HydrophobicContact CD-CE2 4.06Å; K306-F308 HydrophobicContact CD-CZ 4.26Å; K306-F308 HydrophobicContact CG-CD2 4.4Å; K306-F308 HydrophobicContact CG-CE2 4.01Å; F308-K317 VanDerWaalsContact O-CB 3.27Å; F308-K317 WeakPolarHBondContact O-CB 3.22Å; F308-K317 WeakPolarHBondContact O-CG 3.49Å; F308-K317 PolarHBondContact O-N 2.93Å; F308-F319 HydrophobicContact CB-CD2 3.93Å; F308-F319 HydrophobicContact CB-CE1 4.45Å; F308-F319 HydrophobicContact CB-CE2 3.42Å; F308-F319 VanDerWaalsContact CB-CE2 3.42Å; F308-F319 HydrophobicContact CB-CZ 3.71Å; F308-F319 AromaticContact CD1-CE2 3.99Å; F308-F319 HydrophobicContact CD1-CE2 3.99Å; F308-F319 HydrophobicContact CD1-CZ 4.36Å; F308-F319 HydrophobicContact CD2-CD2 4.04Å; F308-F319 AromaticContact CD2-CE2 3.71Å; F308-F319 HydrophobicContact CD2-CE2 3.71Å; F308-F319 HydrophobicContact CG-CD2 4.09Å; F308-F319 AromaticContact CG-CE2 3.4Å; F308-F319 HydrophobicContact CG-CE2 3.4Å; F308-F319 VanDerWaalsContact CG-CE2 3.4Å; F308-F319 HydrophobicContact CG-CZ 4.02Å; F308-F319 PolarHBondContact N-O 3.15Å; F308-F321 HydrophobicContact CD2-CD2 4.46Å; F308-F321 HydrophobicContact CD2-CE2 4.43Å; F308-F321 AromaticContact CE2-CD2 3.63Å; F308-F321 HydrophobicContact CE2-CD2 3.63Å; F308-F321 AromaticContact CE2-CE2 3.66Å; F308-F321 HydrophobicContact CE2-CE2 3.66Å; F308-F321 HydrophobicContact CZ-CD2 4.28Å; F308-F321 HydrophobicContact CZ-CE2 4.01Å
309V89.4Confident89.2Confident84 Ų8466.1 Ų66.151%0.50935%0.347SS..EExtended strand (participates in β ladder)trans-102.4149.4172.4-59.40000110.5Q315V309-Q315 CarbonylContact C-O 3.58Å; V309-Q315 WeakPolarHBondContact CA-O 3.49Å
310D87.3Confident89.2Confident51 Ų5163.7 Ų63.727%0.27334%0.337SS..PPolyproline II helixtrans-77.7122.8170.3-178.8-87.4000109.7A312 T313 N314 Q315 K317D310-A312 VanDerWaalsContact C-N 3.32Å; D310-A312 PolarHBondContact O-N 3.37Å; D310-A312 WeakPolarHBondContact OD1-CB 3.48Å; D310-A312 PolarHBondContact OD1-N 2.98Å; D310-T313 WeakPolarHBondContact CB-OG1 3.27Å; D310-T313 PolarHBondContact OD1-N 3.26Å; D310-T313 PolarHBondContact OD1-OG1 2.7Å; D310-N314 WeakPolarHBondContact O-CA 3.19Å; D310-N314 PolarHBondContact O-N 3.44Å; D310-Q315 PolarHBondContact N-O 3.01Å; D310-K317 HydrophobicContact CB-CD 4.39Å; D310-K317 HydrophobicContact CB-CG 4.11Å
311R83.5Confident89.4Confident210 Ų21064.4 Ų64.479%0.79233%0.334SS*.THydrogen-bonded Turntrans-76.4-17.4-172-164177.8-177.2-179.74113.8
312A85.3Confident89.5Confident93 Ų9359.9 Ų59.977%0.76931%0.31SS*.THydrogen-bonded Turntrans-83.6-34.917800000111.4D310D310-A312 VanDerWaalsContact C-N 3.32Å; D310-A312 PolarHBondContact O-N 3.37Å; D310-A312 WeakPolarHBondContact OD1-CB 3.48Å; D310-A312 PolarHBondContact OD1-N 2.98Å
313T87.2Confident89.6Confident84 Ų8459.4 Ų59.452%0.51531%0.307SS..THydrogen-bonded Turntrans-108-10.5-175.457.70000114.3D310 Q315D310-T313 WeakPolarHBondContact CB-OG1 3.27Å; D310-T313 PolarHBondContact OD1-N 3.26Å; D310-T313 PolarHBondContact OD1-OG1 2.7Å; T313-Q315 PolarHBondContact O-N 3.39Å; T313-Q315 VanDerWaalsContact O-N 3.16Å; T313-Q315 PolarHBondContact OG1-N 3.05Å
314N82.3Confident89.7Confident128 Ų12856.1 Ų56.168%0.68429%0.291SS*.  trans55.714.7-167.7-73.1-82.2000114.9D310D310-N314 WeakPolarHBondContact O-CA 3.19Å; D310-N314 PolarHBondContact O-N 3.44Å
315Q84.5Confident89.8Confident95 Ų9558.2 Ų58.244%0.44430%0.3SS..  trans-86.4141179.3-60.9-65.17.300111.6V309 D310 T313 K317V309-Q315 CarbonylContact C-O 3.58Å; V309-Q315 WeakPolarHBondContact CA-O 3.49Å; D310-Q315 PolarHBondContact N-O 3.01Å; T313-Q315 PolarHBondContact O-N 3.39Å; T313-Q315 VanDerWaalsContact O-N 3.16Å; T313-Q315 PolarHBondContact OG1-N 3.05Å; Q315-K317 PolarHBondContact O-N 3.38Å
