A0A077ZB47_TRITR Loading...

tRNA (uracil(54)-C(5))-methyltransferase

AlphaFold DB , UniProt , Accession A0A077ZB47, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 494 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
1M25.2Very low60Low233 Ų23384.8 Ų84.8100%1.14847%0.471SS*.  0124.30-72.1-174165.900107.7A3M1-A3 PolarHBondContact O-N 3.25Å
2P29Very low62.1Low127 Ų12781.3 Ų81.383%0.82545%0.448SS*.  trans-65.4133.4-178.828.4-31.4000108.7E4P2-E4 PolarHBondContact O-N 2.94Å
3A35.5Very low63.9Low94 Ų9479 Ų7978%0.77743%0.434SS*.  trans-48.9113.2-176.400000110.7M1 K5M1-A3 PolarHBondContact O-N 3.25Å; A3-K5 PolarHBondContact O-N 3.1Å
4E37Very low65.5Low191 Ų19173.4 Ų73.489%0.89340%0.404SS*.  trans-54.1106.2167.4-79.9-178.2152.500107.5P2 S6P2-E4 PolarHBondContact O-N 2.94Å; E4-S6 PolarHBondContact O-N 3.09Å
5K47.1Very low66.8Low175 Ų17568.5 Ų68.576%0.76138%0.377SS*.  trans-53.8111.3177.6-74.2176.7175.9176.80107.9A3 S7 N51A3-K5 PolarHBondContact O-N 3.1Å; K5-S7 PolarHBondContact O-N 2.84Å; K5-N51 PolarHBondContact O-ND2 2.96Å
6S57.4Low67.8Low59 Ų5976.7 Ų76.741%0.41340%0.4SS..  trans-55.8127.7-168104.70000111.7E4 C8 A76E4-S6 PolarHBondContact O-N 3.09Å; S6-C8 PolarHBondContact O-N 3.21Å; S6-C8 VanDerWaalsContact O-N 3.13Å; S6-A76 PolarHBondContact OG-O 3.42Å
7S79Confident68.9Low26 Ų2680.5 Ų80.518%0.18241%0.413CS..  trans-78.823.3173.8550000112.6K5 F48K5-S7 PolarHBondContact O-N 2.84Å; S7-F48 WeakPolarHBondContact CB-O 3.08Å; S7-F48 PolarHBondContact O-N 3.07Å; S7-F48 PolarHBondContact OG-O 3.24Å
8C86Confident69.7Low22 Ų2276.8 Ų76.815%0.14940%0.395CS..EExtended strand (participates in β ladder)trans-96.5133-176.1-169.20000110.7S6 L46 A76S6-C8 PolarHBondContact O-N 3.21Å; S6-C8 VanDerWaalsContact O-N 3.13Å; C8-L46 CarbonylContact C-O 3.58Å; C8-L46 WeakPolarHBondContact CA-O 3.48Å; C8-A76 HydrophobicContact CB-CB 3.9Å; C8-A76 WeakPolarHBondContact O-CB 3.45Å; C8-A76 PolarHBondContact O-N 3.11Å
9V87.7Confident70.6Confident0 Ų074.1 Ų74.10%039%0.387CS..EExtended strand (participates in β ladder)trans-113.9132.9177.2179.90000108.7V11 L46 F48 S54 A57 I58 A73 R74V9-V11 HydrophobicContact CG1-CG2 4.23Å; V9-L46 HydrophobicContact CB-CB 4.46Å; V9-L46 PolarHBondContact N-O 3.45Å; V9-L46 PolarHBondContact O-N 3.03Å; V9-F48 HydrophobicContact CB-CE2 4.19Å; V9-F48 HydrophobicContact CG2-CD2 4.04Å; V9-F48 HydrophobicContact CG2-CE2 3.89Å; V9-S54 VanDerWaalsContact CG2-O 3.28Å; V9-S54 WeakPolarHBondContact CG2-O 3.44Å; V9-A57 HydrophobicContact CG2-CB 4.27Å; V9-I58 HydrophobicContact CG1-CD1 4.45Å; V9-I58 HydrophobicContact CG1-CG1 3.68Å; V9-I58 HydrophobicContact CG2-CD1 4.24Å; V9-I58 HydrophobicContact CG2-CG1 4.04Å; V9-A73 HydrophobicContact CG1-CB 4.2Å; V9-R74 CarbonylContact C-O 3.51Å; V9-R74 WeakPolarHBondContact CA-O 3.37Å; V9-R74 WeakPolarHBondContact CG1-O 3.44Å
10I87.9Confident71.4Confident6 Ų674.2 Ų74.23%0.03139%0.393CS..EExtended strand (participates in β ladder)trans-100.8128.7170.4-60.6177.4000108.1H12 H43 Y45 A73 R74 A76I10-H12 VanDerWaalsContact CG2-NE2 3.28Å; I10-H12 WeakPolarHBondContact CG2-NE2 3.1Å; I10-H43 HydrophobicContact CG2-CB 4.36Å; I10-Y45 HydrophobicContact CD1-CD1 4.02Å; I10-Y45 HydrophobicContact CD1-CE1 3.36Å; I10-Y45 HydrophobicContact CG1-CD1 3.57Å; I10-Y45 HydrophobicContact CG1-CE1 3.46Å; I10-Y45 VanDerWaalsContact CG1-CE1 3.46Å; I10-Y45 HydrophobicContact CG1-CG 4.49Å; I10-A73 WeakPolarHBondContact O-CA 3.38Å; I10-R74 PolarHBondContact N-O 3.3Å; I10-R74 PolarHBondContact O-N 3.08Å; I10-A76 HydrophobicContact CD1-CB 4.16Å; I10-A76 HydrophobicContact CG1-CB 4.11Å
11V88.2Confident72.2Confident0 Ų079.5 Ų79.50%041%0.413CS..EExtended strand (participates in β ladder)trans-113.7111.5175.1-170.70000108.5V9 W14 H43 I44 L46 L61 L71 R72 A73V9-V11 HydrophobicContact CG1-CG2 4.23Å; V11-W14 HydrophobicContact CB-CE3 4.49Å; V11-W14 HydrophobicContact CG1-CE3 4.07Å; V11-W14 HydrophobicContact CG1-CZ3 4.36Å; V11-H43 CarbonylContact O-C 3.44Å; V11-H43 WeakPolarHBondContact O-CA 3.25Å; V11-H43 WeakPolarHBondContact O-CB 3.38Å; V11-I44 HydrophobicContact CB-CG2 3.71Å; V11-I44 HydrophobicContact CG1-CG2 4.48Å; V11-I44 HydrophobicContact CG2-CG2 4.13Å; V11-I44 PolarHBondContact N-O 2.92Å; V11-I44 PolarHBondContact O-N 2.94Å; V11-L46 HydrophobicContact CG2-CD1 3.88Å; V11-L46 HydrophobicContact CG2-CG 4.35Å; V11-L61 HydrophobicContact CG2-CB 4.47Å; V11-L61 HydrophobicContact CG2-CD1 3.82Å; V11-L71 HydrophobicContact CG1-CB 3.89Å; V11-L71 HydrophobicContact CG1-CD1 3.97Å; V11-L71 HydrophobicContact CG1-CD2 4.35Å; V11-L71 HydrophobicContact CG1-CG 4.29Å; V11-R72 CarbonylContact C-O 3.51Å; V11-R72 WeakPolarHBondContact CA-O 3.32Å; V11-A73 HydrophobicContact CG1-CB 4.49Å; V11-A73 HydrophobicContact CG2-CB 4.16Å
12H85.7Confident75.3Confident43 Ų4372.8 Ų72.820%0.19938%0.382CS..EExtended strand (participates in β ladder)trans-86.7165.3179.9-66.8-81.5000112.1I10 W14 H43 R72I10-H12 VanDerWaalsContact CG2-NE2 3.28Å; I10-H12 WeakPolarHBondContact CG2-NE2 3.1Å; H12-W14 PolarHBondContact O-N 2.73Å; H12-H43 AromaticContact ND1-ND1 3.82Å; H12-R72 HydrophobicContact CB-CB 4.33Å; H12-R72 PolarHBondContact N-O 3.36Å; H12-R72 PolarHBondContact O-N 3.22Å
13N84.6Confident78.2Confident51 Ų5166.8 Ų66.827%0.27334%0.342SS..SBendtrans60.528.5-176.3-160.620000113.5D42 R69 T70 L71N13-D42 CarbonylContact C-O 3.59Å; N13-D42 WeakPolarHBondContact CA-O 3.47Å; N13-D42 PolarHBondContact N-O 2.65Å; N13-R69 WeakPolarHBondContact OD1-CD 3.47Å; N13-R69 PolarHBondContact OD1-NH1 3.03Å; N13-T70 PolarHBondContact ND2-O 3.43Å; N13-L71 WeakPolarHBondContact O-CD2 3Å
14W86.8Confident80.9Confident1 Ų169.3 Ų69.30%0.00433%0.332CS..  trans-68.6129.2177.2-165.8-96.6000110.3V11 H12 R16 V18 A23 L26 D42 I44 L66 L71V11-W14 HydrophobicContact CB-CE3 4.49Å; V11-W14 HydrophobicContact CG1-CE3 4.07Å; V11-W14 HydrophobicContact CG1-CZ3 4.36Å; H12-W14 PolarHBondContact O-N 2.73Å; W14-R16 PolarHBondContact O-N 3.22Å; W14-V18 HydrophobicContact CZ2-CB 4.31Å; W14-V18 HydrophobicContact CZ2-CG1 3.47Å; W14-V18 VanDerWaalsContact CZ2-CG1 3.47Å; W14-V18 PolarHBondContact NE1-O 3.46Å; W14-A23 HydrophobicContact CH2-CB 4.09Å; W14-A23 HydrophobicContact CZ2-CB 3.49Å; W14-A23 VanDerWaalsContact CZ2-CB 3.49Å; W14-L26 HydrophobicContact CH2-CD2 3.75Å; W14-L26 HydrophobicContact CZ3-CD2 4.13Å; W14-D42 PolarHBondContact N-O 3.37Å; W14-D42 CarbonylContact O-C 3.57Å; W14-D42 WeakPolarHBondContact O-CA 3.33Å; W14-I44 HydrophobicContact CB-CG2 4.48Å; W14-I44 HydrophobicContact CD2-CB 3.95Å; W14-I44 HydrophobicContact CD2-CG2 3.43Å; W14-I44 VanDerWaalsContact CD2-CG2 3.43Å; W14-I44 HydrophobicContact CE3-CB 4.33Å; W14-I44 HydrophobicContact CE3-CG2 3.32Å; W14-I44 HydrophobicContact CG-CB 4.08Å; W14-I44 HydrophobicContact CG-CG2 3.97Å; W14-I44 HydrophobicContact CH2-CD1 4.36Å; W14-I44 HydrophobicContact CH2-CG2 4.09Å; W14-I44 HydrophobicContact CZ2-CD1 3.9Å; W14-I44 HydrophobicContact CZ2-CG2 4.24Å; W14-I44 HydrophobicContact CZ3-CG2 3.66Å; W14-L66 HydrophobicContact CD2-CD2 4.49Å; W14-L66 HydrophobicContact CE3-CD2 4.21Å; W14-L66 HydrophobicContact CH2-CD2 4.1Å; W14-L66 HydrophobicContact CZ2-CD2 4.32Å; W14-L66 HydrophobicContact CZ3-CD2 4.02Å; W14-L71 HydrophobicContact CE3-CD1 4.05Å; W14-L71 HydrophobicContact CE3-CD2 4.08Å; W14-L71 HydrophobicContact CZ3-CD1 3.88Å
15P85.2Confident83.5Confident0 Ų066.3 Ų66.30%032%0.316CS..  trans-67.4125.3179.3-10.122000110.7F17 V18 L66P15-F17 HydrophobicContact CB-CD1 4.08Å; P15-F17 HydrophobicContact CB-CD2 4.37Å; P15-F17 HydrophobicContact CB-CE1 3.57Å; P15-F17 HydrophobicContact CB-CE2 3.9Å; P15-F17 HydrophobicContact CB-CG 4.45Å; P15-F17 HydrophobicContact CB-CZ 3.47Å; P15-F17 VanDerWaalsContact CB-CZ 3.47Å; P15-F17 HydrophobicContact CG-CZ 4.31Å; P15-F17 PolarHBondContact O-N 3.43Å; P15-V18 HydrophobicContact CB-CG2 3.89Å; P15-V18 HydrophobicContact CG-CG2 3.91Å; P15-V18 WeakPolarHBondContact O-CB 3.44Å; P15-V18 PolarHBondContact O-N 3.17Å; P15-L66 HydrophobicContact CG-CD2 3.97Å; P15-L66 HydrophobicContact CG-CG 4.1Å
16R83.2Confident85.6Confident199 Ų19958.9 Ų58.975%0.75128%0.284SS*.THydrogen-bonded Turntrans-54.4-27.8-177.2-72.2-178.5-179.8-179.82.3114.5W14 G41W14-R16 PolarHBondContact O-N 3.22Å; R16-G41 WeakPolarHBondContact CG-O 3.42Å
17F85.1Confident87.3Confident142 Ų14256.1 Ų56.162%0.62327%0.265SS*.THydrogen-bonded Turntrans-83.5-7179.256.7-98000113.7P15 G19 K67P15-F17 HydrophobicContact CB-CD1 4.08Å; P15-F17 HydrophobicContact CB-CD2 4.37Å; P15-F17 HydrophobicContact CB-CE1 3.57Å; P15-F17 HydrophobicContact CB-CE2 3.9Å; P15-F17 HydrophobicContact CB-CG 4.45Å; P15-F17 HydrophobicContact CB-CZ 3.47Å; P15-F17 VanDerWaalsContact CB-CZ 3.47Å; P15-F17 HydrophobicContact CG-CZ 4.31Å; P15-F17 PolarHBondContact O-N 3.43Å; F17-G19 PolarHBondContact O-N 3.01Å; F17-K67 HydrophobicContact CE2-CB 4.47Å; F17-K67 HydrophobicContact CE2-CG 4.2Å; F17-K67 HydrophobicContact CZ-CB 4.18Å; F17-K67 HydrophobicContact CZ-CG 4.4Å
18V84.9Confident87.8Confident13 Ų1357.3 Ų57.38%0.07928%0.282CS..  trans-87.996.7175.4178.30000108.7W14 P15 D22 L66W14-V18 HydrophobicContact CZ2-CB 4.31Å; W14-V18 HydrophobicContact CZ2-CG1 3.47Å; W14-V18 VanDerWaalsContact CZ2-CG1 3.47Å; W14-V18 PolarHBondContact NE1-O 3.46Å; P15-V18 HydrophobicContact CB-CG2 3.89Å; P15-V18 HydrophobicContact CG-CG2 3.91Å; P15-V18 WeakPolarHBondContact O-CB 3.44Å; P15-V18 PolarHBondContact O-N 3.17Å; V18-D22 HydrophobicContact CG1-CB 3.79Å; V18-L66 HydrophobicContact CG2-CD2 4.37Å
19G86.6Confident88Confident25 Ų2565.3 Ų65.326%0.25831%0.309SS..  trans-74.2177.1-178.800000114F17 K21 D22 A23F17-G19 PolarHBondContact O-N 3.01Å; G19-K21 VanDerWaalsContact C-N 3.27Å; G19-K21 PolarHBondContact O-N 2.61Å; G19-D22 PolarHBondContact O-N 3.37Å; G19-A23 WeakPolarHBondContact O-CB 3.33Å; G19-A23 PolarHBondContact O-N 3.28Å
20P86.3Confident88.2Confident76 Ų7666.9 Ų66.949%0.49432%0.317SS..Hα-helixtrans-57.7-33.8-177.8-23.330.7000114.7R24 P39P20-R24 WeakPolarHBondContact O-CB 3.34Å; P20-R24 PolarHBondContact O-N 3.17Å; P20-P39 HydrophobicContact CB-CG 4.4Å; P20-P39 HydrophobicContact CG-CG 3.85Å
21K87.8Confident88.4Confident187 Ų18769.1 Ų69.181%0.81334%0.341SS*.Hα-helixtrans-67.9-47.4178.6-71.5-175.5178.1-179.80111.5G19 A23 R24 K25G19-K21 VanDerWaalsContact C-N 3.27Å; G19-K21 PolarHBondContact O-N 2.61Å; K21-A23 VanDerWaalsContact C-N 3.34Å; K21-R24 PolarHBondContact O-N 3.35Å; K21-K25 PolarHBondContact O-N 2.84Å
22D90.2Very high88.6Confident92 Ų9269.3 Ų69.349%0.49234%0.342SS..Hα-helixtrans-67.1-38.5177.8-64-47.2000111.6V18 G19 R24 K25 L26V18-D22 HydrophobicContact CG1-CB 3.79Å; G19-D22 PolarHBondContact O-N 3.37Å; D22-R24 VanDerWaalsContact C-N 3.33Å; D22-R24 PolarHBondContact O-N 2.94Å; D22-K25 PolarHBondContact O-N 2.86Å; D22-L26 PolarHBondContact O-N 2.64Å
23A90.2Very high88.8Confident0 Ų073.6 Ų73.60%037%0.367CS..Hα-helixtrans-56.3-47.8172.200000111.5W14 G19 K21 K25 L26 C27 L37 I44W14-A23 HydrophobicContact CH2-CB 4.09Å; W14-A23 HydrophobicContact CZ2-CB 3.49Å; W14-A23 VanDerWaalsContact CZ2-CB 3.49Å; G19-A23 WeakPolarHBondContact O-CB 3.33Å; G19-A23 PolarHBondContact O-N 3.28Å; K21-A23 VanDerWaalsContact C-N 3.34Å; A23-K25 VanDerWaalsContact C-N 3.34Å; A23-K25 PolarHBondContact O-N 2.68Å; A23-L26 PolarHBondContact O-N 3.07Å; A23-C27 PolarHBondContact O-N 3.2Å; A23-C27 PolarHBondContact O-SG 3.39Å; A23-L37 HydrophobicContact CB-CD2 3.92Å; A23-I44 HydrophobicContact CB-CD1 3.44Å; A23-I44 VanDerWaalsContact CB-CD1 3.44Å
24R92.7Very high89Confident147 Ų14771.4 Ų71.456%0.55536%0.355SS*.Hα-helixtrans-63.6-39.1178.8-167.6174.7-66.4-141.9-2.5112P20 K21 D22 C27 G28 L37P20-R24 WeakPolarHBondContact O-CB 3.34Å; P20-R24 PolarHBondContact O-N 3.17Å; K21-R24 PolarHBondContact O-N 3.35Å; D22-R24 VanDerWaalsContact C-N 3.33Å; D22-R24 PolarHBondContact O-N 2.94Å; R24-C27 PolarHBondContact O-N 3.13Å; R24-G28 PolarHBondContact O-N 2.87Å; R24-L37 HydrophobicContact CB-CD1 4.38Å; R24-L37 HydrophobicContact CB-CD2 4.46Å; R24-L37 HydrophobicContact CG-CD1 4.41Å
25K91.1Very high89.1Confident128 Ų12878.9 Ų78.956%0.55739%0.388SS*.Hα-helixtrans-65.5-40175.4-169.3174.9-176.4175.10112.2K21 D22 A23 G28 R29K21-K25 PolarHBondContact O-N 2.84Å; D22-K25 PolarHBondContact O-N 2.86Å; A23-K25 VanDerWaalsContact C-N 3.34Å; A23-K25 PolarHBondContact O-N 2.68Å; K25-G28 PolarHBondContact O-N 2.8Å; K25-R29 WeakPolarHBondContact O-CG 3.46Å; K25-R29 PolarHBondContact O-N 2.88Å; K25-R29 VanDerWaalsContact O-N 3.08Å
26L91.9Very high89.2Confident20 Ų2085.3 Ų85.311%0.10542%0.416CS..Hα-helixtrans-62.9-49.7173.9179.165.2000111W14 D22 A23 G28 R29 L30 F64 L66W14-L26 HydrophobicContact CH2-CD2 3.75Å; W14-L26 HydrophobicContact CZ3-CD2 4.13Å; D22-L26 PolarHBondContact O-N 2.64Å; A23-L26 PolarHBondContact O-N 3.07Å; L26-G28 VanDerWaalsContact C-N 3.3Å; L26-G28 PolarHBondContact O-N 2.66Å; L26-R29 PolarHBondContact O-N 2.6Å; L26-R29 VanDerWaalsContact O-N 3.16Å; L26-L30 HydrophobicContact CD1-CD1 4.21Å; L26-L30 HydrophobicContact CD1-CG 4.46Å; L26-L30 HydrophobicContact CG-CD1 4.14Å; L26-L30 WeakPolarHBondContact O-CG 2.95Å; L26-L30 PolarHBondContact O-N 3.1Å; L26-F64 HydrophobicContact CD1-CE1 3.85Å; L26-F64 HydrophobicContact CD1-CZ 3.92Å; L26-F64 HydrophobicContact CD2-CE1 4.34Å; L26-L66 HydrophobicContact CD2-CD1 3.94Å; L26-L66 HydrophobicContact CD2-CD2 3.81Å; L26-L66 HydrophobicContact CD2-CG 4.43Å
27C91.9Very high89.6Confident0 Ų076.8 Ų76.80%039%0.385CS..Hα-helixtrans-56.4-45.9177.1-68.40000111.1A23 R24 R29 L30 G31 L32 P34A23-C27 PolarHBondContact O-N 3.2Å; A23-C27 PolarHBondContact O-SG 3.39Å; R24-C27 PolarHBondContact O-N 3.13Å; C27-R29 PolarHBondContact O-N 3.06Å; C27-L30 CarbonylContact O-C 3.48Å; C27-L30 WeakPolarHBondContact O-CA 3.27Å; C27-L30 PolarHBondContact O-N 3.11Å; C27-G31 PolarHBondContact O-N 3.22Å; C27-G31 VanDerWaalsContact O-N 3.12Å; C27-L32 CarbonylContact C-O 3.56Å; C27-L32 HydrophobicContact CB-CB 4.04Å; C27-L32 WeakPolarHBondContact CB-O 3.2Å; C27-L32 PolarHBondContact O-N 2.88Å; C27-L32 VanDerWaalsContact O-O 3.11Å; C27-P34 HydrophobicContact CB-CG 4.16Å
28G90.1Very high89.5Confident52 Ų5272 Ų7254%0.53637%0.369SS..Hα-helixtrans-58.8-42.5176.600000113.5R24 K25 L26 L30 G31R24-G28 PolarHBondContact O-N 2.87Å; K25-G28 PolarHBondContact O-N 2.8Å; L26-G28 VanDerWaalsContact C-N 3.3Å; L26-G28 PolarHBondContact O-N 2.66Å; G28-L30 VanDerWaalsContact C-N 3.26Å; G28-L30 PolarHBondContact O-N 3.24Å; G28-G31 PolarHBondContact O-N 3.11Å
29R90.7Very high89.4Confident190 Ų19073.4 Ų73.472%0.71738%0.378SS*.Hα-helixtrans-63.4-31.5174.8-73.9175.1178.5-179.5-4.1113.2K25 L26 C27K25-R29 WeakPolarHBondContact O-CG 3.46Å; K25-R29 PolarHBondContact O-N 2.88Å; K25-R29 VanDerWaalsContact O-N 3.08Å; L26-R29 PolarHBondContact O-N 2.6Å; L26-R29 VanDerWaalsContact O-N 3.16Å; C27-R29 PolarHBondContact O-N 3.06Å
30L91.5Very high88.7Confident32 Ų3274.6 Ų74.617%0.16838%0.38CS..THydrogen-bonded Turntrans-84.52.6175.4-63.3175.7000112.3L26 C27 G28 L32 K60 L61 F64L26-L30 HydrophobicContact CD1-CD1 4.21Å; L26-L30 HydrophobicContact CD1-CG 4.46Å; L26-L30 HydrophobicContact CG-CD1 4.14Å; L26-L30 WeakPolarHBondContact O-CG 2.95Å; L26-L30 PolarHBondContact O-N 3.1Å; C27-L30 CarbonylContact O-C 3.48Å; C27-L30 WeakPolarHBondContact O-CA 3.27Å; C27-L30 PolarHBondContact O-N 3.11Å; G28-L30 VanDerWaalsContact C-N 3.26Å; G28-L30 PolarHBondContact O-N 3.24Å; L30-L32 VanDerWaalsContact C-N 3.28Å; L30-L32 HydrophobicContact CB-CD1 4.15Å; L30-L32 HydrophobicContact CB-CG 4.14Å; L30-L32 PolarHBondContact O-N 3.48Å; L30-K60 HydrophobicContact CB-CD 4.35Å; L30-K60 WeakPolarHBondContact O-CD 3.47Å; L30-K60 WeakPolarHBondContact O-CE 3.29Å; L30-K60 PolarHBondContact O-NZ 2.92Å; L30-L61 HydrophobicContact CD1-CD2 3.53Å; L30-L61 HydrophobicContact CD1-CG 4.42Å; L30-F64 HydrophobicContact CD1-CD2 4.46Å; L30-F64 HydrophobicContact CD1-CE2 4.42Å; L30-F64 HydrophobicContact CD2-CD2 4.27Å; L30-F64 HydrophobicContact CD2-CE2 3.82Å; L30-F64 HydrophobicContact CD2-CZ 4.43Å
31G91.5Very high88.3Confident53 Ų5373 Ų7355%0.54638%0.377SS..THydrogen-bonded Turntrans66.729.7-17600000113.2C27 G28C27-G31 PolarHBondContact O-N 3.22Å; C27-G31 VanDerWaalsContact O-N 3.12Å; G28-G31 PolarHBondContact O-N 3.11Å
32L92.4Very high88Confident4 Ų467 Ų672%0.02135%0.354CS..  trans-108.6129.2176.4-59.7175.7000109.2C27 L30 P34 F48 L56 A57 K60 L61C27-L32 CarbonylContact C-O 3.56Å; C27-L32 HydrophobicContact CB-CB 4.04Å; C27-L32 WeakPolarHBondContact CB-O 3.2Å; C27-L32 PolarHBondContact O-N 2.88Å; C27-L32 VanDerWaalsContact O-O 3.11Å; L30-L32 VanDerWaalsContact C-N 3.28Å; L30-L32 HydrophobicContact CB-CD1 4.15Å; L30-L32 HydrophobicContact CB-CG 4.14Å; L30-L32 PolarHBondContact O-N 3.48Å; L32-P34 WeakPolarHBondContact O-CD 3.41Å; L32-F48 HydrophobicContact CB-CE1 4.25Å; L32-L56 HydrophobicContact CD2-CD2 4.32Å; L32-L56 HydrophobicContact CD2-CG 4.14Å; L32-A57 HydrophobicContact CD1-CB 4.04Å; L32-A57 HydrophobicContact CD2-CB 3.94Å; L32-K60 HydrophobicContact CD1-CB 4.27Å; L32-K60 HydrophobicContact CD2-CD 4.18Å; L32-K60 HydrophobicContact CG-CD 4.33Å; L32-L61 HydrophobicContact CD1-CD1 3.77Å; L32-L61 HydrophobicContact CD1-CD2 4.43Å; L32-L61 HydrophobicContact CD1-CG 3.91Å
33N90.3Very high87.7Confident134 Ų13464.7 Ų64.772%0.71734%0.341SS*.  trans-120.678.6177.7-166.623.5000111.7K35N33-K35 PolarHBondContact O-N 2.87Å
34P89.5Confident87.5Confident4 Ų464.7 Ų64.73%0.02634%0.341CS..  trans-70.6130.2177.927.1-32.4000111.1C27 L32 K36 L37 L46 T47 F48C27-P34 HydrophobicContact CB-CG 4.16Å; L32-P34 WeakPolarHBondContact O-CD 3.41Å; P34-K36 PolarHBondContact O-N 3.43Å; P34-L37 HydrophobicContact CB-CD1 4.46Å; P34-L37 HydrophobicContact CB-CG 4.11Å; P34-L37 HydrophobicContact CG-CD1 3.84Å; P34-L37 HydrophobicContact CG-CD2 3.66Å; P34-L37 HydrophobicContact CG-CG 3.58Å; P34-L46 HydrophobicContact CB-CB 4.19Å; P34-L46 HydrophobicContact CB-CD2 4.35Å; P34-L46 HydrophobicContact CG-CD2 4.2Å; P34-T47 CarbonylContact C-O 3.54Å; P34-T47 WeakPolarHBondContact CA-O 3.47Å; P34-F48 HydrophobicContact CB-CD1 4.22Å; P34-F48 HydrophobicContact CB-CE1 3.76Å; P34-F48 HydrophobicContact CB-CZ 3.94Å; P34-F48 HydrophobicContact CG-CE1 4.34Å
35K88.3Confident87.3Confident158 Ų15859.1 Ų59.169%0.68732%0.32SS*.SBendtrans-59.2-36.9174.6-176.3175.6-178.1173.10111.7N33 T47N33-K35 PolarHBondContact O-N 2.87Å; K35-T47 PolarHBondContact N-O 3.37Å
36K87.8Confident87.3Confident136 Ų13653 Ų5359%0.59129%0.293SS*.EExtended strand (participates in β ladder)trans-137.6138.1178.3-167.5176.5-178.4177.70110.2P34 T47P34-K36 PolarHBondContact O-N 3.43Å; K36-T47 PolarHBondContact N-O 2.8Å; K36-T47 PolarHBondContact O-N 2.99Å
37L90Very high87.2Confident20 Ų2054.2 Ų54.211%0.10530%0.301CS..EExtended strand (participates in β ladder)trans-125.2133.3170-49.192.6000108.9A23 R24 P34 I44 Y45 L46A23-L37 HydrophobicContact CB-CD2 3.92Å; R24-L37 HydrophobicContact CB-CD1 4.38Å; R24-L37 HydrophobicContact CB-CD2 4.46Å; R24-L37 HydrophobicContact CG-CD1 4.41Å; P34-L37 HydrophobicContact CB-CD1 4.46Å; P34-L37 HydrophobicContact CB-CG 4.11Å; P34-L37 HydrophobicContact CG-CD1 3.84Å; P34-L37 HydrophobicContact CG-CD2 3.66Å; P34-L37 HydrophobicContact CG-CG 3.58Å; L37-I44 HydrophobicContact CB-CD1 4.18Å; L37-I44 HydrophobicContact CD2-CD1 4.33Å; L37-Y45 CarbonylContact C-O 3.57Å; L37-Y45 VanDerWaalsContact CA-O 3.3Å; L37-Y45 WeakPolarHBondContact CA-O 3.29Å; L37-L46 HydrophobicContact CB-CD2 4Å; L37-L46 HydrophobicContact CD2-CD2 3.48Å; L37-L46 VanDerWaalsContact CD2-CD2 3.48Å; L37-L46 HydrophobicContact CG-CD2 3.69Å
38C83.8Confident87.1Confident42 Ų4254.4 Ų54.428%0.28430%0.302SS..EExtended strand (participates in β ladder)trans-137.895.2179.3-172.80000109.9Y45C38-Y45 PolarHBondContact N-O 2.61Å; C38-Y45 PolarHBondContact O-N 2.78Å
39P82.1Confident86.9Confident41 Ų4159 Ų5927%0.26631%0.309SS..EExtended strand (participates in β ladder)trans-69.2133.4172.1-12.426.9000109.8P20 I44P20-P39 HydrophobicContact CB-CG 4.4Å; P20-P39 HydrophobicContact CG-CG 3.85Å; P39-I44 HydrophobicContact CB-CD1 4.42Å; P39-I44 HydrophobicContact CB-CG1 4.38Å; P39-I44 HydrophobicContact CG-CD1 3.89Å; P39-I44 HydrophobicContact CG-CG1 4.2Å
40V73.4Confident86.7Confident50 Ų5052.4 Ų52.430%0.30329%0.291SS..EExtended strand (participates in β ladder)trans-139.8110.4174.8175.40000108.7D42 H43 Y45V40-D42 PolarHBondContact O-N 2.82Å; V40-D42 VanDerWaalsContact O-N 3.09Å; V40-H43 CarbonylContact C-O 3.41Å; V40-H43 PolarHBondContact N-O 2.86Å; V40-H43 PolarHBondContact O-CD2 3.38Å; V40-H43 PolarHBondContact O-N 2.89Å; V40-H43 VanDerWaalsContact O-N 3.08Å; V40-H43 VanDerWaalsContact O-O 3.11Å; V40-Y45 HydrophobicContact CB-CE2 4.48Å
41G76.9Confident86.2Confident42 Ų4253.9 Ų53.943%0.43330%0.299SS..THydrogen-bonded Turntrans56.4-117.2-177.500000111.1R16R16-G41 WeakPolarHBondContact CG-O 3.42Å
42D82.4Confident86Confident62 Ų6258.4 Ų58.433%0.33231%0.306SS..THydrogen-bonded Turntrans-100.420.3-176.862.4-53.9000113.9N13 W14 V40N13-D42 CarbonylContact C-O 3.59Å; N13-D42 WeakPolarHBondContact CA-O 3.47Å; N13-D42 PolarHBondContact N-O 2.65Å; W14-D42 PolarHBondContact N-O 3.37Å; W14-D42 CarbonylContact O-C 3.57Å; W14-D42 WeakPolarHBondContact O-CA 3.33Å; V40-D42 PolarHBondContact O-N 2.82Å; V40-D42 VanDerWaalsContact O-N 3.09Å
43H82.7Confident85.8Confident44 Ų4460.9 Ų60.920%0.20432%0.319CS..EExtended strand (participates in β ladder)trans-140.7160.5174.111.5-84.1000111.6I10 V11 H12 V40I10-H43 HydrophobicContact CG2-CB 4.36Å; V11-H43 CarbonylContact O-C 3.44Å; V11-H43 WeakPolarHBondContact O-CA 3.25Å; V11-H43 WeakPolarHBondContact O-CB 3.38Å; H12-H43 AromaticContact ND1-ND1 3.82Å; V40-H43 CarbonylContact C-O 3.41Å; V40-H43 PolarHBondContact N-O 2.86Å; V40-H43 PolarHBondContact O-CD2 3.38Å; V40-H43 PolarHBondContact O-N 2.89Å; V40-H43 VanDerWaalsContact O-N 3.08Å; V40-H43 VanDerWaalsContact O-O 3.11Å
44I87.2Confident85.6Confident0 Ų054.5 Ų54.50%029%0.285CS..EExtended strand (participates in β ladder)trans-129.7136.7172-170.7168.7000110.8V11 W14 A23 L37 P39 L46V11-I44 HydrophobicContact CB-CG2 3.71Å; V11-I44 HydrophobicContact CG1-CG2 4.48Å; V11-I44 HydrophobicContact CG2-CG2 4.13Å; V11-I44 PolarHBondContact N-O 2.92Å; V11-I44 PolarHBondContact O-N 2.94Å; W14-I44 HydrophobicContact CB-CG2 4.48Å; W14-I44 HydrophobicContact CD2-CB 3.95Å; W14-I44 HydrophobicContact CD2-CG2 3.43Å; W14-I44 VanDerWaalsContact CD2-CG2 3.43Å; W14-I44 HydrophobicContact CE3-CB 4.33Å; W14-I44 HydrophobicContact CE3-CG2 3.32Å; W14-I44 HydrophobicContact CG-CB 4.08Å; W14-I44 HydrophobicContact CG-CG2 3.97Å; W14-I44 HydrophobicContact CH2-CD1 4.36Å; W14-I44 HydrophobicContact CH2-CG2 4.09Å; W14-I44 HydrophobicContact CZ2-CD1 3.9Å; W14-I44 HydrophobicContact CZ2-CG2 4.24Å; W14-I44 HydrophobicContact CZ3-CG2 3.66Å; A23-I44 HydrophobicContact CB-CD1 3.44Å; A23-I44 VanDerWaalsContact CB-CD1 3.44Å; L37-I44 HydrophobicContact CB-CD1 4.18Å; L37-I44 HydrophobicContact CD2-CD1 4.33Å; P39-I44 HydrophobicContact CB-CD1 4.42Å; P39-I44 HydrophobicContact CB-CG1 4.38Å; P39-I44 HydrophobicContact CG-CD1 3.89Å; P39-I44 HydrophobicContact CG-CG1 4.2Å; I44-L46 HydrophobicContact CD1-CD2 4.02Å; I44-L46 HydrophobicContact CG1-CD2 4Å; I44-L46 HydrophobicContact CG2-CD2 4.49Å
45Y87.9Confident85.6Confident29 Ų2957.2 Ų57.211%0.11430%0.301CS..EExtended strand (participates in β ladder)trans-95127.7172.6-64.3-99.5000109.3I10 L37 C38 V40I10-Y45 HydrophobicContact CD1-CD1 4.02Å; I10-Y45 HydrophobicContact CD1-CE1 3.36Å; I10-Y45 HydrophobicContact CG1-CD1 3.57Å; I10-Y45 HydrophobicContact CG1-CE1 3.46Å; I10-Y45 VanDerWaalsContact CG1-CE1 3.46Å; I10-Y45 HydrophobicContact CG1-CG 4.49Å; L37-Y45 CarbonylContact C-O 3.57Å; L37-Y45 VanDerWaalsContact CA-O 3.3Å; L37-Y45 WeakPolarHBondContact CA-O 3.29Å; C38-Y45 PolarHBondContact N-O 2.61Å; C38-Y45 PolarHBondContact O-N 2.78Å; V40-Y45 HydrophobicContact CB-CE2 4.48Å
46L90.4Very high85.7Confident0 Ų052.4 Ų52.40%028%0.282CS..EExtended strand (participates in β ladder)trans-119.2114.5178-56.5-179000109.1C8 V9 V11 P34 L37 I44 F48 L61C8-L46 CarbonylContact C-O 3.58Å; C8-L46 WeakPolarHBondContact CA-O 3.48Å; V9-L46 HydrophobicContact CB-CB 4.46Å; V9-L46 PolarHBondContact N-O 3.45Å; V9-L46 PolarHBondContact O-N 3.03Å; V11-L46 HydrophobicContact CG2-CD1 3.88Å; V11-L46 HydrophobicContact CG2-CG 4.35Å; P34-L46 HydrophobicContact CB-CB 4.19Å; P34-L46 HydrophobicContact CB-CD2 4.35Å; P34-L46 HydrophobicContact CG-CD2 4.2Å; L37-L46 HydrophobicContact CB-CD2 4Å; L37-L46 HydrophobicContact CD2-CD2 3.48Å; L37-L46 VanDerWaalsContact CD2-CD2 3.48Å; L37-L46 HydrophobicContact CG-CD2 3.69Å; I44-L46 HydrophobicContact CD1-CD2 4.02Å; I44-L46 HydrophobicContact CG1-CD2 4Å; I44-L46 HydrophobicContact CG2-CD2 4.49Å; L46-F48 HydrophobicContact CB-CD2 4.41Å; L46-F48 HydrophobicContact CB-CE2 3.52Å; L46-F48 HydrophobicContact CB-CZ 3.87Å; L46-F48 HydrophobicContact CD1-CE2 4.41Å; L46-F48 HydrophobicContact CD1-CZ 4.18Å; L46-L61 HydrophobicContact CD1-CD1 3.46Å; L46-L61 VanDerWaalsContact CD1-CD1 3.46Å
47T89.8Confident85.9Confident46 Ų4645.9 Ų45.928%0.28225%0.254SS..EExtended strand (participates in β ladder)trans-99.9125.4177.4-48.80000109.7P34 K35 K36P34-T47 CarbonylContact C-O 3.54Å; P34-T47 WeakPolarHBondContact CA-O 3.47Å; K35-T47 PolarHBondContact N-O 3.37Å; K36-T47 PolarHBondContact N-O 2.8Å; K36-T47 PolarHBondContact O-N 2.99Å
48F90.5Very high85.9Confident3 Ų346.6 Ų46.61%0.01326%0.258CS..  trans-108.2164.8179.3-63.5-84.7000111.6S7 V9 L32 P34 L46 L53 A57S7-F48 WeakPolarHBondContact CB-O 3.08Å; S7-F48 PolarHBondContact O-N 3.07Å; S7-F48 PolarHBondContact OG-O 3.24Å; V9-F48 HydrophobicContact CB-CE2 4.19Å; V9-F48 HydrophobicContact CG2-CD2 4.04Å; V9-F48 HydrophobicContact CG2-CE2 3.89Å; L32-F48 HydrophobicContact CB-CE1 4.25Å; P34-F48 HydrophobicContact CB-CD1 4.22Å; P34-F48 HydrophobicContact CB-CE1 3.76Å; P34-F48 HydrophobicContact CB-CZ 3.94Å; P34-F48 HydrophobicContact CG-CE1 4.34Å; L46-F48 HydrophobicContact CB-CD2 4.41Å; L46-F48 HydrophobicContact CB-CE2 3.52Å; L46-F48 HydrophobicContact CB-CZ 3.87Å; L46-F48 HydrophobicContact CD1-CE2 4.41Å; L46-F48 HydrophobicContact CD1-CZ 4.18Å; F48-L53 HydrophobicContact CB-CB 3.81Å; F48-L53 HydrophobicContact CD1-CB 3.98Å; F48-L53 HydrophobicContact CG-CB 4.09Å; F48-A57 HydrophobicContact CD2-CB 4.25Å; F48-A57 HydrophobicContact CE1-CB 4.13Å; F48-A57 HydrophobicContact CE2-CB 3.38Å; F48-A57 HydrophobicContact CZ-CB 3.32Å
49E85.5Confident86.3Confident148 Ų14851.3 Ų51.369%0.69228%0.275SS*.SBendtrans-75.6-38.4178.6-68.9-178.3168.100112.1
50T86.2Confident86.8Confident53 Ų5353.1 Ų53.133%0.32528%0.279SS..SBendtrans-122.4157.7-177.572.80000111.9E52 L53 S54T50-E52 PolarHBondContact O-N 2.89Å; T50-E52 PolarHBondContact OG1-OE2 2.82Å; T50-L53 PolarHBondContact O-N 3.42Å; T50-L53 WeakPolarHBondContact OG1-CG 3.39Å; T50-L53 PolarHBondContact OG1-N 3.43Å; T50-S54 PolarHBondContact O-N 3.08Å
51N82.3Confident87.7Confident63 Ų6350.8 Ų50.834%0.33727%0.265SS..Hα-helixtrans-65.3-29173.5-95.6-61.9000112.2K5 S54 T55 K75K5-N51 PolarHBondContact O-ND2 2.96Å; N51-S54 WeakPolarHBondContact CA-OG 3.46Å; N51-S54 PolarHBondContact O-N 3.36Å; N51-S54 PolarHBondContact O-OG 2.71Å; N51-T55 PolarHBondContact O-N 3.45Å; N51-T55 VanDerWaalsContact O-N 3.08Å; N51-T55 PolarHBondContact O-OG1 2.84Å; N51-K75 PolarHBondContact OD1-NZ 3.25Å
52E85.7Confident88.3Confident148 Ų14853 Ų5369%0.69227%0.267SS*.Hα-helixtrans-63.3-48.3174.8-63.3134.2-178.700110.8T50 S54 T55 L56T50-E52 PolarHBondContact O-N 2.89Å; T50-E52 PolarHBondContact OG1-OE2 2.82Å; E52-S54 VanDerWaalsContact C-N 3.3Å; E52-S54 PolarHBondContact O-N 3.3Å; E52-T55 WeakPolarHBondContact O-CB 3.26Å; E52-T55 PolarHBondContact O-N 3.36Å; E52-L56 PolarHBondContact O-N 3.4Å
53L89.1Confident88.5Confident56 Ų5652.3 Ų52.329%0.29327%0.274SS..Hα-helixtrans-61.8-37.8177.2-72.2174000112.5F48 T50 T55 L56 A57F48-L53 HydrophobicContact CB-CB 3.81Å; F48-L53 HydrophobicContact CD1-CB 3.98Å; F48-L53 HydrophobicContact CG-CB 4.09Å; T50-L53 PolarHBondContact O-N 3.42Å; T50-L53 WeakPolarHBondContact OG1-CG 3.39Å; T50-L53 PolarHBondContact OG1-N 3.43Å; L53-T55 VanDerWaalsContact C-N 3.27Å; L53-T55 PolarHBondContact O-N 3.1Å; L53-L56 PolarHBondContact O-N 3.01Å; L53-A57 WeakPolarHBondContact O-CB 3.27Å; L53-A57 PolarHBondContact O-N 2.87Å
54S86.5Confident88.9Confident0 Ų053.2 Ų53.20%028%0.277CS..Hα-helixtrans-64.6-33.4174.774.70000112.5V9 T50 N51 E52 I58 K75V9-S54 VanDerWaalsContact CG2-O 3.28Å; V9-S54 WeakPolarHBondContact CG2-O 3.44Å; T50-S54 PolarHBondContact O-N 3.08Å; N51-S54 WeakPolarHBondContact CA-OG 3.46Å; N51-S54 PolarHBondContact O-N 3.36Å; N51-S54 PolarHBondContact O-OG 2.71Å; E52-S54 VanDerWaalsContact C-N 3.3Å; E52-S54 PolarHBondContact O-N 3.3Å; S54-I58 WeakPolarHBondContact O-CD1 3.36Å; S54-I58 WeakPolarHBondContact O-CG1 3.43Å; S54-I58 PolarHBondContact O-N 2.84Å; S54-K75 VanDerWaalsContact OG-CE 3.23Å; S54-K75 WeakPolarHBondContact OG-CE 3.39Å; S54-K75 PolarHBondContact OG-NZ 3Å
55T88.8Confident89Confident60 Ų6057.3 Ų57.337%0.36830%0.303SS..Hα-helixtrans-74.2-45.5178.9-50.50000110.1N51 E52 L53 A57 I58 E59 K75N51-T55 PolarHBondContact O-N 3.45Å; N51-T55 VanDerWaalsContact O-N 3.08Å; N51-T55 PolarHBondContact O-OG1 2.84Å; E52-T55 WeakPolarHBondContact O-CB 3.26Å; E52-T55 PolarHBondContact O-N 3.36Å; L53-T55 VanDerWaalsContact C-N 3.27Å; L53-T55 PolarHBondContact O-N 3.1Å; T55-A57 VanDerWaalsContact C-N 3.26Å; T55-A57 PolarHBondContact O-N 3.19Å; T55-I58 WeakPolarHBondContact O-CB 3.5Å; T55-I58 PolarHBondContact O-N 3.37Å; T55-E59 PolarHBondContact O-N 3.48Å; T55-K75 PolarHBondContact OG1-NZ 3.39Å
56L91.7Very high89.1Confident57 Ų5757 Ų5730%0.29830%0.303SS..Hα-helixtrans-57.7-38.4172.4-177.366000112.4L32 E52 L53 I58 E59 K60L32-L56 HydrophobicContact CD2-CD2 4.32Å; L32-L56 HydrophobicContact CD2-CG 4.14Å; E52-L56 PolarHBondContact O-N 3.4Å; L53-L56 PolarHBondContact O-N 3.01Å; L56-I58 VanDerWaalsContact C-N 3.33Å; L56-E59 PolarHBondContact O-N 3.38Å; L56-K60 HydrophobicContact CD1-CD 4.45Å; L56-K60 HydrophobicContact CG-CD 4.46Å; L56-K60 WeakPolarHBondContact O-CG 3.37Å; L56-K60 PolarHBondContact O-N 3.04Å
57A91.7Very high88.9Confident0 Ų064.1 Ų64.10%033%0.334CS..Hα-helixtrans-64.3-38.8176.300000112.2V9 L32 F48 L53 T55 K60 L61V9-A57 HydrophobicContact CG2-CB 4.27Å; L32-A57 HydrophobicContact CD1-CB 4.04Å; L32-A57 HydrophobicContact CD2-CB 3.94Å; F48-A57 HydrophobicContact CD2-CB 4.25Å; F48-A57 HydrophobicContact CE1-CB 4.13Å; F48-A57 HydrophobicContact CE2-CB 3.38Å; F48-A57 HydrophobicContact CZ-CB 3.32Å; L53-A57 WeakPolarHBondContact O-CB 3.27Å; L53-A57 PolarHBondContact O-N 2.87Å; T55-A57 VanDerWaalsContact C-N 3.26Å; T55-A57 PolarHBondContact O-N 3.19Å; A57-K60 PolarHBondContact O-N 2.9Å; A57-L61 HydrophobicContact CB-CD1 4.41Å; A57-L61 WeakPolarHBondContact O-CB 3.35Å; A57-L61 WeakPolarHBondContact O-CD1 3.37Å; A57-L61 VanDerWaalsContact O-CG 3.28Å; A57-L61 WeakPolarHBondContact O-CG 3.34Å; A57-L61 PolarHBondContact O-N 2.89Å
58I90.2Very high88.7Confident35 Ų3571.9 Ų71.918%0.17936%0.364CS..Hα-helixtrans-65.2-47.7175.6-69.5163.2000110.1V9 S54 T55 L56 K60 L61 N62 A73 K75V9-I58 HydrophobicContact CG1-CD1 4.45Å; V9-I58 HydrophobicContact CG1-CG1 3.68Å; V9-I58 HydrophobicContact CG2-CD1 4.24Å; V9-I58 HydrophobicContact CG2-CG1 4.04Å; S54-I58 WeakPolarHBondContact O-CD1 3.36Å; S54-I58 WeakPolarHBondContact O-CG1 3.43Å; S54-I58 PolarHBondContact O-N 2.84Å; T55-I58 WeakPolarHBondContact O-CB 3.5Å; T55-I58 PolarHBondContact O-N 3.37Å; L56-I58 VanDerWaalsContact C-N 3.33Å; I58-K60 VanDerWaalsContact C-N 3.26Å; I58-K60 PolarHBondContact O-N 3.11Å; I58-L61 PolarHBondContact O-N 3.4Å; I58-N62 HydrophobicContact CG2-CB 4.44Å; I58-N62 WeakPolarHBondContact O-CB 3.45Å; I58-N62 PolarHBondContact O-N 2.94Å; I58-A73 HydrophobicContact CG1-CB 4.45Å; I58-K75 HydrophobicContact CD1-CB 4.25Å; I58-K75 HydrophobicContact CD1-CG 3.41Å; I58-K75 VanDerWaalsContact CD1-CG 3.41Å
59E90.9Very high88.4Confident140 Ų14076.4 Ų76.465%0.65438%0.381SS*.Hα-helixtrans-56.4-40177.3-71.1176.817100112.7T55 L56T55-E59 PolarHBondContact O-N 3.48Å; L56-E59 PolarHBondContact O-N 3.38Å
60K92.2Very high88.5Confident80 Ų8072.8 Ų72.835%0.34837%0.369SS..Hα-helixtrans-82.8-28.1-177.5-71.7-170.2173.9175.90114.7L30 L32 L56 A57 I58L30-K60 HydrophobicContact CB-CD 4.35Å; L30-K60 WeakPolarHBondContact O-CD 3.47Å; L30-K60 WeakPolarHBondContact O-CE 3.29Å; L30-K60 PolarHBondContact O-NZ 2.92Å; L32-K60 HydrophobicContact CD1-CB 4.27Å; L32-K60 HydrophobicContact CD2-CD 4.18Å; L32-K60 HydrophobicContact CG-CD 4.33Å; L56-K60 HydrophobicContact CD1-CD 4.45Å; L56-K60 HydrophobicContact CG-CD 4.46Å; L56-K60 WeakPolarHBondContact O-CG 3.37Å; L56-K60 PolarHBondContact O-N 3.04Å; A57-K60 PolarHBondContact O-N 2.9Å; I58-K60 VanDerWaalsContact C-N 3.26Å; I58-K60 PolarHBondContact O-N 3.11Å
61L92.6Very high88.8Confident0 Ų070.3 Ų70.30%035%0.354CS..Hα-helixtrans-101.3-27.6-173.8-66.7166.6000112.7V11 L30 L32 L46 A57 I58 G63 F64 L71 A73V11-L61 HydrophobicContact CG2-CB 4.47Å; V11-L61 HydrophobicContact CG2-CD1 3.82Å; L30-L61 HydrophobicContact CD1-CD2 3.53Å; L30-L61 HydrophobicContact CD1-CG 4.42Å; L32-L61 HydrophobicContact CD1-CD1 3.77Å; L32-L61 HydrophobicContact CD1-CD2 4.43Å; L32-L61 HydrophobicContact CD1-CG 3.91Å; L46-L61 HydrophobicContact CD1-CD1 3.46Å; L46-L61 VanDerWaalsContact CD1-CD1 3.46Å; A57-L61 HydrophobicContact CB-CD1 4.41Å; A57-L61 WeakPolarHBondContact O-CB 3.35Å; A57-L61 WeakPolarHBondContact O-CD1 3.37Å; A57-L61 VanDerWaalsContact O-CG 3.28Å; A57-L61 WeakPolarHBondContact O-CG 3.34Å; A57-L61 PolarHBondContact O-N 2.89Å; I58-L61 PolarHBondContact O-N 3.4Å; L61-G63 PolarHBondContact O-N 2.9Å; L61-F64 WeakPolarHBondContact O-CB 3.21Å; L61-F64 PolarHBondContact O-N 3.27Å; L61-F64 VanDerWaalsContact O-N 3.13Å; L61-L71 HydrophobicContact CD2-CD1 4.45Å; L61-L71 WeakPolarHBondContact O-CB 3.1Å; L61-A73 HydrophobicContact CB-CB 3.74Å
62N89.2Confident88.9Confident90 Ų9075 Ų7548%0.48137%0.366SS..THydrogen-bonded Turntrans-70.4121.7177.9-162.441.4000109.7I58 F64 R72 A73I58-N62 HydrophobicContact CG2-CB 4.44Å; I58-N62 WeakPolarHBondContact O-CB 3.45Å; I58-N62 PolarHBondContact O-N 2.94Å; N62-F64 VanDerWaalsContact C-N 3.26Å; N62-F64 PolarHBondContact O-N 3.13Å; N62-R72 VanDerWaalsContact OD1-CA 3.32Å; N62-R72 WeakPolarHBondContact OD1-CA 3.45Å; N62-A73 HydrophobicContact CB-CB 4.07Å; N62-A73 PolarHBondContact OD1-N 2.87Å
63G86.4Confident89.1Confident46 Ų4668.2 Ų68.247%0.47434%0.336SS..THydrogen-bonded Turntrans81.7-4.2-173.200000114.7L61 T65 L71L61-G63 PolarHBondContact O-N 2.9Å; G63-T65 PolarHBondContact O-N 2.84Å; G63-L71 PolarHBondContact N-O 3.31Å
64F91.2Very high88.8Confident63 Ų6369.5 Ų69.528%0.27634%0.337SS..  trans-67.3130.4178.2-174.5-92.4000111L26 L30 L61 N62 L66 L71L26-F64 HydrophobicContact CD1-CE1 3.85Å; L26-F64 HydrophobicContact CD1-CZ 3.92Å; L26-F64 HydrophobicContact CD2-CE1 4.34Å; L30-F64 HydrophobicContact CD1-CD2 4.46Å; L30-F64 HydrophobicContact CD1-CE2 4.42Å; L30-F64 HydrophobicContact CD2-CD2 4.27Å; L30-F64 HydrophobicContact CD2-CE2 3.82Å; L30-F64 HydrophobicContact CD2-CZ 4.43Å; L61-F64 WeakPolarHBondContact O-CB 3.21Å; L61-F64 PolarHBondContact O-N 3.27Å; L61-F64 VanDerWaalsContact O-N 3.13Å; N62-F64 VanDerWaalsContact C-N 3.26Å; N62-F64 PolarHBondContact O-N 3.13Å; F64-L66 HydrophobicContact CD1-CB 4.17Å; F64-L66 HydrophobicContact CE1-CB 4.16Å; F64-L66 HydrophobicContact CE1-CD1 4.41Å; F64-L66 PolarHBondContact O-N 2.94Å; F64-L71 HydrophobicContact CB-CD1 4.43Å; F64-L71 HydrophobicContact CD1-CD1 4.03Å; F64-L71 WeakPolarHBondContact O-CB 3.35Å; F64-L71 WeakPolarHBondContact O-CG 3.4Å; F64-L71 PolarHBondContact O-N 3.45Å
65T90.7Very high88.6Confident87 Ų8772.1 Ų72.153%0.53435%0.348SS..EExtended strand (participates in β ladder)trans-91.7105.7179.3-60.10000111.1G63 R69G63-T65 PolarHBondContact O-N 2.84Å; T65-R69 CarbonylContact C-O 3.56Å; T65-R69 WeakPolarHBondContact CA-O 3.17Å
66L89.7Confident87.7Confident21 Ų2170.7 Ų70.711%0.1134%0.342CS..EExtended strand (participates in β ladder)trans-105.7112.5175.5-177.762.5000110.1W14 P15 V18 L26 F64 K68 R69 L71W14-L66 HydrophobicContact CD2-CD2 4.49Å; W14-L66 HydrophobicContact CE3-CD2 4.21Å; W14-L66 HydrophobicContact CH2-CD2 4.1Å; W14-L66 HydrophobicContact CZ2-CD2 4.32Å; W14-L66 HydrophobicContact CZ3-CD2 4.02Å; P15-L66 HydrophobicContact CG-CD2 3.97Å; P15-L66 HydrophobicContact CG-CG 4.1Å; V18-L66 HydrophobicContact CG2-CD2 4.37Å; L26-L66 HydrophobicContact CD2-CD1 3.94Å; L26-L66 HydrophobicContact CD2-CD2 3.81Å; L26-L66 HydrophobicContact CD2-CG 4.43Å; F64-L66 HydrophobicContact CD1-CB 4.17Å; F64-L66 HydrophobicContact CE1-CB 4.16Å; F64-L66 HydrophobicContact CE1-CD1 4.41Å; F64-L66 PolarHBondContact O-N 2.94Å; L66-K68 PolarHBondContact O-N 3.48Å; L66-R69 PolarHBondContact N-O 3.29Å; L66-R69 WeakPolarHBondContact O-CB 3.45Å; L66-R69 PolarHBondContact O-N 3.36Å; L66-L71 HydrophobicContact CB-CD1 3.99Å; L66-L71 HydrophobicContact CB-CD2 4.26Å; L66-L71 HydrophobicContact CB-CG 4.1Å; L66-L71 HydrophobicContact CD2-CD1 4.24Å
67K86.9Confident86Confident151 Ų15171.4 Ų71.466%0.65736%0.363SS*.THydrogen-bonded Turntrans51.551.5175.4-60.4-68.5-173.7177.70112.8F17 R69F17-K67 HydrophobicContact CE2-CB 4.47Å; F17-K67 HydrophobicContact CE2-CG 4.2Å; F17-K67 HydrophobicContact CZ-CB 4.18Å; F17-K67 HydrophobicContact CZ-CG 4.4Å; K67-R69 PolarHBondContact O-N 3.3Å
68K84.5Confident83.7Confident208 Ų20873.9 Ų73.990%0.90438%0.381SS*.THydrogen-bonded Turntrans66.611.9-176.8-50-179.1177.9-176.60115.2L66L66-K68 PolarHBondContact O-N 3.48Å
69R84.5Confident81.2Confident98 Ų9880.2 Ų80.237%0.3741%0.412SS..EExtended strand (participates in β ladder)trans-113.2124172.8-64.6-172.5175.9-148.3-0.8110.3N13 T65 L66 K67 L71N13-R69 WeakPolarHBondContact OD1-CD 3.47Å; N13-R69 PolarHBondContact OD1-NH1 3.03Å; T65-R69 CarbonylContact C-O 3.56Å; T65-R69 WeakPolarHBondContact CA-O 3.17Å; L66-R69 PolarHBondContact N-O 3.29Å; L66-R69 WeakPolarHBondContact O-CB 3.45Å; L66-R69 PolarHBondContact O-N 3.36Å; K67-R69 PolarHBondContact O-N 3.3Å; R69-L71 PolarHBondContact O-N 2.97Å
70T88.2Confident78.4Confident73 Ų7382.1 Ų82.145%0.44842%0.421SS..EExtended strand (participates in β ladder)trans-78.4117.6171-50.70000108.8N13N13-T70 PolarHBondContact ND2-O 3.43Å
71L91.2Very high75.8Confident0 Ų084 Ų840%045%0.451CS..  trans-75.9150.7179.3-59.7-178.1000110.4V11 N13 W14 L61 G63 F64 L66 R69V11-L71 HydrophobicContact CG1-CB 3.89Å; V11-L71 HydrophobicContact CG1-CD1 3.97Å; V11-L71 HydrophobicContact CG1-CD2 4.35Å; V11-L71 HydrophobicContact CG1-CG 4.29Å; N13-L71 WeakPolarHBondContact O-CD2 3Å; W14-L71 HydrophobicContact CE3-CD1 4.05Å; W14-L71 HydrophobicContact CE3-CD2 4.08Å; W14-L71 HydrophobicContact CZ3-CD1 3.88Å; L61-L71 HydrophobicContact CD2-CD1 4.45Å; L61-L71 WeakPolarHBondContact O-CB 3.1Å; G63-L71 PolarHBondContact N-O 3.31Å; F64-L71 HydrophobicContact CB-CD1 4.43Å; F64-L71 HydrophobicContact CD1-CD1 4.03Å; F64-L71 WeakPolarHBondContact O-CB 3.35Å; F64-L71 WeakPolarHBondContact O-CG 3.4Å; F64-L71 PolarHBondContact O-N 3.45Å; L66-L71 HydrophobicContact CB-CD1 3.99Å; L66-L71 HydrophobicContact CB-CD2 4.26Å; L66-L71 HydrophobicContact CB-CG 4.1Å; L66-L71 HydrophobicContact CD2-CD1 4.24Å; R69-L71 PolarHBondContact O-N 2.97Å
72R84.5Confident72.9Confident161 Ų16187.1 Ų87.161%0.60848%0.483SS*.EExtended strand (participates in β ladder)trans-123.9117.3171.8-53.5-178.7-156.4171.84.9109V11 H12 N62V11-R72 CarbonylContact C-O 3.51Å; V11-R72 WeakPolarHBondContact CA-O 3.32Å; H12-R72 HydrophobicContact CB-CB 4.33Å; H12-R72 PolarHBondContact N-O 3.36Å; H12-R72 PolarHBondContact O-N 3.22Å; N62-R72 VanDerWaalsContact OD1-CA 3.32Å; N62-R72 WeakPolarHBondContact OD1-CA 3.45Å
73A89.5Confident70.4Confident6 Ų687.2 Ų87.25%0.0549%0.491CS..EExtended strand (participates in β ladder)trans-112.4135.9-175.700000110.7V9 I10 V11 I58 L61 N62V9-A73 HydrophobicContact CG1-CB 4.2Å; I10-A73 WeakPolarHBondContact O-CA 3.38Å; V11-A73 HydrophobicContact CG1-CB 4.49Å; V11-A73 HydrophobicContact CG2-CB 4.16Å; I58-A73 HydrophobicContact CG1-CB 4.45Å; L61-A73 HydrophobicContact CB-CB 3.74Å; N62-A73 HydrophobicContact CB-CB 4.07Å; N62-A73 PolarHBondContact OD1-N 2.87Å
74R83.3Confident68.2Low84 Ų8492.4 Ų92.432%0.31751%0.508SS..EExtended strand (participates in β ladder)trans-148.1160.4176.865179.3179.5107.6-0.1111.8V9 I10 S78 E177V9-R74 CarbonylContact C-O 3.51Å; V9-R74 WeakPolarHBondContact CA-O 3.37Å; V9-R74 WeakPolarHBondContact CG1-O 3.44Å; I10-R74 PolarHBondContact N-O 3.3Å; I10-R74 PolarHBondContact O-N 3.08Å; R74-S78 PolarHBondContact NH1-O 2.84Å; R74-S78 VanDerWaalsContact NH1-O 3.15Å; R74-E177 IonicContact NH2-OE1 3.4Å
75K83.4Confident66.4Low55 Ų5594.9 Ų94.924%0.23953%0.533CS..EExtended strand (participates in β ladder)trans-66.2139.4171.1-72.4-163.3178-172.70109.8N51 S54 T55 I58 G77 S78N51-K75 PolarHBondContact OD1-NZ 3.25Å; S54-K75 VanDerWaalsContact OG-CE 3.23Å; S54-K75 WeakPolarHBondContact OG-CE 3.39Å; S54-K75 PolarHBondContact OG-NZ 3Å; T55-K75 PolarHBondContact OG1-NZ 3.39Å; I58-K75 HydrophobicContact CD1-CB 4.25Å; I58-K75 HydrophobicContact CD1-CG 3.41Å; I58-K75 VanDerWaalsContact CD1-CG 3.41Å; K75-G77 PolarHBondContact O-N 3.49Å; K75-S78 PolarHBondContact O-N 3.38Å; K75-S78 PolarHBondContact O-OG 3.45Å; K75-S78 VanDerWaalsContact O-OG 3.13Å
76A69.7Low65.4Low29 Ų2994.6 Ų94.624%0.2453%0.531CS..THydrogen-bonded Turntrans-64.5109169.600000108.1S6 C8 I10S6-A76 PolarHBondContact OG-O 3.42Å; C8-A76 HydrophobicContact CB-CB 3.9Å; C8-A76 WeakPolarHBondContact O-CB 3.45Å; C8-A76 PolarHBondContact O-N 3.11Å; I10-A76 HydrophobicContact CD1-CB 4.16Å; I10-A76 HydrophobicContact CG1-CB 4.11Å
77G55.3Low65.1Low72 Ų7295.7 Ų95.774%0.74254%0.541SS*.THydrogen-bonded Turntrans111.7-12179.400000116K75 M79K75-G77 PolarHBondContact O-N 3.49Å; G77-M79 PolarHBondContact O-N 3.37Å
78S44Very low65.3Low53 Ų5389 Ų8937%0.37151%0.512SS..  trans-82.9110.8170.8570000109.7R74 K75R74-S78 PolarHBondContact NH1-O 2.84Å; R74-S78 VanDerWaalsContact NH1-O 3.15Å; K75-S78 PolarHBondContact O-N 3.38Å; K75-S78 PolarHBondContact O-OG 3.45Å; K75-S78 VanDerWaalsContact O-OG 3.13Å
79M37.5Very low65.5Low168 Ų16879.7 Ų79.783%0.82847%0.473SS*.  trans-83.5107.7170.2-69.6176.585.200108.5G77G77-M79 PolarHBondContact O-N 3.37Å
80E32.4Very low65.8Low180 Ų18078.4 Ų78.484%0.84147%0.473SS*.  trans-84.7124.5151.7-79.8-174.5164.900106.7G82E80-G82 PolarHBondContact O-N 3.44Å
81A36.1Very low65.9Low120 Ų12078 Ų7899%0.99247%0.471SS*.SBendtrans-73.141.6-177.500000112.9
82G31.9Very low66Low65 Ų6579.7 Ų79.767%0.6748%0.481SS*.  trans-150.258.2-169.500000113.2E80E80-G82 PolarHBondContact O-N 3.44Å
83S36.6Very low66.5Low92 Ų9272 Ų7264%0.64345%0.452SS*.SBendtrans-162.3109151.866.70000108.7S85S83-S85 PolarHBondContact O-N 2.89Å
84D41.6Very low66.7Low154 Ų15474.7 Ų74.782%0.82447%0.468SS*.  trans28.382.4167.4-58.5-23.1000113.9T86D84-T86 PolarHBondContact O-N 3.43Å
85S54Low67.4Low116 Ų11672.4 Ų72.481%0.81146%0.46SS*.  trans-58.797.9165.6600000106.7S83 S87S83-S85 PolarHBondContact O-N 2.89Å; S85-S87 PolarHBondContact O-N 2.65Å; S85-S87 VanDerWaalsContact O-N 3.09Å
86T68.4Low67.9Low80 Ų8071.8 Ų71.849%0.49146%0.458SS..  trans-51.7122179.4-50.40000106.7D84 D90 V91 L172D84-T86 PolarHBondContact O-N 3.43Å; T86-D90 HydrophobicContact CG2-CB 4.09Å; T86-V91 HydrophobicContact CG2-CG2 3.83Å; T86-L172 VanDerWaalsContact O-CD1 3.3Å; T86-L172 WeakPolarHBondContact O-CD1 3.36Å
87S84.7Confident69Low44 Ų4476 Ų7631%0.30848%0.476SS..  trans-67.6148.2179.8-178.80000108.4S85 T89 D90 V91S85-S87 PolarHBondContact O-N 2.65Å; S85-S87 VanDerWaalsContact O-N 3.09Å; S87-T89 WeakPolarHBondContact CB-OG1 3.46Å; S87-T89 PolarHBondContact O-N 3.14Å; S87-T89 PolarHBondContact OG-N 2.92Å; S87-T89 PolarHBondContact OG-OG1 3.45Å; S87-D90 VanDerWaalsContact CB-OD2 3.27Å; S87-D90 WeakPolarHBondContact CB-OD2 3.32Å; S87-D90 PolarHBondContact N-OD2 3.44Å; S87-D90 VanDerWaalsContact N-OD2 3.09Å; S87-D90 WeakPolarHBondContact O-CB 3.41Å; S87-D90 PolarHBondContact O-N 3.34Å; S87-V91 PolarHBondContact O-N 2.97Å
88I89.1Confident70.9Confident11 Ų1173.4 Ų73.46%0.05645%0.446CS..Hα-helixtrans-59.9-31.2174.4-169.459.4000111.4D90 V91 V92 F170 L172 A182 P183I88-D90 VanDerWaalsContact C-N 3.33Å; I88-D90 PolarHBondContact O-N 3.38Å; I88-V91 HydrophobicContact CD1-CB 4.29Å; I88-V91 WeakPolarHBondContact O-CB 3.33Å; I88-V91 PolarHBondContact O-N 3.36Å; I88-V91 VanDerWaalsContact O-N 3.12Å; I88-V92 HydrophobicContact CD1-CG1 4.18Å; I88-V92 HydrophobicContact CG1-CG1 4.31Å; I88-V92 VanDerWaalsContact O-CG2 3.27Å; I88-V92 WeakPolarHBondContact O-CG2 3.45Å; I88-V92 PolarHBondContact O-N 2.98Å; I88-F170 HydrophobicContact CD1-CB 3.54Å; I88-F170 HydrophobicContact CG1-CB 3.8Å; I88-F170 HydrophobicContact CG1-CD2 4.48Å; I88-L172 HydrophobicContact CB-CD1 3.96Å; I88-L172 HydrophobicContact CD1-CD1 3.82Å; I88-A182 HydrophobicContact CB-CB 3.66Å; I88-A182 HydrophobicContact CD1-CB 4.07Å; I88-A182 HydrophobicContact CG1-CB 3.86Å; I88-A182 HydrophobicContact CG2-CB 4.17Å; I88-P183 WeakPolarHBondContact CG2-O 3.18Å
89T90.2Very high73.5Confident13 Ų1374.8 Ų74.88%0.0845%0.453CS..Hα-helixtrans-60.7-39.817558.10000112.3S87 V91 T93 D186S87-T89 WeakPolarHBondContact CB-OG1 3.46Å; S87-T89 PolarHBondContact O-N 3.14Å; S87-T89 PolarHBondContact OG-N 2.92Å; S87-T89 PolarHBondContact OG-OG1 3.45Å; T89-V91 VanDerWaalsContact C-N 3.26Å; T89-V91 PolarHBondContact O-N 3.49Å; T89-T93 CarbonylContact O-C 3.59Å; T89-T93 WeakPolarHBondContact O-CA 3.26Å; T89-T93 PolarHBondContact O-N 2.94Å; T89-T93 VanDerWaalsContact O-O 3.06Å; T89-T93 PolarHBondContact O-OG1 3.12Å; T89-D186 HydrophobicContact CG2-CB 3.71Å; T89-D186 WeakPolarHBondContact CG2-O 3.32Å
90D90.4Very high76.4Confident70 Ų7068 Ų6837%0.37442%0.419SS..Hα-helixtrans-67-28.7175.6-56.3-36.6000112.1T86 S87 I88 P94 H96T86-D90 HydrophobicContact CG2-CB 4.09Å; S87-D90 VanDerWaalsContact CB-OD2 3.27Å; S87-D90 WeakPolarHBondContact CB-OD2 3.32Å; S87-D90 PolarHBondContact N-OD2 3.44Å; S87-D90 VanDerWaalsContact N-OD2 3.09Å; S87-D90 WeakPolarHBondContact O-CB 3.41Å; S87-D90 PolarHBondContact O-N 3.34Å; I88-D90 VanDerWaalsContact C-N 3.33Å; I88-D90 PolarHBondContact O-N 3.38Å; D90-P94 WeakPolarHBondContact O-CA 3.4Å; D90-P94 WeakPolarHBondContact O-CB 3.33Å; D90-H96 IonicContact OD1-CD2 2.65Å; D90-H96 IonicContact OD1-CE1 3.26Å; D90-H96 IonicContact OD1-NE2 3.08Å; D90-H96 PolarHBondContact OD1-NE2 3.38Å
91V89.7Confident79.5Confident66 Ų6665.6 Ų65.640%0.441%0.408SS..Hα-helixtrans-77.2-46.4178.7177.70000111.6T86 S87 I88 T89 L172T86-V91 HydrophobicContact CG2-CG2 3.83Å; S87-V91 PolarHBondContact O-N 2.97Å; I88-V91 HydrophobicContact CD1-CB 4.29Å; I88-V91 WeakPolarHBondContact O-CB 3.33Å; I88-V91 PolarHBondContact O-N 3.36Å; I88-V91 VanDerWaalsContact O-N 3.12Å; T89-V91 VanDerWaalsContact C-N 3.26Å; T89-V91 PolarHBondContact O-N 3.49Å; V91-L172 HydrophobicContact CG2-CD1 4.22Å
92V92.9Very high82.5Confident35 Ų3563.8 Ų63.821%0.21238%0.379CS..Hα-helixtrans-93-28.2-170.8-58.60000113.4I88 F170 H189I88-V92 HydrophobicContact CD1-CG1 4.18Å; I88-V92 HydrophobicContact CG1-CG1 4.31Å; I88-V92 VanDerWaalsContact O-CG2 3.27Å; I88-V92 WeakPolarHBondContact O-CG2 3.45Å; I88-V92 PolarHBondContact O-N 2.98Å; V92-F170 HydrophobicContact CG1-CB 3.88Å; V92-F170 HydrophobicContact CG1-CD1 4.37Å; V92-F170 HydrophobicContact CG1-CD2 3.78Å; V92-F170 HydrophobicContact CG1-CE2 4.39Å; V92-F170 HydrophobicContact CG1-CG 3.77Å; V92-H189 VanDerWaalsContact CG2-CE1 3.41Å; V92-H189 WeakPolarHBondContact CG2-CE1 3.49Å
93T95.1Very high85.7Confident0 Ų061 Ų610%035%0.348CS..  trans-137.466.8-179.641.20000109.2T89 W95 H96 H189 M482 T483T89-T93 CarbonylContact O-C 3.59Å; T89-T93 WeakPolarHBondContact O-CA 3.26Å; T89-T93 PolarHBondContact O-N 2.94Å; T89-T93 VanDerWaalsContact O-O 3.06Å; T89-T93 PolarHBondContact O-OG1 3.12Å; T93-W95 PolarHBondContact O-N 3.48Å; T93-H96 VanDerWaalsContact O-CB 3.26Å; T93-H96 WeakPolarHBondContact O-CB 3.48Å; T93-H96 PolarHBondContact O-CD2 3.24Å; T93-H96 PolarHBondContact O-N 2.93Å; T93-H189 HydrophobicContact CG2-CB 4.02Å; T93-H189 WeakPolarHBondContact CG2-ND1 3.46Å; T93-M482 CarbonylContact C-O 3.56Å; T93-M482 VanDerWaalsContact CA-O 3.24Å; T93-M482 WeakPolarHBondContact CA-O 3.42Å; T93-M482 HydrophobicContact CG2-CB 3.84Å; T93-M482 HydrophobicContact CG2-SD 4.45Å; T93-T483 HydrophobicContact CG2-CG2 4.29Å
94P95.1Very high88.6Confident61 Ų6157.1 Ų57.140%0.39632%0.32SS..THydrogen-bonded Turntrans-60.1-11.9-171.723.8-35.4000114.9D90D90-P94 WeakPolarHBondContact O-CA 3.4Å; D90-P94 WeakPolarHBondContact O-CB 3.33Å
95W96.5Very high91.4Very high37 Ų3754.3 Ų54.314%0.1431%0.305CS..THydrogen-bonded Turntrans-112.629.9176.4-59.8-10.8000111.9T93 D97 V98 Q103 R106 K107 M482 T483 E484T93-W95 PolarHBondContact O-N 3.48Å; W95-D97 PolarHBondContact O-N 3.21Å; W95-V98 HydrophobicContact CB-CB 4.03Å; W95-V98 HydrophobicContact CB-CG2 3.89Å; W95-V98 HydrophobicContact CG-CG2 4.21Å; W95-V98 PolarHBondContact O-N 3.36Å; W95-Q103 HydrophobicContact CB-CG 4.3Å; W95-Q103 HydrophobicContact CE3-CB 3.97Å; W95-Q103 HydrophobicContact CE3-CG 3.95Å; W95-Q103 HydrophobicContact CZ3-CB 4.28Å; W95-Q103 PolarHBondContact O-NE2 2.97Å; W95-Q103 VanDerWaalsContact O-NE2 3.12Å; W95-R106 HydrophobicContact CH2-CB 3.87Å; W95-R106 HydrophobicContact CZ3-CB 4.19Å; W95-K107 HydrophobicContact CH2-CG 4.44Å; W95-K107 HydrophobicContact CZ3-CD 4.47Å; W95-K107 HydrophobicContact CZ3-CG 3.97Å; W95-M482 PolarHBondContact N-O 2.77Å; W95-T483 WeakPolarHBondContact CZ3-O 3.34Å; W95-E484 HydrophobicContact CH2-CB 3.82Å; W95-E484 HydrophobicContact CZ2-CB 3.69Å; W95-E484 HydrophobicContact CZ3-CB 4.46Å
96H94Very high93.5Very high41 Ų4153.1 Ų53.119%0.1928%0.283CS..THydrogen-bonded Turntrans-66.2-17.7-177.968.989000114.7D90 T93 K188 M482D90-H96 IonicContact OD1-CD2 2.65Å; D90-H96 IonicContact OD1-CE1 3.26Å; D90-H96 IonicContact OD1-NE2 3.08Å; D90-H96 PolarHBondContact OD1-NE2 3.38Å; T93-H96 VanDerWaalsContact O-CB 3.26Å; T93-H96 WeakPolarHBondContact O-CB 3.48Å; T93-H96 PolarHBondContact O-CD2 3.24Å; T93-H96 PolarHBondContact O-N 2.93Å; H96-K188 PolarHBondContact O-NZ 2.96Å; H96-K188 VanDerWaalsContact O-NZ 3.08Å; H96-M482 HydrophobicContact CB-CB 4.5Å; H96-M482 HydrophobicContact CB-SD 4.21Å
97D93Very high94.9Very high117 Ų11749.3 Ų49.363%0.62626%0.26SS*.THydrogen-bonded Turntrans-109.9-7179.764.7-23.1000113.2W95W95-D97 PolarHBondContact O-N 3.21Å
98V96.7Very high95.5Very high19 Ų1949 Ų4912%0.11525%0.253CS..SBendtrans-82129.5178.2-179.10000109.6W95 E102 Q103W95-V98 HydrophobicContact CB-CB 4.03Å; W95-V98 HydrophobicContact CB-CG2 3.89Å; W95-V98 HydrophobicContact CG-CG2 4.21Å; W95-V98 PolarHBondContact O-N 3.36Å; V98-E102 HydrophobicContact CG1-CB 3.93Å; V98-E102 HydrophobicContact CG1-CG 4.06Å; V98-Q103 HydrophobicContact CB-CG 4.01Å; V98-Q103 HydrophobicContact CG1-CG 3.79Å; V98-Q103 PolarHBondContact O-NE2 3Å
99P97.8Very high95.9Very high81 Ų8153.3 Ų53.353%0.52628%0.277SS..  trans-54.3139.9175.4-26.835.3000112.7E101 E102 Q103P99-E101 PolarHBondContact O-N 3.44Å; P99-E102 HydrophobicContact CB-CB 4.4Å; P99-E102 WeakPolarHBondContact O-CA 3.16Å; P99-E102 WeakPolarHBondContact O-CB 3.34Å; P99-E102 PolarHBondContact O-N 2.68Å; P99-Q103 PolarHBondContact O-N 3.04Å
100Y98.3Very high96.2Very high25 Ų2555.7 Ų55.710%0.09829%0.289CS..Hα-helixtrans-61.1-41.1-170-170.8-124.2000113.8E102 Q103 L104 P144 S145 Q148 D478 P481Y100-E102 PolarHBondContact O-N 2.85Å; Y100-Q103 HydrophobicContact CD2-CB 4.4Å; Y100-Q103 WeakPolarHBondContact O-CA 3.45Å; Y100-Q103 VanDerWaalsContact O-CB 3.3Å; Y100-Q103 WeakPolarHBondContact O-CB 3.46Å; Y100-Q103 PolarHBondContact O-N 3.31Å; Y100-L104 HydrophobicContact CD1-CD1 4.11Å; Y100-L104 HydrophobicContact CD1-CG 4.4Å; Y100-L104 HydrophobicContact CE1-CD1 3.84Å; Y100-L104 HydrophobicContact CE1-CD2 4.21Å; Y100-L104 HydrophobicContact CE1-CG 4.1Å; Y100-L104 HydrophobicContact CE2-CD2 4.28Å; Y100-L104 HydrophobicContact CE2-CG 4.43Å; Y100-L104 PolarHBondContact O-N 3.27Å; Y100-P144 HydrophobicContact CE1-CB 4.03Å; Y100-S145 PolarHBondContact OH-N 2.91Å; Y100-Q148 HydrophobicContact CD1-CG 4.07Å; Y100-Q148 HydrophobicContact CD2-CG 4.23Å; Y100-Q148 HydrophobicContact CE1-CG 3.96Å; Y100-Q148 HydrophobicContact CE2-CG 4.19Å; Y100-Q148 VanDerWaalsContact CG-CD 3.48Å; Y100-Q148 HydrophobicContact CG-CG 4.19Å; Y100-D478 WeakPolarHBondContact CE2-OD2 3.38Å; Y100-D478 PolarHBondContact OH-OD2 3.44Å; Y100-P481 HydrophobicContact CD2-CB 4.48Å; Y100-P481 HydrophobicContact CE2-CB 3.89Å; Y100-P481 HydrophobicContact CE2-CG 4.06Å
101E98.4Very high96.5Very high130 Ų13052.3 Ų52.361%0.60727%0.271SS*.Hα-helixtrans-58.8-37.4174.3-68.9-55.7139.400112.3P99 L104 N105P99-E101 PolarHBondContact O-N 3.44Å; E101-L104 PolarHBondContact O-N 3.3Å; E101-N105 WeakPolarHBondContact O-CB 3.45Å; E101-N105 VanDerWaalsContact O-CG 3.31Å; E101-N105 PolarHBondContact O-N 2.91Å; E101-N105 PolarHBondContact O-ND2 2.95Å
102E98.5Very high96.9Very high83 Ų8351.9 Ų51.939%0.38827%0.266SS..Hα-helixtrans-67.8-37.9174.5-169.1-177.5164.700111.5V98 P99 Y100 N105 R106V98-E102 HydrophobicContact CG1-CB 3.93Å; V98-E102 HydrophobicContact CG1-CG 4.06Å; P99-E102 HydrophobicContact CB-CB 4.4Å; P99-E102 WeakPolarHBondContact O-CA 3.16Å; P99-E102 WeakPolarHBondContact O-CB 3.34Å; P99-E102 PolarHBondContact O-N 2.68Å; Y100-E102 PolarHBondContact O-N 2.85Å; E102-N105 PolarHBondContact O-N 3.49Å; E102-R106 WeakPolarHBondContact O-CB 3.47Å; E102-R106 VanDerWaalsContact O-CG 3.26Å; E102-R106 WeakPolarHBondContact O-CG 3.46Å; E102-R106 PolarHBondContact O-N 2.83Å; E102-R106 IonicContact OE1-CZ 2.79Å; E102-R106 VanDerWaalsContact OE1-CZ 3.26Å; E102-R106 IonicContact OE1-NE 3.45Å; E102-R106 PolarHBondContact OE1-NE 2.76Å; E102-R106 VanDerWaalsContact OE1-NE 3.14Å; E102-R106 IonicContact OE1-NH2 2.79Å; E102-R106 PolarHBondContact OE1-NH2 3.01Å
103Q98.4Very high97.1Very high6 Ų653.1 Ų53.13%0.02828%0.28CS..Hα-helixtrans-60.8-45.1173.7-57.4179.631.300111.7W95 V98 P99 Y100 R106 K107W95-Q103 HydrophobicContact CB-CG 4.3Å; W95-Q103 HydrophobicContact CE3-CB 3.97Å; W95-Q103 HydrophobicContact CE3-CG 3.95Å; W95-Q103 HydrophobicContact CZ3-CB 4.28Å; W95-Q103 PolarHBondContact O-NE2 2.97Å; W95-Q103 VanDerWaalsContact O-NE2 3.12Å; V98-Q103 HydrophobicContact CB-CG 4.01Å; V98-Q103 HydrophobicContact CG1-CG 3.79Å; V98-Q103 PolarHBondContact O-NE2 3Å; P99-Q103 PolarHBondContact O-N 3.04Å; Y100-Q103 HydrophobicContact CD2-CB 4.4Å; Y100-Q103 WeakPolarHBondContact O-CA 3.45Å; Y100-Q103 VanDerWaalsContact O-CB 3.3Å; Y100-Q103 WeakPolarHBondContact O-CB 3.46Å; Y100-Q103 PolarHBondContact O-N 3.31Å; Q103-R106 PolarHBondContact O-N 3.5Å; Q103-K107 VanDerWaalsContact O-CG 3.31Å; Q103-K107 WeakPolarHBondContact O-CG 3.3Å; Q103-K107 PolarHBondContact O-N 2.76Å
104L98.7Very high97.1Very high11 Ų1154.2 Ų54.26%0.05829%0.285CS..Hα-helixtrans-60.9-46.1177.1-66.8178.2000111.1Y100 E101 R106 K107 Q108 I142 P144 D478Y100-L104 HydrophobicContact CD1-CD1 4.11Å; Y100-L104 HydrophobicContact CD1-CG 4.4Å; Y100-L104 HydrophobicContact CE1-CD1 3.84Å; Y100-L104 HydrophobicContact CE1-CD2 4.21Å; Y100-L104 HydrophobicContact CE1-CG 4.1Å; Y100-L104 HydrophobicContact CE2-CD2 4.28Å; Y100-L104 HydrophobicContact CE2-CG 4.43Å; Y100-L104 PolarHBondContact O-N 3.27Å; E101-L104 PolarHBondContact O-N 3.3Å; L104-R106 PolarHBondContact O-N 3.13Å; L104-K107 PolarHBondContact O-N 2.7Å; L104-Q108 WeakPolarHBondContact O-CB 3.32Å; L104-Q108 PolarHBondContact O-N 3.4Å; L104-I142 HydrophobicContact CB-CG2 3.95Å; L104-I142 HydrophobicContact CD2-CD1 4.1Å; L104-I142 HydrophobicContact CD2-CG1 4.27Å; L104-I142 HydrophobicContact CD2-CG2 4.12Å; L104-P144 HydrophobicContact CD1-CB 3.94Å; L104-P144 HydrophobicContact CD2-CB 4.37Å; L104-D478 HydrophobicContact CD2-CB 4Å
105N98.7Very high97.2Very high95 Ų9551.3 Ų51.351%0.50827%0.266SS..Hα-helixtrans-60.2-44.5176.3-74.5-37.5000112.3E101 E102 K107 Q108 N109E101-N105 WeakPolarHBondContact O-CB 3.45Å; E101-N105 VanDerWaalsContact O-CG 3.31Å; E101-N105 PolarHBondContact O-N 2.91Å; E101-N105 PolarHBondContact O-ND2 2.95Å; E102-N105 PolarHBondContact O-N 3.49Å; N105-K107 PolarHBondContact O-N 3.08Å; N105-Q108 PolarHBondContact O-N 3.3Å; N105-N109 WeakPolarHBondContact O-CB 3.38Å; N105-N109 VanDerWaalsContact O-CG 3.31Å; N105-N109 PolarHBondContact O-N 2.88Å; N105-N109 PolarHBondContact O-ND2 2.91Å
106R98.4Very high97.2Very high91 Ų9153.1 Ų53.134%0.34328%0.275SS..Hα-helixtrans-60.1-44.9175-71.5173-177.2-163.13.3111.2W95 E102 Q103 L104 N109 N110W95-R106 HydrophobicContact CH2-CB 3.87Å; W95-R106 HydrophobicContact CZ3-CB 4.19Å; E102-R106 WeakPolarHBondContact O-CB 3.47Å; E102-R106 VanDerWaalsContact O-CG 3.26Å; E102-R106 WeakPolarHBondContact O-CG 3.46Å; E102-R106 PolarHBondContact O-N 2.83Å; E102-R106 IonicContact OE1-CZ 2.79Å; E102-R106 VanDerWaalsContact OE1-CZ 3.26Å; E102-R106 IonicContact OE1-NE 3.45Å; E102-R106 PolarHBondContact OE1-NE 2.76Å; E102-R106 VanDerWaalsContact OE1-NE 3.14Å; E102-R106 IonicContact OE1-NH2 2.79Å; E102-R106 PolarHBondContact OE1-NH2 3.01Å; Q103-R106 PolarHBondContact O-N 3.5Å; L104-R106 PolarHBondContact O-N 3.13Å; R106-N109 PolarHBondContact O-N 2.79Å; R106-N110 WeakPolarHBondContact O-CB 3.31Å; R106-N110 PolarHBondContact O-N 2.91Å; R106-N110 PolarHBondContact O-ND2 2.88Å
107K98Very high97.2Very high0 Ų054.5 Ų54.50%029%0.289CS..Hα-helixtrans-64.5-42.4177.6-71.5170.9177.5-179.60112.2W95 Q103 L104 N105 N110 C111 I142 D478 F480 T483 H485 Y486W95-K107 HydrophobicContact CH2-CG 4.44Å; W95-K107 HydrophobicContact CZ3-CD 4.47Å; W95-K107 HydrophobicContact CZ3-CG 3.97Å; Q103-K107 VanDerWaalsContact O-CG 3.31Å; Q103-K107 WeakPolarHBondContact O-CG 3.3Å; Q103-K107 PolarHBondContact O-N 2.76Å; L104-K107 PolarHBondContact O-N 2.7Å; N105-K107 PolarHBondContact O-N 3.08Å; K107-N110 PolarHBondContact O-N 2.84Å; K107-C111 WeakPolarHBondContact O-CB 3.45Å; K107-C111 PolarHBondContact O-N 3.03Å; K107-I142 HydrophobicContact CB-CD1 3.42Å; K107-I142 VanDerWaalsContact CB-CD1 3.42Å; K107-I142 HydrophobicContact CD-CD1 3.95Å; K107-I142 HydrophobicContact CG-CD1 4.3Å; K107-D478 IonicContact NZ-OD1 2.85Å; K107-D478 PolarHBondContact NZ-OD1 3.49Å; K107-D478 IonicContact NZ-OD2 3.52Å; K107-D478 PolarHBondContact NZ-OD2 3.28Å; K107-D478 VanDerWaalsContact NZ-OD2 3.08Å; K107-F480 PolarHBondContact NZ-O 3.36Å; K107-T483 WeakPolarHBondContact CE-O 3.43Å; K107-T483 PolarHBondContact NZ-O 2.67Å; K107-T483 VanDerWaalsContact NZ-O 3.1Å; K107-H485 VanDerWaalsContact CE-O 3.24Å; K107-H485 WeakPolarHBondContact CE-O 3.28Å; K107-H485 PolarHBondContact NZ-O 2.9Å; K107-H485 VanDerWaalsContact NZ-O 3.12Å; K107-Y486 HydrophobicContact CB-CD1 3.91Å; K107-Y486 HydrophobicContact CB-CE1 4.24Å; K107-Y486 HydrophobicContact CD-CD1 4.28Å; K107-Y486 HydrophobicContact CG-CD1 3.84Å; K107-Y486 HydrophobicContact CG-CE1 4.44Å
108Q98.3Very high97.3Very high37 Ų3749 Ų4917%0.17326%0.26CS..Hα-helixtrans-59.5-49.9176-17566.631.900111.3L104 N105 N110 C111 L112 Q140 I142L104-Q108 WeakPolarHBondContact O-CB 3.32Å; L104-Q108 PolarHBondContact O-N 3.4Å; N105-Q108 PolarHBondContact O-N 3.3Å; Q108-N110 VanDerWaalsContact C-N 3.33Å; Q108-N110 PolarHBondContact O-N 3.34Å; Q108-C111 WeakPolarHBondContact O-CB 3.17Å; Q108-C111 PolarHBondContact O-N 2.87Å; Q108-C111 VanDerWaalsContact O-N 3.12Å; Q108-L112 PolarHBondContact O-N 3.14Å; Q108-Q140 PolarHBondContact NE2-O 3.14Å; Q108-I142 HydrophobicContact CB-CG2 4.3Å
109N98.1Very high97.3Very high102 Ų10248.1 Ų48.155%0.54525%0.254SS..Hα-helixtrans-63.2-40.3179.1-71.4-25.2000111.8N105 R106 C111 L112 A113N105-N109 WeakPolarHBondContact O-CB 3.38Å; N105-N109 VanDerWaalsContact O-CG 3.31Å; N105-N109 PolarHBondContact O-N 2.88Å; N105-N109 PolarHBondContact O-ND2 2.91Å; R106-N109 PolarHBondContact O-N 2.79Å; N109-C111 VanDerWaalsContact C-N 3.3Å; N109-C111 PolarHBondContact O-N 2.69Å; N109-L112 PolarHBondContact O-N 2.77Å; N109-A113 WeakPolarHBondContact O-CB 3.42Å; N109-A113 PolarHBondContact O-N 2.66Å
110N96.4Very high97.2Very high62 Ų6246.7 Ų46.733%0.33225%0.249SC..Hα-helixtrans-62.3-37.3174-73.5-18.6000112.2R106 K107 Q108 F114R106-N110 WeakPolarHBondContact O-CB 3.31Å; R106-N110 PolarHBondContact O-N 2.91Å; R106-N110 PolarHBondContact O-ND2 2.88Å; K107-N110 PolarHBondContact O-N 2.84Å; Q108-N110 VanDerWaalsContact C-N 3.33Å; Q108-N110 PolarHBondContact O-N 3.34Å; N110-F114 WeakPolarHBondContact O-CB 3.47Å; N110-F114 PolarHBondContact O-N 2.75Å; N110-F114 VanDerWaalsContact O-N 3.08Å
111C96.7Very high97Very high0 Ų049.5 Ų49.50%026%0.263CS..Hα-helixtrans-67.9-44.9176.1-172.60000111.8K107 Q108 N109 F114 L115 P476 Y486K107-C111 WeakPolarHBondContact O-CB 3.45Å; K107-C111 PolarHBondContact O-N 3.03Å; Q108-C111 WeakPolarHBondContact O-CB 3.17Å; Q108-C111 PolarHBondContact O-N 2.87Å; Q108-C111 VanDerWaalsContact O-N 3.12Å; N109-C111 VanDerWaalsContact C-N 3.3Å; N109-C111 PolarHBondContact O-N 2.69Å; C111-F114 WeakPolarHBondContact O-CB 3.43Å; C111-F114 PolarHBondContact O-N 3.2Å; C111-L115 WeakPolarHBondContact O-CG 3.46Å; C111-L115 PolarHBondContact O-N 2.86Å; C111-P476 HydrophobicContact CB-CB 4.38Å; C111-P476 HydrophobicContact CB-CG 4.3Å; C111-Y486 WeakPolarHBondContact CA-OH 3.44Å; C111-Y486 HydrophobicContact CB-CE2 4.05Å; C111-Y486 VanDerWaalsContact CB-OH 3.28Å; C111-Y486 WeakPolarHBondContact CB-OH 3.18Å; C111-Y486 PolarHBondContact N-OH 3.29Å
112L97.4Very high96.9Very high56 Ų5643.8 Ų43.829%0.29324%0.237SC..Hα-helixtrans-59.5-49.1175.9177.560.1000111.8Q108 N109 F114 L115 K116 L139Q108-L112 PolarHBondContact O-N 3.14Å; N109-L112 PolarHBondContact O-N 2.77Å; L112-F114 VanDerWaalsContact C-N 3.28Å; L112-F114 PolarHBondContact O-N 2.92Å; L112-L115 PolarHBondContact O-N 3.3Å; L112-K116 HydrophobicContact CD1-CG 4.47Å; L112-K116 WeakPolarHBondContact O-CG 3.17Å; L112-K116 PolarHBondContact O-N 3.4Å; L112-L139 HydrophobicContact CB-CD2 3.8Å; L112-L139 HydrophobicContact CD1-CD2 3.9Å; L112-L139 HydrophobicContact CG-CD2 4.42Å
113A96.5Very high96.7Very high62 Ų6241.1 Ų41.151%0.51223%0.227SC..Hα-helixtrans-59.8-40.417800000111.9N109 S117N109-A113 WeakPolarHBondContact O-CB 3.42Å; N109-A113 PolarHBondContact O-N 2.66Å; A113-S117 PolarHBondContact O-N 3.35Å
114F95.7Very high96.5Very high22 Ų2249.5 Ų49.510%0.09626%0.264CS..Hα-helixtrans-62.2-47.5174.7170.8-101.4000112.4N110 C111 L112 K116 S117 V118 R446 F453 L488N110-F114 WeakPolarHBondContact O-CB 3.47Å; N110-F114 PolarHBondContact O-N 2.75Å; N110-F114 VanDerWaalsContact O-N 3.08Å; C111-F114 WeakPolarHBondContact O-CB 3.43Å; C111-F114 PolarHBondContact O-N 3.2Å; L112-F114 VanDerWaalsContact C-N 3.28Å; L112-F114 PolarHBondContact O-N 2.92Å; F114-K116 VanDerWaalsContact C-N 3.34Å; F114-K116 PolarHBondContact O-N 2.94Å; F114-S117 WeakPolarHBondContact O-CB 3.24Å; F114-S117 PolarHBondContact O-N 3.27Å; F114-V118 HydrophobicContact CD2-CG2 4.09Å; F114-V118 HydrophobicContact CE1-CG2 3.97Å; F114-V118 HydrophobicContact CE2-CG2 3.5Å; F114-V118 HydrophobicContact CZ-CG2 3.44Å; F114-V118 VanDerWaalsContact CZ-CG2 3.44Å; F114-V118 PolarHBondContact O-N 3.04Å; F114-R446 HydrophobicContact CD1-CB 4.27Å; F114-R446 HydrophobicContact CD1-CG 4.43Å; F114-R446 HydrophobicContact CD2-CB 4.33Å; F114-R446 HydrophobicContact CD2-CG 4Å; F114-R446 HydrophobicContact CE1-CB 3.86Å; F114-R446 HydrophobicContact CE1-CG 4.45Å; F114-R446 HydrophobicContact CE2-CB 3.92Å; F114-R446 HydrophobicContact CE2-CG 4.01Å; F114-R446 WeakPolarHBondContact CE2-O 3.33Å; F114-R446 HydrophobicContact CG-CB 4.49Å; F114-R446 HydrophobicContact CG-CG 4.2Å; F114-R446 HydrophobicContact CZ-CB 3.66Å; F114-R446 HydrophobicContact CZ-CG 4.24Å; F114-R446 WeakPolarHBondContact CZ-O 3.33Å; F114-F453 HydrophobicContact CE1-CD2 4.34Å; F114-F453 HydrophobicContact CE1-CE2 4.1Å; F114-F453 AromaticContact CZ-CD2 3.98Å; F114-F453 HydrophobicContact CZ-CD2 3.98Å; F114-F453 AromaticContact CZ-CE2 3.78Å; F114-F453 HydrophobicContact CZ-CE2 3.78Å; F114-L488 HydrophobicContact CD1-CD2 3.96Å; F114-L488 HydrophobicContact CE1-CD2 3.74Å
115L96.1Very high96.2Very high1 Ų150 Ų501%0.00527%0.267CS..Hα-helixtrans-63.3-38.3-179.9-74.7177.8000112.5C111 L112 V118 S119 H135 L139 L471 A474 L490C111-L115 WeakPolarHBondContact O-CG 3.46Å; C111-L115 PolarHBondContact O-N 2.86Å; L112-L115 PolarHBondContact O-N 3.3Å; L115-V118 PolarHBondContact O-N 3.36Å; L115-S119 WeakPolarHBondContact O-CB 3.3Å; L115-S119 PolarHBondContact O-N 3.36Å; L115-S119 PolarHBondContact O-OG 2.83Å; L115-H135 HydrophobicContact CB-CB 4.09Å; L115-L139 HydrophobicContact CD1-CB 3.92Å; L115-L139 HydrophobicContact CD1-CD1 3.78Å; L115-L139 HydrophobicContact CD1-CD2 4.15Å; L115-L139 HydrophobicContact CD1-CG 4.15Å; L115-L471 HydrophobicContact CD2-CD2 4.12Å; L115-A474 HydrophobicContact CD1-CB 3.55Å; L115-A474 HydrophobicContact CD2-CB 4.1Å; L115-A474 HydrophobicContact CG-CB 4.44Å; L115-L490 HydrophobicContact CD2-CD2 4.14Å
116K96.6Very high95.7Very high75 Ų7546.1 Ų46.133%0.32625%0.25SC..Hα-helixtrans-60.2-46.8173.5-70.3-174.8178.1-163.40111.5L112 F114 S119 A120 E134 H135L112-K116 HydrophobicContact CD1-CG 4.47Å; L112-K116 WeakPolarHBondContact O-CG 3.17Å; L112-K116 PolarHBondContact O-N 3.4Å; F114-K116 VanDerWaalsContact C-N 3.34Å; F114-K116 PolarHBondContact O-N 2.94Å; K116-S119 PolarHBondContact O-N 3.27Å; K116-A120 PolarHBondContact O-N 3.32Å; K116-A120 VanDerWaalsContact O-N 3.08Å; K116-E134 HydrophobicContact CD-CB 4.17Å; K116-E134 WeakPolarHBondContact CD-OE2 3.32Å; K116-E134 VanDerWaalsContact CE-OE2 3.25Å; K116-E134 WeakPolarHBondContact CE-OE2 3.34Å; K116-E134 HydrophobicContact CG-CB 4.19Å; K116-E134 IonicContact NZ-OE2 3.62Å; K116-E134 PolarHBondContact NZ-OE2 2.91Å; K116-H135 HydrophobicContact CG-CB 4.35Å
117S95.3Very high95.2Very high69 Ų6948 Ų4848%0.48327%0.267SS..Hα-helixtrans-59.9-51.5177.1-172.60000111.9A113 F114 S119 A120 E121A113-S117 PolarHBondContact O-N 3.35Å; F114-S117 WeakPolarHBondContact O-CB 3.24Å; F114-S117 PolarHBondContact O-N 3.27Å; S117-S119 VanDerWaalsContact C-N 3.3Å; S117-S119 PolarHBondContact O-N 2.98Å; S117-A120 PolarHBondContact O-N 2.92Å; S117-E121 PolarHBondContact O-N 3.36Å
118V94.8Very high94.7Very high3 Ų353 Ų532%0.01829%0.29CS..Hα-helixtrans-65.2-35.5-179.5169.70000111.5F114 L115 A120 E121 I122 F453 V454F114-V118 HydrophobicContact CD2-CG2 4.09Å; F114-V118 HydrophobicContact CE1-CG2 3.97Å; F114-V118 HydrophobicContact CE2-CG2 3.5Å; F114-V118 HydrophobicContact CZ-CG2 3.44Å; F114-V118 VanDerWaalsContact CZ-CG2 3.44Å; F114-V118 PolarHBondContact O-N 3.04Å; L115-V118 PolarHBondContact O-N 3.36Å; V118-A120 VanDerWaalsContact C-N 3.35Å; V118-A120 PolarHBondContact O-N 2.84Å; V118-E121 WeakPolarHBondContact O-CB 3.35Å; V118-E121 PolarHBondContact O-N 3.2Å; V118-I122 HydrophobicContact CG1-CD1 3.75Å; V118-I122 HydrophobicContact CG1-CG1 4.19Å; V118-I122 WeakPolarHBondContact O-CG1 3.47Å; V118-I122 PolarHBondContact O-N 2.85Å; V118-F453 HydrophobicContact CG1-CB 4.23Å; V118-V454 HydrophobicContact CG1-CG2 4.24Å
119S96.3Very high94.3Very high0 Ų056.7 Ų56.70%032%0.318CS..Hα-helixtrans-67.9-34.4178.4-61.50000112.7L115 K116 S117 E121 I122 S123 H135 Y136L115-S119 WeakPolarHBondContact O-CB 3.3Å; L115-S119 PolarHBondContact O-N 3.36Å; L115-S119 PolarHBondContact O-OG 2.83Å; K116-S119 PolarHBondContact O-N 3.27Å; S117-S119 VanDerWaalsContact C-N 3.3Å; S117-S119 PolarHBondContact O-N 2.98Å; S119-E121 VanDerWaalsContact C-N 3.32Å; S119-I122 PolarHBondContact O-N 3.21Å; S119-S123 WeakPolarHBondContact O-CB 3.44Å; S119-S123 PolarHBondContact O-N 2.77Å; S119-H135 VanDerWaalsContact OG-CA 3.29Å; S119-H135 WeakPolarHBondContact OG-CA 3.44Å; S119-H135 WeakPolarHBondContact OG-CB 3.42Å; S119-Y136 WeakPolarHBondContact O-CE2 3.44Å; S119-Y136 PolarHBondContact OG-N 2.9Å
120A95.2Very high93.9Very high50 Ų5055.1 Ų55.141%0.41331%0.308SS..Hα-helixtrans-62.3-41.3171.700000111.7K116 S117 V118 F124 I130K116-A120 PolarHBondContact O-N 3.32Å; K116-A120 VanDerWaalsContact O-N 3.08Å; S117-A120 PolarHBondContact O-N 2.92Å; V118-A120 VanDerWaalsContact C-N 3.35Å; V118-A120 PolarHBondContact O-N 2.84Å; A120-F124 PolarHBondContact O-N 3.46Å; A120-F124 VanDerWaalsContact O-N 3.11Å; A120-I130 HydrophobicContact CB-CD1 4.14Å
121E95.4Very high93.7Very high85 Ų8554.5 Ų54.540%0.39731%0.308SS..Hα-helixtrans-66.5-44.4174.2-65.4-178.6-113.300111.9S117 V118 S119 S123 F124 V125 V454S117-E121 PolarHBondContact O-N 3.36Å; V118-E121 WeakPolarHBondContact O-CB 3.35Å; V118-E121 PolarHBondContact O-N 3.2Å; S119-E121 VanDerWaalsContact C-N 3.32Å; E121-S123 VanDerWaalsContact C-N 3.33Å; E121-S123 PolarHBondContact O-N 2.92Å; E121-F124 PolarHBondContact O-N 2.79Å; E121-V125 WeakPolarHBondContact O-CG1 3.36Å; E121-V125 WeakPolarHBondContact O-CG2 3.37Å; E121-V125 PolarHBondContact O-N 2.82Å; E121-V454 HydrophobicContact CB-CG1 4.28Å; E121-V454 HydrophobicContact CB-CG2 3.63Å
122I95.4Very high93.4Very high10 Ų1059.8 Ų59.85%0.05135%0.351CS..Hα-helixtrans-58.2-45.8175.6-71.2170.1000110.6V118 S119 F124 V125 G126 Y136 V454 C457V118-I122 HydrophobicContact CG1-CD1 3.75Å; V118-I122 HydrophobicContact CG1-CG1 4.19Å; V118-I122 WeakPolarHBondContact O-CG1 3.47Å; V118-I122 PolarHBondContact O-N 2.85Å; S119-I122 PolarHBondContact O-N 3.21Å; I122-F124 VanDerWaalsContact C-N 3.33Å; I122-F124 PolarHBondContact O-N 3.16Å; I122-V125 WeakPolarHBondContact O-CG2 3.15Å; I122-V125 PolarHBondContact O-N 3.42Å; I122-G126 WeakPolarHBondContact O-CA 3.46Å; I122-G126 PolarHBondContact O-N 3.49Å; I122-Y136 HydrophobicContact CB-CD2 4.01Å; I122-Y136 HydrophobicContact CB-CE2 3.95Å; I122-Y136 HydrophobicContact CG2-CD2 3.72Å; I122-Y136 HydrophobicContact CG2-CE2 3.58Å; I122-V454 HydrophobicContact CG1-CG2 4.22Å; I122-C457 HydrophobicContact CB-CB 4.44Å; I122-C457 HydrophobicContact CD1-CB 4.35Å; I122-C457 HydrophobicContact CG1-CB 4.06Å; I122-C457 HydrophobicContact CG2-CB 3.65Å
123S94.8Very high93.1Very high26 Ų2660.1 Ų60.118%0.18236%0.358CS..Hα-helixtrans-58.3-45.8177.7173.60000111.6S119 E121 V125 N127 E128 I130S119-S123 WeakPolarHBondContact O-CB 3.44Å; S119-S123 PolarHBondContact O-N 2.77Å; E121-S123 VanDerWaalsContact C-N 3.33Å; E121-S123 PolarHBondContact O-N 2.92Å; S123-V125 PolarHBondContact O-N 2.97Å; S123-N127 WeakPolarHBondContact O-CA 3.37Å; S123-N127 PolarHBondContact O-N 2.87Å; S123-E128 WeakPolarHBondContact CA-O 3.27Å; S123-E128 VanDerWaalsContact CB-O 3.26Å; S123-E128 WeakPolarHBondContact CB-O 3.46Å; S123-E128 PolarHBondContact O-N 3.39Å; S123-E128 PolarHBondContact OG-O 2.84Å; S123-I130 VanDerWaalsContact CB-CG1 3.41Å
124F94.1Very high93Very high183 Ų18362.2 Ų62.280%0.80336%0.358SS*.Hα-helixtrans-61.1-41.5177.5179.9-101.9000112.7A120 E121 I122A120-F124 PolarHBondContact O-N 3.46Å; A120-F124 VanDerWaalsContact O-N 3.11Å; E121-F124 PolarHBondContact O-N 2.79Å; I122-F124 VanDerWaalsContact C-N 3.33Å; I122-F124 PolarHBondContact O-N 3.16Å
125V92.6Very high93Very high20 Ų2062 Ų6212%0.12136%0.357CS..Hα-helixtrans-89-24.1-175.6-54.80000114.6E121 I122 S123 V454 R458 R459E121-V125 WeakPolarHBondContact O-CG1 3.36Å; E121-V125 WeakPolarHBondContact O-CG2 3.37Å; E121-V125 PolarHBondContact O-N 2.82Å; I122-V125 WeakPolarHBondContact O-CG2 3.15Å; I122-V125 PolarHBondContact O-N 3.42Å; S123-V125 PolarHBondContact O-N 2.97Å; V125-V454 HydrophobicContact CB-CG1 4.32Å; V125-V454 HydrophobicContact CG1-CG1 3.86Å; V125-V454 HydrophobicContact CG2-CG1 3.55Å; V125-R458 HydrophobicContact CB-CB 4.4Å; V125-R458 HydrophobicContact CB-CG 4.11Å; V125-R458 HydrophobicContact CG2-CB 4.1Å; V125-R458 HydrophobicContact CG2-CG 4.37Å; V125-R459 PolarHBondContact O-N 3.18Å
126G88.5Confident93Very high15 Ų1563.3 Ų63.316%0.15536%0.362CS..Hα-helixtrans-86.9-23175.700000112.5I122 E128I122-G126 WeakPolarHBondContact O-CA 3.46Å; I122-G126 PolarHBondContact O-N 3.49Å; G126-E128 VanDerWaalsContact C-N 3.26Å
127N87.4Confident92.9Very high131 Ų13160.9 Ų60.970%0.70136%0.358SS*.THydrogen-bonded Turntrans58.239.6-169.5-166.665.5000112.1S123S123-N127 WeakPolarHBondContact O-CA 3.37Å; S123-N127 PolarHBondContact O-N 2.87Å
128E86.4Confident93Very high103 Ų10362.9 Ų62.948%0.48136%0.362SS..  trans-113.5141.1174.7-67.7-172.317400109.5S123 G126 Y136S123-E128 WeakPolarHBondContact CA-O 3.27Å; S123-E128 VanDerWaalsContact CB-O 3.26Å; S123-E128 WeakPolarHBondContact CB-O 3.46Å; S123-E128 PolarHBondContact O-N 3.39Å; S123-E128 PolarHBondContact OG-O 2.84Å; G126-E128 VanDerWaalsContact C-N 3.26Å; E128-Y136 PolarHBondContact O-OH 2.81Å
129P90.7Very high93.1Very high116 Ų11664.3 Ų64.375%0.75337%0.369SS*.PPolyproline II helixtrans-70.3138.6178.828.9-33.6000111.3Y136P129-Y136 PolarHBondContact O-OH 2.78Å; P129-Y136 VanDerWaalsContact O-OH 3.11Å
130I90.6Very high93.2Very high68 Ų6866.1 Ų66.135%0.34938%0.378SS..PPolyproline II helixtrans-64.5134.6173.6-56.2175.7000108.8A120 S123 E134A120-I130 HydrophobicContact CB-CD1 4.14Å; S123-I130 VanDerWaalsContact CB-CG1 3.41Å; I130-E134 VanDerWaalsContact CG2-C 3.48Å
131P91Very high93.3Very high50 Ų5067.2 Ų67.233%0.32539%0.387SS..PPolyproline II helixtrans-65.6165.4175.428.6-37.3000112.2S133 E134 H135 Y136P131-S133 WeakPolarHBondContact CG-OG 3.42Å; P131-S133 PolarHBondContact O-N 3.16Å; P131-S133 VanDerWaalsContact O-N 3.1Å; P131-E134 WeakPolarHBondContact O-CA 3.11Å; P131-E134 PolarHBondContact O-N 3Å; P131-H135 WeakPolarHBondContact CG-O 3.41Å; P131-Y136 HydrophobicContact CG-CD1 4.27Å