316S87.8Confident89.8Confident12 Ų1259.8 Ų59.88%0.08431%0.307CS..EExtended strand (participates in β ladder)trans-60.2130.5171.9176.40000111.1Q285 V307 C318Q285-S316 WeakPolarHBondContact O-CB 3.47Å; V307-S316 WeakPolarHBondContact CG1-OG 3.45Å; S316-C318 PolarHBondContact O-N 3.3Å; S316-C318 VanDerWaalsContact O-N 3.08Å; S316-C318 PolarHBondContact O-SG 3.41Å; S316-C318 PolarHBondContact OG-N 3.48Å; S316-C318 VanDerWaalsContact OG-N 3.14Å
317K88.1Confident89.7Confident108 Ų10859.2 Ų59.247%0.4731%0.312SS..EExtended strand (participates in β ladder)trans-73.37.8172.5-52-170.572.6155.60112F308 D310 Q315 F319F308-K317 VanDerWaalsContact O-CB 3.27Å; F308-K317 WeakPolarHBondContact O-CB 3.22Å; F308-K317 WeakPolarHBondContact O-CG 3.49Å; F308-K317 PolarHBondContact O-N 2.93Å; D310-K317 HydrophobicContact CB-CD 4.39Å; D310-K317 HydrophobicContact CB-CG 4.11Å; Q315-K317 PolarHBondContact O-N 3.38Å; K317-F319 HydrophobicContact CB-CD1 3.77Å; K317-F319 HydrophobicContact CB-CE1 3.5Å; K317-F319 HydrophobicContact CB-CZ 4.27Å; K317-F319 HydrophobicContact CD-CE1 4.22Å; K317-F319 HydrophobicContact CD-CZ 4.39Å; K317-F319 HydrophobicContact CG-CE1 4.45Å; K317-F319 VanDerWaalsContact O-CD1 3.28Å; K317-F319 WeakPolarHBondContact O-CD1 3.4Å; K317-F319 PolarHBondContact O-N 2.91Å
318C90Very high89.7Confident25 Ų2561.9 Ų61.917%0.16934%0.335CS..EExtended strand (participates in β ladder)trans61.126.4176.8-56.30000113.6Y281 H282 L283 S316Y281-C318 CarbonylContact C-O 3.53Å; H282-C318 WeakPolarHBondContact CA-O 3.33Å; H282-C318 PolarHBondContact N-O 2.98Å; L283-C318 PolarHBondContact N-O 2.92Å; L283-C318 VanDerWaalsContact O-CB 3.25Å; L283-C318 WeakPolarHBondContact O-CB 3.41Å; L283-C318 PolarHBondContact O-SG 2.77Å; S316-C318 PolarHBondContact O-N 3.3Å; S316-C318 VanDerWaalsContact O-N 3.08Å; S316-C318 PolarHBondContact O-SG 3.41Å; S316-C318 PolarHBondContact OG-N 3.48Å; S316-C318 VanDerWaalsContact OG-N 3.14Å
319F93.4Very high89.9Confident50 Ų5059.5 Ų59.522%0.21933%0.327CS..EExtended strand (participates in β ladder)trans-144.5155.4174.171.3-103.6000112.6F279 I280 Y281 F308 K317F279-F319 HydrophobicContact CE2-CB 4.16Å; F279-F319 AromaticContact CE2-CD2 3.74Å; F279-F319 HydrophobicContact CE2-CD2 3.74Å; F279-F319 HydrophobicContact CE2-CE2 4.49Å; F279-F319 HydrophobicContact CE2-CG 4.23Å; F279-F319 HydrophobicContact CZ-CD2 4.29Å; I280-F319 CarbonylContact O-C 3.51Å; I280-F319 WeakPolarHBondContact O-CA 3.43Å; I280-F319 WeakPolarHBondContact O-CB 3.15Å; Y281-F319 HydrophobicContact CD1-CB 4.25Å; F308-F319 HydrophobicContact CB-CD2 3.93Å; F308-F319 HydrophobicContact CB-CE1 4.45Å; F308-F319 HydrophobicContact CB-CE2 3.42Å; F308-F319 VanDerWaalsContact CB-CE2 3.42Å; F308-F319 HydrophobicContact CB-CZ 3.71Å; F308-F319 AromaticContact CD1-CE2 3.99Å; F308-F319 HydrophobicContact CD1-CE2 3.99Å; F308-F319 HydrophobicContact CD1-CZ 4.36Å; F308-F319 HydrophobicContact CD2-CD2 4.04Å; F308-F319 AromaticContact CD2-CE2 3.71Å; F308-F319 HydrophobicContact CD2-CE2 3.71Å; F308-F319 HydrophobicContact CG-CD2 4.09Å; F308-F319 AromaticContact CG-CE2 3.4Å; F308-F319 HydrophobicContact CG-CE2 3.4Å; F308-F319 VanDerWaalsContact CG-CE2 3.4Å; F308-F319 HydrophobicContact CG-CZ 4.02Å; F308-F319 PolarHBondContact N-O 3.15Å; K317-F319 HydrophobicContact CB-CD1 3.77Å; K317-F319 HydrophobicContact CB-CE1 3.5Å; K317-F319 HydrophobicContact CB-CZ 4.27Å; K317-F319 HydrophobicContact CD-CE1 4.22Å; K317-F319 HydrophobicContact CD-CZ 4.39Å; K317-F319 HydrophobicContact CG-CE1 4.45Å; K317-F319 VanDerWaalsContact O-CD1 3.28Å; K317-F319 WeakPolarHBondContact O-CD1 3.4Å; K317-F319 PolarHBondContact O-N 2.91Å