132A91.5Very high93.5Very high110 Ų11064.1 Ų64.191%0.90937%0.373SS*.THydrogen-bonded Turntrans-60.2-21.417800000114E134A132-E134 PolarHBondContact O-N 2.69Å
133S90.7Very high93.6Very high63 Ų6367.6 Ų67.644%0.44139%0.385SS..THydrogen-bonded Turntrans-68.5-6170.850.10000113.9P131 H135P131-S133 WeakPolarHBondContact CG-OG 3.42Å; P131-S133 PolarHBondContact O-N 3.16Å; P131-S133 VanDerWaalsContact O-N 3.1Å; S133-H135 PolarHBondContact O-CD2 3.47Å; S133-H135 PolarHBondContact O-N 2.97Å; S133-H135 VanDerWaalsContact O-N 3.13Å; S133-H135 PolarHBondContact OG-O 2.92Å
134E93.5Very high93.8Very high107 Ų10769.4 Ų69.450%0.540%0.396SS..SBendtrans64.15.3-174.5-56.1177.4-179.300114.7K116 I130 P131 A132K116-E134 HydrophobicContact CD-CB 4.17Å; K116-E134 WeakPolarHBondContact CD-OE2 3.32Å; K116-E134 VanDerWaalsContact CE-OE2 3.25Å; K116-E134 WeakPolarHBondContact CE-OE2 3.34Å; K116-E134 HydrophobicContact CG-CB 4.19Å; K116-E134 IonicContact NZ-OE2 3.62Å; K116-E134 PolarHBondContact NZ-OE2 2.91Å; I130-E134 VanDerWaalsContact CG2-C 3.48Å; P131-E134 WeakPolarHBondContact O-CA 3.11Å; P131-E134 PolarHBondContact O-N 3Å; A132-E134 PolarHBondContact O-N 2.69Å
135H96.4Very high94Very high18 Ų1860.9 Ų60.98%0.08336%0.36CS..SBendtrans-148.6149174.669.581.6000112.6L115 K116 S119 P131 S133 G137L115-H135 HydrophobicContact CB-CB 4.09Å; K116-H135 HydrophobicContact CG-CB 4.35Å; S119-H135 VanDerWaalsContact OG-CA 3.29Å; S119-H135 WeakPolarHBondContact OG-CA 3.44Å; S119-H135 WeakPolarHBondContact OG-CB 3.42Å; P131-H135 WeakPolarHBondContact CG-O 3.41Å; S133-H135 PolarHBondContact O-CD2 3.47Å; S133-H135 PolarHBondContact O-N 2.97Å; S133-H135 VanDerWaalsContact O-N 3.13Å; S133-H135 PolarHBondContact OG-O 2.92Å; H135-G137 PolarHBondContact CE1-O 3.1Å; H135-G137 PolarHBondContact ND1-O 2.84Å; H135-G137 VanDerWaalsContact ND1-O 3.11Å
136Y95.3Very high94.3Very high28 Ų2864.1 Ų64.111%0.1138%0.381CS..SBendtrans-74150.9172.1-65.4-66.3000111.5S119 I122 E128 P129 P131S119-Y136 WeakPolarHBondContact O-CE2 3.44Å; S119-Y136 PolarHBondContact OG-N 2.9Å; I122-Y136 HydrophobicContact CB-CD2 4.01Å; I122-Y136 HydrophobicContact CB-CE2 3.95Å; I122-Y136 HydrophobicContact CG2-CD2 3.72Å; I122-Y136 HydrophobicContact CG2-CE2 3.58Å; E128-Y136 PolarHBondContact O-OH 2.81Å; P129-Y136 PolarHBondContact O-OH 2.78Å; P129-Y136 VanDerWaalsContact O-OH 3.11Å; P131-Y136 HydrophobicContact CG-CD1 4.27Å
137G95.1Very high94.7Very high23 Ų2367.8 Ų67.824%0.23739%0.392CS..SBendtrans69.3164.2-179.700000114.6H135 L471 K472H135-G137 PolarHBondContact CE1-O 3.1Å; H135-G137 PolarHBondContact ND1-O 2.84Å; H135-G137 VanDerWaalsContact ND1-O 3.11Å; G137-L471 WeakPolarHBondContact CA-O 3.5Å; G137-L471 PolarHBondContact N-O 3.16Å; G137-K472 CarbonylContact C-O 3.46Å; G137-K472 WeakPolarHBondContact CA-O 3.33Å
138I96.6Very high95.1Very high112 Ų11265.7 Ų65.757%0.57438%0.379SS*.EExtended strand (participates in β ladder)trans-86116177-59169000108.5Q140 K472 N473 A474I138-Q140 PolarHBondContact O-N 2.85Å; I138-K472 PolarHBondContact N-O 2.98Å; I138-N473 WeakPolarHBondContact O-CA 3.25Å; I138-A474 PolarHBondContact O-N 3.07Å
139L97.6Very high95.6Very high33 Ų3366.1 Ų66.117%0.17338%0.38CS..EExtended strand (participates in β ladder)trans-80.2113.1169.3173.959.6000109.2L112 L115 A474 P476L112-L139 HydrophobicContact CB-CD2 3.8Å; L112-L139 HydrophobicContact CD1-CD2 3.9Å; L112-L139 HydrophobicContact CG-CD2 4.42Å; L115-L139 HydrophobicContact CD1-CB 3.92Å; L115-L139 HydrophobicContact CD1-CD1 3.78Å; L115-L139 HydrophobicContact CD1-CD2 4.15Å; L115-L139 HydrophobicContact CD1-CG 4.15Å; L139-A474 WeakPolarHBondContact CA-O 3.43Å; L139-A474 HydrophobicContact CD1-CB 4.22Å; L139-P476 HydrophobicContact CD1-CG 4.14Å
140Q98.2Very high95.8Very high38 Ų3862.2 Ų62.218%0.17836%0.356CS..PPolyproline II helixtrans-80.1165.2171.6-62.5-167.87.200111.5Q108 I138 E330 A474 I475Q108-Q140 PolarHBondContact NE2-O 3.14Å; I138-Q140 PolarHBondContact O-N 2.85Å; Q140-E330 PolarHBondContact NE2-OE1 3.25Å; Q140-E330 VanDerWaalsContact NE2-OE1 3.09Å; Q140-A474 PolarHBondContact N-O 3.37Å; Q140-I475 HydrophobicContact CB-CG1 4.13Å; Q140-I475 HydrophobicContact CB-CG2 4.44Å; Q140-I475 HydrophobicContact CG-CD1 4.46Å; Q140-I475 HydrophobicContact CG-CG1 3.99Å
141A98.4Very high96.1Very high72 Ų7259.2 Ų59.260%0.59534%0.34SS*.PPolyproline II helixtrans-65.4143.7171.200000111.2R143A141-R143 PolarHBondContact O-N 3.18Å
142I98.6Very high96.4Very high21 Ų2159.6 Ų59.611%0.10834%0.335CS..PPolyproline II helixtrans-58.1130.1176.8-173.5164.7000110.9L104 K107 Q108 P476 D478L104-I142 HydrophobicContact CB-CG2 3.95Å; L104-I142 HydrophobicContact CD2-CD1 4.1Å; L104-I142 HydrophobicContact CD2-CG1 4.27Å; L104-I142 HydrophobicContact CD2-CG2 4.12Å; K107-I142 HydrophobicContact CB-CD1 3.42Å; K107-I142 VanDerWaalsContact CB-CD1 3.42Å; K107-I142 HydrophobicContact CD-CD1 3.95Å; K107-I142 HydrophobicContact CG-CD1 4.3Å; Q108-I142 HydrophobicContact CB-CG2 4.3Å; I142-P476 CarbonylContact C-O 3.54Å; I142-P476 VanDerWaalsContact CA-O 3.29Å; I142-P476 WeakPolarHBondContact CA-O 3.23Å; I142-P476 HydrophobicContact CB-CB 4.16Å; I142-P476 HydrophobicContact CB-CG 3.88Å; I142-P476 HydrophobicContact CD1-CB 4.25Å; I142-P476 HydrophobicContact CG1-CB 4Å; I142-P476 HydrophobicContact CG1-CG 4.29Å; I142-D478 HydrophobicContact CD1-CB 4.2Å; I142-D478 HydrophobicContact CG1-CB 4.5Å
143R98.6Very high96.6Very high82 Ų8254.6 Ų54.631%0.30929%0.293SS..BIsolated β-bridgetrans-84.1122.3176-51.8-59.9-175.21359109A141 V323 E330 I475 P476 V477 D478A141-R143 PolarHBondContact O-N 3.18Å; R143-V323 HydrophobicContact CB-CG1 3.52Å; R143-V323 HydrophobicContact CG-CG1 4.36Å; R143-E330 IonicContact CZ-OE2 3.89Å; R143-E330 IonicContact NH2-OE1 3.65Å; R143-E330 IonicContact NH2-OE2 2.96Å; R143-E330 PolarHBondContact NH2-OE2 2.96Å; R143-I475 HydrophobicContact CG-CG2 3.86Å; R143-P476 PolarHBondContact N-O 3.44Å; R143-V477 HydrophobicContact CB-CG1 4.36Å; R143-V477 HydrophobicContact CB-CG2 4.19Å; R143-V477 HydrophobicContact CG-CG2 4.25Å; R143-D478 PolarHBondContact O-N 3.34Å
144P98.6Very high96.9Very high65 Ų6554 Ų5442%0.42228%0.283SS..PPolyproline II helixtrans-74155.5-176.630.2-35.5000112.4Y100 L104Y100-P144 HydrophobicContact CE1-CB 4.03Å; L104-P144 HydrophobicContact CD1-CB 3.94Å; L104-P144 HydrophobicContact CD2-CB 4.37Å
145S98.2Very high97Very high4 Ų449.1 Ų49.13%0.02826%0.26CS..PPolyproline II helixtrans-74.7126.9169.1-176.20000109.7Y100 K147 N317 D478Y100-S145 PolarHBondContact OH-N 2.91Å; S145-K147 PolarHBondContact O-N 3.18Å; S145-K147 PolarHBondContact OG-N 3.21Å; S145-K147 PolarHBondContact OG-O 3.41Å; S145-N317 PolarHBondContact OG-ND2 3.31Å; S145-D478 VanDerWaalsContact CB-O 3.3Å; S145-D478 WeakPolarHBondContact CB-O 3.41Å
146P97.8Very high97Very high88 Ų8852.9 Ų52.957%0.57128%0.278SS*.SBendtrans-65.4-19.4173-18.931.8000112.8K319 V323P146-K319 HydrophobicContact CB-CB 4.25Å; P146-K319 HydrophobicContact CG-CB 4.37Å; P146-V323 HydrophobicContact CG-CG2 3.56Å
147K96.6Very high97.1Very high91 Ų9151.6 Ų51.640%0.39627%0.273SS..  trans-126.4111-179.4-167.9176.7-172.1-168.60110.2S145 E149 S150 K319S145-K147 PolarHBondContact O-N 3.18Å; S145-K147 PolarHBondContact OG-N 3.21Å; S145-K147 PolarHBondContact OG-O 3.41Å; K147-E149 VanDerWaalsContact CE-O 3.28Å; K147-E149 WeakPolarHBondContact CE-O 3.44Å; K147-E149 WeakPolarHBondContact CG-O 3.25Å; K147-S150 WeakPolarHBondContact CE-O 3.27Å; K147-S150 PolarHBondContact NZ-O 2.84Å; K147-K319 HydrophobicContact CB-CB 3.96Å; K147-K319 HydrophobicContact CB-CG 4.3Å
148Q96.7Very high97.2Very high88 Ų8851.4 Ų51.441%0.41127%0.268SS..  trans-91.9-33.3-175-63.7172.73400113.1Y100 Y151 P481 M482Y100-Q148 HydrophobicContact CD1-CG 4.07Å; Y100-Q148 HydrophobicContact CD2-CG 4.23Å; Y100-Q148 HydrophobicContact CE1-CG 3.96Å; Y100-Q148 HydrophobicContact CE2-CG 4.19Å; Y100-Q148 VanDerWaalsContact CG-CD 3.48Å; Y100-Q148 HydrophobicContact CG-CG 4.19Å; Q148-Y151 VanDerWaalsContact O-CD1 3.26Å; Q148-Y151 WeakPolarHBondContact O-CD1 3.21Å; Q148-P481 HydrophobicContact CB-CB 4.25Å; Q148-M482 WeakPolarHBondContact O-CE 3.4Å
149E96.2Very high97.1Very high111 Ų11146.4 Ų46.452%0.51924%0.242SC..SBendtrans-115.7157.4178.6-62.7-170.9175.200111.5K147 Y151 K188 M482K147-E149 VanDerWaalsContact CE-O 3.28Å; K147-E149 WeakPolarHBondContact CE-O 3.44Å; K147-E149 WeakPolarHBondContact CG-O 3.25Å; E149-Y151 PolarHBondContact O-N 3.05Å; E149-K188 HydrophobicContact CG-CB 4.43Å; E149-M482 HydrophobicContact CG-CE 4.16Å
150S95.6Very high96.9Very high34 Ų3445 Ų4524%0.23824%0.237CC..SBendtrans49.233178.6-64.80000113.1K147 K188K147-S150 WeakPolarHBondContact CE-O 3.27Å; K147-S150 PolarHBondContact NZ-O 2.84Å; S150-K188 PolarHBondContact N-O 3.12Å
151Y96.4Very high96.6Very high6 Ų647.7 Ų47.72%0.02425%0.246CC..  trans-84.5-23.4-175.966.4-100000112Q148 E149 N153 H189 N317 P481 M482Q148-Y151 VanDerWaalsContact O-CD1 3.26Å; Q148-Y151 WeakPolarHBondContact O-CD1 3.21Å; E149-Y151 PolarHBondContact O-N 3.05Å; Y151-N153 PolarHBondContact O-N 3.08Å; Y151-H189 HydrophobicContact CD1-CB 4.3Å; Y151-H189 HydrophobicContact CE1-CB 3.63Å; Y151-H189 PolarHBondContact N-O 3.22Å; Y151-N317 HydrophobicContact CD2-CB 3.66Å; Y151-N317 HydrophobicContact CE2-CB 4.4Å; Y151-N317 HydrophobicContact CG-CB 4.38Å; Y151-P481 HydrophobicContact CD1-CG 4.45Å; Y151-P481 HydrophobicContact CE1-CB 4.19Å; Y151-P481 HydrophobicContact CE1-CG 4.31Å; Y151-P481 PolarHBondContact OH-O 3.47Å; Y151-M482 HydrophobicContact CE1-CE 4.35Å
152R96.9Very high96.1Very high58 Ų5846 Ų4622%0.21923%0.227CC..BIsolated β-bridgetrans-81.299.9-166.9-161.2169.2-178.3112.51.1112.1K154 C155 H189 P191 M194 V316R152-K154 WeakPolarHBondContact CG-O 3.36Å; R152-K154 PolarHBondContact NE-O 3.23Å; R152-C155 WeakPolarHBondContact CD-SG 3.3Å; R152-C155 VanDerWaalsContact CG-SG 3.59Å; R152-H189 VanDerWaalsContact CB-O 3.23Å; R152-H189 WeakPolarHBondContact CB-O 3.46Å; R152-H189 PolarHBondContact N-O 3.31Å; R152-H189 VanDerWaalsContact N-O 3.16Å; R152-P191 WeakPolarHBondContact O-CD 3.45Å; R152-M194 VanDerWaalsContact O-CE 3.31Å; R152-M194 WeakPolarHBondContact O-CE 3.34Å; R152-V316 CarbonylContact C-O 3.57Å; R152-V316 VanDerWaalsContact CA-O 3.27Å; R152-V316 WeakPolarHBondContact CA-O 3.27Å; R152-V316 HydrophobicContact CG-CB 4.09Å; R152-V316 HydrophobicContact CG-CG2 4.27Å
153N96Very high95.4Very high5 Ų552.1 Ų52.13%0.02726%0.26CS..  trans-79.1-14.9-179.367.426.5000113.6Y151 M194 R228 C229 Y230 Q315 V316 T318Y151-N153 PolarHBondContact O-N 3.08Å; N153-M194 WeakPolarHBondContact O-CE 3.12Å; N153-R228 CarbonylContact O-C 3.53Å; N153-R228 VanDerWaalsContact O-CA 3.24Å; N153-R228 WeakPolarHBondContact O-CA 3.42Å; N153-C229 VanDerWaalsContact CB-O 3.28Å; N153-C229 WeakPolarHBondContact CB-O 3.36Å; N153-C229 PolarHBondContact O-N 3.05Å; N153-Y230 HydrophobicContact CB-CD1 3.92Å; N153-Y230 HydrophobicContact CB-CE1 3.82Å; N153-Q315 PolarHBondContact ND2-O 3.43Å; N153-Q315 PolarHBondContact OD1-O 2.88Å; N153-V316 VanDerWaalsContact CG-O 3.24Å; N153-V316 PolarHBondContact N-O 2.88Å; N153-V316 PolarHBondContact ND2-O 3.14Å; N153-V316 VanDerWaalsContact OD1-CA 3.23Å; N153-V316 WeakPolarHBondContact OD1-CA 3.34Å; N153-V316 PolarHBondContact OD1-O 2.71Å; N153-T318 PolarHBondContact ND2-OG1 3.07Å
154K96.8Very high94.8Very high51 Ų5151.4 Ų51.422%0.22228%0.278CS..EExtended strand (participates in β ladder)trans-130.3127.9173.8-179-168.6170.5-164.20111.8R152 E156 V227 R228 V316R152-K154 WeakPolarHBondContact CG-O 3.36Å; R152-K154 PolarHBondContact NE-O 3.23Å; K154-E156 VanDerWaalsContact CE-OE1 3.29Å; K154-E156 WeakPolarHBondContact CE-OE1 3.46Å; K154-E156 IonicContact NZ-OE1 2.8Å; K154-E156 PolarHBondContact NZ-OE1 3.18Å; K154-V227 WeakPolarHBondContact CA-O 3.47Å; K154-R228 HydrophobicContact CB-CG 4.29Å; K154-R228 HydrophobicContact CG-CG 4.03Å; K154-V316 HydrophobicContact CB-CG1 4.17Å
155C97.3Very high94.3Very high3 Ų350.7 Ų50.72%0.0227%0.274CS..EExtended strand (participates in β ladder)trans-137.1153.2169.7-67.80000112.9R152 F157 I190 M194 T226 V227R152-C155 WeakPolarHBondContact CD-SG 3.3Å; R152-C155 VanDerWaalsContact CG-SG 3.59Å; C155-F157 HydrophobicContact CB-CD1 4.47Å; C155-F157 HydrophobicContact CB-CD2 4.33Å; C155-F157 HydrophobicContact CB-CE1 3.76Å; C155-F157 HydrophobicContact CB-CE2 3.59Å; C155-F157 HydrophobicContact CB-CZ 3.28Å; C155-I190 HydrophobicContact CB-CD1 4.4Å; C155-I190 WeakPolarHBondContact SG-CD1 3.26Å; C155-M194 HydrophobicContact CB-SD 3.63Å; C155-M194 VanDerWaalsContact SG-SD 3.65Å; C155-T226 CarbonylContact O-C 3.57Å; C155-T226 WeakPolarHBondContact O-CA 3.46Å; C155-V227 PolarHBondContact N-O 2.94Å; C155-V227 PolarHBondContact O-N 3.01Å
156E96.6Very high94.1Very high98 Ų9852 Ų5246%0.45828%0.282SS..EExtended strand (participates in β ladder)trans-117.7112.7174.4-74.4168.7-161.600107.4K154 M224 T226K154-E156 VanDerWaalsContact CE-OE1 3.29Å; K154-E156 WeakPolarHBondContact CE-OE1 3.46Å; K154-E156 IonicContact NZ-OE1 2.8Å; K154-E156 PolarHBondContact NZ-OE1 3.18Å; E156-M224 HydrophobicContact CB-CG 4.49Å; E156-M224 HydrophobicContact CB-SD 3.83Å; E156-M224 HydrophobicContact CG-CE 4.45Å; E156-M224 HydrophobicContact CG-SD 4.2Å; E156-T226 HydrophobicContact CG-CG2 3.86Å
157F97.5Very high93.9Very high0 Ų048.2 Ų48.20%026%0.257CS..EExtended strand (participates in β ladder)trans-104.9122.3-176-55.5-72.3000109.6C155 V168 G169 F170 V184 I190 M194 V198 M224 L225 V227C155-F157 HydrophobicContact CB-CD1 4.47Å; C155-F157 HydrophobicContact CB-CD2 4.33Å; C155-F157 HydrophobicContact CB-CE1 3.76Å; C155-F157 HydrophobicContact CB-CE2 3.59Å; C155-F157 HydrophobicContact CB-CZ 3.28Å; F157-V168 HydrophobicContact CB-CG1 3.9Å; F157-G169 CarbonylContact C-O 3.14Å; F157-G169 WeakPolarHBondContact CA-O 3.24Å; F157-F170 HydrophobicContact CD1-CD1 4.48Å; F157-F170 HydrophobicContact CD1-CE1 4.05Å; F157-F170 HydrophobicContact CD1-CE2 4.4Å; F157-F170 HydrophobicContact CD1-CZ 4.01Å; F157-F170 HydrophobicContact CE1-CE1 4.11Å; F157-F170 AromaticContact CE1-CE2 4Å; F157-F170 HydrophobicContact CE1-CE2 4Å; F157-F170 AromaticContact CE1-CZ 3.63Å; F157-F170 HydrophobicContact CE1-CZ 3.63Å; F157-V184 HydrophobicContact CD1-CG1 3.78Å; F157-V184 HydrophobicContact CE1-CB 4.4Å; F157-V184 HydrophobicContact CE1-CG1 3.71Å; F157-I190 HydrophobicContact CE1-CD1 4.49Å; F157-I190 HydrophobicContact CZ-CG2 4.43Å; F157-M194 HydrophobicContact CE2-CG 3.88Å; F157-M194 HydrophobicContact CE2-SD 3.94Å; F157-M194 HydrophobicContact CZ-CG 3.82Å; F157-M194 HydrophobicContact CZ-SD 3.64Å; F157-V198 HydrophobicContact CD1-CG2 4.25Å; F157-V198 HydrophobicContact CD2-CG2 3.48Å; F157-V198 VanDerWaalsContact CD2-CG2 3.48Å; F157-V198 HydrophobicContact CE1-CG2 4.14Å; F157-V198 HydrophobicContact CE2-CG2 3.34Å; F157-V198 HydrophobicContact CG-CG2 3.93Å; F157-V198 HydrophobicContact CZ-CG2 3.68Å; F157-M224 CarbonylContact O-C 3.57Å; F157-M224 VanDerWaalsContact O-CA 3.24Å; F157-M224 WeakPolarHBondContact O-CA 3.38Å; F157-M224 WeakPolarHBondContact O-CG 3.42Å; F157-L225 HydrophobicContact CB-CB 4.44Å; F157-L225 HydrophobicContact CD2-CD2 4.37Å; F157-L225 WeakPolarHBondContact CD2-O 3.44Å; F157-L225 PolarHBondContact N-O 3.24Å; F157-L225 PolarHBondContact O-N 3.21Å; F157-V227 HydrophobicContact CD2-CG2 4.01Å; F157-V227 HydrophobicContact CE2-CB 4.1Å; F157-V227 HydrophobicContact CE2-CG2 3.77Å
158S95.7Very high93.9Very high19 Ų1943.9 Ų43.913%0.13324%0.238CC..EExtended strand (participates in β ladder)trans-69.5147.1173.2-690000110.7V168 G169 R171 V181S158-V168 WeakPolarHBondContact O-CA 3.39Å; S158-G169 PolarHBondContact N-O 3.45Å; S158-G169 PolarHBondContact O-N 2.91Å; S158-R171 PolarHBondContact OG-NE 3.37Å; S158-R171 VanDerWaalsContact OG-NE 3.1Å; S158-V181 WeakPolarHBondContact O-CG1 3.32Å
159V95.6Very high93.9Very high7 Ų739.7 Ų39.74%0.04222%0.219CC..EExtended strand (participates in β ladder)trans-101.9128.9164.6-171.30000108.2E167 V168 F201 I205 P212 W222 R223V159-E167 WeakPolarHBondContact CA-O 2.86Å; V159-V168 HydrophobicContact CG2-CG2 4.31Å; V159-F201 HydrophobicContact CG2-CE1 3.79Å; V159-I205 HydrophobicContact CG1-CD1 3.64Å; V159-P212 HydrophobicContact CG1-CB 4.07Å; V159-P212 HydrophobicContact CG1-CG 4.08Å; V159-W222 HydrophobicContact CB-CB 3.99Å; V159-W222 HydrophobicContact CG1-CB 3.63Å; V159-W222 HydrophobicContact CG2-CB 4.2Å; V159-R223 PolarHBondContact N-O 2.91Å
160G93.2Very high93.8Very high5 Ų535.9 Ų35.95%0.05220%0.2CC..EExtended strand (participates in β ladder)trans-159.1-154.5-176.300000111.3P166 E167 P212G160-P166 CarbonylContact O-C 3.44Å; G160-P166 WeakPolarHBondContact O-CA 3.5Å; G160-E167 PolarHBondContact N-O 3.31Å; G160-E167 PolarHBondContact O-N 2.79Å; G160-P212 WeakPolarHBondContact O-CG 3.32Å
161Y90.9Very high93.5Very high94 Ų9438.8 Ų38.837%0.36921%0.206SC..EExtended strand (participates in β ladder)trans-114.4145.9176.2-68.5-83.3000111S165 P166 T180 V181 P212Y161-S165 CarbonylContact C-O 3.13Å; Y161-S165 VanDerWaalsContact CA-O 3.31Å; Y161-S165 WeakPolarHBondContact CA-O 3.41Å; Y161-P166 HydrophobicContact CD1-CG 4.49Å; Y161-P166 HydrophobicContact CE1-CG 4.12Å; Y161-T180 WeakPolarHBondContact O-CA 3.14Å; Y161-V181 PolarHBondContact O-N 3.12Å; Y161-P212 HydrophobicContact CD2-CB 4.31Å; Y161-P212 HydrophobicContact CD2-CG 4.4Å; Y161-P212 HydrophobicContact CE1-CG 4.15Å; Y161-P212 HydrophobicContact CE2-CB 3.96Å; Y161-P212 HydrophobicContact CE2-CG 4.03Å
162N87.6Confident92.9Very high36 Ų3641 Ų4119%0.19322%0.219CC..EExtended strand (participates in β ladder)trans-129.5118167.4-164.7-12.6000108.3G164 S165 E167 V181N162-G164 PolarHBondContact O-N 3.35Å; N162-G164 VanDerWaalsContact O-N 3.09Å; N162-S165 PolarHBondContact N-O 3.27Å; N162-S165 PolarHBondContact O-N 3.1Å; N162-E167 HydrophobicContact CB-CB 3.75Å; N162-E167 HydrophobicContact CB-CG 3.98Å; N162-V181 VanDerWaalsContact CB-O 3.22Å; N162-V181 WeakPolarHBondContact CB-O 3.15Å; N162-V181 PolarHBondContact ND2-O 3.35Å
163N84.7Confident91.6Very high150 Ų15039.7 Ų39.780%0.80222%0.217SC*.THydrogen-bonded Turntrans48.439.5-177.3-60.3-29.7000113.4S165N163-S165 VanDerWaalsContact C-N 3.33Å; N163-S165 PolarHBondContact O-N 3.11Å
164G85.2Confident90Very high67 Ų6750 Ų5069%0.69126%0.255SS*.THydrogen-bonded Turntrans83.7-7.7179.500000116N162N162-G164 PolarHBondContact O-N 3.35Å; N162-G164 VanDerWaalsContact O-N 3.09Å
165S89.6Confident87.9Confident50 Ų5051.7 Ų51.735%0.3526%0.264SS..EExtended strand (participates in β ladder)trans-100.2142.1176.8-166.20000111.5Y161 N162 N163 E167Y161-S165 CarbonylContact C-O 3.13Å; Y161-S165 VanDerWaalsContact CA-O 3.31Å; Y161-S165 WeakPolarHBondContact CA-O 3.41Å; N162-S165 PolarHBondContact N-O 3.27Å; N162-S165 PolarHBondContact O-N 3.1Å; N163-S165 VanDerWaalsContact C-N 3.33Å; N163-S165 PolarHBondContact O-N 3.11Å; S165-E167 PolarHBondContact O-N 2.91Å
166P92.8Very high85.3Confident30 Ų3058.2 Ų58.220%0.19529%0.288CS..EExtended strand (participates in β ladder)trans-54.9135.2171.3-26.735.5000112.6G160 Y161 I205 L206 P212G160-P166 CarbonylContact O-C 3.44Å; G160-P166 WeakPolarHBondContact O-CA 3.5Å; Y161-P166 HydrophobicContact CD1-CG 4.49Å; Y161-P166 HydrophobicContact CE1-CG 4.12Å; P166-I205 HydrophobicContact CB-CD1 4.03Å; P166-L206 HydrophobicContact CB-CD2 4.07Å; P166-L206 HydrophobicContact CG-CD2 4.24Å; P166-P212 HydrophobicContact CB-CG 3.81Å; P166-P212 HydrophobicContact CG-CG 4.18Å
167E94.6Very high83.1Confident9 Ų958.4 Ų58.44%0.04229%0.289CS..EExtended strand (participates in β ladder)trans-140152.6-177.7-170.453.8-87.900111.4V159 G160 N162 S165 V181 R202V159-E167 WeakPolarHBondContact CA-O 2.86Å; G160-E167 PolarHBondContact N-O 3.31Å; G160-E167 PolarHBondContact O-N 2.79Å; N162-E167 HydrophobicContact CB-CB 3.75Å; N162-E167 HydrophobicContact CB-CG 3.98Å; S165-E167 PolarHBondContact O-N 2.91Å; E167-V181 HydrophobicContact CB-CB 4.41Å; E167-V181 HydrophobicContact CB-CG1 4.32Å; E167-V181 HydrophobicContact CG-CG1 4.18Å; E167-V181 WeakPolarHBondContact CG-O 3.45Å; E167-R202 WeakPolarHBondContact OE1-CD 3.3Å; E167-R202 IonicContact OE1-CZ 2.69Å; E167-R202 IonicContact OE1-NE 2.62Å; E167-R202 PolarHBondContact OE1-NE 2.88Å; E167-R202 IonicContact OE2-CZ 2.77Å; E167-R202 VanDerWaalsContact OE2-CZ 3.26Å; E167-R202 IonicContact OE2-NE 3.84Å; E167-R202 PolarHBondContact OE2-NE 3.44Å; E167-R202 IonicContact OE2-NH2 3.86Å; E167-R202 PolarHBondContact OE2-NH2 3.35Å
168V96.5Very high81.2Confident0 Ų059.9 Ų59.90%030%0.304CS..EExtended strand (participates in β ladder)trans-122.7125.2176.3-171.70000109.3F157 S158 V159 V198 F201 R202 I205 L225F157-V168 HydrophobicContact CB-CG1 3.9Å; S158-V168 WeakPolarHBondContact O-CA 3.39Å; V159-V168 HydrophobicContact CG2-CG2 4.31Å; V168-V198 HydrophobicContact CB-CG1 4.04Å; V168-V198 HydrophobicContact CG1-CG1 3.89Å; V168-F201 HydrophobicContact CG1-CD1 4.01Å; V168-F201 HydrophobicContact CG2-CD1 3.81Å; V168-F201 HydrophobicContact CG2-CE1 4.23Å; V168-R202 HydrophobicContact CB-CB 4.43Å; V168-R202 HydrophobicContact CG2-CB 4.02Å; V168-R202 HydrophobicContact CG2-CG 4.45Å; V168-I205 HydrophobicContact CG2-CD1 3.4Å; V168-I205 HydrophobicContact CG2-CG1 4.21Å; V168-L225 HydrophobicContact CG1-CB 4.42Å; V168-L225 HydrophobicContact CG1-CD2 4.46Å
169G96.7Very high79.8Confident0 Ų060.5 Ų60.50%031%0.308CS..EExtended strand (participates in β ladder)trans164.7-138.1177.300000113.1F157 S158 V181 A182F157-G169 CarbonylContact C-O 3.14Å; F157-G169 WeakPolarHBondContact CA-O 3.24Å; S158-G169 PolarHBondContact N-O 3.45Å; S158-G169 PolarHBondContact O-N 2.91Å; G169-V181 VanDerWaalsContact N-CG1 3.27Å; G169-A182 WeakPolarHBondContact CA-O 3.48Å
170F94.4Very high79.4Confident31 Ų3162 Ų6214%0.13632%0.317CS..EExtended strand (participates in β ladder)trans-100.8149.1-178.6-65.9-60.4000111.1I88 V92 F157 L172 V181 A182 V184 H189 I190I88-F170 HydrophobicContact CD1-CB 3.54Å; I88-F170 HydrophobicContact CG1-CB 3.8Å; I88-F170 HydrophobicContact CG1-CD2 4.48Å; V92-F170 HydrophobicContact CG1-CB 3.88Å; V92-F170 HydrophobicContact CG1-CD1 4.37Å; V92-F170 HydrophobicContact CG1-CD2 3.78Å; V92-F170 HydrophobicContact CG1-CE2 4.39Å; V92-F170 HydrophobicContact CG1-CG 3.77Å; F157-F170 HydrophobicContact CD1-CD1 4.48Å; F157-F170 HydrophobicContact CD1-CE1 4.05Å; F157-F170 HydrophobicContact CD1-CE2 4.4Å; F157-F170 HydrophobicContact CD1-CZ 4.01Å; F157-F170 HydrophobicContact CE1-CE1 4.11Å; F157-F170 AromaticContact CE1-CE2 4Å; F157-F170 HydrophobicContact CE1-CE2 4Å; F157-F170 AromaticContact CE1-CZ 3.63Å; F157-F170 HydrophobicContact CE1-CZ 3.63Å; F170-L172 PolarHBondContact O-N 3.06Å; F170-V181 CarbonylContact O-C 3.1Å; F170-V181 WeakPolarHBondContact O-CA 3.24Å; F170-A182 PolarHBondContact N-O 2.85Å; F170-A182 VanDerWaalsContact N-O 3.11Å; F170-A182 PolarHBondContact O-N 3.06Å; F170-V184 HydrophobicContact CD2-CG1 3.8Å; F170-V184 HydrophobicContact CE2-CG1 3.93Å; F170-H189 AromaticContact CE2-NE2 3.98Å; F170-I190 HydrophobicContact CE2-CD1 4.09Å; F170-I190 HydrophobicContact CE2-CG1 4.21Å; F170-I190 HydrophobicContact CZ-CD1 3.94Å
171R89.1Confident79.3Confident96 Ų9661.9 Ų61.936%0.36232%0.316SS..EExtended strand (participates in β ladder)trans-72.9125.2176.7-65.5-175.9-175-178.1-1.9109.5S158 H175 V181S158-R171 PolarHBondContact OG-NE 3.37Å; S158-R171 VanDerWaalsContact OG-NE 3.1Å; R171-H175 PolarHBondContact NH1-CE1 3.21Å; R171-H175 VanDerWaalsContact NH1-CE1 3.31Å; R171-H175 PolarHBondContact NH1-NE2 2.92Å; R171-V181 HydrophobicContact CG-CG2 4.36Å
172L83.5Confident79.3Confident53 Ų5357.8 Ų57.828%0.27730%0.301SS..  trans-83.1-43.9177.8-164.665.6000111.2T86 I88 V91 F170 T180 A182T86-L172 VanDerWaalsContact O-CD1 3.3Å; T86-L172 WeakPolarHBondContact O-CD1 3.36Å; I88-L172 HydrophobicContact CB-CD1 3.96Å; I88-L172 HydrophobicContact CD1-CD1 3.82Å; V91-L172 HydrophobicContact CG2-CD1 4.22Å; F170-L172 PolarHBondContact O-N 3.06Å; L172-T180 HydrophobicContact CB-CG2 4.36Å; L172-T180 HydrophobicContact CD2-CG2 4.4Å; L172-T180 PolarHBondContact N-O 3.27Å; L172-A182 HydrophobicContact CB-CB 4.35Å; L172-A182 HydrophobicContact CD1-CB 4.3Å
173T70Confident79.6Confident29 Ų2958.2 Ų58.218%0.17831%0.306CS..SBendtrans-106.4150.9-176.349.10000111.4E177 G178 T180T173-E177 HydrophobicContact CG2-CB 4.17Å; T173-G178 PolarHBondContact OG1-O 3.17Å; T173-T180 PolarHBondContact OG1-N 3.14Å; T173-T180 VanDerWaalsContact OG1-N 3.14Å
174R61.6Low80.1Confident223 Ų22351.1 Ų51.184%0.84227%0.268SS*.  trans-79.6150.7168.1-66.6-178.8176.7175.1-0.6109.1R176 E177R174-R176 PolarHBondContact O-N 2.97Å; R174-E177 PolarHBondContact O-N 2.72Å
175H52.2Low80.4Confident86 Ų8651.2 Ų51.240%0.39825%0.252SS..G310 helixtrans-34.1-28.2-173-74.3-79.3000118.3R171R171-H175 PolarHBondContact NH1-CE1 3.21Å; R171-H175 VanDerWaalsContact NH1-CE1 3.31Å; R171-H175 PolarHBondContact NH1-NE2 2.92Å
176R44Very low80.5Confident140 Ų14054.3 Ų54.353%0.52827%0.265SS..G310 helixtrans-82.8-16.3-175.3-62.3-173.4-177.8-168.35.3115.2R174R174-R176 PolarHBondContact O-N 2.97Å
177E49.7Very low80.6Confident101 Ų10152.9 Ų52.947%0.47226%0.256SS..G310 helixtrans-102.910.6-179.2-61.8-175.1145.500112.5R74 T173 R174R74-E177 IonicContact NH2-OE1 3.4Å; T173-E177 HydrophobicContact CG2-CB 4.17Å; R174-E177 PolarHBondContact O-N 2.72Å
178G57.2Low80.6Confident31 Ų3156.5 Ų56.532%0.3227%0.271SS..  trans94.9158.8-16600000111.4T173 T180T173-G178 PolarHBondContact OG1-O 3.17Å; G178-T180 PolarHBondContact O-N 3.33Å
179C67Low80.6Confident32 Ų3256.8 Ų56.822%0.21627%0.273CS..  trans-92.370.8175.3-78.20000110.2
180T86.2Confident80.6Confident40 Ų4056.8 Ų56.825%0.24527%0.273CS..BIsolated β-bridgetrans-75126.4173.8-55.80000109.6Y161 L172 T173 G178Y161-T180 WeakPolarHBondContact O-CA 3.14Å; L172-T180 HydrophobicContact CB-CG2 4.36Å; L172-T180 HydrophobicContact CD2-CG2 4.4Å; L172-T180 PolarHBondContact N-O 3.27Å; T173-T180 PolarHBondContact OG1-N 3.14Å; T173-T180 VanDerWaalsContact OG1-N 3.14Å; G178-T180 PolarHBondContact O-N 3.33Å
181V91.1Very high80.6Confident2 Ų256.2 Ų56.21%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-107.7130.8174.3172.40000108.3S158 Y161 N162 E167 G169 F170 R171S158-V181 WeakPolarHBondContact O-CG1 3.32Å; Y161-V181 PolarHBondContact O-N 3.12Å; N162-V181 VanDerWaalsContact CB-O 3.22Å; N162-V181 WeakPolarHBondContact CB-O 3.15Å; N162-V181 PolarHBondContact ND2-O 3.35Å; E167-V181 HydrophobicContact CB-CB 4.41Å; E167-V181 HydrophobicContact CB-CG1 4.32Å; E167-V181 HydrophobicContact CG-CG1 4.18Å; E167-V181 WeakPolarHBondContact CG-O 3.45Å; G169-V181 VanDerWaalsContact N-CG1 3.27Å; F170-V181 CarbonylContact O-C 3.1Å; F170-V181 WeakPolarHBondContact O-CA 3.24Å; R171-V181 HydrophobicContact CG-CG2 4.36Å
182A92.5Very high80.7Confident7 Ų755.6 Ų55.66%0.05828%0.279CS..EExtended strand (participates in β ladder)trans-107.1148.8178.600000110.8I88 G169 F170 L172I88-A182 HydrophobicContact CB-CB 3.66Å; I88-A182 HydrophobicContact CD1-CB 4.07Å; I88-A182 HydrophobicContact CG1-CB 3.86Å; I88-A182 HydrophobicContact CG2-CB 4.17Å; G169-A182 WeakPolarHBondContact CA-O 3.48Å; F170-A182 PolarHBondContact N-O 2.85Å; F170-A182 VanDerWaalsContact N-O 3.11Å; F170-A182 PolarHBondContact O-N 3.06Å; L172-A182 HydrophobicContact CB-CB 4.35Å; L172-A182 HydrophobicContact CD1-CB 4.3Å
183P93.2Very high81Confident45 Ų4556.5 Ų56.529%0.29228%0.283SS..  trans-65.1165.3178.429.9-36.9000111.6I88I88-P183 WeakPolarHBondContact CG2-O 3.18Å
184V94.8Very high82.2Confident2 Ų255.1 Ų55.11%0.01227%0.274CS..SBendtrans-107.73.6-172.1-56.90000113.7F157 F170 D186 C187 K195 V198F157-V184 HydrophobicContact CD1-CG1 3.78Å; F157-V184 HydrophobicContact CE1-CB 4.4Å; F157-V184 HydrophobicContact CE1-CG1 3.71Å; F170-V184 HydrophobicContact CD2-CG1 3.8Å; F170-V184 HydrophobicContact CE2-CG1 3.93Å; V184-D186 VanDerWaalsContact C-N 3.29Å; V184-D186 PolarHBondContact O-N 2.79Å; V184-C187 VanDerWaalsContact O-CB 3.25Å; V184-C187 WeakPolarHBondContact O-CB 3.48Å; V184-C187 PolarHBondContact O-N 3.28Å; V184-K195 HydrophobicContact CG2-CG 4.23Å; V184-K195 WeakPolarHBondContact O-CE 3.4Å; V184-V198 HydrophobicContact CG2-CB 4.15Å; V184-V198 HydrophobicContact CG2-CG1 3.91Å; V184-V198 HydrophobicContact CG2-CG2 4.31Å
185D91.4Very high83.8Confident68 Ų6845.7 Ų45.736%0.36424%0.239SC..THydrogen-bonded Turntrans-61.6-36.5-170.1-66.6-81.3000112.8C187 K195 R199D185-C187 VanDerWaalsContact C-N 3.33Å; D185-C187 PolarHBondContact O-N 3.13Å; D185-K195 WeakPolarHBondContact O-CE 3.25Å; D185-K195 PolarHBondContact O-NZ 3Å; D185-R199 IonicContact OD1-CZ 2.67Å; D185-R199 IonicContact OD1-NE 2.92Å; D185-R199 PolarHBondContact OD1-NE 2.63Å; D185-R199 IonicContact OD1-NH2 3.71Å
186D91.4Very high85.7Confident116 Ų11642.4 Ų42.462%0.6223%0.226SC*.THydrogen-bonded Turntrans-83.5-6.5178.5-58.5-40.2000113.6T89 V184 K188T89-D186 HydrophobicContact CG2-CB 3.71Å; T89-D186 WeakPolarHBondContact CG2-O 3.32Å; V184-D186 VanDerWaalsContact C-N 3.29Å; V184-D186 PolarHBondContact O-N 2.79Å; D186-K188 PolarHBondContact O-N 2.92Å
187C95Very high88Confident0 Ų035.8 Ų35.80%020%0.201CC..  trans-73.999.3-179-65.80000110.9V184 D185 H189 I190 K195V184-C187 VanDerWaalsContact O-CB 3.25Å; V184-C187 WeakPolarHBondContact O-CB 3.48Å; V184-C187 PolarHBondContact O-N 3.28Å; D185-C187 VanDerWaalsContact C-N 3.33Å; D185-C187 PolarHBondContact O-N 3.13Å; C187-H189 VanDerWaalsContact C-N 3.27Å; C187-H189 PolarHBondContact O-N 3.09Å; C187-I190 HydrophobicContact CB-CB 4.32Å; C187-I190 HydrophobicContact CB-CG1 3.63Å; C187-I190 PolarHBondContact O-N 3.3Å; C187-I190 VanDerWaalsContact O-N 3.16Å; C187-K195 WeakPolarHBondContact O-CE 3.38Å; C187-K195 PolarHBondContact O-NZ 2.62Å
188K95.1Very high90.2Very high84 Ų8431.2 Ų31.237%0.36518%0.18SC..THydrogen-bonded Turntrans-60.3-30-177.8-62.7-179.6-173.31730114.6H96 E149 S150 D186 I190 M482H96-K188 PolarHBondContact O-NZ 2.96Å; H96-K188 VanDerWaalsContact O-NZ 3.08Å; E149-K188 HydrophobicContact CG-CB 4.43Å; S150-K188 PolarHBondContact N-O 3.12Å; D186-K188 PolarHBondContact O-N 2.92Å; K188-I190 PolarHBondContact O-N 2.87Å; K188-M482 HydrophobicContact CB-CE 3.91Å; K188-M482 HydrophobicContact CB-SD 3.79Å; K188-M482 HydrophobicContact CD-SD 4.09Å
189H96.4Very high92Very high7 Ų734.3 Ų34.33%0.03218%0.182CC..THydrogen-bonded Turntrans-73.5-13-18066.4-71.8000113.6V92 T93 Y151 R152 F170 C187 M482V92-H189 VanDerWaalsContact CG2-CE1 3.41Å; V92-H189 WeakPolarHBondContact CG2-CE1 3.49Å; T93-H189 HydrophobicContact CG2-CB 4.02Å; T93-H189 WeakPolarHBondContact CG2-ND1 3.46Å; Y151-H189 HydrophobicContact CD1-CB 4.3Å; Y151-H189 HydrophobicContact CE1-CB 3.63Å; Y151-H189 PolarHBondContact N-O 3.22Å; R152-H189 VanDerWaalsContact CB-O 3.23Å; R152-H189 WeakPolarHBondContact CB-O 3.46Å; R152-H189 PolarHBondContact N-O 3.31Å; R152-H189 VanDerWaalsContact N-O 3.16Å; F170-H189 AromaticContact CE2-NE2 3.98Å; C187-H189 VanDerWaalsContact C-N 3.27Å; C187-H189 PolarHBondContact O-N 3.09Å; H189-M482 HydrophobicContact CB-CE 4.1Å
190I96.8Very high93.2Very high0 Ų035 Ų350%018%0.18CC..SBendtrans-94.4126-178.7-53.4-62.3000110.2C155 F157 F170 C187 K188 M194 K195C155-I190 HydrophobicContact CB-CD1 4.4Å; C155-I190 WeakPolarHBondContact SG-CD1 3.26Å; F157-I190 HydrophobicContact CE1-CD1 4.49Å; F157-I190 HydrophobicContact CZ-CG2 4.43Å; F170-I190 HydrophobicContact CE2-CD1 4.09Å; F170-I190 HydrophobicContact CE2-CG1 4.21Å; F170-I190 HydrophobicContact CZ-CD1 3.94Å; C187-I190 HydrophobicContact CB-CB 4.32Å; C187-I190 HydrophobicContact CB-CG1 3.63Å; C187-I190 PolarHBondContact O-N 3.3Å; C187-I190 VanDerWaalsContact O-N 3.16Å; K188-I190 PolarHBondContact O-N 2.87Å; I190-M194 HydrophobicContact CD1-SD 4.48Å; I190-M194 HydrophobicContact CG2-CB 3.91Å; I190-M194 HydrophobicContact CG2-CG 3.95Å; I190-M194 HydrophobicContact CG2-SD 3.86Å; I190-K195 HydrophobicContact CB-CG 4.29Å; I190-K195 HydrophobicContact CG2-CG 3.73Å; I190-K195 WeakPolarHBondContact O-CE 3.47Å
191P94.2Very high93.7Very high19 Ų1933 Ų3312%0.12317%0.168CC..  trans-60.7145.5175.4-20.630.2000113.3R152 M193 M194 K195R152-P191 WeakPolarHBondContact O-CD 3.45Å; P191-M193 VanDerWaalsContact C-N 3.26Å; P191-M193 PolarHBondContact O-N 3.49Å; P191-M194 HydrophobicContact CB-CB 4.41Å; P191-M194 WeakPolarHBondContact O-CB 3.02Å; P191-M194 PolarHBondContact O-N 2.86Å; P191-K195 PolarHBondContact O-N 2.98Å
192T92Very high93.9Very high82 Ų8236.9 Ų36.950%0.50318%0.183SC..Hα-helixtrans-53.3-40.7177.5-54.10000113.1M194 K195 S196T192-M194 VanDerWaalsContact C-N 3.34Å; T192-M194 PolarHBondContact O-N 3.03Å; T192-K195 WeakPolarHBondContact O-CB 3.36Å; T192-K195 PolarHBondContact O-N 2.85Å; T192-S196 PolarHBondContact O-N 2.89Å; T192-S196 PolarHBondContact O-OG 3.41Å
193M90.1Very high94Very high72 Ų7240.1 Ų40.136%0.35521%0.205SC..Hα-helixtrans-61.8-42.6177.4-64.4-59.998.900111.8P191 K195 S196 V197 I234 F269P191-M193 VanDerWaalsContact C-N 3.26Å; P191-M193 PolarHBondContact O-N 3.49Å; M193-K195 PolarHBondContact O-N 3.37Å; M193-S196 PolarHBondContact O-N 2.96Å; M193-V197 WeakPolarHBondContact O-CG2 3.45Å; M193-V197 PolarHBondContact O-N 3.43Å; M193-I234 HydrophobicContact CB-CD1 4.45Å; M193-F269 HydrophobicContact SD-CB 3.81Å
194M94.8Very high94.1Very high0 Ų038.7 Ų38.70%019%0.194CC..Hα-helixtrans-64.7-39.9176.1-172.8178.6-67.500111.4R152 N153 C155 F157 I190 P191 T192 S196 V197 V198 V227 C229R152-M194 VanDerWaalsContact O-CE 3.31Å; R152-M194 WeakPolarHBondContact O-CE 3.34Å; N153-M194 WeakPolarHBondContact O-CE 3.12Å; C155-M194 HydrophobicContact CB-SD 3.63Å; C155-M194 VanDerWaalsContact SG-SD 3.65Å; F157-M194 HydrophobicContact CE2-CG 3.88Å; F157-M194 HydrophobicContact CE2-SD 3.94Å; F157-M194 HydrophobicContact CZ-CG 3.82Å; F157-M194 HydrophobicContact CZ-SD 3.64Å; I190-M194 HydrophobicContact CD1-SD 4.48Å; I190-M194 HydrophobicContact CG2-CB 3.91Å; I190-M194 HydrophobicContact CG2-CG 3.95Å; I190-M194 HydrophobicContact CG2-SD 3.86Å; P191-M194 HydrophobicContact CB-CB 4.41Å; P191-M194 WeakPolarHBondContact O-CB 3.02Å; P191-M194 PolarHBondContact O-N 2.86Å; T192-M194 VanDerWaalsContact C-N 3.34Å; T192-M194 PolarHBondContact O-N 3.03Å; M194-S196 VanDerWaalsContact C-N 3.32Å; M194-S196 PolarHBondContact O-N 3.23Å; M194-V197 PolarHBondContact O-N 3.24Å; M194-V198 WeakPolarHBondContact O-CG2 3.43Å; M194-V198 PolarHBondContact O-N 2.83Å; M194-V227 HydrophobicContact CE-CB 4.37Å; M194-V227 HydrophobicContact CE-CG1 4.28Å; M194-V227 HydrophobicContact CG-CB 3.98Å; M194-V227 HydrophobicContact CG-CG1 3.87Å; M194-V227 HydrophobicContact SD-CB 4.41Å; M194-C229 HydrophobicContact CB-CB 4.39Å; M194-C229 HydrophobicContact CE-CB 3.67Å
195K94.4Very high94.1Very high25 Ų2538.8 Ų38.811%0.10919%0.194CC..Hα-helixtrans-60.5-40.7173.4-61.5177.4176.7177.90111.8V184 D185 C187 I190 P191 T192 M193 V198 R199V184-K195 HydrophobicContact CG2-CG 4.23Å; V184-K195 WeakPolarHBondContact O-CE 3.4Å; D185-K195 WeakPolarHBondContact O-CE 3.25Å; D185-K195 PolarHBondContact O-NZ 3Å; C187-K195 WeakPolarHBondContact O-CE 3.38Å; C187-K195 PolarHBondContact O-NZ 2.62Å; I190-K195 HydrophobicContact CB-CG 4.29Å; I190-K195 HydrophobicContact CG2-CG 3.73Å; I190-K195 WeakPolarHBondContact O-CE 3.47Å; P191-K195 PolarHBondContact O-N 2.98Å; T192-K195 WeakPolarHBondContact O-CB 3.36Å; T192-K195 PolarHBondContact O-N 2.85Å; M193-K195 PolarHBondContact O-N 3.37Å; K195-V198 PolarHBondContact O-N 3.22Å; K195-R199 PolarHBondContact O-N 3.21Å
196S91.7Very high94.3Very high17 Ų1739 Ų3912%0.11920%0.195CC..Hα-helixtrans-65.2-40.3176.6-64.50000113T192 M193 M194 V198 R199 R200T192-S196 PolarHBondContact O-N 2.89Å; T192-S196 PolarHBondContact O-OG 3.41Å; M193-S196 PolarHBondContact O-N 2.96Å; M194-S196 VanDerWaalsContact C-N 3.32Å; M194-S196 PolarHBondContact O-N 3.23Å; S196-V198 VanDerWaalsContact C-N 3.34Å; S196-V198 PolarHBondContact O-N 3.23Å; S196-R199 PolarHBondContact O-N 2.85Å; S196-R199 PolarHBondContact OG-NH1 2.79Å; S196-R200 WeakPolarHBondContact O-CB 3.23Å; S196-R200 PolarHBondContact O-N 2.98Å
197V93.5Very high94.4Very high1 Ų138.1 Ų38.11%0.00620%0.198CC..Hα-helixtrans-59.5-45.2171.7173.80000110.9M193 M194 R200 F201 L225 V227 I234 I236 F269M193-V197 WeakPolarHBondContact O-CG2 3.45Å; M193-V197 PolarHBondContact O-N 3.43Å; M194-V197 PolarHBondContact O-N 3.24Å; V197-R200 PolarHBondContact O-N 3.41Å; V197-F201 PolarHBondContact O-N 2.82Å; V197-L225 HydrophobicContact CG1-CD2 4.45Å; V197-V227 HydrophobicContact CB-CG1 4.5Å; V197-V227 HydrophobicContact CG1-CG1 4.18Å; V197-V227 HydrophobicContact CG1-CG2 3.84Å; V197-I234 HydrophobicContact CG2-CD1 4.19Å; V197-I234 HydrophobicContact CG2-CG2 4.12Å; V197-I236 HydrophobicContact CG1-CG2 3.67Å; V197-F269 HydrophobicContact CB-CE2 4.38Å; V197-F269 HydrophobicContact CG2-CD2 3.66Å; V197-F269 HydrophobicContact CG2-CE2 3.39Å; V197-F269 HydrophobicContact CG2-CG 4.42Å; V197-F269 HydrophobicContact CG2-CZ 3.94Å
198V96.1Very high94.3Very high5 Ų539.5 Ų39.53%0.0321%0.208CC..Hα-helixtrans-61.1-46.1177.6172.80000111.3F157 V168 V184 M194 K195 S196 R200 F201 R202 L225F157-V198 HydrophobicContact CD1-CG2 4.25Å; F157-V198 HydrophobicContact CD2-CG2 3.48Å; F157-V198 VanDerWaalsContact CD2-CG2 3.48Å; F157-V198 HydrophobicContact CE1-CG2 4.14Å; F157-V198 HydrophobicContact CE2-CG2 3.34Å; F157-V198 HydrophobicContact CG-CG2 3.93Å; F157-V198 HydrophobicContact CZ-CG2 3.68Å; V168-V198 HydrophobicContact CB-CG1 4.04Å; V168-V198 HydrophobicContact CG1-CG1 3.89Å; V184-V198 HydrophobicContact CG2-CB 4.15Å; V184-V198 HydrophobicContact CG2-CG1 3.91Å; V184-V198 HydrophobicContact CG2-CG2 4.31Å; M194-V198 WeakPolarHBondContact O-CG2 3.43Å; M194-V198 PolarHBondContact O-N 2.83Å; K195-V198 PolarHBondContact O-N 3.22Å; S196-V198 VanDerWaalsContact C-N 3.34Å; S196-V198 PolarHBondContact O-N 3.23Å; V198-R200 VanDerWaalsContact C-N 3.35Å; V198-R200 PolarHBondContact O-N 3.43Å; V198-F201 PolarHBondContact O-N 3.38Å; V198-R202 WeakPolarHBondContact O-CB 3.28Å; V198-R202 PolarHBondContact O-N 2.81Å; V198-L225 HydrophobicContact CG2-CD2 4.21Å
199R94.1Very high94.1Very high97 Ų9742.1 Ų42.137%0.36623%0.226SC..Hα-helixtrans-60.5-42.4176.2-76.3-173.1-115.4100.82.1112.3D185 K195 S196 R202 S203D185-R199 IonicContact OD1-CZ 2.67Å; D185-R199 IonicContact OD1-NE 2.92Å; D185-R199 PolarHBondContact OD1-NE 2.63Å; D185-R199 IonicContact OD1-NH2 3.71Å; K195-R199 PolarHBondContact O-N 3.21Å; S196-R199 PolarHBondContact O-N 2.85Å; S196-R199 PolarHBondContact OG-NH1 2.79Å; R199-R202 WeakPolarHBondContact O-CB 3.33Å; R199-R202 PolarHBondContact O-N 2.8Å; R199-S203 PolarHBondContact O-N 3.02Å; R199-S203 PolarHBondContact O-OG 3.45Å
200R92.5Very high94Very high45 Ų4543.6 Ų43.617%0.1723%0.232CC..Hα-helixtrans-63.1-44.3177.3-170.1174.5-179.8112.94.4111.4S196 V197 V198 S203 F204 H260 F261 Q264 D265S196-R200 WeakPolarHBondContact O-CB 3.23Å; S196-R200 PolarHBondContact O-N 2.98Å; V197-R200 PolarHBondContact O-N 3.41Å; V198-R200 VanDerWaalsContact C-N 3.35Å; V198-R200 PolarHBondContact O-N 3.43Å; R200-S203 PolarHBondContact O-N 3.4Å; R200-F204 PolarHBondContact O-N 2.89Å; R200-H260 PolarHBondContact NE-O 2.67Å; R200-H260 PolarHBondContact NH2-O 3.34Å; R200-F261 HydrophobicContact CB-CE1 4.36Å; R200-F261 HydrophobicContact CG-CD1 4.43Å; R200-F261 HydrophobicContact CG-CE1 3.92Å; R200-Q264 VanDerWaalsContact NH2-CB 3.32Å; R200-D265 IonicContact CZ-OD2 2.9Å; R200-D265 IonicContact NH1-OD2 3.26Å; R200-D265 PolarHBondContact NH1-OD2 3.06Å
201F96Very high93.8Very high0 Ų046.3 Ų46.30%025%0.25CC..Hα-helixtrans-65-38.7174.9-174.1-111.2000112.6V159 V168 V197 V198 S203 F204 I205 W222 L225 I238 F261V159-F201 HydrophobicContact CG2-CE1 3.79Å; V168-F201 HydrophobicContact CG1-CD1 4.01Å; V168-F201 HydrophobicContact CG2-CD1 3.81Å; V168-F201 HydrophobicContact CG2-CE1 4.23Å; V197-F201 PolarHBondContact O-N 2.82Å; V198-F201 PolarHBondContact O-N 3.38Å; F201-S203 PolarHBondContact O-N 3.25Å; F201-F204 WeakPolarHBondContact O-CB 3.21Å; F201-F204 PolarHBondContact O-N 2.86Å; F201-I205 HydrophobicContact CD1-CG2 4.36Å; F201-I205 HydrophobicContact CE1-CG2 3.92Å; F201-I205 HydrophobicContact CE2-CG2 4.17Å; F201-I205 HydrophobicContact CZ-CG2 3.81Å; F201-I205 PolarHBondContact O-N 2.72Å; F201-W222 HydrophobicContact CE2-CE3 4.4Å; F201-W222 HydrophobicContact CE2-CZ3 4.2Å; F201-W222 AromaticContact CZ-CE3 3.89Å; F201-W222 HydrophobicContact CZ-CE3 3.89Å; F201-W222 HydrophobicContact CZ-CZ3 4.13Å; F201-L225 HydrophobicContact CB-CD2 3.77Å; F201-L225 HydrophobicContact CD1-CB 3.82Å; F201-L225 HydrophobicContact CD1-CD1 4.26Å; F201-L225 HydrophobicContact CD1-CD2 3.77Å; F201-L225 HydrophobicContact CD1-CG 4.16Å; F201-L225 HydrophobicContact CD2-CD1 4.34Å; F201-L225 HydrophobicContact CE1-CB 3.87Å; F201-L225 HydrophobicContact CG-CD1 4.15Å; F201-L225 HydrophobicContact CG-CD2 3.89Å; F201-L225 HydrophobicContact CG-CG 4.41Å; F201-I238 HydrophobicContact CD2-CD1 4.3Å; F201-I238 HydrophobicContact CE2-CD1 3.94Å; F201-I238 HydrophobicContact CE2-CG1 4.02Å; F201-I238 HydrophobicContact CE2-CG2 3.88Å; F201-I238 HydrophobicContact CZ-CG2 3.97Å; F201-F261 HydrophobicContact CB-CE1 4.27Å; F201-F261 HydrophobicContact CB-CZ 4.1Å; F201-F261 HydrophobicContact CD2-CE1 4.48Å; F201-F261 HydrophobicContact CD2-CE2 4.05Å; F201-F261 AromaticContact CD2-CZ 3.63Å; F201-F261 HydrophobicContact CD2-CZ 3.63Å; F201-F261 HydrophobicContact CG-CZ 4.36Å
202R96.1Very high93.9Very high83 Ų8345.7 Ų45.731%0.31325%0.245SC..Hα-helixtrans-56.9-47.8171.6-174.2-167.5-173.2-109.13111.7E167 V168 V198 R199 F204 I205 L206E167-R202 WeakPolarHBondContact OE1-CD 3.3Å; E167-R202 IonicContact OE1-CZ 2.69Å; E167-R202 IonicContact OE1-NE 2.62Å; E167-R202 PolarHBondContact OE1-NE 2.88Å; E167-R202 IonicContact OE2-CZ 2.77Å; E167-R202 VanDerWaalsContact OE2-CZ 3.26Å; E167-R202 IonicContact OE2-NE 3.84Å; E167-R202 PolarHBondContact OE2-NE 3.44Å; E167-R202 IonicContact OE2-NH2 3.86Å; E167-R202 PolarHBondContact OE2-NH2 3.35Å; V168-R202 HydrophobicContact CB-CB 4.43Å; V168-R202 HydrophobicContact CG2-CB 4.02Å; V168-R202 HydrophobicContact CG2-CG 4.45Å; V198-R202 WeakPolarHBondContact O-CB 3.28Å; V198-R202 PolarHBondContact O-N 2.81Å; R199-R202 WeakPolarHBondContact O-CB 3.33Å; R199-R202 PolarHBondContact O-N 2.8Å; R202-F204 VanDerWaalsContact C-N 3.3Å; R202-F204 PolarHBondContact O-N 2.93Å; R202-I205 WeakPolarHBondContact O-CG1 3.34Å; R202-I205 PolarHBondContact O-N 3.32Å; R202-L206 HydrophobicContact CG-CD1 4.11Å; R202-L206 WeakPolarHBondContact O-CG 3.47Å; R202-L206 PolarHBondContact O-N 3.05Å
203S94.4Very high93.8Very high74 Ų7442.9 Ų42.952%0.51723%0.226SC..Hα-helixtrans-60.1-40.7175.8-65.30000112.2R199 R200 F201 L206 S207R199-S203 PolarHBondContact O-N 3.02Å; R199-S203 PolarHBondContact O-OG 3.45Å; R200-S203 PolarHBondContact O-N 3.4Å; F201-S203 PolarHBondContact O-N 3.25Å; S203-L206 PolarHBondContact O-N 3.41Å; S203-S207 PolarHBondContact O-N 3.37Å; S203-S207 VanDerWaalsContact O-N 3.16Å
204F95.3Very high93.7Very high16 Ų1642.1 Ų42.17%0.0722%0.223CC..Hα-helixtrans-60.5-49.2175.7-173.8-86.6000111.8R200 F201 R202 L206 S207 S208 W222 L253 Q256 L257 H260 F261R200-F204 PolarHBondContact O-N 2.89Å; F201-F204 WeakPolarHBondContact O-CB 3.21Å; F201-F204 PolarHBondContact O-N 2.86Å; R202-F204 VanDerWaalsContact C-N 3.3Å; R202-F204 PolarHBondContact O-N 2.93Å; F204-L206 VanDerWaalsContact C-N 3.33Å; F204-L206 PolarHBondContact O-N 2.95Å; F204-S207 PolarHBondContact O-N 2.81Å; F204-S207 PolarHBondContact O-OG 3.31Å; F204-S208 PolarHBondContact O-N 3.43Å; F204-W222 HydrophobicContact CD1-CH2 4.16Å; F204-W222 HydrophobicContact CD1-CZ2 4.21Å; F204-W222 AromaticContact CE1-CH2 3.67Å; F204-W222 HydrophobicContact CE1-CH2 3.67Å; F204-W222 AromaticContact CE1-CZ2 3.83Å; F204-W222 HydrophobicContact CE1-CZ2 3.83Å; F204-L253 HydrophobicContact CE1-CD1 4.32Å; F204-L253 HydrophobicContact CZ-CD1 4.34Å; F204-Q256 HydrophobicContact CE2-CB 4.39Å; F204-Q256 HydrophobicContact CZ-CB 4.18Å; F204-L257 HydrophobicContact CD1-CD2 4.11Å; F204-L257 HydrophobicContact CE1-CD2 3.53Å; F204-L257 HydrophobicContact CE2-CD2 4.28Å; F204-L257 HydrophobicContact CZ-CD2 3.62Å; F204-L257 HydrophobicContact CZ-CG 4.35Å; F204-H260 HydrophobicContact CD2-CB 3.92Å; F204-H260 AromaticContact CD2-CD2 3.69Å; F204-H260 AromaticContact CD2-CG 3.54Å; F204-H260 AromaticContact CD2-ND1 3.85Å; F204-H260 HydrophobicContact CE2-CB 3.94Å; F204-F261 HydrophobicContact CB-CE2 4.49Å; F204-F261 HydrophobicContact CB-CZ 4.04Å; F204-F261 HydrophobicContact CD2-CE2 4.31Å; F204-F261 HydrophobicContact CG-CE2 4.24Å; F204-F261 HydrophobicContact CG-CZ 4.28Å
205I95.3Very high93Very high3 Ų344.1 Ų44.12%0.01524%0.236CC..Hα-helixtrans-66.6-33.5-179.866.1165.1000112.5V159 P166 V168 F201 R202 S207 S208 W222V159-I205 HydrophobicContact CG1-CD1 3.64Å; P166-I205 HydrophobicContact CB-CD1 4.03Å; V168-I205 HydrophobicContact CG2-CD1 3.4Å; V168-I205 HydrophobicContact CG2-CG1 4.21Å; F201-I205 HydrophobicContact CD1-CG2 4.36Å; F201-I205 HydrophobicContact CE1-CG2 3.92Å; F201-I205 HydrophobicContact CE2-CG2 4.17Å; F201-I205 HydrophobicContact CZ-CG2 3.81Å; F201-I205 PolarHBondContact O-N 2.72Å; R202-I205 WeakPolarHBondContact O-CG1 3.34Å; R202-I205 PolarHBondContact O-N 3.32Å; I205-S207 VanDerWaalsContact C-N 3.27Å; I205-S207 PolarHBondContact O-N 3.48Å; I205-S208 WeakPolarHBondContact O-CB 3.15Å; I205-S208 PolarHBondContact O-N 2.8Å; I205-S208 VanDerWaalsContact O-N 3.07Å; I205-W222 HydrophobicContact CG2-CD2 3.84Å; I205-W222 HydrophobicContact CG2-CE3 4.36Å; I205-W222 HydrophobicContact CG2-CG 3.98Å; I205-W222 HydrophobicContact CG2-CZ2 4.45Å
206L94.8Very high92.4Very high73 Ų7347.7 Ų47.738%0.38226%0.256SS..Hα-helixtrans-67.8-29.2177.1-74.7170.7000112.2P166 R202 S203 F204 S208P166-L206 HydrophobicContact CB-CD2 4.07Å; P166-L206 HydrophobicContact CG-CD2 4.24Å; R202-L206 HydrophobicContact CG-CD1 4.11Å; R202-L206 WeakPolarHBondContact O-CG 3.47Å; R202-L206 PolarHBondContact O-N 3.05Å; S203-L206 PolarHBondContact O-N 3.41Å; F204-L206 VanDerWaalsContact C-N 3.33Å; F204-L206 PolarHBondContact O-N 2.95Å; L206-S208 VanDerWaalsContact C-N 3.28Å
207S93.6Very high92.1Very high98 Ų9850.8 Ų50.869%0.68527%0.274SS*.THydrogen-bonded Turntrans-81-8172.873.50000113.7S203 F204 I205S203-S207 PolarHBondContact O-N 3.37Å; S203-S207 VanDerWaalsContact O-N 3.16Å; F204-S207 PolarHBondContact O-N 2.81Å; F204-S207 PolarHBondContact O-OG 3.31Å; I205-S207 VanDerWaalsContact C-N 3.27Å; I205-S207 PolarHBondContact O-N 3.48Å
208S92.8Very high91.7Very high28 Ų2857.2 Ų57.220%0.19630%0.302CS..SBendtrans-91.6144.6-178.7-175.90000111.5F204 I205 L206 K210F204-S208 PolarHBondContact O-N 3.43Å; I205-S208 WeakPolarHBondContact O-CB 3.15Å; I205-S208 PolarHBondContact O-N 2.8Å; I205-S208 VanDerWaalsContact O-N 3.07Å; L206-S208 VanDerWaalsContact C-N 3.28Å; S208-K210 PolarHBondContact O-N 3.17Å; S208-K210 WeakPolarHBondContact OG-CB 3.4Å; S208-K210 PolarHBondContact OG-N 2.88Å; S208-K210 VanDerWaalsContact OG-N 3.16Å
209D91.5Very high91.4Very high139 Ų13963.2 Ų63.274%0.74333%0.33SS*.SBendtrans-72.3-6.7168.162-19.1000114.2
210K94.2Very high91.2Very high38 Ų3859.5 Ų59.517%0.16532%0.321CS..PPolyproline II helixtrans-91.2127-174.1-73.2166.6-162.364.20110.9S208 F221 W222 L245 L253S208-K210 PolarHBondContact O-N 3.17Å; S208-K210 WeakPolarHBondContact OG-CB 3.4Å; S208-K210 PolarHBondContact OG-N 2.88Å; S208-K210 VanDerWaalsContact OG-N 3.16Å; K210-F221 HydrophobicContact CB-CB 3.89Å; K210-F221 HydrophobicContact CB-CD1 3.75Å; K210-F221 HydrophobicContact CB-CG 3.96Å; K210-F221 HydrophobicContact CD-CD1 3.52Å; K210-F221 HydrophobicContact CD-CD2 4.19Å; K210-F221 HydrophobicContact CD-CE1 3.67Å; K210-F221 HydrophobicContact CD-CE2 4.35Å; K210-F221 HydrophobicContact CD-CG 3.82Å; K210-F221 HydrophobicContact CD-CZ 4.11Å; K210-F221 HydrophobicContact CG-CB 4.35Å; K210-F221 HydrophobicContact CG-CD1 4.07Å; K210-F221 HydrophobicContact CG-CG 4.11Å; K210-W222 PolarHBondContact O-NE1 2.94Å; K210-L245 HydrophobicContact CD-CD1 4.4Å; K210-L253 HydrophobicContact CD-CD2 4.49Å
211P93.6Very high91.4Very high58 Ų5857.7 Ų57.738%0.37732%0.315SS..PPolyproline II helixtrans-79.2154.1-177.331.1-34.7000112.2F221 W222P211-F221 PolarHBondContact O-N 3Å; P211-W222 PolarHBondContact O-N 3.24Å
212P94.6Very high91.4Very high5 Ų557.7 Ų57.73%0.03232%0.315CS..BIsolated β-bridgetrans-49.3143.1161.6-27.833.8000113V159 G160 Y161 P166V159-P212 HydrophobicContact CG1-CB 4.07Å; V159-P212 HydrophobicContact CG1-CG 4.08Å; G160-P212 WeakPolarHBondContact O-CG 3.32Å; Y161-P212 HydrophobicContact CD2-CB 4.31Å; Y161-P212 HydrophobicContact CD2-CG 4.4Å; Y161-P212 HydrophobicContact CE1-CG 4.15Å; Y161-P212 HydrophobicContact CE2-CB 3.96Å; Y161-P212 HydrophobicContact CE2-CG 4.03Å; P166-P212 HydrophobicContact CB-CG 3.81Å; P166-P212 HydrophobicContact CG-CG 4.18Å
213Y91.5Very high91.3Very high23 Ų2355.1 Ų55.19%0.0931%0.305CS..PPolyproline II helixtrans-73.1130176.6179.5-99.8000111.1V215 Q219 W222 R223 N241Y213-V215 HydrophobicContact CD1-CG2 4.13Å; Y213-V215 HydrophobicContact CE1-CB 4.38Å; Y213-V215 HydrophobicContact CE1-CG2 3.96Å; Y213-Q219 CarbonylContact C-O 3.59Å; Y213-Q219 WeakPolarHBondContact CA-O 3.45Å; Y213-Q219 WeakPolarHBondContact CD2-O 3.32Å; Y213-W222 VanDerWaalsContact CB-O 3.32Å; Y213-W222 WeakPolarHBondContact CB-O 3.37Å; Y213-W222 PolarHBondContact N-O 3.41Å; Y213-R223 HydrophobicContact CD1-CG 4.05Å; Y213-R223 HydrophobicContact CD2-CG 4.37Å; Y213-R223 HydrophobicContact CG-CG 3.77Å; Y213-N241 HydrophobicContact CD2-CB 3.8Å; Y213-N241 HydrophobicContact CE2-CB 4.05Å
214N87.1Confident91.4Very high56 Ų5653.6 Ų53.630%0.29929%0.291SS..BIsolated β-bridgetrans-102.9116.7174.9-176.9-41.2000109.5D216 T217 K218 Q219N214-D216 VanDerWaalsContact C-N 3.27Å; N214-D216 PolarHBondContact O-N 2.98Å; N214-D216 WeakPolarHBondContact OD1-CA 3.2Å; N214-D216 WeakPolarHBondContact OD1-CB 3.35Å; N214-D216 PolarHBondContact OD1-N 2.91Å; N214-T217 WeakPolarHBondContact CB-OG1 3.3Å; N214-T217 PolarHBondContact OD1-N 3.16Å; N214-T217 VanDerWaalsContact OD1-N 3.15Å; N214-K218 WeakPolarHBondContact O-CA 3.17Å; N214-K218 PolarHBondContact O-N 3.01Å; N214-Q219 PolarHBondContact N-O 3.16Å; N214-Q219 PolarHBondContact O-N 2.95Å
215V80.5Confident91.6Very high43 Ų4352.9 Ų52.926%0.26129%0.287SS..THydrogen-bonded Turntrans-65.2-30.5-177.7-178.40000112.4Y213Y213-V215 HydrophobicContact CD1-CG2 4.13Å; Y213-V215 HydrophobicContact CE1-CB 4.38Å; Y213-V215 HydrophobicContact CE1-CG2 3.96Å
216D81.2Confident91.7Very high100 Ų10053 Ų5354%0.53529%0.288SS..THydrogen-bonded Turntrans-77.6-43-175.9-55.7-40.1000111.4N214N214-D216 VanDerWaalsContact C-N 3.27Å; N214-D216 PolarHBondContact O-N 2.98Å; N214-D216 WeakPolarHBondContact OD1-CA 3.2Å; N214-D216 WeakPolarHBondContact OD1-CB 3.35Å; N214-D216 PolarHBondContact OD1-N 2.91Å
217T85.9Confident91.8Very high82 Ų8249.5 Ų49.550%0.50327%0.27SS..THydrogen-bonded Turntrans-86.7-13.717765.50000113N214 Q219N214-T217 WeakPolarHBondContact CB-OG1 3.3Å; N214-T217 PolarHBondContact OD1-N 3.16Å; N214-T217 VanDerWaalsContact OD1-N 3.15Å; T217-Q219 PolarHBondContact O-N 3.16Å; T217-Q219 WeakPolarHBondContact OG1-CB 3.45Å; T217-Q219 PolarHBondContact OG1-N 3.15Å
218K85.4Confident92Very high136 Ų13645 Ų4559%0.59124%0.238SC*.THydrogen-bonded Turntrans55.624.9-169.8-56.7-176.8177.3-177.10113.7N214N214-K218 WeakPolarHBondContact O-CA 3.17Å; N214-K218 PolarHBondContact O-N 3.01Å
219Q88.5Confident92Very high130 Ų13044.4 Ų44.461%0.60723%0.234SC*.BIsolated β-bridgetrans-106.7163.3179.6-62.3-57.8-39.200111.5Y213 N214 T217Y213-Q219 CarbonylContact C-O 3.59Å; Y213-Q219 WeakPolarHBondContact CA-O 3.45Å; Y213-Q219 WeakPolarHBondContact CD2-O 3.32Å; N214-Q219 PolarHBondContact N-O 3.16Å; N214-Q219 PolarHBondContact O-N 2.95Å; T217-Q219 PolarHBondContact O-N 3.16Å; T217-Q219 WeakPolarHBondContact OG1-CB 3.45Å; T217-Q219 PolarHBondContact OG1-N 3.15Å
220G91.7Very high92Very high19 Ų1938.3 Ų38.320%0.19620%0.2CC..  trans92.3-178.3-179.900000113.2N241G220-N241 PolarHBondContact O-ND2 3.17Å
221F95Very high91.3Very high8 Ų844 Ų444%0.03523%0.227CC..SBendtrans-122.6-59.6-160.4-177.7-98.1000113K210 P211 R223 V240 N241 L245 L253K210-F221 HydrophobicContact CB-CB 3.89Å; K210-F221 HydrophobicContact CB-CD1 3.75Å; K210-F221 HydrophobicContact CB-CG 3.96Å; K210-F221 HydrophobicContact CD-CD1 3.52Å; K210-F221 HydrophobicContact CD-CD2 4.19Å; K210-F221 HydrophobicContact CD-CE1 3.67Å; K210-F221 HydrophobicContact CD-CE2 4.35Å; K210-F221 HydrophobicContact CD-CG 3.82Å; K210-F221 HydrophobicContact CD-CZ 4.11Å; K210-F221 HydrophobicContact CG-CB 4.35Å; K210-F221 HydrophobicContact CG-CD1 4.07Å; K210-F221 HydrophobicContact CG-CG 4.11Å; P211-F221 PolarHBondContact O-N 3Å; F221-R223 PolarHBondContact O-N 3.19Å; F221-V240 HydrophobicContact CD1-CB 4.35Å; F221-V240 HydrophobicContact CD1-CG1 4.26Å; F221-V240 HydrophobicContact CD2-CB 4.44Å; F221-V240 HydrophobicContact CE1-CB 3.84Å; F221-V240 HydrophobicContact CE1-CG1 3.55Å; F221-V240 HydrophobicContact CE1-CG2 4.46Å; F221-V240 HydrophobicContact CE2-CB 3.92Å; F221-V240 HydrophobicContact CE2-CG1 4.49Å; F221-V240 HydrophobicContact CE2-CG2 3.98Å; F221-V240 HydrophobicContact CZ-CB 3.57Å; F221-V240 HydrophobicContact CZ-CG1 3.67Å; F221-V240 HydrophobicContact CZ-CG2 3.73Å; F221-V240 CarbonylContact O-C 3.52Å; F221-V240 VanDerWaalsContact O-CA 3.28Å; F221-V240 WeakPolarHBondContact O-CA 3.47Å; F221-N241 WeakPolarHBondContact CD2-O 3.49Å; F221-N241 PolarHBondContact O-N 3.05Å; F221-L245 HydrophobicContact CD2-CD1 3.79Å; F221-L245 HydrophobicContact CE2-CD1 3.41Å; F221-L245 VanDerWaalsContact CE2-CD1 3.41Å; F221-L245 HydrophobicContact CZ-CD1 4.2Å; F221-L253 HydrophobicContact CE1-CD2 3.48Å; F221-L253 VanDerWaalsContact CE1-CD2 3.48Å; F221-L253 HydrophobicContact CE2-CD2 4.27Å; F221-L253 HydrophobicContact CZ-CD2 3.17Å
222W96.2Very high90.5Very high0 Ų048.3 Ų48.30%024%0.244CC..EExtended strand (participates in β ladder)trans-75.3119.7-174.8-60.4113.3000111.4V159 F201 F204 I205 K210 P211 Y213 I238 V240 L253 L257V159-W222 HydrophobicContact CB-CB 3.99Å; V159-W222 HydrophobicContact CG1-CB 3.63Å; V159-W222 HydrophobicContact CG2-CB 4.2Å; F201-W222 HydrophobicContact CE2-CE3 4.4Å; F201-W222 HydrophobicContact CE2-CZ3 4.2Å; F201-W222 AromaticContact CZ-CE3 3.89Å; F201-W222 HydrophobicContact CZ-CE3 3.89Å; F201-W222 HydrophobicContact CZ-CZ3 4.13Å; F204-W222 HydrophobicContact CD1-CH2 4.16Å; F204-W222 HydrophobicContact CD1-CZ2 4.21Å; F204-W222 AromaticContact CE1-CH2 3.67Å; F204-W222 HydrophobicContact CE1-CH2 3.67Å; F204-W222 AromaticContact CE1-CZ2 3.83Å; F204-W222 HydrophobicContact CE1-CZ2 3.83Å; I205-W222 HydrophobicContact CG2-CD2 3.84Å; I205-W222 HydrophobicContact CG2-CE3 4.36Å; I205-W222 HydrophobicContact CG2-CG 3.98Å; I205-W222 HydrophobicContact CG2-CZ2 4.45Å; K210-W222 PolarHBondContact O-NE1 2.94Å; P211-W222 PolarHBondContact O-N 3.24Å; Y213-W222 VanDerWaalsContact CB-O 3.32Å; Y213-W222 WeakPolarHBondContact CB-O 3.37Å; Y213-W222 PolarHBondContact N-O 3.41Å; W222-I238 HydrophobicContact CE3-CG2 4.2Å; W222-I238 HydrophobicContact CZ3-CG2 3.68Å; W222-V240 HydrophobicContact CE3-CG1 3.7Å; W222-V240 HydrophobicContact CZ3-CG1 3.77Å; W222-L253 HydrophobicContact CH2-CD1 3.94Å; W222-L253 HydrophobicContact CH2-CD2 4.22Å; W222-L253 HydrophobicContact CZ2-CD1 4.24Å; W222-L257 HydrophobicContact CH2-CD2 4.27Å
223R94.9Very high90.2Very high28 Ų2849.4 Ų49.411%0.10625%0.25CC..EExtended strand (participates in β ladder)trans-103.4-55.9-177.9-59.8-176.772.1130.11.7112.5V159 Y213 F221 T239 N241 L279 V280V159-R223 PolarHBondContact N-O 2.91Å; Y213-R223 HydrophobicContact CD1-CG 4.05Å; Y213-R223 HydrophobicContact CD2-CG 4.37Å; Y213-R223 HydrophobicContact CG-CG 3.77Å; F221-R223 PolarHBondContact O-N 3.19Å; R223-T239 HydrophobicContact CB-CG2 4.32Å; R223-T239 WeakPolarHBondContact CB-O 3.41Å; R223-T239 PolarHBondContact N-O 3.37Å; R223-N241 HydrophobicContact CG-CB 4.37Å; R223-L279 VanDerWaalsContact CD-O 3.26Å; R223-L279 WeakPolarHBondContact CD-O 3.48Å; R223-L279 PolarHBondContact NH1-O 3.05Å; R223-V280 PolarHBondContact NH1-O 3.18Å
224M96.3Very high90.3Very high43 Ų4348.7 Ų48.721%0.21225%0.248CC..EExtended strand (participates in β ladder)trans-157150.1-166.4-168.7172.265.700111.6E156 F157 T239E156-M224 HydrophobicContact CB-CG 4.49Å; E156-M224 HydrophobicContact CB-SD 3.83Å; E156-M224 HydrophobicContact CG-CE 4.45Å; E156-M224 HydrophobicContact CG-SD 4.2Å; F157-M224 CarbonylContact O-C 3.57Å; F157-M224 VanDerWaalsContact O-CA 3.24Å; F157-M224 WeakPolarHBondContact O-CA 3.38Å; F157-M224 WeakPolarHBondContact O-CG 3.42Å; M224-T239 PolarHBondContact N-O 3.08Å; M224-T239 PolarHBondContact O-N 3.35Å
225L98.2Very high90.7Very high0 Ų046 Ų460%023%0.233CC..EExtended strand (participates in β ladder)trans-116.5117.8166175.772000108.3F157 V168 V197 V198 F201 V227 I236 I237 I238F157-L225 HydrophobicContact CB-CB 4.44Å; F157-L225 HydrophobicContact CD2-CD2 4.37Å; F157-L225 WeakPolarHBondContact CD2-O 3.44Å; F157-L225 PolarHBondContact N-O 3.24Å; F157-L225 PolarHBondContact O-N 3.21Å; V168-L225 HydrophobicContact CG1-CB 4.42Å; V168-L225 HydrophobicContact CG1-CD2 4.46Å; V197-L225 HydrophobicContact CG1-CD2 4.45Å; V198-L225 HydrophobicContact CG2-CD2 4.21Å; F201-L225 HydrophobicContact CB-CD2 3.77Å; F201-L225 HydrophobicContact CD1-CB 3.82Å; F201-L225 HydrophobicContact CD1-CD1 4.26Å; F201-L225 HydrophobicContact CD1-CD2 3.77Å; F201-L225 HydrophobicContact CD1-CG 4.16Å; F201-L225 HydrophobicContact CD2-CD1 4.34Å; F201-L225 HydrophobicContact CE1-CB 3.87Å; F201-L225 HydrophobicContact CG-CD1 4.15Å; F201-L225 HydrophobicContact CG-CD2 3.89Å; F201-L225 HydrophobicContact CG-CG 4.41Å; L225-V227 HydrophobicContact CD1-CG2 4.37Å; L225-V227 HydrophobicContact CD2-CG2 3.72Å; L225-V227 HydrophobicContact CG-CG2 3.75Å; L225-I236 HydrophobicContact CD1-CB 4.12Å; L225-I237 WeakPolarHBondContact CA-O 3.49Å; L225-I238 HydrophobicContact CD1-CG1 4.08Å
226T98.1Very high91.5Very high5 Ų544 Ų443%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-94132.3166.2-51.40000108.6C155 E156 I236 I237C155-T226 CarbonylContact O-C 3.57Å; C155-T226 WeakPolarHBondContact O-CA 3.46Å; E156-T226 HydrophobicContact CG-CG2 3.86Å; T226-I236 CarbonylContact O-C 3.02Å; T226-I236 VanDerWaalsContact O-CA 3.28Å; T226-I236 WeakPolarHBondContact O-CA 3.2Å; T226-I237 HydrophobicContact CG2-CD1 4.35Å; T226-I237 PolarHBondContact N-O 3.26Å; T226-I237 PolarHBondContact O-N 3.17Å
227V97.6Very high92.4Very high0 Ų039.4 Ų39.40%020%0.196CC..EExtended strand (participates in β ladder)trans-123.6125.1174.3-172.10000108.9K154 C155 F157 M194 V197 L225 C229 I234 I236K154-V227 WeakPolarHBondContact CA-O 3.47Å; C155-V227 PolarHBondContact N-O 2.94Å; C155-V227 PolarHBondContact O-N 3.01Å; F157-V227 HydrophobicContact CD2-CG2 4.01Å; F157-V227 HydrophobicContact CE2-CB 4.1Å; F157-V227 HydrophobicContact CE2-CG2 3.77Å; M194-V227 HydrophobicContact CE-CB 4.37Å; M194-V227 HydrophobicContact CE-CG1 4.28Å; M194-V227 HydrophobicContact CG-CB 3.98Å; M194-V227 HydrophobicContact CG-CG1 3.87Å; M194-V227 HydrophobicContact SD-CB 4.41Å; V197-V227 HydrophobicContact CB-CG1 4.5Å; V197-V227 HydrophobicContact CG1-CG1 4.18Å; V197-V227 HydrophobicContact CG1-CG2 3.84Å; L225-V227 HydrophobicContact CD1-CG2 4.37Å; L225-V227 HydrophobicContact CD2-CG2 3.72Å; L225-V227 HydrophobicContact CG-CG2 3.75Å; V227-C229 HydrophobicContact CG1-CB 4.45Å; V227-I234 HydrophobicContact CG1-CG2 4.02Å; V227-I236 HydrophobicContact CG1-CG2 4.32Å; V227-I236 HydrophobicContact CG2-CG2 4.25Å
228R96.7Very high92.9Very high5 Ų535.5 Ų35.52%0.01917%0.172CC..EExtended strand (participates in β ladder)trans-105.6125162.6-64-178.3-174.4-118.17.8108N153 K154 Y230 I234 L235 P310 A312N153-R228 CarbonylContact O-C 3.53Å; N153-R228 VanDerWaalsContact O-CA 3.24Å; N153-R228 WeakPolarHBondContact O-CA 3.42Å; K154-R228 HydrophobicContact CB-CG 4.29Å; K154-R228 HydrophobicContact CG-CG 4.03Å; R228-Y230 HydrophobicContact CB-CE2 4.02Å; R228-I234 CarbonylContact O-C 3.57Å; R228-I234 VanDerWaalsContact O-CA 3.29Å; R228-I234 WeakPolarHBondContact O-CA 3.37Å; R228-L235 HydrophobicContact CB-CB 4.35Å; R228-L235 PolarHBondContact N-O 2.89Å; R228-L235 PolarHBondContact O-N 3.35Å; R228-P310 PolarHBondContact NH2-O 3.14Å; R228-A312 VanDerWaalsContact CZ-O 3.22Å; R228-A312 PolarHBondContact NH1-O 3.28Å; R228-A312 PolarHBondContact NH2-O 2.88Å
229C93.8Very high93.5Very high15 Ų1529 Ų2910%0.10114%0.144CC..EExtended strand (participates in β ladder)trans-130.9104.9-173.9-177.70000108.8N153 M194 V227 I234N153-C229 VanDerWaalsContact CB-O 3.28Å; N153-C229 WeakPolarHBondContact CB-O 3.36Å; N153-C229 PolarHBondContact O-N 3.05Å; M194-C229 HydrophobicContact CB-CB 4.39Å; M194-C229 HydrophobicContact CE-CB 3.67Å; V227-C229 HydrophobicContact CG1-CB 4.45Å; C229-I234 HydrophobicContact CB-CG1 4.4Å
230Y91.3Very high93.9Very high10 Ų1022.9 Ų22.94%0.03912%0.115CC..  trans-110.1174.9174.9-53.2-58.4000109.4N153 R228 M232 D233 V297 Y298 E299 I308 F314N153-Y230 HydrophobicContact CB-CD1 3.92Å; N153-Y230 HydrophobicContact CB-CE1 3.82Å; R228-Y230 HydrophobicContact CB-CE2 4.02Å; Y230-M232 PolarHBondContact O-N 3.36Å; Y230-M232 VanDerWaalsContact O-N 3.12Å; Y230-D233 PolarHBondContact N-O 3.32Å; Y230-V297 HydrophobicContact CD2-CB 4Å; Y230-V297 HydrophobicContact CD2-CG2 3.76Å; Y230-V297 HydrophobicContact CE2-CB 4.19Å; Y230-V297 HydrophobicContact CE2-CG2 3.43Å; Y230-V297 VanDerWaalsContact CE2-CG2 3.43Å; Y230-Y298 WeakPolarHBondContact CB-O 3.32Å; Y230-E299 HydrophobicContact CD1-CB 3.71Å; Y230-E299 HydrophobicContact CD1-CG 3.74Å; Y230-E299 WeakPolarHBondContact CD1-OE2 3.37Å; Y230-E299 HydrophobicContact CD2-CB 4.35Å; Y230-E299 HydrophobicContact CE1-CB 3.99Å; Y230-E299 HydrophobicContact CE1-CG 4.1Å; Y230-E299 HydrophobicContact CG-CB 3.88Å; Y230-E299 HydrophobicContact CG-CG 4.31Å; Y230-I308 HydrophobicContact CE1-CD1 4.2Å; Y230-I308 HydrophobicContact CE2-CD1 3.8Å; Y230-I308 VanDerWaalsContact OH-CD1 3.3Å; Y230-I308 WeakPolarHBondContact OH-CD1 3.39Å; Y230-F314 HydrophobicContact CE1-CD1 4.3Å
231Q78.7Confident94Very high157 Ų15722.1 Ų22.173%0.73411%0.107SC*.SBendtrans-55.1-37.3-169.7-171.7173.27.400114
232M77.3Confident93.8Very high150 Ų15022.5 Ų22.574%0.73911%0.11SC*.SBendtrans-122.6-6.3-176.9-62.7-59.5-6300114Y230Y230-M232 PolarHBondContact O-N 3.36Å; Y230-M232 VanDerWaalsContact O-N 3.12Å
233D88.6Confident93.5Very high28 Ų2825.8 Ų25.815%0.1513%0.133CC..  trans-134128.8-169.2-83.3-38.3000111.1Y230 S272 V297 Y298Y230-D233 PolarHBondContact N-O 3.32Å; D233-S272 WeakPolarHBondContact OD1-CB 3.21Å; D233-S272 PolarHBondContact OD1-OG 3.28Å; D233-V297 HydrophobicContact CB-CB 3.72Å; D233-V297 HydrophobicContact CB-CG1 3.65Å; D233-Y298 PolarHBondContact OD2-N 3.46Å
234I93.7Very high93Very high8 Ų828.5 Ų28.54%0.04117%0.17CC..EExtended strand (participates in β ladder)trans-120.2123.4171.1-59.7174.8000109.3M193 V197 V227 R228 C229 I236 F269 R270 I271 S272 S273M193-I234 HydrophobicContact CB-CD1 4.45Å; V197-I234 HydrophobicContact CG2-CD1 4.19Å; V197-I234 HydrophobicContact CG2-CG2 4.12Å; V227-I234 HydrophobicContact CG1-CG2 4.02Å; R228-I234 CarbonylContact O-C 3.57Å; R228-I234 VanDerWaalsContact O-CA 3.29Å; R228-I234 WeakPolarHBondContact O-CA 3.37Å; C229-I234 HydrophobicContact CB-CG1 4.4Å; I234-I236 HydrophobicContact CG2-CG2 4.16Å; I234-F269 HydrophobicContact CD1-CB 3.88Å; I234-F269 HydrophobicContact CD1-CD2 3.94Å; I234-F269 HydrophobicContact CD1-CG 4.23Å; I234-R270 WeakPolarHBondContact CB-O 3.25Å; I234-I271 HydrophobicContact CG2-CG1 4.22Å; I234-I271 CarbonylContact O-C 3.57Å; I234-S272 PolarHBondContact O-N 3.12Å; I234-S273 PolarHBondContact O-N 2.84Å
235L96.2Very high92.6Very high0 Ų029.3 Ų29.30%018%0.175CC..EExtended strand (participates in β ladder)trans-111.2129.2171.7177.7156000109.2R228 I237 Y275 V297 P310R228-L235 HydrophobicContact CB-CB 4.35Å; R228-L235 PolarHBondContact N-O 2.89Å; R228-L235 PolarHBondContact O-N 3.35Å; L235-I237 HydrophobicContact CD2-CD1 4.02Å; L235-I237 HydrophobicContact CD2-CG1 3.56Å; L235-Y275 HydrophobicContact CD1-CD2 3.97Å; L235-Y275 HydrophobicContact CD1-CE2 3.75Å; L235-Y275 HydrophobicContact CD2-CD2 4.27Å; L235-Y275 HydrophobicContact CG-CD2 4.02Å; L235-Y275 HydrophobicContact CG-CE2 4.3Å; L235-V297 HydrophobicContact CB-CG1 3.61Å; L235-V297 HydrophobicContact CB-CG2 4.06Å; L235-V297 HydrophobicContact CD1-CG1 4.29Å; L235-V297 HydrophobicContact CD1-CG2 4.2Å; L235-P310 HydrophobicContact CD1-CB 4.38Å; L235-P310 HydrophobicContact CD2-CB 4.41Å
236I97.4Very high92.3Very high0 Ų033.9 Ų33.90%020%0.199CC..EExtended strand (participates in β ladder)trans-114.1143173.365.8168.4000111V197 L225 T226 V227 I234 I238 F261 I271 S273 V274 Y275V197-I236 HydrophobicContact CG1-CG2 3.67Å; L225-I236 HydrophobicContact CD1-CB 4.12Å; T226-I236 CarbonylContact O-C 3.02Å; T226-I236 VanDerWaalsContact O-CA 3.28Å; T226-I236 WeakPolarHBondContact O-CA 3.2Å; V227-I236 HydrophobicContact CG1-CG2 4.32Å; V227-I236 HydrophobicContact CG2-CG2 4.25Å; I234-I236 HydrophobicContact CG2-CG2 4.16Å; I236-I238 HydrophobicContact CD1-CD1 4.05Å; I236-I238 HydrophobicContact CD1-CG1 4.32Å; I236-F261 HydrophobicContact CD1-CB 4.04Å; I236-F261 HydrophobicContact CD1-CD1 4.03Å; I236-F261 HydrophobicContact CD1-CD2 4.15Å; I236-F261 HydrophobicContact CD1-CG 3.79Å; I236-I271 HydrophobicContact CD1-CD1 4.15Å; I236-I271 HydrophobicContact CD1-CG2 4.38Å; I236-I271 HydrophobicContact CG1-CG2 4.06Å; I236-I271 HydrophobicContact CG2-CD1 4.44Å; I236-I271 HydrophobicContact CG2-CG2 4.48Å; I236-S273 PolarHBondContact N-O 3.03Å; I236-V274 HydrophobicContact CD1-CG1 4.23Å; I236-V274 HydrophobicContact CD1-CG2 4.2Å; I236-V274 HydrophobicContact CG1-CB 4.39Å; I236-V274 HydrophobicContact CG1-CG1 4.26Å; I236-V274 HydrophobicContact CG1-CG2 4.14Å; I236-Y275 WeakPolarHBondContact O-CB 3.22Å; I236-Y275 PolarHBondContact O-N 3.16Å
237I98.1Very high91.9Very high3 Ų342 Ų422%0.01524%0.237CC..EExtended strand (participates in β ladder)trans-122.5119.7171.6-46.1175.4000107.4L225 T226 L235 Q277 Y288 P310L225-I237 WeakPolarHBondContact CA-O 3.49Å; T226-I237 HydrophobicContact CG2-CD1 4.35Å; T226-I237 PolarHBondContact N-O 3.26Å; T226-I237 PolarHBondContact O-N 3.17Å; L235-I237 HydrophobicContact CD2-CD1 4.02Å; L235-I237 HydrophobicContact CD2-CG1 3.56Å; I237-Q277 HydrophobicContact CG2-CB 3.86Å; I237-Y288 HydrophobicContact CD1-CD1 3.96Å; I237-Y288 HydrophobicContact CD1-CE1 3.7Å; I237-Y288 HydrophobicContact CG2-CD1 3.84Å; I237-Y288 HydrophobicContact CG2-CE1 4Å; I237-P310 HydrophobicContact CD1-CB 3.83Å
238I98.2Very high91.8Very high0 Ų047.2 Ų47.20%027%0.269CS..EExtended strand (participates in β ladder)trans-101.2107.6179.9-60.5174.5000107.5F201 W222 L225 I236 V240 L257 F261 V274 Y275 Q277F201-I238 HydrophobicContact CD2-CD1 4.3Å; F201-I238 HydrophobicContact CE2-CD1 3.94Å; F201-I238 HydrophobicContact CE2-CG1 4.02Å; F201-I238 HydrophobicContact CE2-CG2 3.88Å; F201-I238 HydrophobicContact CZ-CG2 3.97Å; W222-I238 HydrophobicContact CE3-CG2 4.2Å; W222-I238 HydrophobicContact CZ3-CG2 3.68Å; L225-I238 HydrophobicContact CD1-CG1 4.08Å; I236-I238 HydrophobicContact CD1-CD1 4.05Å; I236-I238 HydrophobicContact CD1-CG1 4.32Å; I238-V240 HydrophobicContact CG2-CG1 4.01Å; I238-L257 HydrophobicContact CD1-CB 4.49Å; I238-L257 HydrophobicContact CD1-CD1 4Å; I238-L257 HydrophobicContact CD1-CD2 3.64Å; I238-L257 HydrophobicContact CD1-CG 4.25Å; I238-L257 HydrophobicContact CG2-CD1 4.32Å; I238-F261 HydrophobicContact CD1-CD2 4.19Å; I238-F261 HydrophobicContact CD1-CE2 4.09Å; I238-V274 HydrophobicContact CD1-CG1 4.49Å; I238-Y275 PolarHBondContact N-O 3.2Å; I238-Q277 PolarHBondContact O-N 3.04Å
239T97.4Very high91.6Very high1 Ų149.7 Ų49.71%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-95.8127.5-178.9-45.40000110.2R223 M224 Q277 L279R223-T239 HydrophobicContact CB-CG2 4.32Å; R223-T239 WeakPolarHBondContact CB-O 3.41Å; R223-T239 PolarHBondContact N-O 3.37Å; M224-T239 PolarHBondContact N-O 3.08Å; M224-T239 PolarHBondContact O-N 3.35Å; T239-Q277 CarbonylContact C-O 3.41Å; T239-Q277 VanDerWaalsContact CA-O 3.28Å; T239-Q277 WeakPolarHBondContact CA-O 3.23Å; T239-Q277 HydrophobicContact CG2-CB 4.36Å; T239-Q277 HydrophobicContact CG2-CG 4.17Å; T239-Q277 PolarHBondContact OG1-OE1 3.27Å; T239-L279 HydrophobicContact CG2-CB 3.64Å; T239-L279 HydrophobicContact CG2-CD2 4.02Å; T239-L279 HydrophobicContact CG2-CG 4.49Å
240V95.9Very high91.6Very high0 Ų049.6 Ų49.60%029%0.285CS..EExtended strand (participates in β ladder)trans-134.8161.1-176.3-53.60000112.3F221 W222 I238 Y276 Q277 L279F221-V240 HydrophobicContact CD1-CB 4.35Å; F221-V240 HydrophobicContact CD1-CG1 4.26Å; F221-V240 HydrophobicContact CD2-CB 4.44Å; F221-V240 HydrophobicContact CE1-CB 3.84Å; F221-V240 HydrophobicContact CE1-CG1 3.55Å; F221-V240 HydrophobicContact CE1-CG2 4.46Å; F221-V240 HydrophobicContact CE2-CB 3.92Å; F221-V240 HydrophobicContact CE2-CG1 4.49Å; F221-V240 HydrophobicContact CE2-CG2 3.98Å; F221-V240 HydrophobicContact CZ-CB 3.57Å; F221-V240 HydrophobicContact CZ-CG1 3.67Å; F221-V240 HydrophobicContact CZ-CG2 3.73Å; F221-V240 CarbonylContact O-C 3.52Å; F221-V240 VanDerWaalsContact O-CA 3.28Å; F221-V240 WeakPolarHBondContact O-CA 3.47Å; W222-V240 HydrophobicContact CE3-CG1 3.7Å; W222-V240 HydrophobicContact CZ3-CG1 3.77Å; I238-V240 HydrophobicContact CG2-CG1 4.01Å; V240-Y276 HydrophobicContact CB-CE2 4.48Å; V240-Y276 HydrophobicContact CG1-CE2 4.25Å; V240-Y276 HydrophobicContact CG2-CD2 4.36Å; V240-Y276 HydrophobicContact CG2-CE1 4.39Å; V240-Y276 HydrophobicContact CG2-CE2 3.38Å; V240-Y276 WeakPolarHBondContact CG2-OH 3.5Å; V240-Q277 PolarHBondContact N-O 2.96Å; V240-L279 PolarHBondContact O-N 2.83Å
241N94.4Very high91.8Very high4 Ų451.6 Ų51.62%0.02130%0.304CS..  trans-105.3100.7164.717333.2000108.5Y213 G220 F221 R223 S243Y213-N241 HydrophobicContact CD2-CB 3.8Å; Y213-N241 HydrophobicContact CE2-CB 4.05Å; G220-N241 PolarHBondContact O-ND2 3.17Å; F221-N241 WeakPolarHBondContact CD2-O 3.49Å; F221-N241 PolarHBondContact O-N 3.05Å; R223-N241 HydrophobicContact CG-CB 4.37Å; N241-S243 PolarHBondContact O-N 3.47Å; N241-S243 WeakPolarHBondContact OD1-CB 3.33Å; N241-S243 PolarHBondContact OD1-N 2.94Å; N241-S243 PolarHBondContact OD1-OG 3.16Å
242P91.7Very high92.6Very high16 Ų1650.8 Ų50.810%0.10430%0.298CS..  trans-78.47-177.335.4-38.4000113.9G244 L245 V250 E278 V280P242-G244 PolarHBondContact O-N 2.8Å; P242-L245 PolarHBondContact O-N 3.29Å; P242-V250 HydrophobicContact CB-CG2 4.38Å; P242-E278 HydrophobicContact CG-CB 4.18Å; P242-E278 HydrophobicContact CG-CG 3.98Å; P242-V280 HydrophobicContact CG-CG2 4.45Å
243S88.6Confident93.4Very high69 Ų6943.8 Ų43.848%0.48326%0.263SS..THydrogen-bonded Turntrans-51.8122.2-179.5-63.90000111.6N241N241-S243 PolarHBondContact O-N 3.47Å; N241-S243 WeakPolarHBondContact OD1-CB 3.33Å; N241-S243 PolarHBondContact OD1-N 2.94Å; N241-S243 PolarHBondContact OD1-OG 3.16Å
244G85.1Confident93.7Very high85 Ų8544.2 Ų44.288%0.87626%0.264SS*.THydrogen-bonded Turntrans91.2-2.9179.700000115.5P242P242-G244 PolarHBondContact O-N 2.8Å
245L88Confident93.8Very high60 Ų6052.4 Ų52.431%0.31429%0.294SS..  trans-95.8142.3171.3-62.5-178.9000111.2K210 F221 P242 C249 V250K210-L245 HydrophobicContact CD-CD1 4.4Å; F221-L245 HydrophobicContact CD2-CD1 3.79Å; F221-L245 HydrophobicContact CE2-CD1 3.41Å; F221-L245 VanDerWaalsContact CE2-CD1 3.41Å; F221-L245 HydrophobicContact CZ-CD1 4.2Å; P242-L245 PolarHBondContact O-N 3.29Å; L245-C249 HydrophobicContact CB-CB 4.36Å; L245-C249 HydrophobicContact CD2-CB 4.32Å; L245-V250 HydrophobicContact CB-CG2 3.93Å; L245-V250 HydrophobicContact CD1-CG2 4.43Å
246N91.4Very high93.8Very high95 Ų9556.3 Ų56.351%0.50831%0.313SS..  trans-83.1164.1168.765.736.3000111.4T248 C249 V250N246-T248 VanDerWaalsContact C-N 3.27Å; N246-T248 PolarHBondContact O-N 3.18Å; N246-T248 PolarHBondContact OD1-N 3.41Å; N246-C249 WeakPolarHBondContact O-CB 3.26Å; N246-C249 PolarHBondContact O-N 3.5Å; N246-C249 VanDerWaalsContact O-N 3.09Å; N246-C249 WeakPolarHBondContact OD1-CB 3.49Å; N246-C249 PolarHBondContact OD1-N 3.01Å; N246-C249 PolarHBondContact OD1-SG 2.9Å; N246-V250 PolarHBondContact O-N 2.99Å; N246-V250 VanDerWaalsContact O-N 3.07Å
247E90.8Very high93.7Very high175 Ų17556.3 Ų56.382%0.81831%0.313SS*.Hα-helixtrans-56.4-38.6-177.8-66.2-177.6173.900113C249 V250 A251E247-C249 PolarHBondContact O-N 3.03Å; E247-V250 PolarHBondContact O-N 3.22Å; E247-A251 WeakPolarHBondContact O-CB 3.24Å; E247-A251 PolarHBondContact O-N 3.39Å
248T94Very high93.5Very high111 Ų11157 Ų5768%0.68132%0.317SS*.Hα-helixtrans-62.1-42.1177.6-51.20000112N246 A251 K252N246-T248 VanDerWaalsContact C-N 3.27Å; N246-T248 PolarHBondContact O-N 3.18Å; N246-T248 PolarHBondContact OD1-N 3.41Å; T248-A251 PolarHBondContact O-N 3.23Å; T248-K252 WeakPolarHBondContact O-CB 3.45Å; T248-K252 PolarHBondContact O-N 3.16Å
249C92.7Very high93.2Very high56 Ų5660.5 Ų60.538%0.37834%0.336SS..Hα-helixtrans-66.6-41.4176.6-68.60000111.4L245 N246 E247 K252 L253L245-C249 HydrophobicContact CB-CB 4.36Å; L245-C249 HydrophobicContact CD2-CB 4.32Å; N246-C249 WeakPolarHBondContact O-CB 3.26Å; N246-C249 PolarHBondContact O-N 3.5Å; N246-C249 VanDerWaalsContact O-N 3.09Å; N246-C249 WeakPolarHBondContact OD1-CB 3.49Å; N246-C249 PolarHBondContact OD1-N 3.01Å; N246-C249 PolarHBondContact OD1-SG 2.9Å; E247-C249 PolarHBondContact O-N 3.03Å; C249-K252 PolarHBondContact O-N 2.88Å; C249-L253 WeakPolarHBondContact O-CB 3.23Å; C249-L253 PolarHBondContact O-N 3.36Å