320G93.4Very high90.1Very high0 Ų055.5 Ų55.50%030%0.302CS..EExtended strand (participates in β ladder)trans-163.2170.9179.500000113.3F279 I280 K306F279-G320 WeakPolarHBondContact CD2-O 3.31Å; I280-G320 PolarHBondContact N-O 3.35Å; I280-G320 PolarHBondContact O-N 2.94Å; K306-G320 CarbonylContact O-C 3.51Å; K306-G320 WeakPolarHBondContact O-CA 3.32Å
321F94.4Very high90.4Very high34 Ų3456.9 Ų56.915%0.14931%0.307CS..EExtended strand (participates in β ladder)trans-112.8149173.1-58.4-80.3000110.8L278 F279 S305 K306 F308 K352L278-F321 VanDerWaalsContact O-CA 3.23Å; L278-F321 WeakPolarHBondContact O-CA 3.33Å; L278-F321 WeakPolarHBondContact O-CB 3.18Å; L278-F321 WeakPolarHBondContact O-CD1 3.27Å; F279-F321 HydrophobicContact CB-CD1 3.87Å; F279-F321 HydrophobicContact CB-CE1 3.77Å; F279-F321 AromaticContact CD1-CE1 3.98Å; F279-F321 HydrophobicContact CD1-CE1 3.98Å; F279-F321 AromaticContact CD2-CD1 3.65Å; F279-F321 HydrophobicContact CD2-CD1 3.65Å; F279-F321 AromaticContact CD2-CE1 3.25Å; F279-F321 HydrophobicContact CD2-CE1 3.25Å; F279-F321 HydrophobicContact CD2-CE2 4.5Å; F279-F321 HydrophobicContact CD2-CG 4.41Å; F279-F321 AromaticContact CD2-CZ 3.73Å; F279-F321 HydrophobicContact CD2-CZ 3.73Å; F279-F321 HydrophobicContact CE1-CE1 4.34Å; F279-F321 HydrophobicContact CE1-CZ 4.47Å; F279-F321 HydrophobicContact CE2-CD1 4.4Å; F279-F321 AromaticContact CE2-CE1 3.72Å; F279-F321 HydrophobicContact CE2-CE1 3.72Å; F279-F321 HydrophobicContact CE2-CE2 4.36Å; F279-F321 AromaticContact CE2-CZ 3.68Å; F279-F321 HydrophobicContact CE2-CZ 3.68Å; F279-F321 AromaticContact CG-CD1 3.92Å; F279-F321 HydrophobicContact CG-CD1 3.92Å; F279-F321 AromaticContact CG-CE1 3.41Å; F279-F321 HydrophobicContact CG-CE1 3.41Å; F279-F321 VanDerWaalsContact CG-CE1 3.41Å; F279-F321 HydrophobicContact CG-CZ 4.2Å; F279-F321 HydrophobicContact CZ-CE1 4.24Å; F279-F321 HydrophobicContact CZ-CZ 4.07Å; S305-F321 CarbonylContact C-O 3.52Å; S305-F321 WeakPolarHBondContact CA-O 3.42Å; K306-F321 PolarHBondContact N-O 3.31Å; K306-F321 PolarHBondContact O-N 2.93Å; F308-F321 HydrophobicContact CD2-CD2 4.46Å; F308-F321 HydrophobicContact CD2-CE2 4.43Å; F308-F321 AromaticContact CE2-CD2 3.63Å; F308-F321 HydrophobicContact CE2-CD2 3.63Å; F308-F321 AromaticContact CE2-CE2 3.66Å; F308-F321 HydrophobicContact CE2-CE2 3.66Å; F308-F321 HydrophobicContact CZ-CD2 4.28Å; F308-F321 HydrophobicContact CZ-CE2 4.01Å; F321-K352 HydrophobicContact CD1-CD 4.18Å; F321-K352 HydrophobicContact CD1-CG 4.21Å; F321-K352 HydrophobicContact CE1-CD 4.21Å; F321-K352 HydrophobicContact CE1-CG 3.98Å
322V94.3Very high90.9Very high0 Ų048.9 Ų48.90%029%0.286CS..EExtended strand (participates in β ladder)trans-130.5128.41701740000107.8L278 I280 L292 F296 V302 S304 F324L278-V322 HydrophobicContact CB-CB 4.46Å; L278-V322 WeakPolarHBondContact CB-O 3.37Å; L278-V322 PolarHBondContact N-O 3.22Å; L278-V322 PolarHBondContact O-N 3.26Å; L278-V322 VanDerWaalsContact O-N 3.09Å; I280-V322 HydrophobicContact CD1-CB 3.92Å; I280-V322 HydrophobicContact CD1-CG2 3.68Å; L292-V322 HydrophobicContact CD1-CG2 3.85Å; L292-V322 HydrophobicContact CD2-CG2 3.85Å; L292-V322 HydrophobicContact CG-CG2 3.58Å; F296-V322 HydrophobicContact CB-CG1 3.95Å; F296-V322 HydrophobicContact CB-CG2 4.45Å; F296-V322 HydrophobicContact CD1-CB 4.48Å; F296-V322 HydrophobicContact CD1-CG1 4.19Å; F296-V322 HydrophobicContact CD1-CG2 4.44Å; F296-V322 HydrophobicContact CD2-CG2 4.21Å; F296-V322 HydrophobicContact CG-CG1 4.15Å; F296-V322 HydrophobicContact CG-CG2 4.1Å; V302-V322 HydrophobicContact CG1-CG1 3.86Å; V302-V322 HydrophobicContact CG2-CG1 3.99Å; S304-V322 CarbonylContact O-C 3.55Å; S304-V322 WeakPolarHBondContact O-CA 3.36Å; V322-F324 HydrophobicContact CG1-CD2 4.17Å; V322-F324 HydrophobicContact CG1-CE2 3.74Å; V322-F324 HydrophobicContact CG1-CZ 4.15Å