250V93.5Very high92.9Very high14 Ų1462.6 Ų62.69%0.08535%0.345CS..Hα-helixtrans-64.1-45.3176.2174.40000110.7P242 L245 N246 E247 K252 L253 K254 Y276P242-V250 HydrophobicContact CB-CG2 4.38Å; L245-V250 HydrophobicContact CB-CG2 3.93Å; L245-V250 HydrophobicContact CD1-CG2 4.43Å; N246-V250 PolarHBondContact O-N 2.99Å; N246-V250 VanDerWaalsContact O-N 3.07Å; E247-V250 PolarHBondContact O-N 3.22Å; V250-K252 PolarHBondContact O-N 3.22Å; V250-L253 WeakPolarHBondContact O-CB 3.21Å; V250-L253 PolarHBondContact O-N 3.03Å; V250-K254 HydrophobicContact CG1-CD 4.09Å; V250-K254 HydrophobicContact CG1-CG 4.41Å; V250-K254 WeakPolarHBondContact O-CG 3.29Å; V250-K254 PolarHBondContact O-N 3.13Å; V250-Y276 HydrophobicContact CG1-CE1 4.45Å
251A95.6Very high92.7Very high52 Ų5262.9 Ų62.943%0.4335%0.346SS..Hα-helixtrans-62-42.5177.500000112.4E247 T248 K254 R255E247-A251 WeakPolarHBondContact O-CB 3.24Å; E247-A251 PolarHBondContact O-N 3.39Å; T248-A251 PolarHBondContact O-N 3.23Å; A251-K254 PolarHBondContact O-N 2.89Å; A251-R255 PolarHBondContact O-N 2.75Å; A251-R255 VanDerWaalsContact O-N 3.09Å
252K95.5Very high92.2Very high140 Ų14064.1 Ų64.161%0.60935%0.353SS*.Hα-helixtrans-60.4-45.5174.2-177.1179.6178.2-178.70111.2T248 C249 V250 R255 Q256T248-K252 WeakPolarHBondContact O-CB 3.45Å; T248-K252 PolarHBondContact O-N 3.16Å; C249-K252 PolarHBondContact O-N 2.88Å; V250-K252 PolarHBondContact O-N 3.22Å; K252-R255 PolarHBondContact O-N 2.97Å; K252-Q256 WeakPolarHBondContact O-CG 3.45Å; K252-Q256 PolarHBondContact O-N 3.12Å
253L94.8Very high91.5Very high2 Ų270.9 Ų70.91%0.0138%0.377CS..Hα-helixtrans-62.1-46.9177.9179.768.4000111.7F204 K210 F221 W222 C249 V250 R255 Q256 L257F204-L253 HydrophobicContact CE1-CD1 4.32Å; F204-L253 HydrophobicContact CZ-CD1 4.34Å; K210-L253 HydrophobicContact CD-CD2 4.49Å; F221-L253 HydrophobicContact CE1-CD2 3.48Å; F221-L253 VanDerWaalsContact CE1-CD2 3.48Å; F221-L253 HydrophobicContact CE2-CD2 4.27Å; F221-L253 HydrophobicContact CZ-CD2 3.17Å; W222-L253 HydrophobicContact CH2-CD1 3.94Å; W222-L253 HydrophobicContact CH2-CD2 4.22Å; W222-L253 HydrophobicContact CZ2-CD1 4.24Å; C249-L253 WeakPolarHBondContact O-CB 3.23Å; C249-L253 PolarHBondContact O-N 3.36Å; V250-L253 WeakPolarHBondContact O-CB 3.21Å; V250-L253 PolarHBondContact O-N 3.03Å; L253-R255 VanDerWaalsContact C-N 3.27Å; L253-R255 PolarHBondContact O-N 3.03Å; L253-Q256 WeakPolarHBondContact O-CB 3.12Å; L253-Q256 PolarHBondContact O-N 2.89Å; L253-Q256 VanDerWaalsContact O-N 3.09Å; L253-L257 HydrophobicContact CG-CD1 4.32Å; L253-L257 HydrophobicContact CG-CG 4.45Å; L253-L257 WeakPolarHBondContact O-CG 3.22Å; L253-L257 PolarHBondContact O-N 2.98Å
254K96.2Very high90.3Very high38 Ų3873.6 Ų73.617%0.16538%0.383CS..Hα-helixtrans-55.5-43.4177.6-73.9173.9173.8-175.80111.5V250 A251 L257 V258 Y276 E289 L291V250-K254 HydrophobicContact CG1-CD 4.09Å; V250-K254 HydrophobicContact CG1-CG 4.41Å; V250-K254 WeakPolarHBondContact O-CG 3.29Å; V250-K254 PolarHBondContact O-N 3.13Å; A251-K254 PolarHBondContact O-N 2.89Å; K254-L257 PolarHBondContact O-N 2.86Å; K254-V258 WeakPolarHBondContact O-CG2 3.2Å; K254-V258 PolarHBondContact O-N 2.83Å; K254-V258 VanDerWaalsContact O-N 3.09Å; K254-Y276 VanDerWaalsContact CE-CD1 3.42Å; K254-Y276 VanDerWaalsContact CE-CE1 3.42Å; K254-Y276 HydrophobicContact CG-CD2 4.35Å; K254-Y276 HydrophobicContact CG-CG 4.4Å; K254-E289 WeakPolarHBondContact CE-OE1 3.3Å; K254-E289 WeakPolarHBondContact CE-OE2 3.43Å; K254-E289 IonicContact NZ-OE1 2.77Å; K254-E289 PolarHBondContact NZ-OE1 3.18Å; K254-E289 IonicContact NZ-OE2 2.6Å; K254-E289 PolarHBondContact NZ-OE2 3.04Å; K254-L291 HydrophobicContact CB-CD1 4.01Å; K254-L291 HydrophobicContact CB-CD2 3.99Å; K254-L291 HydrophobicContact CD-CD2 3.83Å; K254-L291 HydrophobicContact CG-CD1 4.09Å; K254-L291 HydrophobicContact CG-CD2 3.78Å
255R95.5Very high89.1Confident179 Ų17970.8 Ų70.868%0.67535%0.348SS*.Hα-helixtrans-61.5-46.4174.7-168.1177.4-61.6168.41.8112.1A251 K252 L253 L257 V258 D259A251-R255 PolarHBondContact O-N 2.75Å; A251-R255 VanDerWaalsContact O-N 3.09Å; K252-R255 PolarHBondContact O-N 2.97Å; L253-R255 VanDerWaalsContact C-N 3.27Å; L253-R255 PolarHBondContact O-N 3.03Å; R255-L257 VanDerWaalsContact C-N 3.28Å; R255-L257 PolarHBondContact O-N 3.18Å; R255-V258 PolarHBondContact O-N 3.43Å; R255-D259 VanDerWaalsContact O-CG 3.25Å; R255-D259 PolarHBondContact O-N 3.3Å
256Q94.5Very high87.7Confident83 Ų8374.2 Ų74.239%0.38837%0.365SS..Hα-helixtrans-58.9-38.8176.3-70.6175.7-37.500112.6F204 K252 L253 H260F204-Q256 HydrophobicContact CE2-CB 4.39Å; F204-Q256 HydrophobicContact CZ-CB 4.18Å; K252-Q256 WeakPolarHBondContact O-CG 3.45Å; K252-Q256 PolarHBondContact O-N 3.12Å; L253-Q256 WeakPolarHBondContact O-CB 3.12Å; L253-Q256 PolarHBondContact O-N 2.89Å; L253-Q256 VanDerWaalsContact O-N 3.09Å; Q256-H260 WeakPolarHBondContact O-CB 3.43Å; Q256-H260 PolarHBondContact O-N 3.35Å
257L95.4Very high86Confident0 Ų077.7 Ų77.70%038%0.382CS..Hα-helixtrans-64-46.6176.2-68.4175.3000111.4F204 W222 I238 L253 K254 R255 H260 F261 Y276 L291F204-L257 HydrophobicContact CD1-CD2 4.11Å; F204-L257 HydrophobicContact CE1-CD2 3.53Å; F204-L257 HydrophobicContact CE2-CD2 4.28Å; F204-L257 HydrophobicContact CZ-CD2 3.62Å; F204-L257 HydrophobicContact CZ-CG 4.35Å; W222-L257 HydrophobicContact CH2-CD2 4.27Å; I238-L257 HydrophobicContact CD1-CB 4.49Å; I238-L257 HydrophobicContact CD1-CD1 4Å; I238-L257 HydrophobicContact CD1-CD2 3.64Å; I238-L257 HydrophobicContact CD1-CG 4.25Å; I238-L257 HydrophobicContact CG2-CD1 4.32Å; L253-L257 HydrophobicContact CG-CD1 4.32Å; L253-L257 HydrophobicContact CG-CG 4.45Å; L253-L257 WeakPolarHBondContact O-CG 3.22Å; L253-L257 PolarHBondContact O-N 2.98Å; K254-L257 PolarHBondContact O-N 2.86Å; R255-L257 VanDerWaalsContact C-N 3.28Å; R255-L257 PolarHBondContact O-N 3.18Å; L257-H260 PolarHBondContact O-N 3.1Å; L257-F261 HydrophobicContact CD2-CD2 4.27Å; L257-F261 HydrophobicContact CD2-CE2 3.87Å; L257-F261 WeakPolarHBondContact O-CB 3.5Å; L257-F261 VanDerWaalsContact O-CD2 3.25Å; L257-F261 WeakPolarHBondContact O-CD2 3.41Å; L257-F261 PolarHBondContact O-N 3.1Å; L257-Y276 HydrophobicContact CD1-CD2 4.18Å; L257-L291 HydrophobicContact CB-CD1 4.15Å; L257-L291 HydrophobicContact CD1-CD1 4.2Å
258V94.1Very high84.7Confident18 Ų1873.3 Ų73.311%0.10937%0.367CS..Hα-helixtrans-61-50.4177175.90000110.7K254 R255 H260 F261 L262 Y263 L291K254-V258 WeakPolarHBondContact O-CG2 3.2Å; K254-V258 PolarHBondContact O-N 2.83Å; K254-V258 VanDerWaalsContact O-N 3.09Å; R255-V258 PolarHBondContact O-N 3.43Å; V258-H260 VanDerWaalsContact C-N 3.26Å; V258-H260 PolarHBondContact O-N 3.01Å; V258-F261 PolarHBondContact O-N 3.49Å; V258-L262 HydrophobicContact CG1-CB 4.23Å; V258-L262 HydrophobicContact CG1-CD2 4.04Å; V258-L262 VanDerWaalsContact O-CB 3.26Å; V258-L262 WeakPolarHBondContact O-CB 3.17Å; V258-L262 PolarHBondContact O-N 3.37Å; V258-Y263 HydrophobicContact CG1-CD2 4.28Å; V258-Y263 HydrophobicContact CG1-CE2 3.61Å; V258-L291 HydrophobicContact CG2-CB 3.43Å; V258-L291 VanDerWaalsContact CG2-CB 3.43Å; V258-L291 HydrophobicContact CG2-CD1 4.27Å
259D91.6Very high83.7Confident73 Ų7368.9 Ų68.939%0.3934%0.339SS..Hα-helixtrans-59.6-39.5-178.7-66.4-19.4000111.6R255 Q264R255-D259 VanDerWaalsContact O-CG 3.25Å; R255-D259 PolarHBondContact O-N 3.3Å; D259-Q264 WeakPolarHBondContact O-CG 3.5Å
260H91.5Very high83.3Confident45 Ų4574.1 Ų74.121%0.20835%0.351CS..Hα-helixtrans-76.8-37.8-177.8-170.485.2000113.9R200 F204 Q256 L257 V258R200-H260 PolarHBondContact NE-O 2.67Å; R200-H260 PolarHBondContact NH2-O 3.34Å; F204-H260 HydrophobicContact CD2-CB 3.92Å; F204-H260 AromaticContact CD2-CD2 3.69Å; F204-H260 AromaticContact CD2-CG 3.54Å; F204-H260 AromaticContact CD2-ND1 3.85Å; F204-H260 HydrophobicContact CE2-CB 3.94Å; Q256-H260 WeakPolarHBondContact O-CB 3.43Å; Q256-H260 PolarHBondContact O-N 3.35Å; L257-H260 PolarHBondContact O-N 3.1Å; V258-H260 VanDerWaalsContact C-N 3.26Å; V258-H260 PolarHBondContact O-N 3.01Å
261F91.6Very high83.1Confident5 Ų573.8 Ų73.82%0.02235%0.348CS..Hα-helixtrans-101.6-30.3-171.9-69.6-69.3000114.5R200 F201 F204 I236 I238 L257 V258 I271 V274R200-F261 HydrophobicContact CB-CE1 4.36Å; R200-F261 HydrophobicContact CG-CD1 4.43Å; R200-F261 HydrophobicContact CG-CE1 3.92Å; F201-F261 HydrophobicContact CB-CE1 4.27Å; F201-F261 HydrophobicContact CB-CZ 4.1Å; F201-F261 HydrophobicContact CD2-CE1 4.48Å; F201-F261 HydrophobicContact CD2-CE2 4.05Å; F201-F261 AromaticContact CD2-CZ 3.63Å; F201-F261 HydrophobicContact CD2-CZ 3.63Å; F201-F261 HydrophobicContact CG-CZ 4.36Å; F204-F261 HydrophobicContact CB-CE2 4.49Å; F204-F261 HydrophobicContact CB-CZ 4.04Å; F204-F261 HydrophobicContact CD2-CE2 4.31Å; F204-F261 HydrophobicContact CG-CE2 4.24Å; F204-F261 HydrophobicContact CG-CZ 4.28Å; I236-F261 HydrophobicContact CD1-CB 4.04Å; I236-F261 HydrophobicContact CD1-CD1 4.03Å; I236-F261 HydrophobicContact CD1-CD2 4.15Å; I236-F261 HydrophobicContact CD1-CG 3.79Å; I238-F261 HydrophobicContact CD1-CD2 4.19Å; I238-F261 HydrophobicContact CD1-CE2 4.09Å; L257-F261 HydrophobicContact CD2-CD2 4.27Å; L257-F261 HydrophobicContact CD2-CE2 3.87Å; L257-F261 WeakPolarHBondContact O-CB 3.5Å; L257-F261 VanDerWaalsContact O-CD2 3.25Å; L257-F261 WeakPolarHBondContact O-CD2 3.41Å; L257-F261 PolarHBondContact O-N 3.1Å; V258-F261 PolarHBondContact O-N 3.49Å; F261-I271 HydrophobicContact CB-CD1 3.91Å; F261-I271 HydrophobicContact CD1-CD1 3.71Å; F261-I271 HydrophobicContact CG-CD1 4.23Å; F261-V274 HydrophobicContact CB-CG2 3.91Å
262L85.4Confident82.9Confident30 Ų3071.5 Ų71.516%0.15733%0.329CS..THydrogen-bonded Turntrans-91.7-37.9-171.3-166.863.3000113.4V258 I271 V274V258-L262 HydrophobicContact CG1-CB 4.23Å; V258-L262 HydrophobicContact CG1-CD2 4.04Å; V258-L262 VanDerWaalsContact O-CB 3.26Å; V258-L262 WeakPolarHBondContact O-CB 3.17Å; V258-L262 PolarHBondContact O-N 3.37Å; L262-I271 WeakPolarHBondContact CD1-O 3.17Å; L262-V274 HydrophobicContact CB-CG2 4.41Å
263Y76Confident82.9Confident158 Ų15864.9 Ų64.962%0.6230%0.3SS*.SBendtrans-104.3-10.3-166.6-61.8-59.5000115.9V258V258-Y263 HydrophobicContact CG1-CD2 4.28Å; V258-Y263 HydrophobicContact CG1-CE2 3.61Å
264Q63.1Low83Confident126 Ų12664.8 Ų64.859%0.58930%0.3SS*.SBendtrans-107.2-14.4-162.9-73.1-174.50.600116.8R200 D259R200-Q264 VanDerWaalsContact NH2-CB 3.32Å; D259-Q264 WeakPolarHBondContact O-CG 3.5Å
265D59.8Low83.1Confident27 Ų2763.6 Ų63.614%0.14429%0.294CS..  trans-125.949.3-168.4-151.1-17.1000115.1R200 I267 T268 F269R200-D265 IonicContact CZ-OD2 2.9Å; R200-D265 IonicContact NH1-OD2 3.26Å; R200-D265 PolarHBondContact NH1-OD2 3.06Å; D265-I267 PolarHBondContact O-N 2.79Å; D265-I267 VanDerWaalsContact O-N 3.16Å; D265-T268 WeakPolarHBondContact OD1-CB 3.22Å; D265-T268 PolarHBondContact OD1-N 3.09Å; D265-T268 PolarHBondContact OD1-OG1 3.05Å; D265-F269 CarbonylContact O-C 3.57Å
266L59.9Low83.2Confident131 Ų13155.1 Ų55.169%0.68626%0.263SS*.THydrogen-bonded Turntrans-69.6-9.6178.3-64.3175.1000113.8R270L266-R270 HydrophobicContact CD2-CG 4.42Å
267I55.5Low83.3Confident169 Ų16951.8 Ų51.887%0.86725%0.247SC*.THydrogen-bonded Turntrans-87-38.7-173.9-54.5175.6000111.4D265D265-I267 PolarHBondContact O-N 2.79Å; D265-I267 VanDerWaalsContact O-N 3.16Å
268T63.7Low83.2Confident82 Ų8255.8 Ų55.850%0.50327%0.266SS..THydrogen-bonded Turntrans-101.2-45.7-171.1-20.10000113D265D265-T268 WeakPolarHBondContact OD1-CB 3.22Å; D265-T268 PolarHBondContact OD1-N 3.09Å; D265-T268 PolarHBondContact OD1-OG1 3.05Å
269F73Confident83.1Confident18 Ų1856.5 Ų56.58%0.07927%0.269CS..  trans-164.2142.3176.155.7-89.3000110M193 V197 I234 D265 I271M193-F269 HydrophobicContact SD-CB 3.81Å; V197-F269 HydrophobicContact CB-CE2 4.38Å; V197-F269 HydrophobicContact CG2-CD2 3.66Å; V197-F269 HydrophobicContact CG2-CE2 3.39Å; V197-F269 HydrophobicContact CG2-CG 4.42Å; V197-F269 HydrophobicContact CG2-CZ 3.94Å; I234-F269 HydrophobicContact CD1-CB 3.88Å; I234-F269 HydrophobicContact CD1-CD2 3.94Å; I234-F269 HydrophobicContact CD1-CG 4.23Å; D265-F269 CarbonylContact O-C 3.57Å; F269-I271 HydrophobicContact CD2-CG1 4.03Å; F269-I271 HydrophobicContact CE2-CD1 3.93Å; F269-I271 HydrophobicContact CE2-CG1 3.87Å
270R82.6Confident82.8Confident167 Ų16755.6 Ų55.663%0.6327%0.266SS*.  trans-93.8115.9178.2-179.4177.7170152.1-1.2111I234 L266 S272I234-R270 WeakPolarHBondContact CB-O 3.25Å; L266-R270 HydrophobicContact CD2-CG 4.42Å; R270-S272 PolarHBondContact O-N 3.47Å
271I90.4Very high82.3Confident6 Ų657.1 Ų57.13%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-76.8112162.4-61.8174.4000107.6I234 I236 F261 L262 F269 S273 V274I234-I271 HydrophobicContact CG2-CG1 4.22Å; I234-I271 CarbonylContact O-C 3.57Å; I236-I271 HydrophobicContact CD1-CD1 4.15Å; I236-I271 HydrophobicContact CD1-CG2 4.38Å; I236-I271 HydrophobicContact CG1-CG2 4.06Å; I236-I271 HydrophobicContact CG2-CD1 4.44Å; I236-I271 HydrophobicContact CG2-CG2 4.48Å; F261-I271 HydrophobicContact CB-CD1 3.91Å; F261-I271 HydrophobicContact CD1-CD1 3.71Å; F261-I271 HydrophobicContact CG-CD1 4.23Å; L262-I271 WeakPolarHBondContact CD1-O 3.17Å; F269-I271 HydrophobicContact CD2-CG1 4.03Å; F269-I271 HydrophobicContact CE2-CD1 3.93Å; F269-I271 HydrophobicContact CE2-CG1 3.87Å; I271-S273 WeakPolarHBondContact CG2-O 3.23Å; I271-V274 HydrophobicContact CG2-CG2 3.81Å
272S92Very high81.7Confident5 Ų561.9 Ų61.94%0.03531%0.309CS..EExtended strand (participates in β ladder)trans-81.2-26.8-179.8-63.70000112.2D233 I234 R270 G293 C294D233-S272 WeakPolarHBondContact OD1-CB 3.21Å; D233-S272 PolarHBondContact OD1-OG 3.28Å; I234-S272 PolarHBondContact O-N 3.12Å; R270-S272 PolarHBondContact O-N 3.47Å; S272-G293 CarbonylContact O-C 3.56Å; S272-G293 WeakPolarHBondContact O-CA 3.27Å; S272-C294 PolarHBondContact O-N 3.4Å
273S94.9Very high81.3Confident0 Ų065.5 Ų65.50%034%0.337CS..EExtended strand (participates in β ladder)trans-146.8128.9-171-48.20000111.5I234 I236 I271 C294I234-S273 PolarHBondContact O-N 2.84Å; I236-S273 PolarHBondContact N-O 3.03Å; I271-S273 WeakPolarHBondContact CG2-O 3.23Å; S273-C294 WeakPolarHBondContact CB-O 3.48Å; S273-C294 PolarHBondContact OG-O 2.98Å
274V96.7Very high81.4Confident0 Ų060.7 Ų60.70%032%0.322CS..EExtended strand (participates in β ladder)trans-117.6114.4174.2-177.10000109.4I236 I238 F261 L262 I271 L291 G292I236-V274 HydrophobicContact CD1-CG1 4.23Å; I236-V274 HydrophobicContact CD1-CG2 4.2Å; I236-V274 HydrophobicContact CG1-CB 4.39Å; I236-V274 HydrophobicContact CG1-CG1 4.26Å; I236-V274 HydrophobicContact CG1-CG2 4.14Å; I238-V274 HydrophobicContact CD1-CG1 4.49Å; F261-V274 HydrophobicContact CB-CG2 3.91Å; L262-V274 HydrophobicContact CB-CG2 4.41Å; I271-V274 HydrophobicContact CG2-CG2 3.81Å; V274-L291 HydrophobicContact CG1-CB 4.47Å; V274-L291 HydrophobicContact CG1-CD1 4.34Å; V274-L291 PolarHBondContact O-N 3.2Å; V274-G292 PolarHBondContact N-O 3.32Å
275Y98Very high82.1Confident13 Ų1362.2 Ų62.25%0.05133%0.331CS..EExtended strand (participates in β ladder)trans-107.2145175.5-82.8-89.9000112L235 I236 I238 E289 L290 P295 P310L235-Y275 HydrophobicContact CD1-CD2 3.97Å; L235-Y275 HydrophobicContact CD1-CE2 3.75Å; L235-Y275 HydrophobicContact CD2-CD2 4.27Å; L235-Y275 HydrophobicContact CG-CD2 4.02Å; L235-Y275 HydrophobicContact CG-CE2 4.3Å; I236-Y275 WeakPolarHBondContact O-CB 3.22Å; I236-Y275 PolarHBondContact O-N 3.16Å; I238-Y275 PolarHBondContact N-O 3.2Å; Y275-E289 CarbonylContact C-O 3.5Å; Y275-E289 WeakPolarHBondContact CA-O 3.39Å; Y275-E289 VanDerWaalsContact CD1-C 3.45Å; Y275-E289 WeakPolarHBondContact CD1-O 3.28Å; Y275-L290 HydrophobicContact CD1-CB 4.3Å; Y275-L290 HydrophobicContact CD2-CD1 4.15Å; Y275-L290 HydrophobicContact CE1-CB 3.72Å; Y275-L290 HydrophobicContact CE1-CD1 4.32Å; Y275-L290 HydrophobicContact CE2-CD1 3.66Å; Y275-P295 VanDerWaalsContact OH-C 3.3Å; Y275-P295 WeakPolarHBondContact OH-CA 3.49Å; Y275-P295 PolarHBondContact OH-O 3.21Å; Y275-P310 HydrophobicContact CD1-CG 4.35Å; Y275-P310 HydrophobicContact CD2-CB 4.37Å; Y275-P310 HydrophobicContact CE1-CG 3.84Å; Y275-P310 HydrophobicContact CE2-CB 4.29Å; Y275-P310 HydrophobicContact CE2-CG 4.07Å
276Y97.3Very high83Confident2 Ų264 Ų641%0.00835%0.345CS..EExtended strand (participates in β ladder)trans-113135.2170.2179.2-96.3000109.4V240 V250 K254 L257 E278 E289V240-Y276 HydrophobicContact CB-CE2 4.48Å; V240-Y276 HydrophobicContact CG1-CE2 4.25Å; V240-Y276 HydrophobicContact CG2-CD2 4.36Å; V240-Y276 HydrophobicContact CG2-CE1 4.39Å; V240-Y276 HydrophobicContact CG2-CE2 3.38Å; V240-Y276 WeakPolarHBondContact CG2-OH 3.5Å; V250-Y276 HydrophobicContact CG1-CE1 4.45Å; K254-Y276 VanDerWaalsContact CE-CD1 3.42Å; K254-Y276 VanDerWaalsContact CE-CE1 3.42Å; K254-Y276 HydrophobicContact CG-CD2 4.35Å; K254-Y276 HydrophobicContact CG-CG 4.4Å; L257-Y276 HydrophobicContact CD1-CD2 4.18Å; Y276-E278 HydrophobicContact CD1-CG 4.14Å; Y276-E278 HydrophobicContact CE1-CG 3.3Å; Y276-E278 WeakPolarHBondContact CE1-OE1 3.31Å; Y276-E278 PolarHBondContact OH-OE1 2.87Å; Y276-E289 PolarHBondContact N-O 2.94Å; Y276-E289 PolarHBondContact O-N 3.29Å
277Q96.1Very high84.2Confident13 Ų1367.7 Ų67.76%0.06135%0.349CS..EExtended strand (participates in β ladder)trans-132.4122.5179.8-179.2-173.436.100109.6I237 I238 T239 V240 P286 Y288I237-Q277 HydrophobicContact CG2-CB 3.86Å; I238-Q277 PolarHBondContact O-N 3.04Å; T239-Q277 CarbonylContact C-O 3.41Å; T239-Q277 VanDerWaalsContact CA-O 3.28Å; T239-Q277 WeakPolarHBondContact CA-O 3.23Å; T239-Q277 HydrophobicContact CG2-CB 4.36Å; T239-Q277 HydrophobicContact CG2-CG 4.17Å; T239-Q277 PolarHBondContact OG1-OE1 3.27Å; V240-Q277 PolarHBondContact N-O 2.96Å; Q277-P286 VanDerWaalsContact NE2-CB 3.32Å; Q277-Y288 HydrophobicContact CB-CD1 4.45Å
278E93.8Very high86Confident84 Ų8463.3 Ų63.339%0.39332%0.322SS..EExtended strand (participates in β ladder)trans-86.7131.1170.3-57.9-168.816100109.5P242 Y276P242-E278 HydrophobicContact CG-CB 4.18Å; P242-E278 HydrophobicContact CG-CG 3.98Å; Y276-E278 HydrophobicContact CD1-CG 4.14Å; Y276-E278 HydrophobicContact CE1-CG 3.3Å; Y276-E278 WeakPolarHBondContact CE1-OE1 3.31Å; Y276-E278 PolarHBondContact OH-OE1 2.87Å
279L91.6Very high87.6Confident33 Ų3363.4 Ų63.417%0.17332%0.317CS..  trans-139.6100.2174.4-173.867.4000107.5R223 T239 V240 N281 D284R223-L279 VanDerWaalsContact CD-O 3.26Å; R223-L279 WeakPolarHBondContact CD-O 3.48Å; R223-L279 PolarHBondContact NH1-O 3.05Å; T239-L279 HydrophobicContact CG2-CB 3.64Å; T239-L279 HydrophobicContact CG2-CD2 4.02Å; T239-L279 HydrophobicContact CG2-CG 4.49Å; V240-L279 PolarHBondContact O-N 2.83Å; L279-N281 WeakPolarHBondContact CD1-O 3.41Å; L279-D284 HydrophobicContact CD1-CB 4.29Å
280V85.7Confident88.7Confident53 Ų5365.6 Ų65.632%0.32133%0.329SS..SBendtrans-88.3-56.7177.2179.50000108.3R223 P242 D284R223-V280 PolarHBondContact NH1-O 3.18Å; P242-V280 HydrophobicContact CG-CG2 4.45Å; V280-D284 PolarHBondContact N-OD2 3.09Å
281N82.3Confident89.4Confident77 Ų7759.2 Ų59.241%0.41231%0.307SS..SBendtrans-106.4146.5174.1-48.7-72.2000111L279 S283 D284L279-N281 WeakPolarHBondContact CD1-O 3.41Å; N281-S283 PolarHBondContact O-N 2.76Å; N281-S283 VanDerWaalsContact O-N 3.08Å; N281-D284 WeakPolarHBondContact CB-OD1 3.32Å; N281-D284 PolarHBondContact N-OD2 3.18Å; N281-D284 PolarHBondContact ND2-OD1 2.97Å; N281-D284 WeakPolarHBondContact O-CB 3.32Å; N281-D284 VanDerWaalsContact O-CG 3.29Å; N281-D284 PolarHBondContact O-N 3.48Å
282S77.2Confident89.6Confident105 Ų10559.6 Ų59.673%0.73431%0.313SS*.THydrogen-bonded Turntrans-64.5-13.4178.1-52.80000114.2
283S77.4Confident89.7Confident106 Ų10661.4 Ų61.474%0.74133%0.333SS*.THydrogen-bonded Turntrans-94.6-3.317753.70000113.6N281N281-S283 PolarHBondContact O-N 2.76Å; N281-S283 VanDerWaalsContact O-N 3.08Å
284D79.2Confident89.6Confident57 Ų5763.4 Ų63.431%0.30535%0.346SS..SBendtrans-67.1139.8-179-62.4-20000109.8L279 V280 N281L279-D284 HydrophobicContact CD1-CB 4.29Å; V280-D284 PolarHBondContact N-OD2 3.09Å; N281-D284 WeakPolarHBondContact CB-OD1 3.32Å; N281-D284 PolarHBondContact N-OD2 3.18Å; N281-D284 PolarHBondContact ND2-OD1 2.97Å; N281-D284 WeakPolarHBondContact O-CB 3.32Å; N281-D284 VanDerWaalsContact O-CG 3.29Å; N281-D284 PolarHBondContact O-N 3.48Å
285M76.7Confident89.5Confident158 Ų15866.1 Ų66.178%0.77836%0.363SS*.PPolyproline II helixtrans-63.1127173.7-73.9-63.8-6600109.3R287M285-R287 PolarHBondContact O-N 3.04Å; M285-R287 VanDerWaalsContact O-N 3.16Å
286P78.7Confident89.3Confident66 Ų6667.1 Ų67.143%0.42937%0.368SS..PPolyproline II helixtrans-65.1119.5-177.425.2-32.6000110Q277 Y288Q277-P286 VanDerWaalsContact NE2-CB 3.32Å; P286-Y288 HydrophobicContact CB-CE2 4.02Å
287R86.1Confident89.1Confident208 Ų20867 Ų6779%0.78537%0.368SS*.  trans-110.6123.2171.7-68.4-175.6177-172.1-0.9109.5M285M285-R287 PolarHBondContact O-N 3.04Å; M285-R287 VanDerWaalsContact O-N 3.16Å
288Y92.7Very high89Confident77 Ų7769 Ų6930%0.30238%0.375SS..EExtended strand (participates in β ladder)trans-104.3115180-57.3-76.9000109.2I237 Q277 P286 P310I237-Y288 HydrophobicContact CD1-CD1 3.96Å; I237-Y288 HydrophobicContact CD1-CE1 3.7Å; I237-Y288 HydrophobicContact CG2-CD1 3.84Å; I237-Y288 HydrophobicContact CG2-CE1 4Å; Q277-Y288 HydrophobicContact CB-CD1 4.45Å; P286-Y288 HydrophobicContact CB-CE2 4.02Å; Y288-P310 HydrophobicContact CD1-CB 4.27Å; Y288-P310 HydrophobicContact CD2-CG 4.42Å; Y288-P310 HydrophobicContact CG-CB 4.19Å; Y288-P310 HydrophobicContact CG-CG 4.21Å
289E96.3Very high89Confident84 Ų8465.9 Ų65.939%0.39336%0.361SS..EExtended strand (participates in β ladder)trans-99.1118.2174-176.4-177.2155.100109.3K254 Y275 Y276 L291K254-E289 WeakPolarHBondContact CE-OE1 3.3Å; K254-E289 WeakPolarHBondContact CE-OE2 3.43Å; K254-E289 IonicContact NZ-OE1 2.77Å; K254-E289 PolarHBondContact NZ-OE1 3.18Å; K254-E289 IonicContact NZ-OE2 2.6Å; K254-E289 PolarHBondContact NZ-OE2 3.04Å; Y275-E289 CarbonylContact C-O 3.5Å; Y275-E289 WeakPolarHBondContact CA-O 3.39Å; Y275-E289 VanDerWaalsContact CD1-C 3.45Å; Y275-E289 WeakPolarHBondContact CD1-O 3.28Å; Y276-E289 PolarHBondContact N-O 2.94Å; Y276-E289 PolarHBondContact O-N 3.29Å; E289-L291 HydrophobicContact CG-CD2 4.15Å; E289-L291 PolarHBondContact O-N 3Å
290L97.6Very high89.2Confident64 Ų6472 Ų7234%0.33538%0.381SS..EExtended strand (participates in β ladder)trans-71.4115.6171.617967.5000108.4Y275 G292 P295Y275-L290 HydrophobicContact CD1-CB 4.3Å; Y275-L290 HydrophobicContact CD2-CD1 4.15Å; Y275-L290 HydrophobicContact CE1-CB 3.72Å; Y275-L290 HydrophobicContact CE1-CD1 4.32Å; Y275-L290 HydrophobicContact CE2-CD1 3.66Å; L290-G292 WeakPolarHBondContact CD1-O 3.49Å; L290-P295 HydrophobicContact CD2-CB 3.96Å
291L97Very high89.5Confident32 Ų3269.5 Ų69.517%0.16837%0.366CS..EExtended strand (participates in β ladder)trans-84.4-31.4174.4-59.1-171000112.1K254 L257 V258 V274 E289K254-L291 HydrophobicContact CB-CD1 4.01Å; K254-L291 HydrophobicContact CB-CD2 3.99Å; K254-L291 HydrophobicContact CD-CD2 3.83Å; K254-L291 HydrophobicContact CG-CD1 4.09Å; K254-L291 HydrophobicContact CG-CD2 3.78Å; L257-L291 HydrophobicContact CB-CD1 4.15Å; L257-L291 HydrophobicContact CD1-CD1 4.2Å; V258-L291 HydrophobicContact CG2-CB 3.43Å; V258-L291 VanDerWaalsContact CG2-CB 3.43Å; V258-L291 HydrophobicContact CG2-CD1 4.27Å; V274-L291 HydrophobicContact CG1-CB 4.47Å; V274-L291 HydrophobicContact CG1-CD1 4.34Å; V274-L291 PolarHBondContact O-N 3.2Å; E289-L291 HydrophobicContact CG-CD2 4.15Å; E289-L291 PolarHBondContact O-N 3Å
292G94.6Very high90.1Very high14 Ų1469.3 Ų69.314%0.14436%0.362CS..EExtended strand (participates in β ladder)trans179.4161.917800000113.4V274 L290V274-G292 PolarHBondContact N-O 3.32Å; L290-G292 WeakPolarHBondContact CD1-O 3.49Å
293G93.7Very high90.9Very high44 Ų4471.3 Ų71.345%0.45436%0.364SS..EExtended strand (participates in β ladder)trans90.4-151-17700000112.8S272S272-G293 CarbonylContact O-C 3.56Å; S272-G293 WeakPolarHBondContact O-CA 3.27Å
294C93.4Very high91.8Very high42 Ų4267.6 Ų67.628%0.28434%0.336SS..  trans-86138.1-179-162.30000110.8S272 S273 F296S272-C294 PolarHBondContact O-N 3.4Å; S273-C294 WeakPolarHBondContact CB-O 3.48Å; S273-C294 PolarHBondContact OG-O 2.98Å; C294-F296 WeakPolarHBondContact CB-O 3.46Å; C294-F296 PolarHBondContact O-N 3.28Å; C294-F296 VanDerWaalsContact O-N 3.17Å; C294-F296 VanDerWaalsContact SG-CD2 3.6Å; C294-F296 WeakPolarHBondContact SG-CE2 3.35Å; C294-F296 PolarHBondContact SG-O 3.05Å
295P94.6Very high92.6Very high56 Ų5670.6 Ų70.636%0.36434%0.343SS..SBendtrans-69.3-7.6177.122.3-29.7000114.6Y275 L290Y275-P295 VanDerWaalsContact OH-C 3.3Å; Y275-P295 WeakPolarHBondContact OH-CA 3.49Å; Y275-P295 PolarHBondContact OH-O 3.21Å; L290-P295 HydrophobicContact CD2-CB 3.96Å
296F93.3Very high93.5Very high34 Ų3463.1 Ų63.115%0.14931%0.306CS..SBendtrans-148.4170-178.843.8-105.3000109.2C294 Y298 R307C294-F296 WeakPolarHBondContact CB-O 3.46Å; C294-F296 PolarHBondContact O-N 3.28Å; C294-F296 VanDerWaalsContact O-N 3.17Å; C294-F296 VanDerWaalsContact SG-CD2 3.6Å; C294-F296 WeakPolarHBondContact SG-CE2 3.35Å; C294-F296 PolarHBondContact SG-O 3.05Å; F296-Y298 HydrophobicContact CD2-CD2 4.45Å; F296-Y298 AromaticContact CD2-CE2 3.69Å; F296-Y298 HydrophobicContact CD2-CE2 3.69Å; F296-Y298 AromaticContact CD2-CZ 3.83Å; F296-Y298 AromaticContact CE2-CE2 3.53Å; F296-Y298 HydrophobicContact CE2-CE2 3.53Å; F296-Y298 AromaticContact CE2-CZ 3.54Å; F296-Y298 WeakPolarHBondContact CE2-OH 3.28Å; F296-R307 HydrophobicContact CB-CG 3.75Å; F296-R307 HydrophobicContact CD1-CG 4.14Å; F296-R307 HydrophobicContact CD2-CG 3.89Å; F296-R307 VanDerWaalsContact CE1-CZ 3.41Å; F296-R307 HydrophobicContact CG-CG 3.64Å
297V93.4Very high94.3Very high0 Ų062.6 Ų62.60%030%0.295CS..EExtended strand (participates in β ladder)trans-129.1156.7175.7-75.10000109.5Y230 D233 L235 I308Y230-V297 HydrophobicContact CD2-CB 4Å; Y230-V297 HydrophobicContact CD2-CG2 3.76Å; Y230-V297 HydrophobicContact CE2-CB 4.19Å; Y230-V297 HydrophobicContact CE2-CG2 3.43Å; Y230-V297 VanDerWaalsContact CE2-CG2 3.43Å; D233-V297 HydrophobicContact CB-CB 3.72Å; D233-V297 HydrophobicContact CB-CG1 3.65Å; L235-V297 HydrophobicContact CB-CG1 3.61Å; L235-V297 HydrophobicContact CB-CG2 4.06Å; L235-V297 HydrophobicContact CD1-CG1 4.29Å; L235-V297 HydrophobicContact CD1-CG2 4.2Å; V297-I308 HydrophobicContact CG2-CB 4.41Å; V297-I308 PolarHBondContact N-O 2.84Å; V297-I308 VanDerWaalsContact N-O 3.14Å; V297-I308 PolarHBondContact O-N 2.74Å
298Y93.7Very high94.6Very high56 Ų5652.7 Ų52.722%0.2226%0.258CS..EExtended strand (participates in β ladder)trans-108141.5178.6-64.6-86.2000111.8Y230 D233 F296 R305 F306 R307Y230-Y298 WeakPolarHBondContact CB-O 3.32Å; D233-Y298 PolarHBondContact OD2-N 3.46Å; F296-Y298 HydrophobicContact CD2-CD2 4.45Å; F296-Y298 AromaticContact CD2-CE2 3.69Å; F296-Y298 HydrophobicContact CD2-CE2 3.69Å; F296-Y298 AromaticContact CD2-CZ 3.83Å; F296-Y298 AromaticContact CE2-CE2 3.53Å; F296-Y298 HydrophobicContact CE2-CE2 3.53Å; F296-Y298 AromaticContact CE2-CZ 3.54Å; F296-Y298 WeakPolarHBondContact CE2-OH 3.28Å; Y298-R305 HydrophobicContact CD1-CG 3.81Å; Y298-R305 HydrophobicContact CG-CG 4.45Å; Y298-F306 VanDerWaalsContact CA-O 3.28Å; Y298-F306 WeakPolarHBondContact CA-O 3.33Å; Y298-R307 HydrophobicContact CD1-CB 4.16Å; Y298-R307 HydrophobicContact CE1-CB 3.78Å; Y298-R307 HydrophobicContact CE1-CG 4.4Å
299E94.4Very high94.6Very high18 Ų1849.6 Ų49.68%0.08425%0.247CC..EExtended strand (participates in β ladder)trans-126.9152.1165.4-178.957.5-65.100109.5Y230 F306 I308 F314 T318Y230-E299 HydrophobicContact CD1-CB 3.71Å; Y230-E299 HydrophobicContact CD1-CG 3.74Å; Y230-E299 WeakPolarHBondContact CD1-OE2 3.37Å; Y230-E299 HydrophobicContact CD2-CB 4.35Å; Y230-E299 HydrophobicContact CE1-CB 3.99Å; Y230-E299 HydrophobicContact CE1-CG 4.1Å; Y230-E299 HydrophobicContact CG-CB 3.88Å; Y230-E299 HydrophobicContact CG-CG 4.31Å; E299-F306 PolarHBondContact N-O 3.21Å; E299-F306 PolarHBondContact O-N 2.97Å; E299-I308 HydrophobicContact CB-CD1 3.75Å; E299-F314 HydrophobicContact CB-CE1 4.12Å; E299-F314 HydrophobicContact CB-CZ 4Å; E299-F314 HydrophobicContact CG-CE1 3.73Å; E299-F314 HydrophobicContact CG-CZ 3.86Å; E299-T318 HydrophobicContact CG-CG2 4.01Å; E299-T318 PolarHBondContact OE2-OG1 2.99Å
300R94.5Very high94.4Very high161 Ų16146.1 Ų46.161%0.60823%0.232SC*.EExtended strand (participates in β ladder)trans-103.2132.4171.2-71.8-179.5170.7157.8-3.5110.3M304 T318R300-M304 VanDerWaalsContact CA-O 3.25Å; R300-M304 WeakPolarHBondContact CA-O 3.27Å; R300-T318 WeakPolarHBondContact O-CG2 3.41Å
301L93.4Very high94Very high1 Ų145.2 Ų45.21%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-119.6123.3165.1-71.4165.1000106.4N303 M304 F306 F314 T318 C321 E322 Y325L301-N303 PolarHBondContact O-N 3.44Å; L301-M304 PolarHBondContact N-O 3.23Å; L301-M304 VanDerWaalsContact N-O 3.16Å; L301-M304 WeakPolarHBondContact O-CB 3.35Å; L301-M304 PolarHBondContact O-N 3.49Å; L301-F306 HydrophobicContact CB-CD2 4.15Å; L301-F306 HydrophobicContact CB-CE2 3.9Å; L301-F306 HydrophobicContact CD1-CD2 4Å; L301-F306 HydrophobicContact CD1-CE2 4.03Å; L301-F306 HydrophobicContact CG-CD2 4.33Å; L301-F306 HydrophobicContact CG-CE2 4.43Å; L301-F314 HydrophobicContact CD1-CE1 4.3Å; L301-F314 HydrophobicContact CD1-CE2 3.89Å; L301-F314 HydrophobicContact CD1-CZ 3.42Å; L301-F314 VanDerWaalsContact CD1-CZ 3.42Å; L301-F314 HydrophobicContact CD2-CZ 4.41Å; L301-F314 HydrophobicContact CG-CZ 3.82Å; L301-T318 HydrophobicContact CD2-CG2 3.57Å; L301-T318 HydrophobicContact CG-CG2 4.37Å; L301-C321 HydrophobicContact CD2-CB 3.83Å; L301-E322 HydrophobicContact CD2-CG 4.25Å; L301-Y325 HydrophobicContact CD1-CE2 4.15Å
302F94.3Very high93.6Very high72 Ų7243.7 Ų43.732%0.31622%0.223SC..THydrogen-bonded Turntrans54.8-126.7-169.2-51.2-86.3000111.2E322 Y325 F353F302-E322 HydrophobicContact CD1-CB 4.33Å; F302-E322 HydrophobicContact CD1-CG 4.11Å; F302-E322 HydrophobicContact CD2-CG 4.1Å; F302-E322 HydrophobicContact CE1-CB 3.77Å; F302-E322 HydrophobicContact CE1-CG 4.02Å; F302-E322 HydrophobicContact CE2-CB 4.14Å; F302-E322 HydrophobicContact CE2-CG 4Å; F302-E322 HydrophobicContact CG-CG 4.17Å; F302-E322 VanDerWaalsContact CZ-CA 3.48Å; F302-E322 HydrophobicContact CZ-CB 3.69Å; F302-E322 HydrophobicContact CZ-CG 3.99Å; F302-E322 WeakPolarHBondContact CZ-O 3.25Å; F302-E322 PolarHBondContact N-OE1 3.17Å; F302-Y325 HydrophobicContact CE2-CD2 4.44Å; F302-F353 HydrophobicContact CD1-CE2 4.44Å; F302-F353 AromaticContact CD2-CD2 3.66Å; F302-F353 HydrophobicContact CD2-CD2 3.66Å; F302-F353 AromaticContact CD2-CE2 3.51Å; F302-F353 HydrophobicContact CD2-CE2 3.51Å; F302-F353 HydrophobicContact CD2-CZ 4.37Å; F302-F353 HydrophobicContact CE1-CE2 4.23Å; F302-F353 HydrophobicContact CE1-CZ 4.43Å; F302-F353 AromaticContact CE2-CD2 3.61Å; F302-F353 HydrophobicContact CE2-CD2 3.61Å; F302-F353 HydrophobicContact CE2-CE1 4.34Å; F302-F353 AromaticContact CE2-CE2 3.25Å; F302-F353 HydrophobicContact CE2-CE2 3.25Å; F302-F353 HydrophobicContact CE2-CG 4.29Å; F302-F353 AromaticContact CE2-CZ 3.68Å; F302-F353 HydrophobicContact CE2-CZ 3.68Å; F302-F353 HydrophobicContact CG-CE2 4.08Å; F302-F353 HydrophobicContact CZ-CD2 4.41Å; F302-F353 HydrophobicContact CZ-CE1 4.5Å; F302-F353 AromaticContact CZ-CE2 3.62Å; F302-F353 HydrophobicContact CZ-CE2 3.62Å; F302-F353 AromaticContact CZ-CZ 3.68Å; F302-F353 HydrophobicContact CZ-CZ 3.68Å
303N93.8Very high93.3Very high148 Ų14848.6 Ų48.679%0.79124%0.241SC*.THydrogen-bonded Turntrans-989.1174.164.6-31.5000113.2L301L301-N303 PolarHBondContact O-N 3.44Å
304M96.2Very high93.1Very high28 Ų2846.8 Ų46.814%0.13822%0.221CC..EExtended strand (participates in β ladder)trans-99.1151.9-178.2-64.9176.7178.200111.2R300 L301 F306 V352 F353 N381R300-M304 VanDerWaalsContact CA-O 3.25Å; R300-M304 WeakPolarHBondContact CA-O 3.27Å; L301-M304 PolarHBondContact N-O 3.23Å; L301-M304 VanDerWaalsContact N-O 3.16Å; L301-M304 WeakPolarHBondContact O-CB 3.35Å; L301-M304 PolarHBondContact O-N 3.49Å; M304-F306 HydrophobicContact CB-CD2 4.43Å; M304-F306 HydrophobicContact CB-CE2 3.58Å; M304-F306 HydrophobicContact CB-CZ 3.92Å; M304-F306 HydrophobicContact SD-CZ 4.2Å; M304-V352 HydrophobicContact SD-CG1 4.17Å; M304-F353 HydrophobicContact CE-CD2 4.34Å; M304-F353 HydrophobicContact SD-CB 4.17Å; M304-F353 HydrophobicContact SD-CD2 4.2Å; M304-N381 WeakPolarHBondContact CA-OD1 3.43Å; M304-N381 VanDerWaalsContact CB-OD1 3.27Å; M304-N381 WeakPolarHBondContact CB-OD1 3.13Å
305R95.2Very high93.1Very high120 Ų12045.1 Ų45.145%0.45321%0.208SC..EExtended strand (participates in β ladder)trans-116127.2-179.2-177.2-179178.9-173.6-1110.1Y298 N381Y298-R305 HydrophobicContact CD1-CG 3.81Å; Y298-R305 HydrophobicContact CG-CG 4.45Å; R305-N381 PolarHBondContact N-OD1 3.08Å; R305-N381 PolarHBondContact O-ND2 3.01Å
306F95.9Very high93.1Very high1 Ų143 Ų430%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-120.4124.5-178.7-65.1-78.8000111Y298 E299 L301 M304 F314 T349 V352 N377Y298-F306 VanDerWaalsContact CA-O 3.28Å; Y298-F306 WeakPolarHBondContact CA-O 3.33Å; E299-F306 PolarHBondContact N-O 3.21Å; E299-F306 PolarHBondContact O-N 2.97Å; L301-F306 HydrophobicContact CB-CD2 4.15Å; L301-F306 HydrophobicContact CB-CE2 3.9Å; L301-F306 HydrophobicContact CD1-CD2 4Å; L301-F306 HydrophobicContact CD1-CE2 4.03Å; L301-F306 HydrophobicContact CG-CD2 4.33Å; L301-F306 HydrophobicContact CG-CE2 4.43Å; M304-F306 HydrophobicContact CB-CD2 4.43Å; M304-F306 HydrophobicContact CB-CE2 3.58Å; M304-F306 HydrophobicContact CB-CZ 3.92Å; M304-F306 HydrophobicContact SD-CZ 4.2Å; F306-F314 HydrophobicContact CB-CE2 4.13Å; F306-T349 HydrophobicContact CD1-CG2 3.72Å; F306-T349 HydrophobicContact CE1-CG2 4.02Å; F306-T349 HydrophobicContact CG-CG2 4.03Å; F306-V352 HydrophobicContact CE1-CB 3.95Å; F306-V352 HydrophobicContact CE1-CG1 3.92Å; F306-V352 HydrophobicContact CE1-CG2 4.46Å; F306-V352 HydrophobicContact CZ-CB 4.3Å; F306-V352 HydrophobicContact CZ-CG1 4.07Å; F306-N377 WeakPolarHBondContact CA-OD1 3.37Å; F306-N377 HydrophobicContact CD1-CB 3.92Å; F306-N377 HydrophobicContact CE1-CB 4.36Å
307R95.4Very high93.2Very high55 Ų5541.5 Ų41.521%0.20819%0.188CC..EExtended strand (participates in β ladder)trans-74.6134.6164.5177.5-177153.8164.82.2109.3F296 Y298 D373 N377F296-R307 HydrophobicContact CB-CG 3.75Å; F296-R307 HydrophobicContact CD1-CG 4.14Å; F296-R307 HydrophobicContact CD2-CG 3.89Å; F296-R307 VanDerWaalsContact CE1-CZ 3.41Å; F296-R307 HydrophobicContact CG-CG 3.64Å; Y298-R307 HydrophobicContact CD1-CB 4.16Å; Y298-R307 HydrophobicContact CE1-CB 3.78Å; Y298-R307 HydrophobicContact CE1-CG 4.4Å; R307-D373 IonicContact CZ-OD1 3.65Å; R307-D373 IonicContact NE-OD1 2.77Å; R307-D373 PolarHBondContact NE-OD1 3.46Å; R307-D373 IonicContact NH2-OD1 3.55Å; R307-N377 WeakPolarHBondContact CB-OD1 3.25Å; R307-N377 PolarHBondContact N-OD1 3.31Å; R307-N377 PolarHBondContact O-ND2 3.02Å
308I93Very high93.3Very high0 Ų042.4 Ų42.40%019%0.194CC..EExtended strand (participates in β ladder)trans-133.4112.8-176.8-53.4167.4000109.2Y230 V297 E299 A312 F314Y230-I308 HydrophobicContact CE1-CD1 4.2Å; Y230-I308 HydrophobicContact CE2-CD1 3.8Å; Y230-I308 VanDerWaalsContact OH-CD1 3.3Å; Y230-I308 WeakPolarHBondContact OH-CD1 3.39Å; V297-I308 HydrophobicContact CG2-CB 4.41Å; V297-I308 PolarHBondContact N-O 2.84Å; V297-I308 VanDerWaalsContact N-O 3.14Å; V297-I308 PolarHBondContact O-N 2.74Å; E299-I308 HydrophobicContact CB-CD1 3.75Å; I308-A312 HydrophobicContact CG2-CB 4.23Å; I308-F314 HydrophobicContact CD1-CB 4.16Å; I308-F314 HydrophobicContact CD1-CD1 3.89Å; I308-F314 HydrophobicContact CD1-CD2 3.43Å; I308-F314 VanDerWaalsContact CD1-CD2 3.43Å; I308-F314 HydrophobicContact CD1-CE1 4.07Å; I308-F314 HydrophobicContact CD1-CE2 3.61Å; I308-F314 HydrophobicContact CD1-CG 3.56Å; I308-F314 HydrophobicContact CD1-CZ 3.92Å; I308-F314 HydrophobicContact CG1-CD2 3.85Å; I308-F314 HydrophobicContact CG1-CE2 4.15Å; I308-F314 HydrophobicContact CG1-CG 4.31Å; I308-F314 HydrophobicContact CG2-CB 4.32Å
309S93.2Very high93.5Very high11 Ų1144 Ų448%0.07720%0.202CC..  trans-72.9160.8171.2-69.60000112.6S311 A312 D373S309-S311 VanDerWaalsContact C-N 3.29Å; S309-S311 PolarHBondContact O-N 2.7Å; S309-A312 WeakPolarHBondContact O-CB 3.43Å; S309-A312 PolarHBondContact O-N 2.79Å; S309-A312 VanDerWaalsContact O-N 3.15Å; S309-D373 WeakPolarHBondContact CB-OD2 3.44Å; S309-D373 PolarHBondContact N-OD2 2.9Å; S309-D373 PolarHBondContact OG-OD1 3.15Å; S309-D373 PolarHBondContact OG-OD2 2.95Å
310P92.1Very high93.6Very high11 Ų1143.1 Ų43.17%0.07120%0.198CC..THydrogen-bonded Turntrans-57.3-37.3-178.721.8-36.2000114.1R228 L235 I237 Y275 Y288R228-P310 PolarHBondContact NH2-O 3.14Å; L235-P310 HydrophobicContact CD1-CB 4.38Å; L235-P310 HydrophobicContact CD2-CB 4.41Å; I237-P310 HydrophobicContact CD1-CB 3.83Å; Y275-P310 HydrophobicContact CD1-CG 4.35Å; Y275-P310 HydrophobicContact CD2-CB 4.37Å; Y275-P310 HydrophobicContact CE1-CG 3.84Å; Y275-P310 HydrophobicContact CE2-CB 4.29Å; Y275-P310 HydrophobicContact CE2-CG 4.07Å; Y288-P310 HydrophobicContact CD1-CB 4.27Å; Y288-P310 HydrophobicContact CD2-CG 4.42Å; Y288-P310 HydrophobicContact CG-CB 4.19Å; Y288-P310 HydrophobicContact CG-CG 4.21Å
311S88.9Confident93.7Very high45 Ų4535.5 Ų35.532%0.31517%0.169SC..THydrogen-bonded Turntrans-80.9-20.2179.953.60000114S309S309-S311 VanDerWaalsContact C-N 3.29Å; S309-S311 PolarHBondContact O-N 2.7Å
312A88Confident93.9Very high1 Ų136.8 Ų36.81%0.00818%0.175CC..  trans-71.4137.3-169.500000113.3R228 I308 S309 T347R228-A312 VanDerWaalsContact CZ-O 3.22Å; R228-A312 PolarHBondContact NH1-O 3.28Å; R228-A312 PolarHBondContact NH2-O 2.88Å; I308-A312 HydrophobicContact CG2-CB 4.23Å; S309-A312 WeakPolarHBondContact O-CB 3.43Å; S309-A312 PolarHBondContact O-N 2.79Å; S309-A312 VanDerWaalsContact O-N 3.15Å; A312-T347 HydrophobicContact CB-CG2 3.42Å; A312-T347 VanDerWaalsContact CB-CG2 3.42Å
313F88Confident94.1Very high116 Ų11634.9 Ų34.951%0.50917%0.169SC..  trans-71.5140.7171.8178.3-101.9000110.8
314F90.5Very high94.4Very high7 Ų727.9 Ų27.93%0.03113%0.132CC..  trans-151.7144.9172.6-162.4-95000108.7Y230 E299 L301 F306 I308 V316 T349Y230-F314 HydrophobicContact CE1-CD1 4.3Å; E299-F314 HydrophobicContact CB-CE1 4.12Å; E299-F314 HydrophobicContact CB-CZ 4Å; E299-F314 HydrophobicContact CG-CE1 3.73Å; E299-F314 HydrophobicContact CG-CZ 3.86Å; L301-F314 HydrophobicContact CD1-CE1 4.3Å; L301-F314 HydrophobicContact CD1-CE2 3.89Å; L301-F314 HydrophobicContact CD1-CZ 3.42Å; L301-F314 VanDerWaalsContact CD1-CZ 3.42Å; L301-F314 HydrophobicContact CD2-CZ 4.41Å; L301-F314 HydrophobicContact CG-CZ 3.82Å; F306-F314 HydrophobicContact CB-CE2 4.13Å; I308-F314 HydrophobicContact CD1-CB 4.16Å; I308-F314 HydrophobicContact CD1-CD1 3.89Å; I308-F314 HydrophobicContact CD1-CD2 3.43Å; I308-F314 VanDerWaalsContact CD1-CD2 3.43Å; I308-F314 HydrophobicContact CD1-CE1 4.07Å; I308-F314 HydrophobicContact CD1-CE2 3.61Å; I308-F314 HydrophobicContact CD1-CG 3.56Å; I308-F314 HydrophobicContact CD1-CZ 3.92Å; I308-F314 HydrophobicContact CG1-CD2 3.85Å; I308-F314 HydrophobicContact CG1-CE2 4.15Å; I308-F314 HydrophobicContact CG1-CG 4.31Å; I308-F314 HydrophobicContact CG2-CB 4.32Å; F314-V316 PolarHBondContact O-N 3.25Å; F314-T349 HydrophobicContact CD2-CG2 4.02Å; F314-T349 HydrophobicContact CE2-CG2 3.72Å
315Q92.8Very high94.5Very high6 Ų626.8 Ų26.83%0.02813%0.126CC..  trans-63.7130.9-177.6-69.2-64.8-16.400111N153 N317 C321 D416 M479N153-Q315 PolarHBondContact ND2-O 3.43Å; N153-Q315 PolarHBondContact OD1-O 2.88Å; Q315-N317 PolarHBondContact O-N 3.36Å; Q315-C321 HydrophobicContact CB-CB 3.85Å; Q315-C321 HydrophobicContact CG-CB 4.34Å; Q315-D416 PolarHBondContact NE2-OD2 2.91Å; Q315-M479 HydrophobicContact CB-CE 4.03Å; Q315-M479 HydrophobicContact CG-CE 4.34Å
316V94.2Very high94.6Very high13 Ų1323.6 Ų23.68%0.07912%0.122CC..SBendtrans-74-14.1-170.6-56.90000114R152 N153 K154 F314 F480R152-V316 CarbonylContact C-O 3.57Å; R152-V316 VanDerWaalsContact CA-O 3.27Å; R152-V316 WeakPolarHBondContact CA-O 3.27Å; R152-V316 HydrophobicContact CG-CB 4.09Å; R152-V316 HydrophobicContact CG-CG2 4.27Å; N153-V316 VanDerWaalsContact CG-O 3.24Å; N153-V316 PolarHBondContact N-O 2.88Å; N153-V316 PolarHBondContact ND2-O 3.14Å; N153-V316 VanDerWaalsContact OD1-CA 3.23Å; N153-V316 WeakPolarHBondContact OD1-CA 3.34Å; N153-V316 PolarHBondContact OD1-O 2.71Å; K154-V316 HydrophobicContact CB-CG1 4.17Å; F314-V316 PolarHBondContact O-N 3.25Å; V316-F480 HydrophobicContact CG2-CD1 4.22Å; V316-F480 HydrophobicContact CG2-CE1 3.67Å
317N96.3Very high94.7Very high1 Ų123.7 Ų23.71%0.00512%0.124CC..BIsolated β-bridgetrans-120.995.1179.4-177.6-10.2000108.7S145 Y151 Q315 K319 G320 C321 M479S145-N317 PolarHBondContact OG-ND2 3.31Å; Y151-N317 HydrophobicContact CD2-CB 3.66Å; Y151-N317 HydrophobicContact CE2-CB 4.4Å; Y151-N317 HydrophobicContact CG-CB 4.38Å; Q315-N317 PolarHBondContact O-N 3.36Å; N317-K319 VanDerWaalsContact C-N 3.28Å; N317-K319 PolarHBondContact O-N 3.4Å; N317-K319 PolarHBondContact OD1-N 3.17Å; N317-G320 PolarHBondContact O-N 3.33Å; N317-G320 PolarHBondContact OD1-N 3.01Å; N317-C321 VanDerWaalsContact O-CB 3.3Å; N317-C321 WeakPolarHBondContact O-CB 3.41Å; N317-C321 PolarHBondContact O-N 3.28Å; N317-M479 HydrophobicContact CB-CE 4.16Å; N317-M479 WeakPolarHBondContact CB-O 3.35Å; N317-M479 PolarHBondContact ND2-O 3.39Å
318T95.7Very high94.9Very high19 Ų1921.1 Ų21.112%0.11711%0.114CC..Hα-helixtrans-56.1-41.5-176.4-50.70000112N153 E299 R300 L301 C321 E322N153-T318 PolarHBondContact ND2-OG1 3.07Å; E299-T318 HydrophobicContact CG-CG2 4.01Å; E299-T318 PolarHBondContact OE2-OG1 2.99Å; R300-T318 WeakPolarHBondContact O-CG2 3.41Å; L301-T318 HydrophobicContact CD2-CG2 3.57Å; L301-T318 HydrophobicContact CG-CG2 4.37Å; T318-C321 WeakPolarHBondContact O-CB 3.13Å; T318-C321 PolarHBondContact O-N 3.16Å; T318-E322 PolarHBondContact O-N 3.39Å
319K96.8Very high95.1Very high90 Ų9022.1 Ų22.139%0.39112%0.119SC..Hα-helixtrans-77-34.8-179.2-67.4-49.5-170.3-174.20113.8P146 K147 N317 C321 E322P146-K319 HydrophobicContact CB-CB 4.25Å; P146-K319 HydrophobicContact CG-CB 4.37Å; K147-K319 HydrophobicContact CB-CB 3.96Å; K147-K319 HydrophobicContact CB-CG 4.3Å; N317-K319 VanDerWaalsContact C-N 3.28Å; N317-K319 PolarHBondContact O-N 3.4Å; N317-K319 PolarHBondContact OD1-N 3.17Å; K319-C321 VanDerWaalsContact C-N 3.29Å; K319-E322 WeakPolarHBondContact CD-OE2 3.34Å; K319-E322 VanDerWaalsContact NZ-CD 3.25Å; K319-E322 IonicContact NZ-OE1 3.17Å; K319-E322 PolarHBondContact NZ-OE1 3.12Å; K319-E322 IonicContact NZ-OE2 3.85Å; K319-E322 PolarHBondContact NZ-OE2 2.93Å
320G97.4Very high95.3Very high0 Ų025.7 Ų25.70%013%0.134CC..Hα-helixtrans-62.8-39.4167.300000111.4N317 E322 V323 L324 M479N317-G320 PolarHBondContact O-N 3.33Å; N317-G320 PolarHBondContact OD1-N 3.01Å; G320-E322 VanDerWaalsContact C-N 3.3Å; G320-E322 PolarHBondContact O-N 2.77Å; G320-V323 WeakPolarHBondContact O-CA 3.47Å; G320-V323 WeakPolarHBondContact O-CB 3.4Å; G320-V323 PolarHBondContact O-N 2.79Å; G320-L324 PolarHBondContact O-N 2.62Å; G320-M479 WeakPolarHBondContact CA-SD 3.5Å
321C96.9Very high95.5Very high1 Ų125.3 Ų25.31%0.00713%0.131CC..Hα-helixtrans-61.2-39.8-178.2-172.30000111.4L301 Q315 N317 T318 K319 V323 L324 Y325 M479L301-C321 HydrophobicContact CD2-CB 3.83Å; Q315-C321 HydrophobicContact CB-CB 3.85Å; Q315-C321 HydrophobicContact CG-CB 4.34Å; N317-C321 VanDerWaalsContact O-CB 3.3Å; N317-C321 WeakPolarHBondContact O-CB 3.41Å; N317-C321 PolarHBondContact O-N 3.28Å; T318-C321 WeakPolarHBondContact O-CB 3.13Å; T318-C321 PolarHBondContact O-N 3.16Å; K319-C321 VanDerWaalsContact C-N 3.29Å; C321-V323 VanDerWaalsContact C-N 3.28Å; C321-V323 PolarHBondContact O-N 3.33Å; C321-L324 WeakPolarHBondContact O-CB 3.2Å; C321-L324 PolarHBondContact O-N 3.42Å; C321-Y325 WeakPolarHBondContact O-CB 3.29Å; C321-Y325 WeakPolarHBondContact O-CD1 3.36Å; C321-Y325 PolarHBondContact O-N 3.19Å; C321-Y325 WeakPolarHBondContact SG-CE1 3.38Å; C321-M479 HydrophobicContact CB-CE 3.98Å; C321-M479 PolarHBondContact N-SD 3.03Å; C321-M479 VanDerWaalsContact N-SD 3.43Å
322E98.1Very high95.9Very high27 Ų2723.2 Ų23.213%0.12612%0.116CC..Hα-helixtrans-58.8-38.7172.9-69.1172.6172.800112L301 F302 T318 K319 G320 S326L301-E322 HydrophobicContact CD2-CG 4.25Å; F302-E322 HydrophobicContact CD1-CB 4.33Å; F302-E322 HydrophobicContact CD1-CG 4.11Å; F302-E322 HydrophobicContact CD2-CG 4.1Å; F302-E322 HydrophobicContact CE1-CB 3.77Å; F302-E322 HydrophobicContact CE1-CG 4.02Å; F302-E322 HydrophobicContact CE2-CB 4.14Å; F302-E322 HydrophobicContact CE2-CG 4Å; F302-E322 HydrophobicContact CG-CG 4.17Å; F302-E322 VanDerWaalsContact CZ-CA 3.48Å; F302-E322 HydrophobicContact CZ-CB 3.69Å; F302-E322 HydrophobicContact CZ-CG 3.99Å; F302-E322 WeakPolarHBondContact CZ-O 3.25Å; F302-E322 PolarHBondContact N-OE1 3.17Å; T318-E322 PolarHBondContact O-N 3.39Å; K319-E322 WeakPolarHBondContact CD-OE2 3.34Å; K319-E322 VanDerWaalsContact NZ-CD 3.25Å; K319-E322 IonicContact NZ-OE1 3.17Å; K319-E322 PolarHBondContact NZ-OE1 3.12Å; K319-E322 IonicContact NZ-OE2 3.85Å; K319-E322 PolarHBondContact NZ-OE2 2.93Å; G320-E322 VanDerWaalsContact C-N 3.3Å; G320-E322 PolarHBondContact O-N 2.77Å; E322-S326 WeakPolarHBondContact O-CB 3.35Å; E322-S326 PolarHBondContact O-N 3.23Å; E322-S326 PolarHBondContact O-OG 3.27Å
323V98.6Very high96.1Very high33 Ų3328.8 Ų28.820%0.214%0.14CC..Hα-helixtrans-68.6-44.4174.91780000111.2R143 P146 G320 C321 Y325 S326 A327 V477R143-V323 HydrophobicContact CB-CG1 3.52Å; R143-V323 HydrophobicContact CG-CG1 4.36Å; P146-V323 HydrophobicContact CG-CG2 3.56Å; G320-V323 WeakPolarHBondContact O-CA 3.47Å; G320-V323 WeakPolarHBondContact O-CB 3.4Å; G320-V323 PolarHBondContact O-N 2.79Å; C321-V323 VanDerWaalsContact C-N 3.28Å; C321-V323 PolarHBondContact O-N 3.33Å; V323-Y325 VanDerWaalsContact C-N 3.34Å; V323-Y325 PolarHBondContact O-N 3.45Å; V323-S326 PolarHBondContact O-N 2.74Å; V323-A327 PolarHBondContact O-N 2.81Å; V323-V477 HydrophobicContact CB-CG1 4.38Å; V323-V477 HydrophobicContact CG1-CG1 3.98Å
324L98.3Very high96.2Very high0 Ų027.2 Ų27.20%014%0.144CC..Hα-helixtrans-57.1-48.3176.2-175.770.4000110.9G320 C321 A327 I328 V442 V477 M479 E487 L489G320-L324 PolarHBondContact O-N 2.62Å; C321-L324 WeakPolarHBondContact O-CB 3.2Å; C321-L324 PolarHBondContact O-N 3.42Å; L324-A327 PolarHBondContact O-N 2.87Å; L324-I328 HydrophobicContact CG-CD1 4.26Å; L324-I328 WeakPolarHBondContact O-CG1 3.33Å; L324-I328 PolarHBondContact O-N 2.92Å; L324-V442 HydrophobicContact CD2-CG1 4.33Å; L324-V477 HydrophobicContact CB-CG1 4.23Å; L324-V477 HydrophobicContact CD1-CB 4.01Å; L324-V477 HydrophobicContact CD1-CG1 4.32Å; L324-V477 HydrophobicContact CD1-CG2 3.95Å; L324-M479 HydrophobicContact CB-SD 4.26Å; L324-E487 HydrophobicContact CD1-CB 3.89Å; L324-E487 HydrophobicContact CD1-CG 4.45Å; L324-E487 HydrophobicContact CD2-CG 4.39Å; L324-L489 HydrophobicContact CD1-CD1 4Å; L324-L489 HydrophobicContact CD1-CD2 3.65Å; L324-L489 HydrophobicContact CD1-CG 3.81Å; L324-L489 HydrophobicContact CG-CD2 4.48Å
325Y98.2Very high96.2Very high5 Ų527.5 Ų27.52%0.0215%0.147CC..Hα-helixtrans-69.9-36.6-176.8-76.717.8000111.5L301 F302 C321 V323 A327 I328 E329 T349 I350 F353L301-Y325 HydrophobicContact CD1-CE2 4.15Å; F302-Y325 HydrophobicContact CE2-CD2 4.44Å; C321-Y325 WeakPolarHBondContact O-CB 3.29Å; C321-Y325 WeakPolarHBondContact O-CD1 3.36Å; C321-Y325 PolarHBondContact O-N 3.19Å; C321-Y325 WeakPolarHBondContact SG-CE1 3.38Å; V323-Y325 VanDerWaalsContact C-N 3.34Å; V323-Y325 PolarHBondContact O-N 3.45Å; Y325-A327 VanDerWaalsContact C-N 3.3Å; Y325-A327 PolarHBondContact O-N 2.85Å; Y325-I328 HydrophobicContact CD1-CD1 4.14Å; Y325-I328 PolarHBondContact O-N 3.49Å; Y325-E329 WeakPolarHBondContact O-CB 3.4Å; Y325-E329 PolarHBondContact O-N 3.09Å; Y325-T349 PolarHBondContact OH-OG1 2.85Å; Y325-I350 HydrophobicContact CD1-CG1 4.22Å; Y325-I350 HydrophobicContact CE1-CD1 4.11Å; Y325-I350 HydrophobicContact CE1-CG1 3.51Å; Y325-I350 HydrophobicContact CE2-CG1 3.99Å; Y325-I350 WeakPolarHBondContact OH-CG1 3.48Å; Y325-F353 HydrophobicContact CD2-CB 4.14Å; Y325-F353 HydrophobicContact CD2-CD1 4.01Å; Y325-F353 HydrophobicContact CD2-CG 4.08Å; Y325-F353 HydrophobicContact CG-CD1 4.25Å; Y325-F353 WeakPolarHBondContact O-CE1 3.24Å
326S98.3Very high96Very high53 Ų5336.8 Ų36.837%0.37119%0.187SC..Hα-helixtrans-61.5-39.9172-57.50000111.6E322 V323 E329 E330E322-S326 WeakPolarHBondContact O-CB 3.35Å; E322-S326 PolarHBondContact O-N 3.23Å; E322-S326 PolarHBondContact O-OG 3.27Å; V323-S326 PolarHBondContact O-N 2.74Å; S326-E329 PolarHBondContact O-N 2.78Å; S326-E330 PolarHBondContact O-N 2.95Å
327A98.4Very high96Very high4 Ų436.6 Ų36.63%0.03319%0.187CC..Hα-helixtrans-70.7-36.6176.200000112.6V323 L324 Y325 E330 L331 I475 V477 L489V323-A327 PolarHBondContact O-N 2.81Å; L324-A327 PolarHBondContact O-N 2.87Å; Y325-A327 VanDerWaalsContact C-N 3.3Å; Y325-A327 PolarHBondContact O-N 2.85Å; A327-E330 WeakPolarHBondContact O-CB 3.49Å; A327-E330 PolarHBondContact O-N 3.36Å; A327-L331 WeakPolarHBondContact O-CG 3.29Å; A327-L331 PolarHBondContact O-N 2.85Å; A327-L331 VanDerWaalsContact O-N 3.07Å; A327-I475 HydrophobicContact CB-CD1 4.44Å; A327-I475 HydrophobicContact CB-CG2 4.46Å; A327-V477 HydrophobicContact CB-CG2 4.44Å; A327-L489 HydrophobicContact CB-CD1 3.56Å
328I98.2Very high96Very high0 Ų039.6 Ų39.60%020%0.201CC..Hα-helixtrans-61.4-46.8170.2-64.7168.6000109.4L324 Y325 E330 L331 C332 I350 L354 V414 V440 V442 L489L324-I328 HydrophobicContact CG-CD1 4.26Å; L324-I328 WeakPolarHBondContact O-CG1 3.33Å; L324-I328 PolarHBondContact O-N 2.92Å; Y325-I328 HydrophobicContact CD1-CD1 4.14Å; Y325-I328 PolarHBondContact O-N 3.49Å; I328-E330 VanDerWaalsContact C-N 3.3Å; I328-E330 PolarHBondContact O-N 3.3Å; I328-L331 PolarHBondContact O-N 2.97Å; I328-C332 WeakPolarHBondContact O-CB 3.22Å; I328-C332 PolarHBondContact O-N 2.67Å; I328-C332 PolarHBondContact O-SG 3.27Å; I328-C332 VanDerWaalsContact O-SG 3.39Å; I328-I350 HydrophobicContact CD1-CD1 4.28Å; I328-L354 HydrophobicContact CG2-CD1 3.76Å; I328-V414 HydrophobicContact CD1-CG1 4.48Å; I328-V414 HydrophobicContact CG2-CG1 4.29Å; I328-V414 HydrophobicContact CG2-CG2 3.92Å; I328-V440 HydrophobicContact CG1-CG1 4.38Å; I328-V440 HydrophobicContact CG2-CG1 4.38Å; I328-V442 HydrophobicContact CD1-CG2 4Å; I328-L489 HydrophobicContact CD1-CD2 4.11Å; I328-L489 HydrophobicContact CG1-CD1 3.79Å; I328-L489 HydrophobicContact CG1-CD2 3.66Å; I328-L489 HydrophobicContact CG1-CG 4.39Å
329E98Very high96.1Very high22 Ų2238.7 Ų38.710%0.10320%0.195CC..Hα-helixtrans-58.6-40.6177-170.3178-156.100112Y325 S326 C332 K333 F353 L354 K356 N357Y325-E329 WeakPolarHBondContact O-CB 3.4Å; Y325-E329 PolarHBondContact O-N 3.09Å; S326-E329 PolarHBondContact O-N 2.78Å; E329-C332 PolarHBondContact O-N 3.03Å; E329-K333 HydrophobicContact CG-CD 4.03Å; E329-K333 HydrophobicContact CG-CG 4.33Å; E329-K333 WeakPolarHBondContact O-CB 3.35Å; E329-K333 WeakPolarHBondContact O-CG 3.48Å; E329-K333 PolarHBondContact O-N 3.01Å; E329-K333 WeakPolarHBondContact OE1-CE 3Å; E329-K333 IonicContact OE1-NZ 3.89Å; E329-K333 PolarHBondContact OE1-NZ 2.56Å; E329-K333 IonicContact OE2-NZ 3.86Å; E329-F353 HydrophobicContact CB-CE1 4.05Å; E329-L354 HydrophobicContact CB-CD2 3.58Å; E329-L354 HydrophobicContact CG-CD2 3.84Å; E329-K356 WeakPolarHBondContact OE1-CE 3.41Å; E329-K356 IonicContact OE1-NZ 3.71Å; E329-K356 PolarHBondContact OE1-NZ 2.86Å; E329-K356 IonicContact OE2-NZ 3.21Å; E329-N357 PolarHBondContact OE1-ND2 2.71Å
330E97.4Very high96.1Very high85 Ų8534.4 Ų34.440%0.39718%0.177SC..Hα-helixtrans-58.4-52.4174.4-172.9-169.4133.300111.4Q140 R143 S326 A327 I328 C332 K333 S334Q140-E330 PolarHBondContact NE2-OE1 3.25Å; Q140-E330 VanDerWaalsContact NE2-OE1 3.09Å; R143-E330 IonicContact CZ-OE2 3.89Å; R143-E330 IonicContact NH2-OE1 3.65Å; R143-E330 IonicContact NH2-OE2 2.96Å; R143-E330 PolarHBondContact NH2-OE2 2.96Å; S326-E330 PolarHBondContact O-N 2.95Å; A327-E330 WeakPolarHBondContact O-CB 3.49Å; A327-E330 PolarHBondContact O-N 3.36Å; I328-E330 VanDerWaalsContact C-N 3.3Å; I328-E330 PolarHBondContact O-N 3.3Å; E330-C332 VanDerWaalsContact C-N 3.34Å; E330-C332 PolarHBondContact O-N 3.3Å; E330-K333 PolarHBondContact O-N 2.96Å; E330-S334 PolarHBondContact O-N 2.87Å
331L97.4Very high96.1Very high4 Ų434.5 Ų34.52%0.02118%0.177CC..Hα-helixtrans-61.1-44.6177.6-68.6176.9000111.2A327 I328 S334 V440 N473 I475 L489 L491A327-L331 WeakPolarHBondContact O-CG 3.29Å; A327-L331 PolarHBondContact O-N 2.85Å; A327-L331 VanDerWaalsContact O-N 3.07Å; I328-L331 PolarHBondContact O-N 2.97Å; L331-S334 WeakPolarHBondContact O-CB 3.42Å; L331-S334 PolarHBondContact O-N 2.78Å; L331-S334 PolarHBondContact O-OG 2.78Å; L331-V440 HydrophobicContact CB-CG2 4.12Å; L331-V440 HydrophobicContact CD1-CG1 4.22Å; L331-V440 HydrophobicContact CD1-CG2 4.47Å; L331-N473 HydrophobicContact CD2-CB 3.77Å; L331-I475 HydrophobicContact CD1-CD1 3.94Å; L331-I475 HydrophobicContact CD1-CG1 4.44Å; L331-I475 HydrophobicContact CD2-CD1 3.73Å; L331-I475 HydrophobicContact CD2-CG1 4.41Å; L331-I475 HydrophobicContact CG-CD1 3.75Å; L331-L489 HydrophobicContact CD1-CB 3.97Å; L331-L489 HydrophobicContact CD1-CD1 4.37Å; L331-L491 HydrophobicContact CD1-CB 4.37Å; L331-L491 HydrophobicContact CD2-CB 4.13Å; L331-L491 HydrophobicContact CD2-CD2 4.23Å
332C95.5Very high96.2Very high0 Ų034.4 Ų34.40%018%0.177CC..Hα-helixtrans-60.1-47.5178.5-86.50000112.8I328 E329 E330 S334 T335 Y358 I412I328-C332 WeakPolarHBondContact O-CB 3.22Å; I328-C332 PolarHBondContact O-N 2.67Å; I328-C332 PolarHBondContact O-SG 3.27Å; I328-C332 VanDerWaalsContact O-SG 3.39Å; E329-C332 PolarHBondContact O-N 3.03Å; E330-C332 VanDerWaalsContact C-N 3.34Å; E330-C332 PolarHBondContact O-N 3.3Å; C332-S334 PolarHBondContact O-N 3.46Å; C332-T335 WeakPolarHBondContact O-CB 3.44Å; C332-T335 PolarHBondContact O-N 2.96Å; C332-T335 PolarHBondContact O-OG1 2.82Å; C332-Y358 WeakPolarHBondContact CB-OH 3.5Å; C332-Y358 PolarHBondContact SG-OH 2.86Å; C332-Y358 VanDerWaalsContact SG-OH 3.4Å; C332-I412 HydrophobicContact CB-CD1 4.44Å
333K92.8Very high96.1Very high118 Ų11833.2 Ų33.251%0.51317%0.171SC..Hα-helixtrans-67.5-23178.5-77.3179-179.5164.80113.6E329 E330 T335 N357E329-K333 HydrophobicContact CG-CD 4.03Å; E329-K333 HydrophobicContact CG-CG 4.33Å; E329-K333 WeakPolarHBondContact O-CB 3.35Å; E329-K333 WeakPolarHBondContact O-CG 3.48Å; E329-K333 PolarHBondContact O-N 3.01Å; E329-K333 WeakPolarHBondContact OE1-CE 3Å; E329-K333 IonicContact OE1-NZ 3.89Å; E329-K333 PolarHBondContact OE1-NZ 2.56Å; E329-K333 IonicContact OE2-NZ 3.86Å; E330-K333 PolarHBondContact O-N 2.96Å; K333-T335 PolarHBondContact O-N 3.34Å; K333-N357 VanDerWaalsContact CE-OD1 3.27Å; K333-N357 WeakPolarHBondContact CE-OD1 3.45Å
334S90.4Very high95.9Very high84 Ų8433.1 Ų33.159%0.58717%0.172SC*.THydrogen-bonded Turntrans-66.3-13171.481.50000112.6E330 L331 C332E330-S334 PolarHBondContact O-N 2.87Å; L331-S334 WeakPolarHBondContact O-CB 3.42Å; L331-S334 PolarHBondContact O-N 2.78Å; L331-S334 PolarHBondContact O-OG 2.78Å; C332-S334 PolarHBondContact O-N 3.46Å
335T90.1Very high95.8Very high13 Ų1333.5 Ų33.58%0.0817%0.174CC..SBendtrans-103.6148.1178.380.50000111.2C332 K333 A337 I412 F438C332-T335 WeakPolarHBondContact O-CB 3.44Å; C332-T335 PolarHBondContact O-N 2.96Å; C332-T335 PolarHBondContact O-OG1 2.82Å; K333-T335 PolarHBondContact O-N 3.34Å; T335-A337 PolarHBondContact O-N 2.94Å; T335-I412 HydrophobicContact CG2-CD1 3.84Å; T335-F438 HydrophobicContact CG2-CB 4.18Å; T335-F438 HydrophobicContact CG2-CD1 3.61Å; T335-F438 HydrophobicContact CG2-CD2 4.06Å; T335-F438 HydrophobicContact CG2-CE1 3.96Å; T335-F438 HydrophobicContact CG2-CE2 4.37Å; T335-F438 HydrophobicContact CG2-CG 3.69Å; T335-F438 HydrophobicContact CG2-CZ 4.34Å
336K88.6Confident95.5Very high200 Ų20033.7 Ų33.787%0.8718%0.178SC*.  trans-91.129.5173-64.2-178.9-179.7179.30112.1
337A94.9Very high95.4Very high10 Ų1031.3 Ų31.38%0.08316%0.161CC..  trans-71.6141.8179.500000111T335 Y358 T410 I412 F438T335-A337 PolarHBondContact O-N 2.94Å; A337-Y358 HydrophobicContact CB-CE1 4.3Å; A337-Y358 WeakPolarHBondContact O-CE1 3.26Å; A337-T410 CarbonylContact C-O 3.57Å; A337-T410 WeakPolarHBondContact CA-O 3.39Å; A337-T410 HydrophobicContact CB-CG2 4.4Å; A337-I412 HydrophobicContact CB-CB 3.73Å; A337-I412 HydrophobicContact CB-CG2 3.6Å; A337-F438 HydrophobicContact CB-CD2 4.39Å
338E95.9Very high95.3Very high63 Ų6331.1 Ų31.129%0.29416%0.159SC..SBendtrans-98-26-175.7-65178.4-104.100112.5K359 T410E338-K359 HydrophobicContact CB-CD 4.31Å; E338-K359 PolarHBondContact O-N 3.28Å; E338-K359 WeakPolarHBondContact OE2-CE 3.43Å; E338-K359 IonicContact OE2-NZ 3.59Å; E338-K359 PolarHBondContact OE2-NZ 2.88Å; E338-T410 PolarHBondContact N-O 3.06Å
339I97.2Very high95.2Very high1 Ų131.7 Ų31.71%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-124.9135.8-174.8-50.5-67.5000109.2L341 K359 H360 V406 S409 T410 C411 I412I339-L341 HydrophobicContact CG2-CD2 4.24Å; I339-K359 HydrophobicContact CD1-CB 4.23Å; I339-H360 HydrophobicContact CD1-CB 3.78Å; I339-V406 HydrophobicContact CG2-CG1 4.31Å; I339-V406 HydrophobicContact CG2-CG2 4.21Å; I339-S409 VanDerWaalsContact CG1-CB 3.44Å; I339-T410 PolarHBondContact N-O 3.23Å; I339-C411 WeakPolarHBondContact O-CA 3.07Å; I339-I412 PolarHBondContact O-N 3.28Å
340L98.1Very high95.2Very high0 Ų030.9 Ų30.90%016%0.159CC..EExtended strand (participates in β ladder)trans-100.9126.7173.4176.265.4000110.1L354 Y358 H360 V361 I362 I412 V414L340-L354 HydrophobicContact CD1-CD1 4.43Å; L340-L354 HydrophobicContact CD2-CB 3.62Å; L340-L354 HydrophobicContact CD2-CD1 3.91Å; L340-L354 HydrophobicContact CD2-CG 4.4Å; L340-Y358 HydrophobicContact CB-CD1 4.15Å; L340-Y358 HydrophobicContact CB-CD2 3.67Å; L340-Y358 HydrophobicContact CB-CE1 4.42Å; L340-Y358 HydrophobicContact CB-CE2 3.96Å; L340-Y358 HydrophobicContact CB-CG 3.77Å; L340-Y358 HydrophobicContact CD1-CE2 4.31Å; L340-Y358 HydrophobicContact CD2-CD2 4.04Å; L340-Y358 HydrophobicContact CD2-CE2 4.09Å; L340-Y358 HydrophobicContact CG-CD2 4.38Å; L340-Y358 HydrophobicContact CG-CE2 4.36Å; L340-H360 PolarHBondContact N-O 3.03Å; L340-H360 VanDerWaalsContact N-O 3.11Å; L340-V361 HydrophobicContact CB-CG1 4.43Å; L340-V361 HydrophobicContact CB-CG2 4.24Å; L340-V361 HydrophobicContact CD2-CG1 4.06Å; L340-V361 HydrophobicContact CD2-CG2 4.23Å; L340-V361 HydrophobicContact CG-CG1 4.32Å; L340-V361 WeakPolarHBondContact O-CA 3.33Å; L340-I362 PolarHBondContact O-N 3.33Å; L340-I412 WeakPolarHBondContact CA-O 3.28Å; L340-I412 HydrophobicContact CD1-CG2 4.13Å; L340-V414 HydrophobicContact CD1-CB 4.44Å; L340-V414 HydrophobicContact CD1-CG2 3.68Å
341L97.7Very high95.2Very high1 Ų126.9 Ų26.91%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-101.6106.2167.3-51.4-177.4000108.5I339 L343 I362 T401 C411 I412 G413 V414 L436I339-L341 HydrophobicContact CG2-CD2 4.24Å; L341-L343 HydrophobicContact CB-CD2 4.18Å; L341-L343 HydrophobicContact CB-CG 4.35Å; L341-L343 PolarHBondContact O-N 3.08Å; L341-I362 CarbonylContact C-O 3.41Å; L341-I362 WeakPolarHBondContact CA-O 3.38Å; L341-I362 HydrophobicContact CD2-CB 3.84Å; L341-I362 HydrophobicContact CD2-CG1 4.11Å; L341-T401 HydrophobicContact CD1-CG2 3.83Å; L341-C411 HydrophobicContact CD1-CB 4.18Å; L341-C411 HydrophobicContact CG-CB 4.2Å; L341-I412 PolarHBondContact N-O 2.85Å; L341-G413 CarbonylContact O-C 3.6Å; L341-G413 VanDerWaalsContact O-CA 3.27Å; L341-G413 WeakPolarHBondContact O-CA 3.39Å; L341-V414 PolarHBondContact O-N 3.34Å; L341-L436 HydrophobicContact CD1-CD1 4.29Å
342D97.7Very high95.2Very high0 Ų026.7 Ų26.70%014%0.14CC..EExtended strand (participates in β ladder)trans-88.8101.3174.6-169.41.7000108.7C345 G351 I362 G363 I364D342-C345 HydrophobicContact CB-CB 3.84Å; D342-C345 WeakPolarHBondContact O-CB 3.46Å; D342-C345 WeakPolarHBondContact OD1-CB 3.49Å; D342-C345 VanDerWaalsContact OD2-CB 3.3Å; D342-C345 WeakPolarHBondContact OD2-CB 3.36Å; D342-G351 WeakPolarHBondContact OD2-CA 3.46Å; D342-G351 PolarHBondContact OD2-N 2.78Å; D342-I362 PolarHBondContact N-O 2.78Å; D342-G363 CarbonylContact O-C 3.56Å; D342-G363 WeakPolarHBondContact O-CA 3.35Å; D342-I364 PolarHBondContact O-N 2.77Å
343L96.7Very high95.3Very high1 Ų127.1 Ų27.11%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-100.7129.1-171.1-56.3177000110.1L341 C345 I364 I397 V414 L415 D416 L430L341-L343 HydrophobicContact CB-CD2 4.18Å; L341-L343 HydrophobicContact CB-CG 4.35Å; L341-L343 PolarHBondContact O-N 3.08Å; L343-C345 VanDerWaalsContact C-N 3.3Å; L343-I364 HydrophobicContact CD2-CB 4.4Å; L343-I364 HydrophobicContact CD2-CD1 3.83Å; L343-I364 HydrophobicContact CD2-CG1 4.46Å; L343-I397 HydrophobicContact CD1-CD1 4.4Å; L343-I397 HydrophobicContact CD2-CG1 4.13Å; L343-V414 PolarHBondContact N-O 2.97Å; L343-L415 HydrophobicContact CB-CB 4.39Å; L343-L415 HydrophobicContact CB-CD1 3.8Å; L343-D416 PolarHBondContact O-N 3.03Å; L343-L430 HydrophobicContact CD1-CD2 3.51Å
344C94.4Very high95.6Very high32 Ų3221.6 Ų21.622%0.21612%0.117CC..THydrogen-bonded Turntrans59.744.7-165.2-56.10000110.8G346 I364 L415 D416C344-G346 PolarHBondContact O-N 3.36Å; C344-I364 WeakPolarHBondContact CA-O 3.3Å; C344-I364 PolarHBondContact N-O 3.05Å; C344-L415 HydrophobicContact CB-CD1 4.45Å; C344-D416 WeakPolarHBondContact CB-O 3.46Å
345C95.2Very high95.9Very high7 Ų717.6 Ų17.65%0.0479%0.09CC..  trans-65.7-10.7-167.765.10000114.9D342 L343 T347 G348 I364D342-C345 HydrophobicContact CB-CB 3.84Å; D342-C345 WeakPolarHBondContact O-CB 3.46Å; D342-C345 WeakPolarHBondContact OD1-CB 3.49Å; D342-C345 VanDerWaalsContact OD2-CB 3.3Å; D342-C345 WeakPolarHBondContact OD2-CB 3.36Å; L343-C345 VanDerWaalsContact C-N 3.3Å; C345-T347 PolarHBondContact O-N 3.36Å; C345-T347 VanDerWaalsContact O-N 3.16Å; C345-G348 WeakPolarHBondContact O-CA 3.48Å; C345-G348 PolarHBondContact O-N 3.13Å; C345-I364 PolarHBondContact N-O 3.09Å
346G93.6Very high96.2Very high10 Ų1023.5 Ų23.510%0.10311%0.114CC..THydrogen-bonded Turntrans55.7-121.1-175.100000110.8C344 G348 E365 A370C344-G346 PolarHBondContact O-N 3.36Å; G346-G348 PolarHBondContact O-N 3.33Å; G346-E365 WeakPolarHBondContact CA-OE2 3.36Å; G346-E365 PolarHBondContact N-OE2 3.4Å; G346-A370 CarbonylContact O-C 3.52Å; G346-A370 WeakPolarHBondContact O-CB 3.47Å
347T94.8Very high96.6Very high2 Ų216.6 Ų16.61%0.0129%0.087CC..THydrogen-bonded Turntrans-88.723.5176.767.20000113.3A312 C345 T349 A370 D373 A374 N377A312-T347 HydrophobicContact CB-CG2 3.42Å; A312-T347 VanDerWaalsContact CB-CG2 3.42Å; C345-T347 PolarHBondContact O-N 3.36Å; C345-T347 VanDerWaalsContact O-N 3.16Å; T347-T349 VanDerWaalsContact C-N 3.34Å; T347-T349 PolarHBondContact O-N 3.41Å; T347-T349 WeakPolarHBondContact OG1-CG2 3.36Å; T347-A370 HydrophobicContact CG2-CB 4.45Å; T347-D373 HydrophobicContact CG2-CB 3.65Å; T347-A374 VanDerWaalsContact C-CB 3.49Å; T347-A374 WeakPolarHBondContact O-CA 3.28Å; T347-N377 PolarHBondContact O-ND2 2.84Å
348G96.3Very high96.6Very high0 Ų017.1 Ų17.10%09%0.087CC..THydrogen-bonded Turntrans72.218.8173.800000115.3C345 G346 I350 G351 V352C345-G348 WeakPolarHBondContact O-CA 3.48Å; C345-G348 PolarHBondContact O-N 3.13Å; G346-G348 PolarHBondContact O-N 3.33Å; G348-I350 PolarHBondContact O-N 3.11Å; G348-G351 PolarHBondContact O-N 2.97Å; G348-V352 WeakPolarHBondContact O-CB 3.41Å; G348-V352 WeakPolarHBondContact O-CG2 3.2Å; G348-V352 PolarHBondContact O-N 3.1Å
349T96.8Very high96.6Very high12 Ų1220.4 Ų20.47%0.07410%0.1CC..Hα-helixtrans-65.1-39.9-168.960.30000113.6F306 F314 Y325 T347 F353F306-T349 HydrophobicContact CD1-CG2 3.72Å; F306-T349 HydrophobicContact CE1-CG2 4.02Å; F306-T349 HydrophobicContact CG-CG2 4.03Å; F314-T349 HydrophobicContact CD2-CG2 4.02Å; F314-T349 HydrophobicContact CE2-CG2 3.72Å; Y325-T349 PolarHBondContact OH-OG1 2.85Å; T347-T349 VanDerWaalsContact C-N 3.34Å; T347-T349 PolarHBondContact O-N 3.41Å; T347-T349 WeakPolarHBondContact OG1-CG2 3.36Å; T349-F353 VanDerWaalsContact O-CB 3.32Å; T349-F353 WeakPolarHBondContact O-CB 3.11Å; T349-F353 PolarHBondContact O-N 2.9Å
350I97.4Very high96.6Very high6 Ų623.6 Ų23.63%0.03112%0.115CC..Hα-helixtrans-69.9-51.3177.7-64.8170.8000109.6Y325 I328 G348 V352 F353 L354 V414 D416Y325-I350 HydrophobicContact CD1-CG1 4.22Å; Y325-I350 HydrophobicContact CE1-CD1 4.11Å; Y325-I350 HydrophobicContact CE1-CG1 3.51Å; Y325-I350 HydrophobicContact CE2-CG1 3.99Å; Y325-I350 WeakPolarHBondContact OH-CG1 3.48Å; I328-I350 HydrophobicContact CD1-CD1 4.28Å; G348-I350 PolarHBondContact O-N 3.11Å; I350-V352 PolarHBondContact O-N 2.8Å; I350-F353 PolarHBondContact O-N 2.9Å; I350-F353 VanDerWaalsContact O-N 3.16Å; I350-L354 HydrophobicContact CG2-CD1 3.67Å; I350-L354 HydrophobicContact CG2-CG 4.32Å; I350-L354 WeakPolarHBondContact O-CG 3.37Å; I350-L354 PolarHBondContact O-N 2.84Å; I350-V414 HydrophobicContact CD1-CG1 4.18Å; I350-V414 HydrophobicContact CG2-CB 4.35Å; I350-V414 HydrophobicContact CG2-CG1 4.02Å; I350-V414 HydrophobicContact CG2-CG2 4.48Å; I350-D416 HydrophobicContact CD1-CB 4.06Å
351G97.7Very high96.6Very high0 Ų023.6 Ų23.60%012%0.115CC..Hα-helixtrans-55.5-48.9179.600000112.9D342 G348 F353 L354 A355D342-G351 WeakPolarHBondContact OD2-CA 3.46Å; D342-G351 PolarHBondContact OD2-N 2.78Å; G348-G351 PolarHBondContact O-N 2.97Å; G351-F353 PolarHBondContact O-N 2.77Å; G351-L354 PolarHBondContact O-N 3.27Å; G351-A355 WeakPolarHBondContact O-CB 3.41Å; G351-A355 PolarHBondContact O-N 3.45Å
352V98.1Very high96.6Very high1 Ų123.7 Ų23.71%0.00612%0.115CC..Hα-helixtrans-60.9-43.8176.4171.70000111.4M304 F306 G348 I350 L354 A355 A378 N381 V383 Y388M304-V352 HydrophobicContact SD-CG1 4.17Å; F306-V352 HydrophobicContact CE1-CB 3.95Å; F306-V352 HydrophobicContact CE1-CG1 3.92Å; F306-V352 HydrophobicContact CE1-CG2 4.46Å; F306-V352 HydrophobicContact CZ-CB 4.3Å; F306-V352 HydrophobicContact CZ-CG1 4.07Å; G348-V352 WeakPolarHBondContact O-CB 3.41Å; G348-V352 WeakPolarHBondContact O-CG2 3.2Å; G348-V352 PolarHBondContact O-N 3.1Å; I350-V352 PolarHBondContact O-N 2.8Å; V352-L354 PolarHBondContact O-N 3.28Å; V352-A355 PolarHBondContact O-N 2.93Å; V352-A378 HydrophobicContact CG2-CB 4.13Å; V352-N381 HydrophobicContact CG1-CB 3.89Å; V352-V383 HydrophobicContact CG1-CG2 3.98Å; V352-Y388 WeakPolarHBondContact CG2-OH 3.18Å
353F98Very high96.6Very high9 Ų923.7 Ų23.74%0.03912%0.115CC..Hα-helixtrans-62.5-42.4179.2170.8-107.5000112.9F302 M304 Y325 E329 T349 I350 G351F302-F353 HydrophobicContact CD1-CE2 4.44Å; F302-F353 AromaticContact CD2-CD2 3.66Å; F302-F353 HydrophobicContact CD2-CD2 3.66Å; F302-F353 AromaticContact CD2-CE2 3.51Å; F302-F353 HydrophobicContact CD2-CE2 3.51Å; F302-F353 HydrophobicContact CD2-CZ 4.37Å; F302-F353 HydrophobicContact CE1-CE2 4.23Å; F302-F353 HydrophobicContact CE1-CZ 4.43Å; F302-F353 AromaticContact CE2-CD2 3.61Å; F302-F353 HydrophobicContact CE2-CD2 3.61Å; F302-F353 HydrophobicContact CE2-CE1 4.34Å; F302-F353 AromaticContact CE2-CE2 3.25Å; F302-F353 HydrophobicContact CE2-CE2 3.25Å; F302-F353 HydrophobicContact CE2-CG 4.29Å; F302-F353 AromaticContact CE2-CZ 3.68Å; F302-F353 HydrophobicContact CE2-CZ 3.68Å; F302-F353 HydrophobicContact CG-CE2 4.08Å; F302-F353 HydrophobicContact CZ-CD2 4.41Å; F302-F353 HydrophobicContact CZ-CE1 4.5Å; F302-F353 AromaticContact CZ-CE2 3.62Å; F302-F353 HydrophobicContact CZ-CE2 3.62Å; F302-F353 AromaticContact CZ-CZ 3.68Å; F302-F353 HydrophobicContact CZ-CZ 3.68Å; M304-F353 HydrophobicContact CE-CD2 4.34Å; M304-F353 HydrophobicContact SD-CB 4.17Å; M304-F353 HydrophobicContact SD-CD2 4.2Å; Y325-F353 HydrophobicContact CD2-CB 4.14Å; Y325-F353 HydrophobicContact CD2-CD1 4.01Å; Y325-F353 HydrophobicContact CD2-CG 4.08Å; Y325-F353 HydrophobicContact CG-CD1 4.25Å; Y325-F353 WeakPolarHBondContact O-CE1 3.24Å; E329-F353 HydrophobicContact CB-CE1 4.05Å; T349-F353 VanDerWaalsContact O-CB 3.32Å; T349-F353 WeakPolarHBondContact O-CB 3.11Å; T349-F353 PolarHBondContact O-N 2.9Å; I350-F353 PolarHBondContact O-N 2.9Å; I350-F353 VanDerWaalsContact O-N 3.16Å; G351-F353 PolarHBondContact O-N 2.77Å
354L97.7Very high96.6Very high1 Ų123.7 Ų23.71%0.00512%0.116CC..Hα-helixtrans-84.9-13-177-65178.7000113.7I328 E329 L340 I350 G351 V352 K356 N357 Y358 V414I328-L354 HydrophobicContact CG2-CD1 3.76Å; E329-L354 HydrophobicContact CB-CD2 3.58Å; E329-L354 HydrophobicContact CG-CD2 3.84Å; L340-L354 HydrophobicContact CD1-CD1 4.43Å; L340-L354 HydrophobicContact CD2-CB 3.62Å; L340-L354 HydrophobicContact CD2-CD1 3.91Å; L340-L354 HydrophobicContact CD2-CG 4.4Å; I350-L354 HydrophobicContact CG2-CD1 3.67Å; I350-L354 HydrophobicContact CG2-CG 4.32Å; I350-L354 WeakPolarHBondContact O-CG 3.37Å; I350-L354 PolarHBondContact O-N 2.84Å; G351-L354 PolarHBondContact O-N 3.27Å; V352-L354 PolarHBondContact O-N 3.28Å; L354-K356 PolarHBondContact O-N 2.83Å; L354-N357 WeakPolarHBondContact O-CB 3.5Å; L354-N357 PolarHBondContact O-N 3.29Å; L354-Y358 HydrophobicContact CB-CD2 4.36Å; L354-Y358 HydrophobicContact CB-CE2 4.14Å; L354-Y358 WeakPolarHBondContact O-CD2 3.46Å; L354-V414 HydrophobicContact CD1-CG2 4.33Å
355A97.6Very high96.6Very high1 Ų123.4 Ų23.41%0.00811%0.111CC..G310 helixtrans-53.5-33.7-170.500000114.4G351 V352 N357 Y358 V361 V383 H385G351-A355 WeakPolarHBondContact O-CB 3.41Å; G351-A355 PolarHBondContact O-N 3.45Å; V352-A355 PolarHBondContact O-N 2.93Å; A355-N357 PolarHBondContact O-N 2.88Å; A355-Y358 PolarHBondContact O-N 2.86Å; A355-Y358 VanDerWaalsContact O-N 3.13Å; A355-Y358 VanDerWaalsContact O-O 3.1Å; A355-V361 HydrophobicContact CB-CG2 3.78Å; A355-V383 HydrophobicContact CB-CG1 3.33Å; A355-V383 HydrophobicContact CB-CG2 4.4Å; A355-H385 PolarHBondContact O-NE2 3.03Å
356K95.9Very high96.5Very high136 Ų13629.3 Ų29.359%0.59114%0.136SC*.G310 helixtrans-58.2-19.8176.568.8-175.1179-174.60114.1E329 L354E329-K356 WeakPolarHBondContact OE1-CE 3.41Å; E329-K356 IonicContact OE1-NZ 3.71Å; E329-K356 PolarHBondContact OE1-NZ 2.86Å; E329-K356 IonicContact OE2-NZ 3.21Å; L354-K356 PolarHBondContact O-N 2.83Å
357N95.9Very high96.3Very high56 Ų5631.3 Ų31.330%0.29915%0.146SC..G310 helixtrans-97-4-177.4-57.8-47.2000113.2E329 K333 L354 A355E329-N357 PolarHBondContact OE1-ND2 2.71Å; K333-N357 VanDerWaalsContact CE-OD1 3.27Å; K333-N357 WeakPolarHBondContact CE-OD1 3.45Å; L354-N357 WeakPolarHBondContact O-CB 3.5Å; L354-N357 PolarHBondContact O-N 3.29Å; A355-N357 PolarHBondContact O-N 2.88Å
358Y96.7Very high96.1Very high21 Ų2137.4 Ų37.48%0.08217%0.172CC..SBendtrans-131.7153.8-171.1-65.2-76000112.2C332 A337 L340 L354 A355 H385 I412C332-Y358 WeakPolarHBondContact CB-OH 3.5Å; C332-Y358 PolarHBondContact SG-OH 2.86Å; C332-Y358 VanDerWaalsContact SG-OH 3.4Å; A337-Y358 HydrophobicContact CB-CE1 4.3Å; A337-Y358 WeakPolarHBondContact O-CE1 3.26Å; L340-Y358 HydrophobicContact CB-CD1 4.15Å; L340-Y358 HydrophobicContact CB-CD2 3.67Å; L340-Y358 HydrophobicContact CB-CE1 4.42Å; L340-Y358 HydrophobicContact CB-CE2 3.96Å; L340-Y358 HydrophobicContact CB-CG 3.77Å; L340-Y358 HydrophobicContact CD1-CE2 4.31Å; L340-Y358 HydrophobicContact CD2-CD2 4.04Å; L340-Y358 HydrophobicContact CD2-CE2 4.09Å; L340-Y358 HydrophobicContact CG-CD2 4.38Å; L340-Y358 HydrophobicContact CG-CE2 4.36Å; L354-Y358 HydrophobicContact CB-CD2 4.36Å; L354-Y358 HydrophobicContact CB-CE2 4.14Å; L354-Y358 WeakPolarHBondContact O-CD2 3.46Å; A355-Y358 PolarHBondContact O-N 2.86Å; A355-Y358 VanDerWaalsContact O-N 3.13Å; A355-Y358 VanDerWaalsContact O-O 3.1Å; Y358-H385 PolarHBondContact O-CD2 3.41Å; Y358-H385 PolarHBondContact O-NE2 3.16Å; Y358-I412 HydrophobicContact CE1-CG2 3.59Å; Y358-I412 WeakPolarHBondContact OH-CG2 3.36Å
359K95.2Very high95.8Very high131 Ų13141.9 Ų41.957%0.5719%0.193SC*.SBendtrans-71.2-39.8176.9-66.9-1761781760111.8E338 I339 H385E338-K359 HydrophobicContact CB-CD 4.31Å; E338-K359 PolarHBondContact O-N 3.28Å; E338-K359 WeakPolarHBondContact OE2-CE 3.43Å; E338-K359 IonicContact OE2-NZ 3.59Å; E338-K359 PolarHBondContact OE2-NZ 2.88Å; I339-K359 HydrophobicContact CD1-CB 4.23Å; K359-H385 PolarHBondContact O-CD2 3.19Å; K359-H385 VanDerWaalsContact O-CD2 3.3Å
360H96.5Very high95.6Very high68 Ų6841.5 Ų41.532%0.31519%0.191SC..EExtended strand (participates in β ladder)trans-143.8151.8174-71.2-73.6000110.6I339 L340I339-H360 HydrophobicContact CD1-CB 3.78Å; L340-H360 PolarHBondContact N-O 3.03Å; L340-H360 VanDerWaalsContact N-O 3.11Å
361V97.9Very high95.5Very high1 Ų141.5 Ų41.51%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-121.2128.8172.3-178.90000108.4L340 A355 H385 C386 E387L340-V361 HydrophobicContact CB-CG1 4.43Å; L340-V361 HydrophobicContact CB-CG2 4.24Å; L340-V361 HydrophobicContact CD2-CG1 4.06Å; L340-V361 HydrophobicContact CD2-CG2 4.23Å; L340-V361 HydrophobicContact CG-CG1 4.32Å; L340-V361 WeakPolarHBondContact O-CA 3.33Å; A355-V361 HydrophobicContact CB-CG2 3.78Å; V361-H385 PolarHBondContact N-O 2.96Å; V361-C386 HydrophobicContact CB-CB 4.48Å; V361-C386 CarbonylContact O-C 3.57Å; V361-C386 VanDerWaalsContact O-CA 3.3Å; V361-C386 WeakPolarHBondContact O-CA 3.43Å; V361-E387 PolarHBondContact O-N 2.9Å