323S93.1Very high91.3Very high1 Ų144.4 Ų44.41%0.00725%0.249CC..EExtended strand (participates in β ladder)trans-111.3119.9179.3-51.60000108.9N277 V302 I303 S304N277-S323 VanDerWaalsContact OD1-CB 3.27Å; N277-S323 WeakPolarHBondContact OD1-CB 3.38Å; N277-S323 PolarHBondContact OD1-OG 3.02Å; V302-S323 CarbonylContact C-O 3.45Å; I303-S323 PolarHBondContact N-O 3.15Å; S304-S323 PolarHBondContact N-O 2.9Å; S304-S323 PolarHBondContact O-N 2.97Å
324F93.7Very high91.7Very high0 Ų041.6 Ų41.60%023%0.231CC..EExtended strand (participates in β ladder)trans-91.1163.8172-73.6-83.9000111.5C276 L278 F296 F299 G300 N301 V302 V322 A330 A333C276-F324 HydrophobicContact CB-CB 4.42Å; C276-F324 VanDerWaalsContact CB-O 3.27Å; C276-F324 WeakPolarHBondContact CB-O 3Å; C276-F324 PolarHBondContact O-N 3.09Å; L278-F324 HydrophobicContact CD1-CD2 4.19Å; L278-F324 HydrophobicContact CD1-CE2 3.69Å; L278-F324 HydrophobicContact CG-CD2 4.32Å; L278-F324 HydrophobicContact CG-CE2 4.28Å; F296-F324 HydrophobicContact CB-CZ 3.94Å; F296-F324 HydrophobicContact CD1-CE2 4.02Å; F296-F324 AromaticContact CD1-CZ 3.94Å; F296-F324 HydrophobicContact CD1-CZ 3.94Å; F296-F324 HydrophobicContact CG-CZ 4.46Å; F296-F324 WeakPolarHBondContact O-CZ 3.16Å; F299-F324 HydrophobicContact CB-CE1 4.39Å; F299-F324 HydrophobicContact CB-CZ 4.2Å; G300-F324 WeakPolarHBondContact O-CE1 3.49Å; N301-F324 WeakPolarHBondContact O-CA 3.27Å; V302-F324 HydrophobicContact CG2-CD1 4.14Å; V302-F324 HydrophobicContact CG2-CE1 3.67Å; V302-F324 HydrophobicContact CG2-CZ 4.08Å; V322-F324 HydrophobicContact CG1-CD2 4.17Å; V322-F324 HydrophobicContact CG1-CE2 3.74Å; V322-F324 HydrophobicContact CG1-CZ 4.15Å; F324-A330 HydrophobicContact CB-CB 4.37Å; F324-A330 HydrophobicContact CD2-CB 3.94Å; F324-A330 HydrophobicContact CG-CB 4.46Å; F324-A333 HydrophobicContact CE2-CB 3.76Å; F324-A333 HydrophobicContact CZ-CB 3.83Å
325D90.9Very high92.3Very high65 Ų6543.1 Ų43.135%0.34823%0.234SC..SBendtrans-79.2-20.617266.3-9.6000114.3N301 I303N301-D325 WeakPolarHBondContact CB-OD2 3.34Å; N301-D325 PolarHBondContact ND2-OD2 2.66Å; N301-D325 PolarHBondContact O-N 3.45Å; N301-D325 VanDerWaalsContact O-N 3.17Å; I303-D325 VanDerWaalsContact CD1-CA 3.46Å; I303-D325 HydrophobicContact CD1-CB 3.66Å; I303-D325 HydrophobicContact CG1-CB 3.82Å
326N91.1Very high92.6Very high52 Ų5241 Ų4128%0.27823%0.233SC..SBendtrans-139.3149.6-178.578.787.3000112.2A328 S329 A330N326-A328 VanDerWaalsContact C-N 3.34Å; N326-A328 PolarHBondContact O-N 2.9Å; N326-A328 WeakPolarHBondContact OD1-CB 3.17Å; N326-A328 PolarHBondContact OD1-N 2.87Å; N326-S329 WeakPolarHBondContact ND2-CB 3.34Å; N326-S329 PolarHBondContact ND2-OG 3.38Å; N326-S329 PolarHBondContact OD1-N 2.81Å; N326-S329 PolarHBondContact OD1-OG 3.11Å; N326-A330 PolarHBondContact O-N 2.83Å
327P90.4Very high92.9Very high71 Ų7141.2 Ų41.246%0.46123%0.233SC..Hα-helixtrans-75.5-22.8-174.328.8-34.4000112.8C276 A330 Q331C276-P327 VanDerWaalsContact SG-CD 3.55Å; P327-A330 PolarHBondContact O-N 2.81Å; P327-Q331 WeakPolarHBondContact O-CG 3.47Å; P327-Q331 PolarHBondContact O-N 3.35Å
328A93.1Very high93.2Very high69 Ų6940 Ų4057%0.5723%0.231SC*.Hα-helixtrans-67-43.6178.100000111.2N326 Q331 A332N326-A328 VanDerWaalsContact C-N 3.34Å; N326-A328 PolarHBondContact O-N 2.9Å; N326-A328 WeakPolarHBondContact OD1-CB 3.17Å; N326-A328 PolarHBondContact OD1-N 2.87Å; A328-Q331 PolarHBondContact O-N 3.26Å; A328-A332 WeakPolarHBondContact O-CB 3.25Å; A328-A332 PolarHBondContact O-N 3.12Å
329S94.6Very high93.2Very high17 Ų1740.4 Ų40.412%0.11924%0.24CC..Hα-helixtrans-60.8-41.7172-73.10000112.8F299 G300 N326 Q331 A332 A333F299-S329 WeakPolarHBondContact O-CA 3.38Å; F299-S329 WeakPolarHBondContact O-CB 3.35Å; F299-S329 PolarHBondContact O-OG 3.17Å; G300-S329 WeakPolarHBondContact CA-OG 3.45Å; N326-S329 WeakPolarHBondContact ND2-CB 3.34Å; N326-S329 PolarHBondContact ND2-OG 3.38Å; N326-S329 PolarHBondContact OD1-N 2.81Å; N326-S329 PolarHBondContact OD1-OG 3.11Å; S329-Q331 VanDerWaalsContact C-N 3.34Å; S329-Q331 PolarHBondContact O-N 3.24Å; S329-A332 PolarHBondContact O-N 3.01Å; S329-A333 WeakPolarHBondContact O-CB 3.39Å; S329-A333 PolarHBondContact O-N 3.3Å
330A93.2Very high93.2Very high0 Ų042.6 Ų42.60%025%0.25CC..Hα-helixtrans-62-40.9175.400000112.2G275 L278 F324 N326 P327 I334G275-A330 WeakPolarHBondContact O-CB 3.46Å; L278-A330 HydrophobicContact CD2-CB 3.92Å; L278-A330 HydrophobicContact CG-CB 4.34Å; F324-A330 HydrophobicContact CB-CB 4.37Å; F324-A330 HydrophobicContact CD2-CB 3.94Å; F324-A330 HydrophobicContact CG-CB 4.46Å; N326-A330 PolarHBondContact O-N 2.83Å; P327-A330 PolarHBondContact O-N 2.81Å; A330-I334 VanDerWaalsContact O-CG1 3.32Å; A330-I334 WeakPolarHBondContact O-CG1 3.49Å; A330-I334 PolarHBondContact O-N 3.45Å
331Q93.6Very high93Very high81 Ų8147.9 Ų47.938%0.37927%0.274SS..Hα-helixtrans-68.6-42.7175.2-68.5-66-12.400112.7P327 A328 S329 A333 I334 Q335P327-Q331 WeakPolarHBondContact O-CG 3.47Å; P327-Q331 PolarHBondContact O-N 3.35Å; A328-Q331 PolarHBondContact O-N 3.26Å; S329-Q331 VanDerWaalsContact C-N 3.34Å; S329-Q331 PolarHBondContact O-N 3.24Å; Q331-A333 VanDerWaalsContact C-N 3.32Å; Q331-A333 PolarHBondContact O-N 3.12Å; Q331-I334 PolarHBondContact O-N 2.87Å; Q331-Q335 WeakPolarHBondContact O-CG 3.48Å; Q331-Q335 PolarHBondContact O-N 3.42Å
332A94.4Very high92.6Very high41 Ų4147.8 Ų47.834%0.33928%0.275SS..Hα-helixtrans-59.8-43.5175.300000111.6A328 S329 Q335 A336A328-A332 WeakPolarHBondContact O-CB 3.25Å; A328-A332 PolarHBondContact O-N 3.12Å; S329-A332 PolarHBondContact O-N 3.01Å; A332-Q335 PolarHBondContact O-N 3.42Å; A332-A336 WeakPolarHBondContact O-CB 3.34Å; A332-A336 PolarHBondContact O-N 3.34Å
333A94.6Very high92.1Very high0 Ų051 Ų510%031%0.308CS..Hα-helixtrans-62.3-40.7174.200000112.7L278 F296 F299 F324 S329 Q331 M337L278-A333 HydrophobicContact CD1-CB 3.78Å; F296-A333 HydrophobicContact CD1-CB 3.89Å; F296-A333 HydrophobicContact CE1-CB 4.04Å; F299-A333 HydrophobicContact CB-CB 3.72Å; F299-A333 HydrophobicContact CD2-CB 3.92Å; F299-A333 HydrophobicContact CG-CB 3.82Å; F324-A333 HydrophobicContact CE2-CB 3.76Å; F324-A333 HydrophobicContact CZ-CB 3.83Å; S329-A333 WeakPolarHBondContact O-CB 3.39Å; S329-A333 PolarHBondContact O-N 3.3Å; Q331-A333 VanDerWaalsContact C-N 3.32Å; Q331-A333 PolarHBondContact O-N 3.12Å; A333-M337 VanDerWaalsContact O-CB 3.22Å; A333-M337 WeakPolarHBondContact O-CB 3.49Å; A333-M337 WeakPolarHBondContact O-CG 3.28Å; A333-M337 PolarHBondContact O-N 3.43Å
334I94.8Very high91.7Very high25 Ų2560.2 Ų60.213%0.12835%0.353CS..Hα-helixtrans-60.4-49.5172.7-69.9160.1000110.3L278 A330 Q331 A336 N338 V349 L351L278-I334 HydrophobicContact CD1-CG1 4.29Å; L278-I334 HydrophobicContact CD2-CD1 3.56Å; L278-I334 HydrophobicContact CD2-CG1 3.65Å; A330-I334 VanDerWaalsContact O-CG1 3.32Å; A330-I334 WeakPolarHBondContact O-CG1 3.49Å; A330-I334 PolarHBondContact O-N 3.45Å; Q331-I334 PolarHBondContact O-N 2.87Å; I334-A336 VanDerWaalsContact C-N 3.34Å; I334-A336 PolarHBondContact O-N 3.34Å; I334-N338 HydrophobicContact CG2-CB 4.39Å; I334-N338 WeakPolarHBondContact O-CB 3.39Å; I334-N338 PolarHBondContact O-N 3.39Å; I334-V349 HydrophobicContact CG1-CG1 3.94Å; I334-L351 HydrophobicContact CD1-CD2 3.85Å; I334-L351 HydrophobicContact CD1-CG 3.81Å