362I97.7Very high95.4Very high2 Ų246 Ų461%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-114.8116.4175-55.5-61.4000108.4L340 L341 D342 E387 F389 V400 V406L340-I362 PolarHBondContact O-N 3.33Å; L341-I362 CarbonylContact C-O 3.41Å; L341-I362 WeakPolarHBondContact CA-O 3.38Å; L341-I362 HydrophobicContact CD2-CB 3.84Å; L341-I362 HydrophobicContact CD2-CG1 4.11Å; D342-I362 PolarHBondContact N-O 2.78Å; I362-E387 CarbonylContact C-O 3.52Å; I362-E387 WeakPolarHBondContact CA-O 3.37Å; I362-E387 HydrophobicContact CD1-CB 3.88Å; I362-F389 HydrophobicContact CD1-CE2 4.44Å; I362-F389 HydrophobicContact CG2-CD2 3.81Å; I362-F389 HydrophobicContact CG2-CE2 3.81Å; I362-V400 HydrophobicContact CG2-CB 3.98Å; I362-V400 HydrophobicContact CG2-CG1 4.06Å; I362-V400 HydrophobicContact CG2-CG2 4.23Å; I362-V406 HydrophobicContact CG1-CG2 4.19Å
363G97.9Very high95.3Very high0 Ų046 Ų460%021%0.212CC..EExtended strand (participates in β ladder)trans-97132.2173.700000112D342 E387 Y388 F389D342-G363 CarbonylContact O-C 3.56Å; D342-G363 WeakPolarHBondContact O-CA 3.35Å; G363-E387 PolarHBondContact N-O 3.3Å; G363-Y388 WeakPolarHBondContact O-CA 3.49Å; G363-F389 PolarHBondContact O-N 2.89Å
364I97.3Very high95.3Very high2 Ų245.5 Ų45.51%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-116.2127.3169.4-64.1167.6000109D342 L343 C344 C345 F389 A393 L396 I397 V400D342-I364 PolarHBondContact O-N 2.77Å; L343-I364 HydrophobicContact CD2-CB 4.4Å; L343-I364 HydrophobicContact CD2-CD1 3.83Å; L343-I364 HydrophobicContact CD2-CG1 4.46Å; C344-I364 WeakPolarHBondContact CA-O 3.3Å; C344-I364 PolarHBondContact N-O 3.05Å; C345-I364 PolarHBondContact N-O 3.09Å; I364-F389 HydrophobicContact CG1-CB 4.48Å; I364-A393 HydrophobicContact CG2-CB 4.43Å; I364-L396 HydrophobicContact CD1-CB 3.78Å; I364-L396 HydrophobicContact CG1-CB 4.25Å; I364-L396 HydrophobicContact CG1-CD1 4.49Å; I364-L396 HydrophobicContact CG2-CB 4.27Å; I364-L396 HydrophobicContact CG2-CD1 3.75Å; I364-I397 HydrophobicContact CD1-CG1 4.3Å; I364-V400 HydrophobicContact CD1-CG1 4.19Å; I364-V400 HydrophobicContact CD1-CG2 3.88Å; I364-V400 HydrophobicContact CG1-CG1 4.44Å
365E95.2Very high95.3Very high25 Ų2551 Ų5112%0.11723%0.234CC..EExtended strand (participates in β ladder)trans-146143.6177.3173.251.9-120.500110.4G346 V367 A370 V371 F389 C390 G391G346-E365 WeakPolarHBondContact CA-OE2 3.36Å; G346-E365 PolarHBondContact N-OE2 3.4Å; E365-V367 HydrophobicContact CG-CB 4.44Å; E365-V367 PolarHBondContact OE1-N 3.28Å; E365-A370 HydrophobicContact CG-CB 3.83Å; E365-V371 HydrophobicContact CB-CG2 3.73Å; E365-V371 HydrophobicContact CG-CG2 4.1Å; E365-F389 PolarHBondContact N-O 2.98Å; E365-F389 VanDerWaalsContact N-O 3.13Å; E365-C390 CarbonylContact O-C 3.54Å; E365-C390 WeakPolarHBondContact O-CA 3.22Å; E365-G391 CarbonylContact C-O 3.5Å; E365-G391 PolarHBondContact O-N 3.29Å
366F91.5Very high95.2Very high132 Ų13254.8 Ų54.858%0.57925%0.252SS*.SBendtrans-86.7-27.8-177.9179.6-99.8000112.7G391 K392F366-G391 WeakPolarHBondContact CA-O 3.39Å; F366-G391 PolarHBondContact N-O 3.42Å; F366-K392 HydrophobicContact CD2-CG 3.69Å; F366-K392 HydrophobicContact CE2-CG 3.88Å
367V89.1Confident95.3Very high52 Ų5248.4 Ų48.432%0.31522%0.224SC..  trans-84.1114.4179.7-178.50000110.5E365 E369 A370 V371E365-V367 HydrophobicContact CG-CB 4.44Å; E365-V367 PolarHBondContact OE1-N 3.28Å; V367-E369 VanDerWaalsContact C-N 3.35Å; V367-E369 HydrophobicContact CG1-CB 4.45Å; V367-E369 WeakPolarHBondContact CG1-OE2 3.49Å; V367-E369 PolarHBondContact O-N 3.41Å; V367-A370 HydrophobicContact CB-CB 3.96Å; V367-A370 HydrophobicContact CG1-CB 4.11Å; V367-A370 WeakPolarHBondContact O-CB 3.33Å; V367-A370 PolarHBondContact O-N 3.13Å; V367-A370 VanDerWaalsContact O-N 3.07Å; V367-V371 PolarHBondContact O-N 2.88Å; V367-V371 VanDerWaalsContact O-N 3.12Å
368K91.6Very high95.4Very high129 Ų12946 Ų4656%0.56121%0.212SC*.Hα-helixtrans-56.8-44.4-177-173.2-173.7175.9-1640113A370 V371 E372K368-A370 PolarHBondContact O-N 3.44Å; K368-V371 WeakPolarHBondContact O-CB 3.46Å; K368-V371 PolarHBondContact O-N 3.01Å; K368-E372 VanDerWaalsContact CE-OE1 3.26Å; K368-E372 WeakPolarHBondContact CE-OE1 3.2Å; K368-E372 IonicContact NZ-OE1 2.85Å; K368-E372 PolarHBondContact O-N 2.88Å
369E89.8Confident95.5Very high95 Ų9548.9 Ų48.944%0.44424%0.235SC..Hα-helixtrans-63.7-33.4179.7-61.783.7172.400111.7V367 E372 D373V367-E369 VanDerWaalsContact C-N 3.35Å; V367-E369 HydrophobicContact CG1-CB 4.45Å; V367-E369 WeakPolarHBondContact CG1-OE2 3.49Å; V367-E369 PolarHBondContact O-N 3.41Å; E369-E372 PolarHBondContact O-N 2.84Å; E369-D373 PolarHBondContact O-N 3.47Å
370A92Very high95.5Very high3 Ų345.1 Ų45.13%0.02523%0.229CC..Hα-helixtrans-71-37176.400000111.4G346 T347 E365 V367 K368 D373 A374G346-A370 CarbonylContact O-C 3.52Å; G346-A370 WeakPolarHBondContact O-CB 3.47Å; T347-A370 HydrophobicContact CG2-CB 4.45Å; E365-A370 HydrophobicContact CG-CB 3.83Å; V367-A370 HydrophobicContact CB-CB 3.96Å; V367-A370 HydrophobicContact CG1-CB 4.11Å; V367-A370 WeakPolarHBondContact O-CB 3.33Å; V367-A370 PolarHBondContact O-N 3.13Å; V367-A370 VanDerWaalsContact O-N 3.07Å; K368-A370 PolarHBondContact O-N 3.44Å; A370-D373 PolarHBondContact O-N 3.33Å; A370-A374 WeakPolarHBondContact O-CB 3.09Å; A370-A374 PolarHBondContact O-N 3.2Å
371V95.8Very high95.6Very high6 Ų643.5 Ų43.54%0.03622%0.222CC..Hα-helixtrans-63.2-39.9171.5172.70000111.9E365 V367 K368 A374 K375 C390E365-V371 HydrophobicContact CB-CG2 3.73Å; E365-V371 HydrophobicContact CG-CG2 4.1Å; V367-V371 PolarHBondContact O-N 2.88Å; V367-V371 VanDerWaalsContact O-N 3.12Å; K368-V371 WeakPolarHBondContact O-CB 3.46Å; K368-V371 PolarHBondContact O-N 3.01Å; V371-A374 PolarHBondContact O-N 2.78Å; V371-K375 WeakPolarHBondContact O-CG 3.37Å; V371-K375 PolarHBondContact O-N 2.81Å; V371-C390 HydrophobicContact CG2-CB 4.03Å
372E95.7Very high95.6Very high94 Ų9451.4 Ų51.444%0.43926%0.259SS..Hα-helixtrans-64-45.3175.1-70.7174.3-173.900111.2K368 E369 A374 K375 E376K368-E372 VanDerWaalsContact CE-OE1 3.26Å; K368-E372 WeakPolarHBondContact CE-OE1 3.2Å; K368-E372 IonicContact NZ-OE1 2.85Å; K368-E372 PolarHBondContact O-N 2.88Å; E369-E372 PolarHBondContact O-N 2.84Å; E372-A374 VanDerWaalsContact C-N 3.31Å; E372-A374 PolarHBondContact O-N 2.92Å; E372-K375 PolarHBondContact O-N 3.31Å; E372-E376 PolarHBondContact O-N 2.83Å; E372-E376 VanDerWaalsContact O-N 3.1Å
373D96Very high95.6Very high1 Ų152.3 Ų52.31%0.00527%0.265CS..Hα-helixtrans-61-38.6172.5-76-17.8000111.7R307 S309 T347 E369 A370 K375 E376 N377R307-D373 IonicContact CZ-OD1 3.65Å; R307-D373 IonicContact NE-OD1 2.77Å; R307-D373 PolarHBondContact NE-OD1 3.46Å; R307-D373 IonicContact NH2-OD1 3.55Å; S309-D373 WeakPolarHBondContact CB-OD2 3.44Å; S309-D373 PolarHBondContact N-OD2 2.9Å; S309-D373 PolarHBondContact OG-OD1 3.15Å; S309-D373 PolarHBondContact OG-OD2 2.95Å; T347-D373 HydrophobicContact CG2-CB 3.65Å; E369-D373 PolarHBondContact O-N 3.47Å; A370-D373 PolarHBondContact O-N 3.33Å; D373-K375 PolarHBondContact O-N 3.02Å; D373-E376 PolarHBondContact O-N 2.62Å; D373-N377 VanDerWaalsContact O-CB 3.25Å; D373-N377 WeakPolarHBondContact O-CB 3.47Å; D373-N377 PolarHBondContact O-N 3.14Å; D373-N377 PolarHBondContact O-ND2 3.02Å; D373-N377 VanDerWaalsContact O-ND2 3.1Å
374A97.4Very high95.4Very high0 Ų061.6 Ų61.60%031%0.305CS..Hα-helixtrans-63.8-40.517900000112.8T347 A370 V371 E372 N377 A378 Y388T347-A374 VanDerWaalsContact C-CB 3.49Å; T347-A374 WeakPolarHBondContact O-CA 3.28Å; A370-A374 WeakPolarHBondContact O-CB 3.09Å; A370-A374 PolarHBondContact O-N 3.2Å; V371-A374 PolarHBondContact O-N 2.78Å; E372-A374 VanDerWaalsContact C-N 3.31Å; E372-A374 PolarHBondContact O-N 2.92Å; A374-N377 PolarHBondContact O-N 3.06Å; A374-A378 WeakPolarHBondContact O-CB 3.32Å; A374-A378 PolarHBondContact O-N 3.31Å; A374-Y388 HydrophobicContact CB-CD1 3.7Å; A374-Y388 HydrophobicContact CB-CD2 4.31Å; A374-Y388 HydrophobicContact CB-CE1 3.56Å; A374-Y388 HydrophobicContact CB-CE2 4.15Å; A374-Y388 HydrophobicContact CB-CG 4.09Å; A374-Y388 WeakPolarHBondContact O-CE2 3.4Å; A374-Y388 PolarHBondContact O-OH 3.48Å
375K97.8Very high95.3Very high117 Ų11764.4 Ų64.451%0.50932%0.318SS..Hα-helixtrans-64-46.4173.9-71.6173.5-178.3-177.10111.5V371 E372 D373 N377 A378 S379 Y388V371-K375 WeakPolarHBondContact O-CG 3.37Å; V371-K375 PolarHBondContact O-N 2.81Å; E372-K375 PolarHBondContact O-N 3.31Å; D373-K375 PolarHBondContact O-N 3.02Å; K375-N377 VanDerWaalsContact C-N 3.33Å; K375-N377 PolarHBondContact O-N 2.69Å; K375-A378 PolarHBondContact O-N 2.95Å; K375-S379 WeakPolarHBondContact O-CB 3.24Å; K375-S379 PolarHBondContact O-N 2.85Å; K375-Y388 HydrophobicContact CG-CD2 3.68Å; K375-Y388 HydrophobicContact CG-CE2 4.42Å; K375-Y388 HydrophobicContact CG-CG 4.37Å
376E97.3Very high95.4Very high80 Ų8064.3 Ų64.337%0.37432%0.32SS..Hα-helixtrans-62.7-41.3176.8-17558.7-15500111.3E372 D373 S379 A380E372-E376 PolarHBondContact O-N 2.83Å; E372-E376 VanDerWaalsContact O-N 3.1Å; D373-E376 PolarHBondContact O-N 2.62Å; E376-S379 PolarHBondContact O-N 2.96Å; E376-A380 VanDerWaalsContact O-CB 3.22Å; E376-A380 WeakPolarHBondContact O-CB 3.39Å; E376-A380 PolarHBondContact O-N 3.35Å
377N97.8Very high95.7Very high1 Ų162.2 Ų62.21%0.00531%0.312CS..Hα-helixtrans-65.7-41.4178.4-72-25.5000112.5F306 R307 T347 D373 A374 K375 N381F306-N377 WeakPolarHBondContact CA-OD1 3.37Å; F306-N377 HydrophobicContact CD1-CB 3.92Å; F306-N377 HydrophobicContact CE1-CB 4.36Å; R307-N377 WeakPolarHBondContact CB-OD1 3.25Å; R307-N377 PolarHBondContact N-OD1 3.31Å; R307-N377 PolarHBondContact O-ND2 3.02Å; T347-N377 PolarHBondContact O-ND2 2.84Å; D373-N377 VanDerWaalsContact O-CB 3.25Å; D373-N377 WeakPolarHBondContact O-CB 3.47Å; D373-N377 PolarHBondContact O-N 3.14Å; D373-N377 PolarHBondContact O-ND2 3.02Å; D373-N377 VanDerWaalsContact O-ND2 3.1Å; A374-N377 PolarHBondContact O-N 3.06Å; K375-N377 VanDerWaalsContact C-N 3.33Å; K375-N377 PolarHBondContact O-N 2.69Å; N377-N381 PolarHBondContact O-N 3.21Å; N377-N381 VanDerWaalsContact O-N 3.14Å; N377-N381 PolarHBondContact O-ND2 3.07Å
378A98.2Very high96.1Very high5 Ų560.6 Ų60.64%0.04130%0.3CS..Hα-helixtrans-61.1-47.4173.700000111V352 A374 K375 N381 E382 V383 C386 Y388V352-A378 HydrophobicContact CG2-CB 4.13Å; A374-A378 WeakPolarHBondContact O-CB 3.32Å; A374-A378 PolarHBondContact O-N 3.31Å; K375-A378 PolarHBondContact O-N 2.95Å; A378-N381 CarbonylContact O-C 3.52Å; A378-N381 PolarHBondContact O-N 2.94Å; A378-E382 PolarHBondContact O-N 2.81Å; A378-V383 PolarHBondContact O-N 3Å; A378-C386 HydrophobicContact CB-CB 4.08Å; A378-Y388 HydrophobicContact CB-CE2 3.89Å
379S97.5Very high96.3Very high82 Ų8256.7 Ų56.757%0.57328%0.283SS*.Hα-helixtrans-59.8-49177-173.90000112.4K375 E376 N381 E382K375-S379 WeakPolarHBondContact O-CB 3.24Å; K375-S379 PolarHBondContact O-N 2.85Å; E376-S379 PolarHBondContact O-N 2.96Å; S379-N381 PolarHBondContact O-N 3.37Å; S379-E382 PolarHBondContact O-N 3.41Å
380A96.6Very high96.7Very high53 Ų5355.5 Ų55.544%0.43828%0.284SS..Hα-helixtrans-66.1-22.2-177.700000114E376E376-A380 VanDerWaalsContact O-CB 3.22Å; E376-A380 WeakPolarHBondContact O-CB 3.39Å; E376-A380 PolarHBondContact O-N 3.35Å
381N98Very high96.8Very high33 Ų3356.2 Ų56.218%0.17629%0.292CS..THydrogen-bonded Turntrans-103.314.6173.5-64.3-78.8000112.5M304 R305 V352 N377 A378 S379 V383M304-N381 WeakPolarHBondContact CA-OD1 3.43Å; M304-N381 VanDerWaalsContact CB-OD1 3.27Å; M304-N381 WeakPolarHBondContact CB-OD1 3.13Å; R305-N381 PolarHBondContact N-OD1 3.08Å; R305-N381 PolarHBondContact O-ND2 3.01Å; V352-N381 HydrophobicContact CG1-CB 3.89Å; N377-N381 PolarHBondContact O-N 3.21Å; N377-N381 VanDerWaalsContact O-N 3.14Å; N377-N381 PolarHBondContact O-ND2 3.07Å; A378-N381 CarbonylContact O-C 3.52Å; A378-N381 PolarHBondContact O-N 2.94Å; S379-N381 PolarHBondContact O-N 3.37Å; N381-V383 HydrophobicContact CB-CG2 4.26Å; N381-V383 PolarHBondContact O-N 3.41Å; N381-V383 VanDerWaalsContact O-N 3.16Å
382E97.3Very high96.6Very high168 Ų16860.6 Ų60.679%0.78531%0.311SS*.THydrogen-bonded Turntrans58.825.3176.9-54.8-177.9179.700114.6A378 S379 K384A378-E382 PolarHBondContact O-N 2.81Å; S379-E382 PolarHBondContact O-N 3.41Å; E382-K384 PolarHBondContact O-N 3.31Å
383V97.3Very high96.5Very high20 Ų2056.5 Ų56.512%0.12129%0.293CS..  trans-90.3102177.5-173.70000109.6V352 A355 A378 N381 C386V352-V383 HydrophobicContact CG1-CG2 3.98Å; A355-V383 HydrophobicContact CB-CG1 3.33Å; A355-V383 HydrophobicContact CB-CG2 4.4Å; A378-V383 PolarHBondContact O-N 3Å; N381-V383 HydrophobicContact CB-CG2 4.26Å; N381-V383 PolarHBondContact O-N 3.41Å; N381-V383 VanDerWaalsContact O-N 3.16Å; V383-C386 WeakPolarHBondContact CG1-SG 3.47Å
384K94.9Very high96.4Very high196 Ų19659 Ų5985%0.85230%0.304SS*.  trans-92.4-14.5-170.8-62.2-180-176.61760114.7E382E382-K384 PolarHBondContact O-N 3.31Å
385H95.7Very high96.3Very high60 Ų6064 Ų6428%0.27833%0.332SS..SBendtrans-102.826.2-175.158.1-71.6000113.3A355 Y358 K359 V361A355-H385 PolarHBondContact O-NE2 3.03Å; Y358-H385 PolarHBondContact O-CD2 3.41Å; Y358-H385 PolarHBondContact O-NE2 3.16Å; K359-H385 PolarHBondContact O-CD2 3.19Å; K359-H385 VanDerWaalsContact O-CD2 3.3Å; V361-H385 PolarHBondContact N-O 2.96Å
386C96.8Very high96.2Very high23 Ų2360 Ų6016%0.15532%0.315CS..EExtended strand (participates in β ladder)trans-99.1134169.6-66.50000111.2V361 A378 V383 Y388V361-C386 HydrophobicContact CB-CB 4.48Å; V361-C386 CarbonylContact O-C 3.57Å; V361-C386 VanDerWaalsContact O-CA 3.3Å; V361-C386 WeakPolarHBondContact O-CA 3.43Å; A378-C386 HydrophobicContact CB-CB 4.08Å; V383-C386 WeakPolarHBondContact CG1-SG 3.47Å; C386-Y388 HydrophobicContact CB-CE2 3.73Å
387E96.6Very high96Very high89 Ų8956.2 Ų56.242%0.41630%0.298SS..EExtended strand (participates in β ladder)trans-122.6141.2169.7-170.4175.1-169.300109.9V361 I362 G363 F389V361-E387 PolarHBondContact O-N 2.9Å; I362-E387 CarbonylContact C-O 3.52Å; I362-E387 WeakPolarHBondContact CA-O 3.37Å; I362-E387 HydrophobicContact CD1-CB 3.88Å; G363-E387 PolarHBondContact N-O 3.3Å; E387-F389 HydrophobicContact CB-CE2 4.21Å; E387-F389 HydrophobicContact CG-CD2 4.42Å; E387-F389 HydrophobicContact CG-CE2 3.57Å; E387-F389 HydrophobicContact CG-CZ 3.74Å; E387-F389 WeakPolarHBondContact OE1-CZ 3.26Å
388Y97.6Very high95.7Very high17 Ų1759.8 Ų59.87%0.06732%0.317CS..EExtended strand (participates in β ladder)trans-128.2131-173.9-60.6-81.1000112.2V352 G363 A374 K375 A378 C386V352-Y388 WeakPolarHBondContact CG2-OH 3.18Å; G363-Y388 WeakPolarHBondContact O-CA 3.49Å; A374-Y388 HydrophobicContact CB-CD1 3.7Å; A374-Y388 HydrophobicContact CB-CD2 4.31Å; A374-Y388 HydrophobicContact CB-CE1 3.56Å; A374-Y388 HydrophobicContact CB-CE2 4.15Å; A374-Y388 HydrophobicContact CB-CG 4.09Å; A374-Y388 WeakPolarHBondContact O-CE2 3.4Å; A374-Y388 PolarHBondContact O-OH 3.48Å; K375-Y388 HydrophobicContact CG-CD2 3.68Å; K375-Y388 HydrophobicContact CG-CE2 4.42Å; K375-Y388 HydrophobicContact CG-CG 4.37Å; A378-Y388 HydrophobicContact CB-CE2 3.89Å; C386-Y388 HydrophobicContact CB-CE2 3.73Å
389F97.5Very high95.4Very high48 Ų4862.4 Ų62.421%0.21134%0.335CS..EExtended strand (participates in β ladder)trans-117.3129.7-178.6-62.3-91.8000111I362 G363 I364 E365 E387 L396 V400 L403I362-F389 HydrophobicContact CD1-CE2 4.44Å; I362-F389 HydrophobicContact CG2-CD2 3.81Å; I362-F389 HydrophobicContact CG2-CE2 3.81Å; G363-F389 PolarHBondContact O-N 2.89Å; I364-F389 HydrophobicContact CG1-CB 4.48Å; E365-F389 PolarHBondContact N-O 2.98Å; E365-F389 VanDerWaalsContact N-O 3.13Å; E387-F389 HydrophobicContact CB-CE2 4.21Å; E387-F389 HydrophobicContact CG-CD2 4.42Å; E387-F389 HydrophobicContact CG-CE2 3.57Å; E387-F389 HydrophobicContact CG-CZ 3.74Å; E387-F389 WeakPolarHBondContact OE1-CZ 3.26Å; F389-L396 HydrophobicContact CB-CD1 3.89Å; F389-V400 HydrophobicContact CD1-CG1 4.41Å; F389-V400 HydrophobicContact CD2-CG1 3.68Å; F389-V400 HydrophobicContact CE2-CG1 3.85Å; F389-V400 HydrophobicContact CG-CG1 3.98Å; F389-V400 HydrophobicContact CZ-CG1 4.28Å; F389-L403 HydrophobicContact CE2-CD1 4.15Å; F389-L403 HydrophobicContact CZ-CD1 3.74Å
390C96.4Very high95.2Very high69 Ų6958.5 Ų58.547%0.46631%0.307SS..EExtended strand (participates in β ladder)trans-91.4115.9177.8-172.30000110.4E365 V371E365-C390 CarbonylContact O-C 3.54Å; E365-C390 WeakPolarHBondContact O-CA 3.22Å; V371-C390 HydrophobicContact CG2-CB 4.03Å
391G94.5Very high94.8Very high18 Ų1856.6 Ų56.619%0.18629%0.29CS..SBendtrans160.5-174.6178.500000113.2E365 F366E365-G391 CarbonylContact C-O 3.5Å; E365-G391 PolarHBondContact O-N 3.29Å; F366-G391 WeakPolarHBondContact CA-O 3.39Å; F366-G391 PolarHBondContact N-O 3.42Å
392K92.8Very high94.4Very high99 Ų9960.2 Ų60.243%0.4331%0.306SS..  trans-77.3142177.9-63.7-178.5179.9175.50110.5F366 E394 D395 L396F366-K392 HydrophobicContact CD2-CG 3.69Å; F366-K392 HydrophobicContact CE2-CG 3.88Å; K392-E394 VanDerWaalsContact C-N 3.33Å; K392-E394 HydrophobicContact CB-CG 4.31Å; K392-E394 PolarHBondContact O-N 2.85Å; K392-D395 HydrophobicContact CB-CB 4.45Å; K392-D395 PolarHBondContact O-N 3.16Å; K392-L396 PolarHBondContact O-N 2.72Å
393A93.7Very high94Very high8 Ų854.7 Ų54.77%0.06628%0.282CS..Hα-helixtrans-60.3-42.7-17900000112I364 D395 L396 I397 V426I364-A393 HydrophobicContact CG2-CB 4.43Å; A393-D395 PolarHBondContact O-N 2.91Å; A393-L396 PolarHBondContact O-N 2.92Å; A393-I397 HydrophobicContact CB-CD1 4.24Å; A393-I397 VanDerWaalsContact O-CD1 3.32Å; A393-I397 WeakPolarHBondContact O-CD1 3.39Å; A393-I397 WeakPolarHBondContact O-CG1 3.32Å; A393-I397 PolarHBondContact O-N 3.2Å; A393-V426 HydrophobicContact CB-CG1 4.2Å; A393-V426 HydrophobicContact CB-CG2 4.3Å
394E93.4Very high93.5Very high52 Ų5260.8 Ų60.824%0.24331%0.309CS..Hα-helixtrans-61.7-27.5179.662.1-93.2-140.100114.2K392 H425 V426 A429K392-E394 VanDerWaalsContact C-N 3.33Å; K392-E394 HydrophobicContact CB-CG 4.31Å; K392-E394 PolarHBondContact O-N 2.85Å; E394-H425 HydrophobicContact CB-CB 3.83Å; E394-H425 HydrophobicContact CG-CB 3.9Å; E394-V426 HydrophobicContact CB-CG2 4.08Å; E394-V426 WeakPolarHBondContact OE2-CG2 3.4Å; E394-A429 HydrophobicContact CB-CB 4.48Å
395D94.1Very high93Very high107 Ų10754.2 Ų54.257%0.57229%0.286SS*.Hα-helixtrans-88-26.4-178.9-61.6-29.3000111.5K392 A393K392-D395 HydrophobicContact CB-CB 4.45Å; K392-D395 PolarHBondContact O-N 3.16Å; A393-D395 PolarHBondContact O-N 2.91Å
396L95.6Very high92.6Very high31 Ų3151.4 Ų51.416%0.16227%0.272CS..Hα-helixtrans-101.9-28.5-170.6-69.2175.9000114.3I364 F389 K392 A393 D398 S399 V400I364-L396 HydrophobicContact CD1-CB 3.78Å; I364-L396 HydrophobicContact CG1-CB 4.25Å; I364-L396 HydrophobicContact CG1-CD1 4.49Å; I364-L396 HydrophobicContact CG2-CB 4.27Å; I364-L396 HydrophobicContact CG2-CD1 3.75Å; F389-L396 HydrophobicContact CB-CD1 3.89Å; K392-L396 PolarHBondContact O-N 2.72Å; A393-L396 PolarHBondContact O-N 2.92Å; L396-D398 VanDerWaalsContact C-N 3.3Å; L396-D398 PolarHBondContact O-N 3.33Å; L396-S399 WeakPolarHBondContact CA-OG 3.45Å; L396-S399 PolarHBondContact O-N 2.97Å; L396-S399 PolarHBondContact O-OG 3.3Å; L396-V400 WeakPolarHBondContact O-CG1 3.28Å; L396-V400 WeakPolarHBondContact O-CG2 3.32Å; L396-V400 PolarHBondContact O-N 2.91Å
397I95Very high92Very high1 Ų154.1 Ų54.11%0.00528%0.281CS..Hα-helixtrans-51.5-47.5-176-77.5160.5000112L343 I364 A393 V400 T401 V426 A429 L430 C433L343-I397 HydrophobicContact CD1-CD1 4.4Å; L343-I397 HydrophobicContact CD2-CG1 4.13Å; I364-I397 HydrophobicContact CD1-CG1 4.3Å; A393-I397 HydrophobicContact CB-CD1 4.24Å; A393-I397 VanDerWaalsContact O-CD1 3.32Å; A393-I397 WeakPolarHBondContact O-CD1 3.39Å; A393-I397 WeakPolarHBondContact O-CG1 3.32Å; A393-I397 PolarHBondContact O-N 3.2Å; I397-V400 WeakPolarHBondContact O-CG2 3.33Å; I397-T401 WeakPolarHBondContact O-CG2 3.35Å; I397-T401 PolarHBondContact O-N 3.09Å; I397-T401 PolarHBondContact O-OG1 2.6Å; I397-V426 HydrophobicContact CD1-CG1 4.47Å; I397-A429 HydrophobicContact CB-CB 4.37Å; I397-A429 HydrophobicContact CD1-CB 4Å; I397-L430 HydrophobicContact CD1-CD2 3.83Å; I397-L430 HydrophobicContact CD1-CG 4.16Å; I397-C433 HydrophobicContact CG2-CB 3.76Å
398D89.8Confident91.6Very high76 Ų7659.6 Ų59.641%0.40630%0.299SS..Hα-helixtrans-65.5-44.9179.8-71-11000110.6L396 V400 T401 E402L396-D398 VanDerWaalsContact C-N 3.3Å; L396-D398 PolarHBondContact O-N 3.33Å; D398-V400 PolarHBondContact O-N 3.3Å; D398-T401 PolarHBondContact O-N 2.77Å; D398-T401 PolarHBondContact O-OG1 2.92Å; D398-E402 WeakPolarHBondContact O-CG 3.43Å; D398-E402 PolarHBondContact O-N 2.91Å
399S92.4Very high91.3Very high60 Ų6060 Ų6042%0.4230%0.304SS..Hα-helixtrans-64.4-40.4-178.971.70000113.5L396 T401 E402L396-S399 WeakPolarHBondContact CA-OG 3.45Å; L396-S399 PolarHBondContact O-N 2.97Å; L396-S399 PolarHBondContact O-OG 3.3Å; S399-T401 VanDerWaalsContact C-N 3.32Å; S399-E402 PolarHBondContact O-N 3.44Å
400V92.6Very high91.2Very high0 Ų060.5 Ų60.50%031%0.311CS..Hα-helixtrans-75.4-26.2-177.8-600000111.9I362 I364 F389 L396 I397 D398 E402 L403 V406I362-V400 HydrophobicContact CG2-CB 3.98Å; I362-V400 HydrophobicContact CG2-CG1 4.06Å; I362-V400 HydrophobicContact CG2-CG2 4.23Å; I364-V400 HydrophobicContact CD1-CG1 4.19Å; I364-V400 HydrophobicContact CD1-CG2 3.88Å; I364-V400 HydrophobicContact CG1-CG1 4.44Å; F389-V400 HydrophobicContact CD1-CG1 4.41Å; F389-V400 HydrophobicContact CD2-CG1 3.68Å; F389-V400 HydrophobicContact CE2-CG1 3.85Å; F389-V400 HydrophobicContact CG-CG1 3.98Å; F389-V400 HydrophobicContact CZ-CG1 4.28Å; L396-V400 WeakPolarHBondContact O-CG1 3.28Å; L396-V400 WeakPolarHBondContact O-CG2 3.32Å; L396-V400 PolarHBondContact O-N 2.91Å; I397-V400 WeakPolarHBondContact O-CG2 3.33Å; D398-V400 PolarHBondContact O-N 3.3Å; V400-E402 VanDerWaalsContact C-N 3.34Å; V400-L403 HydrophobicContact CB-CD1 4.31Å; V400-L403 WeakPolarHBondContact O-CB 3.4Å; V400-L403 WeakPolarHBondContact O-CD1 3.36Å; V400-L403 WeakPolarHBondContact O-CG 3.18Å; V400-V406 WeakPolarHBondContact O-CG2 3.37Å
401T88.2Confident91.2Very high13 Ų1357.2 Ų57.28%0.0829%0.289CS..Hα-helixtrans-83.1-12.9177.354.20000113.5L341 I397 D398 S399 V406 K407 C433 A435L341-T401 HydrophobicContact CD1-CG2 3.83Å; I397-T401 WeakPolarHBondContact O-CG2 3.35Å; I397-T401 PolarHBondContact O-N 3.09Å; I397-T401 PolarHBondContact O-OG1 2.6Å; D398-T401 PolarHBondContact O-N 2.77Å; D398-T401 PolarHBondContact O-OG1 2.92Å; S399-T401 VanDerWaalsContact C-N 3.32Å; T401-V406 HydrophobicContact CG2-CG1 4.09Å; T401-K407 VanDerWaalsContact O-CA 3.25Å; T401-K407 WeakPolarHBondContact O-CA 3.32Å; T401-K407 PolarHBondContact O-N 3.5Å; T401-C433 VanDerWaalsContact CG2-SG 3.54Å; T401-A435 HydrophobicContact CG2-CB 4.38Å
402E90.2Very high91.3Very high109 Ų10956.3 Ų56.351%0.50928%0.28SS..THydrogen-bonded Turntrans-86-7.4170.2-71.5-68.7165.300113.6D398 S399 V400 K407D398-E402 WeakPolarHBondContact O-CG 3.43Å; D398-E402 PolarHBondContact O-N 2.91Å; S399-E402 PolarHBondContact O-N 3.44Å; V400-E402 VanDerWaalsContact C-N 3.34Å; E402-K407 WeakPolarHBondContact OE2-CD 3.39Å; E402-K407 VanDerWaalsContact OE2-CE 3.23Å; E402-K407 WeakPolarHBondContact OE2-CE 3.16Å; E402-K407 IonicContact OE2-NZ 3.67Å; E402-K407 PolarHBondContact OE2-NZ 3.44Å
403L89.1Confident91.6Very high52 Ų5251.6 Ų51.627%0.27226%0.259SS..SBendtrans-59.6141.2173.2-64.7174.1000110.2F389 V400 T405 V406 K407F389-L403 HydrophobicContact CE2-CD1 4.15Å; F389-L403 HydrophobicContact CZ-CD1 3.74Å; V400-L403 HydrophobicContact CB-CD1 4.31Å; V400-L403 WeakPolarHBondContact O-CB 3.4Å; V400-L403 WeakPolarHBondContact O-CD1 3.36Å; V400-L403 WeakPolarHBondContact O-CG 3.18Å; L403-T405 PolarHBondContact O-N 3.26Å; L403-T405 VanDerWaalsContact O-N 3.1Å; L403-V406 HydrophobicContact CB-CG2 4.29Å; L403-V406 PolarHBondContact O-N 2.89Å; L403-K407 WeakPolarHBondContact O-CB 3.4Å; L403-K407 PolarHBondContact O-N 3.29Å
404Q86.3Confident91.8Very high149 Ų14951.2 Ų51.270%0.69626%0.256SS*.THydrogen-bonded Turntrans-58.7-28.8-177.8-67.1-60.7-44.500113.1V406Q404-V406 PolarHBondContact O-N 3.37Å
405T84.2Confident91.9Very high58 Ų5848.8 Ų48.836%0.35625%0.245SC..THydrogen-bonded Turntrans-68.2-17.7174.746.90000113.5L403L403-T405 PolarHBondContact O-N 3.26Å; L403-T405 VanDerWaalsContact O-N 3.1Å
406V88.3Confident91.9Very high0 Ų044.7 Ų44.70%022%0.223CC..THydrogen-bonded Turntrans-121.5-36.5-171.1-170.90000113.1I339 I362 V400 T401 L403 Q404 W408 S409 C411I339-V406 HydrophobicContact CG2-CG1 4.31Å; I339-V406 HydrophobicContact CG2-CG2 4.21Å; I362-V406 HydrophobicContact CG1-CG2 4.19Å; V400-V406 WeakPolarHBondContact O-CG2 3.37Å; T401-V406 HydrophobicContact CG2-CG1 4.09Å; L403-V406 HydrophobicContact CB-CG2 4.29Å; L403-V406 PolarHBondContact O-N 2.89Å; Q404-V406 PolarHBondContact O-N 3.37Å; V406-W408 PolarHBondContact O-N 3.45Å; V406-S409 WeakPolarHBondContact O-CB 3.41Å; V406-S409 PolarHBondContact O-N 3.25Å; V406-C411 WeakPolarHBondContact CG1-SG 3.4Å
407K84.5Confident91.5Very high80 Ų8044 Ų4435%0.34822%0.22SC..THydrogen-bonded Turntrans-52.5-23.9-167-175.3168.5179.6148.30116.4T401 E402 L403T401-K407 VanDerWaalsContact O-CA 3.25Å; T401-K407 WeakPolarHBondContact O-CA 3.32Å; T401-K407 PolarHBondContact O-N 3.5Å; E402-K407 WeakPolarHBondContact OE2-CD 3.39Å; E402-K407 VanDerWaalsContact OE2-CE 3.23Å; E402-K407 WeakPolarHBondContact OE2-CE 3.16Å; E402-K407 IonicContact OE2-NZ 3.67Å; E402-K407 PolarHBondContact OE2-NZ 3.44Å; L403-K407 WeakPolarHBondContact O-CB 3.4Å; L403-K407 PolarHBondContact O-N 3.29Å
408W86.9Confident90.8Very high205 Ų20547.7 Ų47.778%0.77724%0.244SC*.THydrogen-bonded Turntrans-117.712.2-179.3-52.6111000113.7V406V406-W408 PolarHBondContact O-N 3.45Å
409S91.8Very high89.9Confident26 Ų2652.1 Ų52.118%0.18226%0.255CS..SBendtrans-109.4151.5-175.7-59.10000111.2I339 V406I339-S409 VanDerWaalsContact CG1-CB 3.44Å; V406-S409 WeakPolarHBondContact O-CB 3.41Å; V406-S409 PolarHBondContact O-N 3.25Å
410T94.7Very high88.7Confident57 Ų5754.1 Ų54.135%0.3528%0.275SS..  trans-80.1125168.8-60.70000109.7A337 E338 I339 R437 F438A337-T410 CarbonylContact C-O 3.57Å; A337-T410 WeakPolarHBondContact CA-O 3.39Å; A337-T410 HydrophobicContact CB-CG2 4.4Å; E338-T410 PolarHBondContact N-O 3.06Å; I339-T410 PolarHBondContact N-O 3.23Å; T410-R437 HydrophobicContact CG2-CB 3.67Å; T410-R437 HydrophobicContact CG2-CG 4.17Å; T410-F438 HydrophobicContact CG2-CD2 4.42Å; T410-F438 HydrophobicContact CG2-CE2 4.14Å
411C96.8Very high87.7Confident0 Ų055.1 Ų55.10%029%0.286CS..EExtended strand (participates in β ladder)trans-104.4147.6-179.5-57.60000112.3I339 L341 V406 A435 R437 F438I339-C411 WeakPolarHBondContact O-CA 3.07Å; L341-C411 HydrophobicContact CD1-CB 4.18Å; L341-C411 HydrophobicContact CG-CB 4.2Å; V406-C411 WeakPolarHBondContact CG1-SG 3.4Å; C411-A435 WeakPolarHBondContact CB-O 3.43Å; C411-A435 PolarHBondContact N-O 3.29Å; C411-R437 PolarHBondContact O-N 3.27Å; C411-R437 VanDerWaalsContact O-N 3.08Å; C411-F438 PolarHBondContact O-N 3.19Å
412I98.1Very high87.4Confident0 Ų055.4 Ų55.40%029%0.287CS..EExtended strand (participates in β ladder)trans-115.2133160.5-177.8163.7000109.1C332 T335 A337 I339 L340 L341 Y358 F438 V440C332-I412 HydrophobicContact CB-CD1 4.44Å; T335-I412 HydrophobicContact CG2-CD1 3.84Å; A337-I412 HydrophobicContact CB-CB 3.73Å; A337-I412 HydrophobicContact CB-CG2 3.6Å; I339-I412 PolarHBondContact O-N 3.28Å; L340-I412 WeakPolarHBondContact CA-O 3.28Å; L340-I412 HydrophobicContact CD1-CG2 4.13Å; L341-I412 PolarHBondContact N-O 2.85Å; Y358-I412 HydrophobicContact CE1-CG2 3.59Å; Y358-I412 WeakPolarHBondContact OH-CG2 3.36Å; I412-F438 WeakPolarHBondContact CA-O 3.38Å; I412-F438 HydrophobicContact CB-CB 3.99Å; I412-F438 HydrophobicContact CD1-CB 3.85Å; I412-F438 HydrophobicContact CG1-CB 3.7Å; I412-V440 HydrophobicContact CD1-CG2 4.09Å
413G97.5Very high87.2Confident0 Ų052.3 Ų52.30%028%0.284CS..EExtended strand (participates in β ladder)trans-95.4139.217200000110.5L341 F438 L439 V440L341-G413 CarbonylContact O-C 3.6Å; L341-G413 VanDerWaalsContact O-CA 3.27Å; L341-G413 WeakPolarHBondContact O-CA 3.39Å; G413-F438 PolarHBondContact N-O 3.16Å; G413-L439 CarbonylContact O-C 3.6Å; G413-L439 WeakPolarHBondContact O-CA 3.3Å; G413-V440 PolarHBondContact O-N 2.81Å
414V98.2Very high87.3Confident0 Ų053.3 Ų53.30%029%0.287CS..EExtended strand (participates in β ladder)trans-111124.5159.8-178.70000106.9I328 L340 L341 L343 I350 L354 V440 V442I328-V414 HydrophobicContact CD1-CG1 4.48Å; I328-V414 HydrophobicContact CG2-CG1 4.29Å; I328-V414 HydrophobicContact CG2-CG2 3.92Å; L340-V414 HydrophobicContact CD1-CB 4.44Å; L340-V414 HydrophobicContact CD1-CG2 3.68Å; L341-V414 PolarHBondContact O-N 3.34Å; L343-V414 PolarHBondContact N-O 2.97Å; I350-V414 HydrophobicContact CD1-CG1 4.18Å; I350-V414 HydrophobicContact CG2-CB 4.35Å; I350-V414 HydrophobicContact CG2-CG1 4.02Å; I350-V414 HydrophobicContact CG2-CG2 4.48Å; L354-V414 HydrophobicContact CD1-CG2 4.33Å; V414-V440 CarbonylContact C-O 3.41Å; V414-V440 WeakPolarHBondContact CA-O 3.38Å; V414-V440 HydrophobicContact CG2-CB 4.17Å; V414-V442 HydrophobicContact CG1-CG2 4.27Å
415L96.2Very high87.6Confident0 Ų052.5 Ų52.50%028%0.283CS..EExtended strand (participates in β ladder)trans-117.2111.1179.7175.163.4000108.9L343 C344 P417 I422 L430 L439 V440 Y441 V442L343-L415 HydrophobicContact CB-CB 4.39Å; L343-L415 HydrophobicContact CB-CD1 3.8Å; C344-L415 HydrophobicContact CB-CD1 4.45Å; L415-P417 HydrophobicContact CD1-CB 4.4Å; L415-P417 HydrophobicContact CG-CB 4.48Å; L415-P417 HydrophobicContact CG-CG 4.49Å; L415-P417 WeakPolarHBondContact O-CD 3.16Å; L415-I422 HydrophobicContact CD1-CG2 4.35Å; L415-I422 HydrophobicContact CD2-CD1 3.45Å; L415-I422 VanDerWaalsContact CD2-CD1 3.45Å; L415-I422 HydrophobicContact CD2-CG1 4.26Å; L415-L430 HydrophobicContact CD2-CD1 4.19Å; L415-L439 HydrophobicContact CB-CD1 4.04Å; L415-V440 PolarHBondContact N-O 3.28Å; L415-Y441 HydrophobicContact CD2-CD2 3.68Å; L415-Y441 HydrophobicContact CD2-CE2 3.46Å; L415-Y441 VanDerWaalsContact CD2-CE2 3.46Å; L415-Y441 HydrophobicContact CD2-CG 4.47Å; L415-Y441 HydrophobicContact CG-CD2 4.45Å; L415-Y441 HydrophobicContact CG-CE2 4.39Å; L415-V442 PolarHBondContact O-N 3.05Å
416D93.4Very high88.1Confident21 Ų2150 Ų5011%0.11227%0.268CS..  trans-111.680.9172-171.516.8000109.5Q315 L343 C344 I350 V442Q315-D416 PolarHBondContact NE2-OD2 2.91Å; L343-D416 PolarHBondContact O-N 3.03Å; C344-D416 WeakPolarHBondContact CB-O 3.46Å; I350-D416 HydrophobicContact CD1-CB 4.06Å; D416-V442 HydrophobicContact CB-CB 4.09Å; D416-V442 HydrophobicContact CB-CG2 4.18Å
417P87.9Confident88.4Confident17 Ų1750 Ų5011%0.1127%0.268CS..  trans-76159.5-171.434.9-34.1000111.6L415 I422 Y441 V442L415-P417 HydrophobicContact CD1-CB 4.4Å; L415-P417 HydrophobicContact CG-CB 4.48Å; L415-P417 HydrophobicContact CG-CG 4.49Å; L415-P417 WeakPolarHBondContact O-CD 3.16Å; P417-I422 HydrophobicContact CB-CG2 3.58Å; P417-Y441 HydrophobicContact CG-CE1 3.62Å; P417-V442 WeakPolarHBondContact CD-O 3.47Å
418P79.5Confident89Confident79 Ų7947.9 Ų47.951%0.51326%0.26SS..  trans-60.4158.9170.528.2-35.4000111A420 G421P418-A420 PolarHBondContact O-N 2.97Å; P418-G421 PolarHBondContact O-N 2.84Å
419R70.5Confident89.4Confident168 Ų16838.4 Ų38.463%0.63423%0.225SC*.THydrogen-bonded Turntrans-53.8-25.9179.8-68.1-177.7177.7-163.1-7.4114.7G421R419-G421 PolarHBondContact O-N 2.86Å
420A68.2Low89.6Confident102 Ų10237.2 Ų37.284%0.84322%0.217SC*.THydrogen-bonded Turntrans-70-8176.100000113.6P418P418-A420 PolarHBondContact O-N 2.97Å
421G71.2Confident89.7Confident21 Ų2134.6 Ų34.622%0.21620%0.2CC..  trans81.6-178.1-174.400000112.8P418 R419P418-G421 PolarHBondContact O-N 2.84Å; R419-G421 PolarHBondContact O-N 2.86Å
422I81.8Confident89.6Confident20 Ų2039.3 Ų39.310%0.10322%0.221CC..  trans-105.5145.5173.748.7156000111.9L415 P417 V426 I427 L430 Y441 N452L415-I422 HydrophobicContact CD1-CG2 4.35Å; L415-I422 HydrophobicContact CD2-CD1 3.45Å; L415-I422 VanDerWaalsContact CD2-CD1 3.45Å; L415-I422 HydrophobicContact CD2-CG1 4.26Å; P417-I422 HydrophobicContact CB-CG2 3.58Å; I422-V426 HydrophobicContact CB-CB 4.17Å; I422-V426 HydrophobicContact CB-CG1 4.41Å; I422-V426 HydrophobicContact CB-CG2 4.27Å; I422-V426 HydrophobicContact CD1-CB 3.85Å; I422-V426 HydrophobicContact CD1-CG1 3.62Å; I422-I427 HydrophobicContact CD1-CD1 3.36Å; I422-I427 HydrophobicContact CD1-CG1 4.08Å; I422-I427 HydrophobicContact CG1-CD1 4.15Å; I422-L430 HydrophobicContact CD1-CD1 4.45Å; I422-Y441 HydrophobicContact CD1-CE2 4.13Å; I422-Y441 HydrophobicContact CG1-CE2 4.35Å; I422-N452 PolarHBondContact O-ND2 3.36Å; I422-N452 VanDerWaalsContact O-ND2 3.14Å
423G87.1Confident89.4Confident44 Ų4439.5 Ų39.545%0.45422%0.222SC..  trans-64.9156.9175.500000112.4H425 V426G423-H425 PolarHBondContact O-N 2.91Å; G423-V426 PolarHBondContact O-N 2.94Å; G423-V426 VanDerWaalsContact O-N 3.09Å
424Q90.3Very high89.1Confident73 Ų7347.4 Ų47.434%0.34126%0.259SS..Hα-helixtrans-61.8-26.1-179-171.5159.7-0.600113.3V426 I427 I428 F464Q424-V426 VanDerWaalsContact C-N 3.32Å; Q424-V426 PolarHBondContact O-N 3.01Å; Q424-I427 WeakPolarHBondContact O-CB 3.4Å; Q424-I427 PolarHBondContact O-N 3.13Å; Q424-I428 HydrophobicContact CG-CD1 4.27Å; Q424-I428 WeakPolarHBondContact O-CG1 3.45Å; Q424-I428 PolarHBondContact O-N 3.06Å; Q424-F464 HydrophobicContact CG-CE1 4.47Å
425H93.3Very high88.8Confident131 Ų13148.4 Ų48.461%0.60627%0.267SS*.Hα-helixtrans-62.4-37.6175.1-65.4-75.2000112.5E394 G423 I428 A429E394-H425 HydrophobicContact CB-CB 3.83Å; E394-H425 HydrophobicContact CG-CB 3.9Å; G423-H425 PolarHBondContact O-N 2.91Å; H425-I428 PolarHBondContact O-N 3.3Å; H425-A429 WeakPolarHBondContact O-CB 3.28Å; H425-A429 PolarHBondContact O-N 3.09Å
426V94.5Very high88.8Confident5 Ų548.4 Ų48.43%0.0327%0.267CS..Hα-helixtrans-64.8-44.4175.7-177.30000110.2A393 E394 I397 I422 G423 Q424 I428 A429 L430A393-V426 HydrophobicContact CB-CG1 4.2Å; A393-V426 HydrophobicContact CB-CG2 4.3Å; E394-V426 HydrophobicContact CB-CG2 4.08Å; E394-V426 WeakPolarHBondContact OE2-CG2 3.4Å; I397-V426 HydrophobicContact CD1-CG1 4.47Å; I422-V426 HydrophobicContact CB-CB 4.17Å; I422-V426 HydrophobicContact CB-CG1 4.41Å; I422-V426 HydrophobicContact CB-CG2 4.27Å; I422-V426 HydrophobicContact CD1-CB 3.85Å; I422-V426 HydrophobicContact CD1-CG1 3.62Å; G423-V426 PolarHBondContact O-N 2.94Å; G423-V426 VanDerWaalsContact O-N 3.09Å; Q424-V426 VanDerWaalsContact C-N 3.32Å; Q424-V426 PolarHBondContact O-N 3.01Å; V426-I428 VanDerWaalsContact C-N 3.3Å; V426-I428 PolarHBondContact O-N 3.41Å; V426-A429 PolarHBondContact O-N 3.15Å; V426-L430 HydrophobicContact CG1-CD1 4.01Å; V426-L430 HydrophobicContact CG1-CG 4.28Å; V426-L430 VanDerWaalsContact O-CG 3.23Å; V426-L430 WeakPolarHBondContact O-CG 3.19Å; V426-L430 PolarHBondContact O-N 2.85Å
427I94.7Very high88.9Confident0 Ų051.5 Ų51.50%028%0.277CS..Hα-helixtrans-58.2-43.8176.7-55.8-64.1000111.3I422 Q424 L430 R431 N452 D455 L456I422-I427 HydrophobicContact CD1-CD1 3.36Å; I422-I427 HydrophobicContact CD1-CG1 4.08Å; I422-I427 HydrophobicContact CG1-CD1 4.15Å; Q424-I427 WeakPolarHBondContact O-CB 3.4Å; Q424-I427 PolarHBondContact O-N 3.13Å; I427-L430 PolarHBondContact O-N 3.15Å; I427-R431 VanDerWaalsContact O-CG 3.25Å; I427-R431 WeakPolarHBondContact O-CG 3.45Å; I427-R431 PolarHBondContact O-N 3.36Å; I427-R431 VanDerWaalsContact O-N 3.09Å; I427-N452 HydrophobicContact CD1-CB 3.72Å; I427-N452 HydrophobicContact CG1-CB 4.43Å; I427-D455 HydrophobicContact CG2-CB 4.05Å; I427-L456 HydrophobicContact CD1-CD1 4.35Å; I427-L456 HydrophobicContact CD1-CD2 4.21Å; I427-L456 HydrophobicContact CD1-CG 4Å; I427-L456 HydrophobicContact CG2-CD2 4.05Å; I427-L456 HydrophobicContact CG2-CG 4.14Å
428I95.6Very high89.4Confident37 Ų3752 Ų5219%0.1928%0.278CS..Hα-helixtrans-64.7-44.3177.9-68.7167.9000111Q424 H425 V426 R431 K432 P465Q424-I428 HydrophobicContact CG-CD1 4.27Å; Q424-I428 WeakPolarHBondContact O-CG1 3.45Å; Q424-I428 PolarHBondContact O-N 3.06Å; H425-I428 PolarHBondContact O-N 3.3Å; V426-I428 VanDerWaalsContact C-N 3.3Å; V426-I428 PolarHBondContact O-N 3.41Å; I428-R431 PolarHBondContact O-N 3.48Å; I428-K432 HydrophobicContact CG2-CD 4.04Å; I428-K432 HydrophobicContact CG2-CG 4.44Å; I428-K432 WeakPolarHBondContact O-CB 3.46Å; I428-K432 WeakPolarHBondContact O-CG 3.09Å; I428-K432 PolarHBondContact O-N 3.43Å; I428-P465 HydrophobicContact CG2-CG 3.92Å