335Q94.3Very high91.5Very high159 Ų15965.4 Ų65.474%0.74338%0.376SS*.Hα-helixtrans-63.6-37.5-175.9-70.6178.411.500113Q331 A332Q331-Q335 WeakPolarHBondContact O-CG 3.48Å; Q331-Q335 PolarHBondContact O-N 3.42Å; A332-Q335 PolarHBondContact O-N 3.42Å
336A92.3Very high91.5Very high52 Ų5269.2 Ų69.243%0.4339%0.386SS..Hα-helixtrans-83.6-38-179.700000114F299 A332 I334F299-A336 HydrophobicContact CD1-CB 4.11Å; F299-A336 HydrophobicContact CE1-CB 3.32Å; F299-A336 HydrophobicContact CZ-CB 3.75Å; A332-A336 WeakPolarHBondContact O-CB 3.34Å; A332-A336 PolarHBondContact O-N 3.34Å; I334-A336 VanDerWaalsContact C-N 3.34Å; I334-A336 PolarHBondContact O-N 3.34Å
337M93.4Very high91.7Very high16 Ų1666.8 Ų66.88%0.07937%0.373CS..Hα-helixtrans-102.8-16.9-169.1-56.8-60.2-97.300114.1M295 F296 F299 A333 G339 F340 V349M295-M337 HydrophobicContact CE-CE 4.28Å; M295-M337 HydrophobicContact CG-CE 3.21Å; M295-M337 HydrophobicContact SD-CE 3.68Å; F296-M337 HydrophobicContact CE1-CB 4.34Å; F296-M337 HydrophobicContact CE1-CG 4.34Å; F296-M337 HydrophobicContact CZ-CB 4.1Å; F296-M337 HydrophobicContact CZ-CG 4.29Å; F299-M337 HydrophobicContact CD2-CG 4.21Å; F299-M337 HydrophobicContact CE2-CE 4.01Å; F299-M337 HydrophobicContact CE2-CG 3.37Å; F299-M337 HydrophobicContact CE2-SD 3.65Å; F299-M337 HydrophobicContact CZ-CE 4.38Å; F299-M337 HydrophobicContact CZ-CG 3.58Å; F299-M337 HydrophobicContact CZ-SD 3.52Å; F299-M337 VanDerWaalsContact CZ-SD 3.52Å; A333-M337 VanDerWaalsContact O-CB 3.22Å; A333-M337 WeakPolarHBondContact O-CB 3.49Å; A333-M337 WeakPolarHBondContact O-CG 3.28Å; A333-M337 PolarHBondContact O-N 3.43Å; M337-G339 PolarHBondContact O-N 3.41Å; M337-F340 VanDerWaalsContact O-CB 3.27Å; M337-F340 WeakPolarHBondContact O-CB 3.44Å; M337-F340 PolarHBondContact O-N 3.46Å; M337-F340 VanDerWaalsContact O-N 3.17Å; M337-F340 HydrophobicContact SD-CG 4.46Å; M337-V349 HydrophobicContact CB-CG2 3.87Å
338N93.4Very high91.9Very high81 Ų8168 Ų6843%0.43337%0.371SS..THydrogen-bonded Turntrans-70.7119.3173.5-172.943.5000110.4I334 K348 V349I334-N338 HydrophobicContact CG2-CB 4.39Å; I334-N338 WeakPolarHBondContact O-CB 3.39Å; I334-N338 PolarHBondContact O-N 3.39Å; N338-K348 WeakPolarHBondContact OD1-CA 3.45Å; N338-V349 HydrophobicContact CB-CB 4.05Å; N338-V349 PolarHBondContact OD1-N 3.48Å; N338-V349 PolarHBondContact OD1-O 3.37Å
339G91Very high92Very high35 Ų3564.7 Ų64.736%0.36134%0.344SS..THydrogen-bonded Turntrans89.8-6-173.400000114.5M337 Q341 L347M337-G339 PolarHBondContact O-N 3.41Å; G339-Q341 PolarHBondContact O-N 3.5Å; G339-L347 WeakPolarHBondContact CA-O 3.34Å; G339-L347 PolarHBondContact N-O 3.49Å
340F92.2Very high91.9Very high95 Ų9567.2 Ų67.242%0.41735%0.353SS..  trans-57.4127.6178.5-177.1-94.3000110.9M337 I342 R346 L347M337-F340 VanDerWaalsContact O-CB 3.27Å; M337-F340 WeakPolarHBondContact O-CB 3.44Å; M337-F340 PolarHBondContact O-N 3.46Å; M337-F340 VanDerWaalsContact O-N 3.17Å; M337-F340 HydrophobicContact SD-CG 4.46Å; F340-I342 HydrophobicContact CD1-CB 4.49Å; F340-I342 HydrophobicContact CE1-CB 4.47Å; F340-R346 CarbonylContact O-C 3.41Å; F340-R346 WeakPolarHBondContact O-CA 3.07Å; F340-L347 HydrophobicContact CB-CD1 4.39Å; F340-L347 HydrophobicContact CD1-CD1 4.08Å; F340-L347 PolarHBondContact O-N 3.16Å
341Q90.8Very high91.9Very high111 Ų11170.6 Ų70.652%0.51937%0.371SS..EExtended strand (participates in β ladder)trans-85.3124.8-175.4-173.8167.5-14.600110.8G339 K345 R346G339-Q341 PolarHBondContact O-N 3.5Å; Q341-K345 WeakPolarHBondContact CA-O 3.36Å; Q341-R346 HydrophobicContact CB-CG 4.42Å
342I85.2Confident91.6Very high32 Ų3270.1 Ų70.116%0.16437%0.368CS..EExtended strand (participates in β ladder)trans-133.5116.9177.7-166.3161.3000109.8P284 F287 M295 F340 M344 K345 L347P284-I342 HydrophobicContact CG-CB 4.48Å; P284-I342 HydrophobicContact CG-CD1 3.51Å; P284-I342 HydrophobicContact CG-CG1 3.68Å; P284-I342 HydrophobicContact CG-CG2 4.02Å; F287-I342 HydrophobicContact CE1-CD1 4.25Å; F287-I342 HydrophobicContact CE2-CD1 3.92Å; F287-I342 HydrophobicContact CZ-CD1 3.61Å; M295-I342 HydrophobicContact CE-CD1 3.84Å; F340-I342 HydrophobicContact CD1-CB 4.49Å; F340-I342 HydrophobicContact CE1-CB 4.47Å; I342-M344 PolarHBondContact O-N 3.4Å; I342-K345 PolarHBondContact N-O 3.47Å; I342-K345 PolarHBondContact O-N 3.43Å; I342-K345 VanDerWaalsContact O-O 3.1Å; I342-L347 HydrophobicContact CG2-CD2 3.73Å; I342-L347 HydrophobicContact CG2-CG 3.87Å
343G83.9Confident91Very high68 Ų6877.7 Ų77.770%0.70139%0.388SS*.THydrogen-bonded Turntrans53-123.7-165.800000111.7
344M85.4Confident89.9Confident194 Ų19480.9 Ų80.996%0.95641%0.408SS*.THydrogen-bonded Turntrans-91.82.8179.1-66.2-178.1-82.400114.4I342I342-M344 PolarHBondContact O-N 3.4Å
345K88.6Confident88.3Confident109 Ų10989 Ų8947%0.47444%0.443SS..EExtended strand (participates in β ladder)trans-119.9164.3-176.3-64.9-178.5-176.6172.40111.3H282 Q341 I342H282-K345 HydrophobicContact CB-CB 4.17Å; H282-K345 HydrophobicContact CB-CD 4.26Å; Q341-K345 WeakPolarHBondContact CA-O 3.36Å; I342-K345 PolarHBondContact N-O 3.47Å; I342-K345 PolarHBondContact O-N 3.43Å; I342-K345 VanDerWaalsContact O-O 3.1Å
346R92.1Very high86.6Confident145 Ų14587.8 Ų87.855%0.54744%0.441SS..EExtended strand (participates in β ladder)trans-112.5128.9168.6-61.3-175.2-158.9-69-8.9109.2H282 F340 Q341H282-R346 WeakPolarHBondContact CB-O 3.38Å; H282-R346 PolarHBondContact ND1-O 3.37Å; F340-R346 CarbonylContact O-C 3.41Å; F340-R346 WeakPolarHBondContact O-CA 3.07Å; Q341-R346 HydrophobicContact CB-CG 4.42Å
347L94.5Very high84.7Confident2 Ų288.8 Ų88.81%0.0145%0.45CS..  trans-57.8139.7172.4-65.6-175.9000109.6I280 L283 M295 G339 F340 I342 V349I280-L347 HydrophobicContact CG2-CD2 4.35Å; L283-L347 HydrophobicContact CD2-CD2 3.93Å; M295-L347 HydrophobicContact CE-CD1 4.48Å; M295-L347 HydrophobicContact SD-CD1 3.86Å; G339-L347 WeakPolarHBondContact CA-O 3.34Å; G339-L347 PolarHBondContact N-O 3.49Å; F340-L347 HydrophobicContact CB-CD1 4.39Å; F340-L347 HydrophobicContact CD1-CD1 4.08Å; F340-L347 PolarHBondContact O-N 3.16Å; I342-L347 HydrophobicContact CG2-CD2 3.73Å; I342-L347 HydrophobicContact CG2-CG 3.87Å; L347-V349 HydrophobicContact CB-CG2 4.41Å
348K94.5Very high82.5Confident95 Ų9594.1 Ų94.141%0.41348%0.479SS..EExtended strand (participates in β ladder)trans-117.3108171-170.5-174.8-174.9-175.20108.5I280 Y281 N338 Q350I280-K348 WeakPolarHBondContact CA-O 3.49Å; Y281-K348 PolarHBondContact N-O 3.04Å; Y281-K348 PolarHBondContact O-N 3.44Å; N338-K348 WeakPolarHBondContact OD1-CA 3.45Å; K348-Q350 HydrophobicContact CG-CG 4.48Å
349V95Very high80Confident1 Ų199.6 Ų99.61%0.00649%0.493CS..EExtended strand (participates in β ladder)trans-110.2123-175.1-174.70000108.2L278 I280 F296 I334 M337 N338 L347L278-V349 HydrophobicContact CB-CG1 4.47Å; L278-V349 HydrophobicContact CD1-CG1 3.78Å; I280-V349 HydrophobicContact CG1-CG1 4.3Å; I280-V349 HydrophobicContact CG1-CG2 4.19Å; I280-V349 HydrophobicContact CG2-CG2 4.1Å; F296-V349 HydrophobicContact CE1-CG1 4.13Å; F296-V349 HydrophobicContact CZ-CG1 4.37Å; F296-V349 HydrophobicContact CZ-CG2 4.03Å; I334-V349 HydrophobicContact CG1-CG1 3.94Å; M337-V349 HydrophobicContact CB-CG2 3.87Å; N338-V349 HydrophobicContact CB-CB 4.05Å; N338-V349 PolarHBondContact OD1-N 3.48Å; N338-V349 PolarHBondContact OD1-O 3.37Å; L347-V349 HydrophobicContact CB-CG2 4.41Å
350Q93.4Very high78.2Confident69 Ų69103.7 Ų103.732%0.32251%0.514SS..EExtended strand (participates in β ladder)trans-139.2160.8-177.1-69.8162.9107.500109.7L278 F279 K348 K352L278-Q350 CarbonylContact C-O 3.5Å; L278-Q350 WeakPolarHBondContact CA-O 3.36Å; F279-Q350 PolarHBondContact N-O 3.32Å; F279-Q350 PolarHBondContact O-N 3.35Å; K348-Q350 HydrophobicContact CG-CG 4.48Å; Q350-K352 PolarHBondContact O-N 3.24Å
351L92.4Very high75.9Confident71 Ų71113.6 Ų113.637%0.37255%0.55SS.*EExtended strand (participates in β ladder)trans-61.7136.9163.5-70.5176.5000110.3G275 L278 I334 R353G275-L351 WeakPolarHBondContact O-CD2 3.48Å; L278-L351 HydrophobicContact CD2-CD2 3.94Å; I334-L351 HydrophobicContact CD1-CD2 3.85Å; I334-L351 HydrophobicContact CD1-CG 3.81Å; L351-R353 PolarHBondContact O-N 3.31Å
352K87.6Confident75.2Confident71 Ų71113.8 Ų113.831%0.30955%0.552SS.*PPolyproline II helixtrans-62.6127.4166-175.6-169.5176.8-1630107.8E271 N277 F321 Q350E271-K352 VanDerWaalsContact CD-NZ 3.28Å; E271-K352 IonicContact OE1-NZ 3.54Å; E271-K352 PolarHBondContact OE1-NZ 3.35Å; E271-K352 IonicContact OE2-NZ 2.78Å; E271-K352 PolarHBondContact OE2-NZ 3.35Å; N277-K352 HydrophobicContact CB-CB 3.95Å; N277-K352 HydrophobicContact CB-CD 4.07Å; N277-K352 VanDerWaalsContact O-CB 3.32Å; N277-K352 WeakPolarHBondContact O-CB 3.41Å; N277-K352 PolarHBondContact O-N 3.45Å; F321-K352 HydrophobicContact CD1-CD 4.18Å; F321-K352 HydrophobicContact CD1-CG 4.21Å; F321-K352 HydrophobicContact CE1-CD 4.21Å; F321-K352 HydrophobicContact CE1-CG 3.98Å; Q350-K352 PolarHBondContact O-N 3.24Å
353R81.1Confident74.6Confident201 Ų201118.1 Ų118.176%0.75857%0.572SS**PPolyproline II helixtrans-61.3135.4176.4-65.4-177.1-179.5-177.1-1.6109.7L351L351-R353 PolarHBondContact O-N 3.31Å
354P71Confident74.1Confident67 Ų67120.8 Ų120.844%0.43557%0.565SS.*PPolyproline II helixtrans-61146.9171.327.3-33.5000109.2D356 A357P354-D356 PolarHBondContact O-N 3.45Å; P354-A357 HydrophobicContact CG-CB 4.04Å; P354-A357 PolarHBondContact O-N 3.33Å
355K62.3Low73.5Confident195 Ų195116.5 Ų116.585%0.84854%0.542SS*.G310 helixtrans-66.4-26.1-168.9-162172.9178.9-176.60112.4
356D57.7Low72.5Confident133 Ų133117 Ų11771%0.71155%0.547SS*.G310 helixtrans-76.4-21.5-178.1-56.1-87.4000113.4P354 N358P354-D356 PolarHBondContact O-N 3.45Å; D356-N358 PolarHBondContact O-N 3.48Å; D356-N358 VanDerWaalsContact O-N 3.1Å
357A53.2Low71.2Confident74 Ų74115.1 Ų115.161%0.61255%0.546SS*.G310 helixtrans-76.710.2178.600000114.4P354P354-A357 HydrophobicContact CG-CB 4.04Å; P354-A357 PolarHBondContact O-N 3.33Å
358N47.1Very low69.5Low128 Ų128123.2 Ų123.268%0.68459%0.585SS**G310 helixtrans-116.817.1-178.2-157.584.1000113.6D356 P360D356-N358 PolarHBondContact O-N 3.48Å; D356-N358 VanDerWaalsContact O-N 3.1Å; N358-P360 VanDerWaalsContact O-CD 3.31Å; N358-P360 WeakPolarHBondContact O-CD 3.26Å
359R41.8Very low67.6Low195 Ų195125.4 Ų125.474%0.73660%0.598SS**  trans-97100.6162.8-74.1-178.1172.3175.7-3.4108.8Y361R359-Y361 PolarHBondContact O-N 3.39Å
360P52.8Low65.3Low122 Ų122135.8 Ų135.879%0.79265%0.647SS**  trans-58.8134152.628.4-32000107.5N358N358-P360 VanDerWaalsContact O-CD 3.31Å; N358-P360 WeakPolarHBondContact O-CD 3.26Å
361Y43.7Very low62.8Low303 Ų303141.8 Ų141.8100%1.18868%0.677SS**  trans-67.90175.7-109.7-90.7000111.3R359R359-Y361 PolarHBondContact O-N 3.39Å

Retrieved 361 of 361 residues in 131.2 ms (Link to these results)