429A96.1Very high90.3Very high6 Ų648.2 Ų48.25%0.0525%0.253CS..Hα-helixtrans-60.1-47.3176.900000111.5E394 I397 H425 V426 R431 K432 C433E394-A429 HydrophobicContact CB-CB 4.48Å; I397-A429 HydrophobicContact CB-CB 4.37Å; I397-A429 HydrophobicContact CD1-CB 4Å; H425-A429 WeakPolarHBondContact O-CB 3.28Å; H425-A429 PolarHBondContact O-N 3.09Å; V426-A429 PolarHBondContact O-N 3.15Å; A429-R431 VanDerWaalsContact C-N 3.31Å; A429-R431 PolarHBondContact O-N 2.8Å; A429-K432 PolarHBondContact O-N 2.86Å; A429-C433 WeakPolarHBondContact O-CB 3.45Å; A429-C433 PolarHBondContact O-N 2.77Å
430L96.6Very high91.6Very high0 Ų040.2 Ų40.20%022%0.223CC..Hα-helixtrans-56.9-42.7176.5-67.7169000112.1L343 I397 L415 I422 V426 I427 L436 L439 L456 F469 K494L343-L430 HydrophobicContact CD1-CD2 3.51Å; I397-L430 HydrophobicContact CD1-CD2 3.83Å; I397-L430 HydrophobicContact CD1-CG 4.16Å; L415-L430 HydrophobicContact CD2-CD1 4.19Å; I422-L430 HydrophobicContact CD1-CD1 4.45Å; V426-L430 HydrophobicContact CG1-CD1 4.01Å; V426-L430 HydrophobicContact CG1-CG 4.28Å; V426-L430 VanDerWaalsContact O-CG 3.23Å; V426-L430 WeakPolarHBondContact O-CG 3.19Å; V426-L430 PolarHBondContact O-N 2.85Å; I427-L430 PolarHBondContact O-N 3.15Å; L430-L436 HydrophobicContact CB-CD2 4.12Å; L430-L436 HydrophobicContact CD2-CD2 3.4Å; L430-L436 HydrophobicContact CG-CD2 4.37Å; L430-L439 HydrophobicContact CD1-CD2 4.03Å; L430-L439 HydrophobicContact CD2-CD1 4.41Å; L430-L456 HydrophobicContact CB-CD2 4.35Å; L430-L456 HydrophobicContact CD1-CD2 4.26Å; L430-F469 HydrophobicContact CB-CE2 4.48Å; L430-K494 WeakPolarHBondContact O-CE 3.18Å; L430-K494 PolarHBondContact O-NZ 3.04Å
431R96.2Very high93Very high2 Ų235.3 Ų35.31%0.00818%0.183CC..Hα-helixtrans-68.8-40.8178.7-69.8169.761.29113.7112.9I427 I428 A429 D455 L456 R458 F464 P465 G466 S467 F469 K494I427-R431 VanDerWaalsContact O-CG 3.25Å; I427-R431 WeakPolarHBondContact O-CG 3.45Å; I427-R431 PolarHBondContact O-N 3.36Å; I427-R431 VanDerWaalsContact O-N 3.09Å; I428-R431 PolarHBondContact O-N 3.48Å; A429-R431 VanDerWaalsContact C-N 3.31Å; A429-R431 PolarHBondContact O-N 2.8Å; R431-D455 PolarHBondContact NH1-O 2.94Å; R431-L456 PolarHBondContact NH1-O 3.06Å; R431-R458 PolarHBondContact NH1-O 3.21Å; R431-R458 PolarHBondContact NH2-O 2.91Å; R431-F464 PolarHBondContact NH2-O 3.24Å; R431-P465 WeakPolarHBondContact CB-O 3.46Å; R431-P465 PolarHBondContact NE-O 2.85Å; R431-P465 VanDerWaalsContact NE-O 3.13Å; R431-G466 PolarHBondContact NH2-O 3.39Å; R431-G466 WeakPolarHBondContact O-CA 3.33Å; R431-S467 PolarHBondContact O-N 2.68Å; R431-F469 HydrophobicContact CG-CD2 4.38Å; R431-F469 HydrophobicContact CG-CE2 4.3Å; R431-K494 PolarHBondContact O-NZ 3.45Å
432K95.1Very high94.2Very high99 Ų9934.3 Ų34.343%0.4317%0.173SC..Hα-helixtrans-69.7-31.7178.8-79.7-179.4151.1-167.80113.4I428 A429 H434 P465I428-K432 HydrophobicContact CG2-CD 4.04Å; I428-K432 HydrophobicContact CG2-CG 4.44Å; I428-K432 WeakPolarHBondContact O-CB 3.46Å; I428-K432 WeakPolarHBondContact O-CG 3.09Å; I428-K432 PolarHBondContact O-N 3.43Å; A429-K432 PolarHBondContact O-N 2.86Å; K432-H434 PolarHBondContact O-CD2 3.27Å; K432-H434 PolarHBondContact O-N 2.69Å; K432-P465 HydrophobicContact CD-CG 4.21Å; K432-P465 HydrophobicContact CG-CB 4.38Å; K432-P465 HydrophobicContact CG-CG 4.16Å
433C94.2Very high94.7Very high4 Ų433.7 Ų33.73%0.02717%0.17CC..  trans-65.6104.9-177.6-179.90000111.8I397 T401 A429 L436 K494I397-C433 HydrophobicContact CG2-CB 3.76Å; T401-C433 VanDerWaalsContact CG2-SG 3.54Å; A429-C433 WeakPolarHBondContact O-CB 3.45Å; A429-C433 PolarHBondContact O-N 2.77Å; C433-L436 HydrophobicContact CB-CB 4.03Å; C433-L436 PolarHBondContact O-N 3.05Å; C433-K494 PolarHBondContact O-NZ 3.44Å
434H90.6Very high94.7Very high167 Ų16732.9 Ų32.977%0.77316%0.157SC*.SBendtrans-67.4-35.6-176.8-75.6-80.1000113.5K432 L436K432-H434 PolarHBondContact O-CD2 3.27Å; K432-H434 PolarHBondContact O-N 2.69Å; H434-L436 PolarHBondContact O-N 2.78Å
435A93Very high94.3Very high21 Ų2132.7 Ų32.717%0.17416%0.158CC..SBendtrans-65.1-29178.100000112.5T401 C411 R437T401-A435 HydrophobicContact CG2-CB 4.38Å; C411-A435 WeakPolarHBondContact CB-O 3.43Å; C411-A435 PolarHBondContact N-O 3.29Å; A435-R437 PolarHBondContact O-N 3.43Å; A435-R437 VanDerWaalsContact O-N 3.1Å
436L95.1Very high93.7Very high0 Ų027.9 Ų27.90%014%0.135CC..EExtended strand (participates in β ladder)trans-77.394.8177.8-176.367.7000111L341 L430 C433 H434 F438 F469 K494L341-L436 HydrophobicContact CD1-CD1 4.29Å; L430-L436 HydrophobicContact CB-CD2 4.12Å; L430-L436 HydrophobicContact CD2-CD2 3.4Å; L430-L436 HydrophobicContact CG-CD2 4.37Å; C433-L436 HydrophobicContact CB-CB 4.03Å; C433-L436 PolarHBondContact O-N 3.05Å; H434-L436 PolarHBondContact O-N 2.78Å; L436-F438 WeakPolarHBondContact CD1-O 3.37Å; L436-F469 HydrophobicContact CD2-CZ 4.18Å; L436-F469 HydrophobicContact CG-CZ 4.43Å; L436-K494 VanDerWaalsContact O-CD 3.24Å; L436-K494 WeakPolarHBondContact O-CD 3.44Å; L436-K494 WeakPolarHBondContact O-CE 3.48Å; L436-K494 PolarHBondContact O-NZ 3.07Å
437R96.3Very high92.9Very high85 Ų8535.8 Ų35.832%0.32116%0.164SC..EExtended strand (participates in β ladder)trans-86.1-38.6179.9-177.977.9-167.588.6-9.2112.5T410 C411 A435 E493 K494T410-R437 HydrophobicContact CG2-CB 3.67Å; T410-R437 HydrophobicContact CG2-CG 4.17Å; C411-R437 PolarHBondContact O-N 3.27Å; C411-R437 VanDerWaalsContact O-N 3.08Å; A435-R437 PolarHBondContact O-N 3.43Å; A435-R437 VanDerWaalsContact O-N 3.1Å; R437-E493 VanDerWaalsContact CZ-CG 3.4Å; R437-E493 IonicContact CZ-OE1 3Å; R437-E493 IonicContact NH2-OE1 2.88Å; R437-E493 PolarHBondContact NH2-OE1 3.14Å; R437-K494 PolarHBondContact NH1-O 2.87Å; R437-K494 PolarHBondContact NH2-O 3.22Å; R437-K494 PolarHBondContact O-N 3.4Å
438F98.1Very high92.2Very high27 Ų2738 Ų3812%0.11819%0.187CC..EExtended strand (participates in β ladder)trans-123.9146.9-174.4-55.8-85.2000110.7T335 A337 T410 C411 I412 G413 L436 L491 F492 E493T335-F438 HydrophobicContact CG2-CB 4.18Å; T335-F438 HydrophobicContact CG2-CD1 3.61Å; T335-F438 HydrophobicContact CG2-CD2 4.06Å; T335-F438 HydrophobicContact CG2-CE1 3.96Å; T335-F438 HydrophobicContact CG2-CE2 4.37Å; T335-F438 HydrophobicContact CG2-CG 3.69Å; T335-F438 HydrophobicContact CG2-CZ 4.34Å; A337-F438 HydrophobicContact CB-CD2 4.39Å; T410-F438 HydrophobicContact CG2-CD2 4.42Å; T410-F438 HydrophobicContact CG2-CE2 4.14Å; C411-F438 PolarHBondContact O-N 3.19Å; I412-F438 WeakPolarHBondContact CA-O 3.38Å; I412-F438 HydrophobicContact CB-CB 3.99Å; I412-F438 HydrophobicContact CD1-CB 3.85Å; I412-F438 HydrophobicContact CG1-CB 3.7Å; G413-F438 PolarHBondContact N-O 3.16Å; L436-F438 WeakPolarHBondContact CD1-O 3.37Å; F438-L491 HydrophobicContact CB-CD1 4.46Å; F438-F492 CarbonylContact C-O 3.59Å; F438-F492 WeakPolarHBondContact CA-O 3.23Å; F438-E493 HydrophobicContact CD1-CB 3.34Å; F438-E493 HydrophobicContact CD1-CG 3.69Å; F438-E493 HydrophobicContact CE1-CB 3.68Å; F438-E493 HydrophobicContact CE1-CG 3.46Å; F438-E493 VanDerWaalsContact CE1-CG 3.46Å; F438-E493 HydrophobicContact CG-CB 4.28Å; F438-E493 HydrophobicContact CZ-CG 4.32Å
439L98.1Very high91.7Very high0 Ų036.5 Ų36.50%018%0.18CC..EExtended strand (participates in β ladder)trans-138.7120.9175.4176.270.2000110.2G413 L415 L430 L456 F469 F492G413-L439 CarbonylContact O-C 3.6Å; G413-L439 WeakPolarHBondContact O-CA 3.3Å; L415-L439 HydrophobicContact CB-CD1 4.04Å; L430-L439 HydrophobicContact CD1-CD2 4.03Å; L430-L439 HydrophobicContact CD2-CD1 4.41Å; L439-L456 HydrophobicContact CD2-CD1 3.88Å; L439-L456 HydrophobicContact CD2-CD2 4.04Å; L439-F469 HydrophobicContact CB-CD1 4.49Å; L439-F469 HydrophobicContact CB-CE1 3.82Å; L439-F469 HydrophobicContact CB-CZ 4.23Å; L439-F492 HydrophobicContact CB-CB 4.21Å; L439-F492 PolarHBondContact N-O 2.98Å; L439-F492 PolarHBondContact O-N 3.32Å
440V98.2Very high91.4Very high0 Ų037.4 Ų37.40%019%0.186CC..EExtended strand (participates in β ladder)trans-92.6116.3164.9179.30000107.9I328 L331 I412 G413 V414 L415 L489 L490 L491I328-V440 HydrophobicContact CG1-CG1 4.38Å; I328-V440 HydrophobicContact CG2-CG1 4.38Å; L331-V440 HydrophobicContact CB-CG2 4.12Å; L331-V440 HydrophobicContact CD1-CG1 4.22Å; L331-V440 HydrophobicContact CD1-CG2 4.47Å; I412-V440 HydrophobicContact CD1-CG2 4.09Å; G413-V440 PolarHBondContact O-N 2.81Å; V414-V440 CarbonylContact C-O 3.41Å; V414-V440 WeakPolarHBondContact CA-O 3.38Å; V414-V440 HydrophobicContact CG2-CB 4.17Å; L415-V440 PolarHBondContact N-O 3.28Å; V440-L489 HydrophobicContact CG1-CD2 4.38Å; V440-L490 CarbonylContact C-O 3.58Å; V440-L490 WeakPolarHBondContact CA-O 3.43Å; V440-L491 HydrophobicContact CG2-CD1 3.9Å
441Y96.8Very high91.1Very high0 Ų044.7 Ų44.70%021%0.214CC..EExtended strand (participates in β ladder)trans-102.2124.4176.1-161.1-60.2000109.1L415 P417 I422 A449 N452 F453 L456 L489 L490L415-Y441 HydrophobicContact CD2-CD2 3.68Å; L415-Y441 HydrophobicContact CD2-CE2 3.46Å; L415-Y441 VanDerWaalsContact CD2-CE2 3.46Å; L415-Y441 HydrophobicContact CD2-CG 4.47Å; L415-Y441 HydrophobicContact CG-CD2 4.45Å; L415-Y441 HydrophobicContact CG-CE2 4.39Å; P417-Y441 HydrophobicContact CG-CE1 3.62Å; I422-Y441 HydrophobicContact CD1-CE2 4.13Å; I422-Y441 HydrophobicContact CG1-CE2 4.35Å; Y441-A449 HydrophobicContact CE1-CB 4.33Å; Y441-N452 HydrophobicContact CE2-CB 4.32Å; Y441-N452 PolarHBondContact OH-OD1 3.16Å; Y441-F453 AromaticContact CD1-CE1 3.57Å; Y441-F453 HydrophobicContact CD1-CE1 3.57Å; Y441-F453 HydrophobicContact CD1-CZ 4.22Å; Y441-F453 HydrophobicContact CD2-CD1 4.35Å; Y441-F453 HydrophobicContact CD2-CE1 4.02Å; Y441-F453 AromaticContact CE1-CE1 3.63Å; Y441-F453 HydrophobicContact CE1-CE1 3.63Å; Y441-F453 HydrophobicContact CE1-CZ 4.22Å; Y441-F453 HydrophobicContact CE2-CD1 4.44Å; Y441-F453 HydrophobicContact CE2-CE1 4.05Å; Y441-F453 HydrophobicContact CG-CD1 4.43Å; Y441-F453 AromaticContact CG-CE1 3.79Å; Y441-F453 HydrophobicContact CG-CE1 3.79Å; Y441-F453 AromaticContact CZ-CE1 3.86Å; Y441-L456 HydrophobicContact CD2-CD1 4.14Å; Y441-L489 WeakPolarHBondContact O-CA 3.45Å; Y441-L490 PolarHBondContact N-O 2.96Å; Y441-L490 PolarHBondContact O-N 2.83Å
442V95.8Very high91Very high0 Ų045.3 Ų45.30%022%0.217CC..EExtended strand (participates in β ladder)trans-97132.2174-173.20000108.8L324 I328 V414 L415 D416 P417 L489L324-V442 HydrophobicContact CD2-CG1 4.33Å; I328-V442 HydrophobicContact CD1-CG2 4Å; V414-V442 HydrophobicContact CG1-CG2 4.27Å; L415-V442 PolarHBondContact O-N 3.05Å; D416-V442 HydrophobicContact CB-CB 4.09Å; D416-V442 HydrophobicContact CB-CG2 4.18Å; P417-V442 WeakPolarHBondContact CD-O 3.47Å; V442-L489 HydrophobicContact CB-CD2 4.17Å; V442-L489 HydrophobicContact CG1-CD2 4.13Å; V442-L489 HydrophobicContact CG2-CD2 3.64Å
443S92.8Very high90.9Very high7 Ų740.7 Ų40.75%0.04920%0.197CC..EExtended strand (participates in β ladder)trans-148.2120.8-178.7-171.60000114.2D445 A449 L488S443-D445 PolarHBondContact OG-O 3.32Å; S443-A449 WeakPolarHBondContact OG-CB 3.31Å; S443-L488 PolarHBondContact N-O 3.02Å; S443-L488 PolarHBondContact O-N 2.62Å
444C86.6Confident90.9Very high26 Ų2640.8 Ų40.818%0.17620%0.197CC..SBendtrans-83.2-38.8172.2-161.50000111.7F480 E487C444-F480 VanDerWaalsContact SG-CE2 3.54Å; C444-E487 VanDerWaalsContact CA-OE2 3.22Å; C444-E487 WeakPolarHBondContact CA-OE2 3.21Å; C444-E487 WeakPolarHBondContact CB-OE1 3.32Å; C444-E487 WeakPolarHBondContact CB-OE2 3.26Å; C444-E487 PolarHBondContact N-OE2 3.09Å; C444-E487 PolarHBondContact SG-OE1 3.36Å
445D83.4Confident91.1Very high69 Ų6933 Ų3337%0.36916%0.161SC..  trans-105.378.7175.9-174.16.4000111.1S443 R447 G448 A449S443-D445 PolarHBondContact OG-O 3.32Å; D445-R447 PolarHBondContact O-N 3.41Å; D445-R447 PolarHBondContact OD1-N 3.23Å; D445-R447 VanDerWaalsContact OD1-N 3.16Å; D445-G448 VanDerWaalsContact CG-N 3.34Å; D445-G448 PolarHBondContact O-N 3Å; D445-G448 VanDerWaalsContact O-N 3.15Å; D445-G448 PolarHBondContact OD1-N 3.47Å; D445-A449 WeakPolarHBondContact O-CB 3.42Å; D445-A449 PolarHBondContact O-N 3.09Å
446R79.5Confident91.2Very high30 Ų3032 Ų3211%0.11315%0.153CC..Hα-helixtrans-56.5-29.4176.868.6-171.5-180-89.22.4113.8F114 S450 Y486 L488F114-R446 HydrophobicContact CD1-CB 4.27Å; F114-R446 HydrophobicContact CD1-CG 4.43Å; F114-R446 HydrophobicContact CD2-CB 4.33Å; F114-R446 HydrophobicContact CD2-CG 4Å; F114-R446 HydrophobicContact CE1-CB 3.86Å; F114-R446 HydrophobicContact CE1-CG 4.45Å; F114-R446 HydrophobicContact CE2-CB 3.92Å; F114-R446 HydrophobicContact CE2-CG 4.01Å; F114-R446 WeakPolarHBondContact CE2-O 3.33Å; F114-R446 HydrophobicContact CG-CB 4.49Å; F114-R446 HydrophobicContact CG-CG 4.2Å; F114-R446 HydrophobicContact CZ-CB 3.66Å; F114-R446 HydrophobicContact CZ-CG 4.24Å; F114-R446 WeakPolarHBondContact CZ-O 3.33Å; R446-S450 PolarHBondContact O-N 2.89Å; R446-Y486 VanDerWaalsContact CD-OH 3.24Å; R446-Y486 WeakPolarHBondContact CD-OH 3.49Å; R446-Y486 VanDerWaalsContact CZ-OH 3.28Å; R446-Y486 PolarHBondContact NE-OH 3.21Å; R446-Y486 VanDerWaalsContact NE-OH 3.11Å; R446-L488 HydrophobicContact CB-CD2 4.42Å
447R78.4Confident91.2Very high171 Ų17132.3 Ų32.365%0.64516%0.155SC*.Hα-helixtrans-76.5-41178.6-73.7-177.1-73.2-163.4-8.4110.8D445 A449 S450D445-R447 PolarHBondContact O-N 3.41Å; D445-R447 PolarHBondContact OD1-N 3.23Å; D445-R447 VanDerWaalsContact OD1-N 3.16Å; R447-A449 VanDerWaalsContact C-N 3.33Å; R447-S450 PolarHBondContact O-OG 3.06Å
448G80.3Confident91.2Very high48 Ų4831.6 Ų31.650%0.49515%0.152SC..Hα-helixtrans-63.9-37.6172.800000112.8D445D445-G448 VanDerWaalsContact CG-N 3.34Å; D445-G448 PolarHBondContact O-N 3Å; D445-G448 VanDerWaalsContact O-N 3.15Å; D445-G448 PolarHBondContact OD1-N 3.47Å
449A85.3Confident91Very high4 Ų438.2 Ų38.23%0.03318%0.177CC..Hα-helixtrans-89.2-6.4-177.500000114.9Y441 S443 D445 R447 R451 N452 F453Y441-A449 HydrophobicContact CE1-CB 4.33Å; S443-A449 WeakPolarHBondContact OG-CB 3.31Å; D445-A449 WeakPolarHBondContact O-CB 3.42Å; D445-A449 PolarHBondContact O-N 3.09Å; R447-A449 VanDerWaalsContact C-N 3.33Å; A449-R451 VanDerWaalsContact C-N 3.27Å; A449-R451 PolarHBondContact O-N 3.05Å; A449-N452 WeakPolarHBondContact O-CA 3.38Å; A449-N452 VanDerWaalsContact O-CB 3.29Å; A449-N452 WeakPolarHBondContact O-CB 3.48Å; A449-N452 PolarHBondContact O-N 2.81Å; A449-F453 HydrophobicContact CB-CE1 3.84Å; A449-F453 HydrophobicContact CB-CE2 4.02Å; A449-F453 HydrophobicContact CB-CZ 3.42Å; A449-F453 VanDerWaalsContact CB-CZ 3.42Å; A449-F453 PolarHBondContact O-N 3.08Å
450S88.9Confident90.9Very high25 Ų2542 Ų4218%0.17520%0.2CC..Hα-helixtrans-55.2-42.9-174.865.80000112.7R446 R447 N452 F453 V454R446-S450 PolarHBondContact O-N 2.89Å; R447-S450 PolarHBondContact O-OG 3.06Å; S450-N452 VanDerWaalsContact C-N 3.29Å; S450-N452 PolarHBondContact O-N 3.49Å; S450-F453 WeakPolarHBondContact O-CB 3.18Å; S450-F453 PolarHBondContact O-N 3.39Å; S450-F453 VanDerWaalsContact O-N 3.14Å; S450-V454 WeakPolarHBondContact O-CG2 3.33Å; S450-V454 PolarHBondContact O-N 3.47Å
451R91.2Very high90.7Very high154 Ų15444.5 Ų44.558%0.58122%0.217SC*.Hα-helixtrans-61.9-36.7176.9-176.7173.1174.5-179.4-3112.2A449 F453 V454 D455A449-R451 VanDerWaalsContact C-N 3.27Å; A449-R451 PolarHBondContact O-N 3.05Å; R451-F453 VanDerWaalsContact C-N 3.33Å; R451-V454 PolarHBondContact O-N 3.04Å; R451-D455 IonicContact NE-OD2 3.14Å; R451-D455 VanDerWaalsContact O-CB 3.23Å; R451-D455 WeakPolarHBondContact O-CB 3.12Å; R451-D455 VanDerWaalsContact O-CG 3.28Å; R451-D455 PolarHBondContact O-N 2.82Å
452N92.5Very high90.5Very high15 Ų1552.8 Ų52.88%0.0826%0.262CS..Hα-helixtrans-63-42175.7-65.6143.4000111I422 I427 Y441 A449 S450 D455 L456I422-N452 PolarHBondContact O-ND2 3.36Å; I422-N452 VanDerWaalsContact O-ND2 3.14Å; I427-N452 HydrophobicContact CD1-CB 3.72Å; I427-N452 HydrophobicContact CG1-CB 4.43Å; Y441-N452 HydrophobicContact CE2-CB 4.32Å; Y441-N452 PolarHBondContact OH-OD1 3.16Å; A449-N452 WeakPolarHBondContact O-CA 3.38Å; A449-N452 VanDerWaalsContact O-CB 3.29Å; A449-N452 WeakPolarHBondContact O-CB 3.48Å; A449-N452 PolarHBondContact O-N 2.81Å; S450-N452 VanDerWaalsContact C-N 3.29Å; S450-N452 PolarHBondContact O-N 3.49Å; N452-D455 PolarHBondContact O-N 3.12Å; N452-L456 WeakPolarHBondContact O-CG 3.28Å; N452-L456 PolarHBondContact O-N 3.02Å
453F93.1Very high90.4Very high2 Ų262.6 Ų62.61%0.00930%0.299CS..Hα-helixtrans-63-46.7177.9-49.8-28.9000111.5F114 V118 Y441 A449 S450 R451 D455 L456 C457 L490 F492F114-F453 HydrophobicContact CE1-CD2 4.34Å; F114-F453 HydrophobicContact CE1-CE2 4.1Å; F114-F453 AromaticContact CZ-CD2 3.98Å; F114-F453 HydrophobicContact CZ-CD2 3.98Å; F114-F453 AromaticContact CZ-CE2 3.78Å; F114-F453 HydrophobicContact CZ-CE2 3.78Å; V118-F453 HydrophobicContact CG1-CB 4.23Å; Y441-F453 AromaticContact CD1-CE1 3.57Å; Y441-F453 HydrophobicContact CD1-CE1 3.57Å; Y441-F453 HydrophobicContact CD1-CZ 4.22Å; Y441-F453 HydrophobicContact CD2-CD1 4.35Å; Y441-F453 HydrophobicContact CD2-CE1 4.02Å; Y441-F453 AromaticContact CE1-CE1 3.63Å; Y441-F453 HydrophobicContact CE1-CE1 3.63Å; Y441-F453 HydrophobicContact CE1-CZ 4.22Å; Y441-F453 HydrophobicContact CE2-CD1 4.44Å; Y441-F453 HydrophobicContact CE2-CE1 4.05Å; Y441-F453 HydrophobicContact CG-CD1 4.43Å; Y441-F453 AromaticContact CG-CE1 3.79Å; Y441-F453 HydrophobicContact CG-CE1 3.79Å; Y441-F453 AromaticContact CZ-CE1 3.86Å; A449-F453 HydrophobicContact CB-CE1 3.84Å; A449-F453 HydrophobicContact CB-CE2 4.02Å; A449-F453 HydrophobicContact CB-CZ 3.42Å; A449-F453 VanDerWaalsContact CB-CZ 3.42Å; A449-F453 PolarHBondContact O-N 3.08Å; S450-F453 WeakPolarHBondContact O-CB 3.18Å; S450-F453 PolarHBondContact O-N 3.39Å; S450-F453 VanDerWaalsContact O-N 3.14Å; R451-F453 VanDerWaalsContact C-N 3.33Å; F453-D455 VanDerWaalsContact C-N 3.32Å; F453-D455 PolarHBondContact O-N 2.7Å; F453-L456 PolarHBondContact O-N 3.42Å; F453-C457 PolarHBondContact O-N 3.01Å; F453-C457 PolarHBondContact O-SG 3.3Å; F453-L490 HydrophobicContact CD1-CD1 3.8Å; F453-L490 HydrophobicContact CD2-CD1 3.69Å; F453-L490 HydrophobicContact CE1-CD1 3.66Å; F453-L490 HydrophobicContact CE2-CD1 3.53Å; F453-L490 HydrophobicContact CG-CD1 3.84Å; F453-L490 HydrophobicContact CZ-CD1 3.52Å; F453-F492 HydrophobicContact CB-CZ 4.02Å; F453-F492 HydrophobicContact CD1-CE2 4.29Å; F453-F492 HydrophobicContact CD1-CZ 4.1Å; F453-F492 HydrophobicContact CG-CZ 4.25Å
454V94.5Very high90.5Very high5 Ų563 Ų633%0.0330%0.299CS..Hα-helixtrans-60.1-44.1176.5175.20000111V118 E121 I122 V125 S450 R451 C457 R458V118-V454 HydrophobicContact CG1-CG2 4.24Å; E121-V454 HydrophobicContact CB-CG1 4.28Å; E121-V454 HydrophobicContact CB-CG2 3.63Å; I122-V454 HydrophobicContact CG1-CG2 4.22Å; V125-V454 HydrophobicContact CB-CG1 4.32Å; V125-V454 HydrophobicContact CG1-CG1 3.86Å; V125-V454 HydrophobicContact CG2-CG1 3.55Å; S450-V454 WeakPolarHBondContact O-CG2 3.33Å; S450-V454 PolarHBondContact O-N 3.47Å; R451-V454 PolarHBondContact O-N 3.04Å; V454-C457 PolarHBondContact O-N 3.28Å; V454-R458 PolarHBondContact O-N 3.46Å
455D94.8Very high90.9Very high3 Ų363.4 Ų63.42%0.01630%0.302CS..Hα-helixtrans-72.9-27.9-177.7-77.2-16.7000113.2I427 R431 R451 N452 F453 C457 R458 F464I427-D455 HydrophobicContact CG2-CB 4.05Å; R431-D455 PolarHBondContact NH1-O 2.94Å; R451-D455 IonicContact NE-OD2 3.14Å; R451-D455 VanDerWaalsContact O-CB 3.23Å; R451-D455 WeakPolarHBondContact O-CB 3.12Å; R451-D455 VanDerWaalsContact O-CG 3.28Å; R451-D455 PolarHBondContact O-N 2.82Å; N452-D455 PolarHBondContact O-N 3.12Å; F453-D455 VanDerWaalsContact C-N 3.32Å; F453-D455 PolarHBondContact O-N 2.7Å; D455-C457 VanDerWaalsContact C-N 3.3Å; D455-R458 IonicContact OD1-CZ 2.8Å; D455-R458 IonicContact OD1-NE 2.66Å; D455-R458 PolarHBondContact OD1-NE 2.81Å; D455-R458 IonicContact OD1-NH2 2.64Å; D455-R458 PolarHBondContact OD1-NH2 2.93Å; D455-F464 HydrophobicContact CB-CD1 4.35Å; D455-F464 HydrophobicContact CB-CE1 3.55Å; D455-F464 HydrophobicContact CB-CZ 4.1Å; D455-F464 VanDerWaalsContact CG-CE1 3.46Å; D455-F464 VanDerWaalsContact CG-CZ 3.45Å; D455-F464 WeakPolarHBondContact OD1-CZ 3.38Å
456L95.6Very high91.4Very high0 Ų061 Ų610%029%0.294CS..Hα-helixtrans-63-37.9168-76.8165.2000111.4I427 L430 R431 L439 Y441 N452 F453 F469 F492I427-L456 HydrophobicContact CD1-CD1 4.35Å; I427-L456 HydrophobicContact CD1-CD2 4.21Å; I427-L456 HydrophobicContact CD1-CG 4Å; I427-L456 HydrophobicContact CG2-CD2 4.05Å; I427-L456 HydrophobicContact CG2-CG 4.14Å; L430-L456 HydrophobicContact CB-CD2 4.35Å; L430-L456 HydrophobicContact CD1-CD2 4.26Å; R431-L456 PolarHBondContact NH1-O 3.06Å; L439-L456 HydrophobicContact CD2-CD1 3.88Å; L439-L456 HydrophobicContact CD2-CD2 4.04Å; Y441-L456 HydrophobicContact CD2-CD1 4.14Å; N452-L456 WeakPolarHBondContact O-CG 3.28Å; N452-L456 PolarHBondContact O-N 3.02Å; F453-L456 PolarHBondContact O-N 3.42Å; L456-F469 HydrophobicContact CB-CB 4.4Å; L456-F469 HydrophobicContact CB-CD2 4.27Å; L456-F469 HydrophobicContact CD2-CD2 3.8Å; L456-F469 HydrophobicContact CD2-CE2 3.84Å; L456-F469 PolarHBondContact O-N 3.38Å; L456-F492 HydrophobicContact CD1-CD2 4.41Å; L456-F492 HydrophobicContact CD1-CE2 4.25Å; L456-F492 HydrophobicContact CD1-CZ 4.45Å
457C96.2Very high92.2Very high7 Ų761.9 Ų61.95%0.04731%0.305CS..Hα-helixtrans-88.8-9.2-178-60.80000115.2I122 F453 V454 D455 F469I122-C457 HydrophobicContact CB-CB 4.44Å; I122-C457 HydrophobicContact CD1-CB 4.35Å; I122-C457 HydrophobicContact CG1-CB 4.06Å; I122-C457 HydrophobicContact CG2-CB 3.65Å; F453-C457 PolarHBondContact O-N 3.01Å; F453-C457 PolarHBondContact O-SG 3.3Å; V454-C457 PolarHBondContact O-N 3.28Å; D455-C457 VanDerWaalsContact C-N 3.3Å; C457-F469 WeakPolarHBondContact CA-O 3.36Å; C457-F469 VanDerWaalsContact CB-O 3.32Å; C457-F469 WeakPolarHBondContact CB-O 3.41Å; C457-F469 PolarHBondContact SG-O 3.21Å
458R95.3Very high93.1Very high70 Ų7055.8 Ų55.826%0.26429%0.287SS..SBendtrans-60.2141.5-176.3-174.3177.7-64-82.10.4112.5V125 R431 V454 D455 F464 P468V125-R458 HydrophobicContact CB-CB 4.4Å; V125-R458 HydrophobicContact CB-CG 4.11Å; V125-R458 HydrophobicContact CG2-CB 4.1Å; V125-R458 HydrophobicContact CG2-CG 4.37Å; R431-R458 PolarHBondContact NH1-O 3.21Å; R431-R458 PolarHBondContact NH2-O 2.91Å; V454-R458 PolarHBondContact O-N 3.46Å; D455-R458 IonicContact OD1-CZ 2.8Å; D455-R458 IonicContact OD1-NE 2.66Å; D455-R458 PolarHBondContact OD1-NE 2.81Å; D455-R458 IonicContact OD1-NH2 2.64Å; D455-R458 PolarHBondContact OD1-NH2 2.93Å; R458-F464 HydrophobicContact CG-CD2 4.37Å; R458-F464 HydrophobicContact CG-CG 4.44Å; R458-P468 WeakPolarHBondContact O-CB 3.39Å
459R94.5Very high93.9Very high167 Ų16753.6 Ų53.663%0.6326%0.264SS*.PPolyproline II helixtrans-57.4145.5175.3-169.1175179.6-172.61.1112.1V125 S461V125-R459 PolarHBondContact O-N 3.18Å; R459-S461 PolarHBondContact O-N 3.45Å
460T95.4Very high94.4Very high78 Ų7855.1 Ų55.148%0.47927%0.274SS..PPolyproline II helixtrans-56.2130.9177.9-51.90000111.5F464 G466T460-F464 WeakPolarHBondContact CA-O 3.49Å; T460-G466 WeakPolarHBondContact CG2-O 3.48Å; T460-G466 PolarHBondContact OG1-O 2.82Å
461S94.4Very high94.8Very high53 Ų5354.5 Ų54.537%0.37127%0.269SS..  trans-155173.2177.763.80000110.2R459 R463 F464 P465R459-S461 PolarHBondContact O-N 3.45Å; S461-R463 PolarHBondContact O-N 3.46Å; S461-F464 PolarHBondContact N-O 2.97Å; S461-F464 CarbonylContact O-C 3.58Å; S461-F464 PolarHBondContact O-N 3.36Å; S461-F464 PolarHBondContact OG-N 3.13Å; S461-P465 VanDerWaalsContact O-N 3.11Å
462N93.1Very high95Very high174 Ų17451 Ų5193%0.9326%0.258SS*.SBendtrans-57.4-32.1175.2-68.5-11.7000113.1
463R92.7Very high95.3Very high206 Ų20651.7 Ų51.778%0.77726%0.261SS*.SBendtrans-80.7-26.9177.2-67.7-174.2-175.7-177.72113.2S461S461-R463 PolarHBondContact O-N 3.46Å
464F94.5Very high95.5Very high15 Ų1551.6 Ų51.67%0.06626%0.261CS..SBendtrans-132.273-178.8-68.7-89.6000109.6Q424 R431 D455 R458 T460 S461Q424-F464 HydrophobicContact CG-CE1 4.47Å; R431-F464 PolarHBondContact NH2-O 3.24Å; D455-F464 HydrophobicContact CB-CD1 4.35Å; D455-F464 HydrophobicContact CB-CE1 3.55Å; D455-F464 HydrophobicContact CB-CZ 4.1Å; D455-F464 VanDerWaalsContact CG-CE1 3.46Å; D455-F464 VanDerWaalsContact CG-CZ 3.45Å; D455-F464 WeakPolarHBondContact OD1-CZ 3.38Å; R458-F464 HydrophobicContact CG-CD2 4.37Å; R458-F464 HydrophobicContact CG-CG 4.44Å; T460-F464 WeakPolarHBondContact CA-O 3.49Å; S461-F464 PolarHBondContact N-O 2.97Å; S461-F464 CarbonylContact O-C 3.58Å; S461-F464 PolarHBondContact O-N 3.36Å; S461-F464 PolarHBondContact OG-N 3.13Å
465P95.4Very high95.7Very high35 Ų3551.3 Ų51.323%0.22726%0.26CS..  trans-68.8170.8177.730.5-35.9000111I428 R431 K432 S461I428-P465 HydrophobicContact CG2-CG 3.92Å; R431-P465 WeakPolarHBondContact CB-O 3.46Å; R431-P465 PolarHBondContact NE-O 2.85Å; R431-P465 VanDerWaalsContact NE-O 3.13Å; K432-P465 HydrophobicContact CD-CG 4.21Å; K432-P465 HydrophobicContact CG-CB 4.38Å; K432-P465 HydrophobicContact CG-CG 4.16Å; S461-P465 VanDerWaalsContact O-N 3.11Å
466G95Very high95.9Very high20 Ų2051.2 Ų51.221%0.20626%0.259CS..SBendtrans78.7173.4-176.200000113.3R431 T460R431-G466 PolarHBondContact NH2-O 3.39Å; R431-G466 WeakPolarHBondContact O-CA 3.33Å; T460-G466 WeakPolarHBondContact CG2-O 3.48Å; T460-G466 PolarHBondContact OG1-O 2.82Å
467S95.6Very high96Very high48 Ų4851.2 Ų51.234%0.33626%0.259SS..PPolyproline II helixtrans-74.5137.9-177.3-52.60000111.1R431R431-S467 PolarHBondContact O-N 2.68Å
468P96.3Very high96.1Very high42 Ų4250.9 Ų50.927%0.27326%0.257SS..PPolyproline II helixtrans-65.4154.6172.430-34.7000111R458 K494R458-P468 WeakPolarHBondContact O-CB 3.39Å; P468-K494 WeakPolarHBondContact O-CA 3.05Å
469F97.1Very high96.1Very high3 Ų347.5 Ų47.51%0.01324%0.244CC..PPolyproline II helixtrans-95.9159.7165.3-72-96.1000111.3L430 R431 L436 L439 L456 C457 F492 E493 K494L430-F469 HydrophobicContact CB-CE2 4.48Å; R431-F469 HydrophobicContact CG-CD2 4.38Å; R431-F469 HydrophobicContact CG-CE2 4.3Å; L436-F469 HydrophobicContact CD2-CZ 4.18Å; L436-F469 HydrophobicContact CG-CZ 4.43Å; L439-F469 HydrophobicContact CB-CD1 4.49Å; L439-F469 HydrophobicContact CB-CE1 3.82Å; L439-F469 HydrophobicContact CB-CZ 4.23Å; L456-F469 HydrophobicContact CB-CB 4.4Å; L456-F469 HydrophobicContact CB-CD2 4.27Å; L456-F469 HydrophobicContact CD2-CD2 3.8Å; L456-F469 HydrophobicContact CD2-CE2 3.84Å; L456-F469 PolarHBondContact O-N 3.38Å; C457-F469 WeakPolarHBondContact CA-O 3.36Å; C457-F469 VanDerWaalsContact CB-O 3.32Å; C457-F469 WeakPolarHBondContact CB-O 3.41Å; C457-F469 PolarHBondContact SG-O 3.21Å; F469-F492 HydrophobicContact CB-CB 3.94Å; F469-F492 HydrophobicContact CB-CD1 4.09Å; F469-F492 HydrophobicContact CB-CG 4.39Å; F469-F492 HydrophobicContact CD1-CB 3.65Å; F469-F492 HydrophobicContact CE1-CB 4.42Å; F469-F492 HydrophobicContact CG-CB 4.08Å; F469-E493 CarbonylContact C-O 3.54Å; F469-E493 WeakPolarHBondContact CA-O 3.44Å; F469-K494 HydrophobicContact CD1-CB 4.41Å; F469-K494 HydrophobicContact CD1-CG 3.52Å; F469-K494 HydrophobicContact CD2-CG 4.04Å; F469-K494 HydrophobicContact CE1-CD 4.22Å; F469-K494 HydrophobicContact CE1-CG 3.46Å; F469-K494 VanDerWaalsContact CE1-CG 3.46Å; F469-K494 HydrophobicContact CE2-CD 4.29Å; F469-K494 HydrophobicContact CE2-CG 3.97Å; F469-K494 HydrophobicContact CG-CG 3.85Å; F469-K494 HydrophobicContact CZ-CD 4.04Å; F469-K494 HydrophobicContact CZ-CG 3.71Å
470S96.2Very high96.2Very high36 Ų3640 Ų4025%0.25222%0.216SC..EExtended strand (participates in β ladder)trans-119.6130.7172.8-610000108.8K472 F492 E493S470-K472 PolarHBondContact O-N 3Å; S470-F492 CarbonylContact O-C 3.53Å; S470-F492 WeakPolarHBondContact O-CA 3.44Å; S470-E493 WeakPolarHBondContact CB-O 3.34Å; S470-E493 PolarHBondContact N-O 3.19Å; S470-E493 PolarHBondContact O-N 3.17Å
471L96.7Very high96.4Very high11 Ų1136.3 Ų36.36%0.05819%0.193CC..EExtended strand (participates in β ladder)trans-72.3121.2175.4179.661.4000110.4L115 G137 L490 F492L115-L471 HydrophobicContact CD2-CD2 4.12Å; G137-L471 WeakPolarHBondContact CA-O 3.5Å; G137-L471 PolarHBondContact N-O 3.16Å; L471-L490 HydrophobicContact CD1-CB 3.87Å; L471-L490 HydrophobicContact CD1-CD2 3.76Å; L471-L490 HydrophobicContact CD1-CG 4.32Å; L471-L490 HydrophobicContact CD2-CD2 4.35Å; L471-F492 HydrophobicContact CB-CD1 4.17Å; L471-F492 HydrophobicContact CB-CE1 3.89Å; L471-F492 HydrophobicContact CD1-CD1 4.24Å; L471-F492 HydrophobicContact CD1-CE1 3.87Å; L471-F492 HydrophobicContact CD1-CE2 4.35Å; L471-F492 HydrophobicContact CD1-CZ 3.93Å; L471-F492 HydrophobicContact CG-CE1 4.42Å
472K97Very high96.5Very high81 Ų8134.3 Ų34.335%0.35218%0.178SC..EExtended strand (participates in β ladder)trans-106.2-40.3-176.5-60.5-54.2-172.3-174.50113.5G137 I138 S470 L491 E493G137-K472 CarbonylContact C-O 3.46Å; G137-K472 WeakPolarHBondContact CA-O 3.33Å; I138-K472 PolarHBondContact N-O 2.98Å; S470-K472 PolarHBondContact O-N 3Å; K472-L491 HydrophobicContact CB-CD2 4.46Å; K472-L491 HydrophobicContact CB-CG 4.42Å; K472-L491 PolarHBondContact N-O 3.47Å; K472-E493 WeakPolarHBondContact CE-OE2 3.49Å; K472-E493 HydrophobicContact CG-CB 4.47Å
473N97.8Very high96.7Very high29 Ų2926.4 Ų26.416%0.15514%0.136CC..EExtended strand (participates in β ladder)trans-142.4151.3-179.5-62.581000111.4I138 L331 L490 L491I138-N473 WeakPolarHBondContact O-CA 3.25Å; L331-N473 HydrophobicContact CD2-CB 3.77Å; N473-L490 WeakPolarHBondContact O-CA 3.35Å; N473-L491 HydrophobicContact CB-CB 4.03Å; N473-L491 PolarHBondContact N-O 3.27Å; N473-L491 PolarHBondContact O-N 3.05Å
474A97.7Very high96.8Very high0 Ų020.2 Ų20.20%012%0.116CC..EExtended strand (participates in β ladder)trans-134.3125.4170.900000109.7L115 I138 L139 Q140 L488 L489 L490L115-A474 HydrophobicContact CD1-CB 3.55Å; L115-A474 HydrophobicContact CD2-CB 4.1Å; L115-A474 HydrophobicContact CG-CB 4.44Å; I138-A474 PolarHBondContact O-N 3.07Å; L139-A474 WeakPolarHBondContact CA-O 3.43Å; L139-A474 HydrophobicContact CD1-CB 4.22Å; Q140-A474 PolarHBondContact N-O 3.37Å; A474-L488 HydrophobicContact CB-CD1 4.33Å; A474-L489 CarbonylContact C-O 3.48Å; A474-L489 VanDerWaalsContact CA-O 3.27Å; A474-L489 WeakPolarHBondContact CA-O 3.28Å; A474-L490 HydrophobicContact CB-CD2 3.65Å
475I98.2Very high96.8Very high0 Ų023.6 Ų23.60%013%0.132CC..EExtended strand (participates in β ladder)trans-126.7108.1179-48.2-179.3000108.6Q140 R143 A327 L331 V477 L489Q140-I475 HydrophobicContact CB-CG1 4.13Å; Q140-I475 HydrophobicContact CB-CG2 4.44Å; Q140-I475 HydrophobicContact CG-CD1 4.46Å; Q140-I475 HydrophobicContact CG-CG1 3.99Å; R143-I475 HydrophobicContact CG-CG2 3.86Å; A327-I475 HydrophobicContact CB-CD1 4.44Å; A327-I475 HydrophobicContact CB-CG2 4.46Å; L331-I475 HydrophobicContact CD1-CD1 3.94Å; L331-I475 HydrophobicContact CD1-CG1 4.44Å; L331-I475 HydrophobicContact CD2-CD1 3.73Å; L331-I475 HydrophobicContact CD2-CG1 4.41Å; L331-I475 HydrophobicContact CG-CD1 3.75Å; I475-V477 HydrophobicContact CG2-CG2 4.27Å; I475-L489 HydrophobicContact CB-CB 4.22Å; I475-L489 PolarHBondContact N-O 2.88Å; I475-L489 PolarHBondContact O-N 3.45Å
476P98.3Very high96.8Very high0 Ų022 Ų220%012%0.122CC..EExtended strand (participates in β ladder)trans-74.9137.1168.723-19.8000110.1C111 L139 I142 R143 Y486 E487 L488C111-P476 HydrophobicContact CB-CB 4.38Å; C111-P476 HydrophobicContact CB-CG 4.3Å; L139-P476 HydrophobicContact CD1-CG 4.14Å; I142-P476 CarbonylContact C-O 3.54Å; I142-P476 VanDerWaalsContact CA-O 3.29Å; I142-P476 WeakPolarHBondContact CA-O 3.23Å; I142-P476 HydrophobicContact CB-CB 4.16Å; I142-P476 HydrophobicContact CB-CG 3.88Å; I142-P476 HydrophobicContact CD1-CB 4.25Å; I142-P476 HydrophobicContact CG1-CB 4Å; I142-P476 HydrophobicContact CG1-CG 4.29Å; R143-P476 PolarHBondContact N-O 3.44Å; P476-Y486 HydrophobicContact CB-CD2 3.76Å; P476-Y486 HydrophobicContact CB-CE2 3.85Å; P476-E487 CarbonylContact C-O 3.57Å; P476-E487 WeakPolarHBondContact CA-O 3.35Å; P476-L488 HydrophobicContact CB-CD1 4.46Å
477V98.5Very high96.9Very high0 Ų021.4 Ų21.40%011%0.113CC..EExtended strand (participates in β ladder)trans-128.3120.9177.2-178.30000108.6R143 V323 L324 A327 I475 M479 Y486 E487 L489R143-V477 HydrophobicContact CB-CG1 4.36Å; R143-V477 HydrophobicContact CB-CG2 4.19Å; R143-V477 HydrophobicContact CG-CG2 4.25Å; V323-V477 HydrophobicContact CB-CG1 4.38Å; V323-V477 HydrophobicContact CG1-CG1 3.98Å; L324-V477 HydrophobicContact CB-CG1 4.23Å; L324-V477 HydrophobicContact CD1-CB 4.01Å; L324-V477 HydrophobicContact CD1-CG1 4.32Å; L324-V477 HydrophobicContact CD1-CG2 3.95Å; A327-V477 HydrophobicContact CB-CG2 4.44Å; I475-V477 HydrophobicContact CG2-CG2 4.27Å; V477-M479 HydrophobicContact CG1-CG 4.44Å; V477-M479 HydrophobicContact CG1-SD 4.4Å; V477-M479 PolarHBondContact O-N 3.09Å; V477-M479 VanDerWaalsContact O-N 3.14Å; V477-Y486 WeakPolarHBondContact O-CB 3.41Å; V477-E487 PolarHBondContact N-O 3.43Å; V477-E487 PolarHBondContact O-N 3.25Å; V477-L489 HydrophobicContact CG2-CD1 4.34Å
478D98.3Very high96.9Very high0 Ų019.1 Ų19.10%010%0.098CC..  trans-76.9104.3176.9-173.917.7000111.4Y100 L104 K107 I142 R143 S145 F480Y100-D478 WeakPolarHBondContact CE2-OD2 3.38Å; Y100-D478 PolarHBondContact OH-OD2 3.44Å; L104-D478 HydrophobicContact CD2-CB 4Å; K107-D478 IonicContact NZ-OD1 2.85Å; K107-D478 PolarHBondContact NZ-OD1 3.49Å; K107-D478 IonicContact NZ-OD2 3.52Å; K107-D478 PolarHBondContact NZ-OD2 3.28Å; K107-D478 VanDerWaalsContact NZ-OD2 3.08Å; I142-D478 HydrophobicContact CD1-CB 4.2Å; I142-D478 HydrophobicContact CG1-CB 4.5Å; R143-D478 PolarHBondContact O-N 3.34Å; S145-D478 VanDerWaalsContact CB-O 3.3Å; S145-D478 WeakPolarHBondContact CB-O 3.41Å; D478-F480 VanDerWaalsContact OD1-C 3.25Å; D478-F480 PolarHBondContact OD1-N 2.92Å
479M95.8Very high97Very high0 Ų017.1 Ų17.10%09%0.085CC..  trans-96.2-13.9172.6-69.1-64.8-74.200113Q315 N317 G320 C321 L324 V477 E487Q315-M479 HydrophobicContact CB-CE 4.03Å; Q315-M479 HydrophobicContact CG-CE 4.34Å; N317-M479 HydrophobicContact CB-CE 4.16Å; N317-M479 WeakPolarHBondContact CB-O 3.35Å; N317-M479 PolarHBondContact ND2-O 3.39Å; G320-M479 WeakPolarHBondContact CA-SD 3.5Å; C321-M479 HydrophobicContact CB-CE 3.98Å; C321-M479 PolarHBondContact N-SD 3.03Å; C321-M479 VanDerWaalsContact N-SD 3.43Å; L324-M479 HydrophobicContact CB-SD 4.26Å; V477-M479 HydrophobicContact CG1-CG 4.44Å; V477-M479 HydrophobicContact CG1-SD 4.4Å; V477-M479 PolarHBondContact O-N 3.09Å; V477-M479 VanDerWaalsContact O-N 3.14Å; M479-E487 HydrophobicContact CB-CG 4.11Å; M479-E487 HydrophobicContact CG-CB 4.1Å; M479-E487 HydrophobicContact CG-CG 3.46Å; M479-E487 VanDerWaalsContact CG-CG 3.46Å
480F97.1Very high97Very high8 Ų817.1 Ų17.14%0.0358%0.084CC..SBendtrans-134.768.7-168.9-45.6-81.3000112.3K107 V316 C444 D478 T483 H485 E487K107-F480 PolarHBondContact NZ-O 3.36Å; V316-F480 HydrophobicContact CG2-CD1 4.22Å; V316-F480 HydrophobicContact CG2-CE1 3.67Å; C444-F480 VanDerWaalsContact SG-CE2 3.54Å; D478-F480 VanDerWaalsContact OD1-C 3.25Å; D478-F480 PolarHBondContact OD1-N 2.92Å; F480-T483 HydrophobicContact CB-CG2 4.46Å; F480-T483 WeakPolarHBondContact CB-OG1 3.45Å; F480-T483 PolarHBondContact O-N 3.34Å; F480-T483 PolarHBondContact O-OG1 3.49Å; F480-H485 HydrophobicContact CB-CB 4.02Å; F480-H485 HydrophobicContact CD2-CB 3.63Å; F480-H485 HydrophobicContact CE2-CB 4.37Å; F480-H485 HydrophobicContact CG-CB 3.99Å; F480-E487 HydrophobicContact CE2-CG 4.34Å
481P97.9Very high97.1Very high1 Ų115.7 Ų15.71%0.0067%0.074CC..THydrogen-bonded Turntrans-51.1149.2170.4-28.337.6000112.4Y100 Q148 Y151 T483Y100-P481 HydrophobicContact CD2-CB 4.48Å; Y100-P481 HydrophobicContact CE2-CB 3.89Å; Y100-P481 HydrophobicContact CE2-CG 4.06Å; Q148-P481 HydrophobicContact CB-CB 4.25Å; Y151-P481 HydrophobicContact CD1-CG 4.45Å; Y151-P481 HydrophobicContact CE1-CB 4.19Å; Y151-P481 HydrophobicContact CE1-CG 4.31Å; Y151-P481 PolarHBondContact OH-O 3.47Å; P481-T483 PolarHBondContact O-N 3.08Å
482M97.5Very high97.1Very high11 Ų1115.1 Ų15.15%0.0547%0.071CC..THydrogen-bonded Turntrans66.912.7-174.7-51171.8-104.200115.3T93 W95 H96 Q148 E149 Y151 K188 H189T93-M482 CarbonylContact C-O 3.56Å; T93-M482 VanDerWaalsContact CA-O 3.24Å; T93-M482 WeakPolarHBondContact CA-O 3.42Å; T93-M482 HydrophobicContact CG2-CB 3.84Å; T93-M482 HydrophobicContact CG2-SD 4.45Å; W95-M482 PolarHBondContact N-O 2.77Å; H96-M482 HydrophobicContact CB-CB 4.5Å; H96-M482 HydrophobicContact CB-SD 4.21Å; Q148-M482 WeakPolarHBondContact O-CE 3.4Å; E149-M482 HydrophobicContact CG-CE 4.16Å; Y151-M482 HydrophobicContact CE1-CE 4.35Å; K188-M482 HydrophobicContact CB-CE 3.91Å; K188-M482 HydrophobicContact CB-SD 3.79Å; K188-M482 HydrophobicContact CD-SD 4.09Å; H189-M482 HydrophobicContact CB-CE 4.1Å
483T96.1Very high97.2Very high9 Ų913.7 Ų13.76%0.0557%0.066CC..SBendtrans-134.1165.3176.581.10000111.1T93 W95 K107 F480 P481 H485T93-T483 HydrophobicContact CG2-CG2 4.29Å; W95-T483 WeakPolarHBondContact CZ3-O 3.34Å; K107-T483 WeakPolarHBondContact CE-O 3.43Å; K107-T483 PolarHBondContact NZ-O 2.67Å; K107-T483 VanDerWaalsContact NZ-O 3.1Å; F480-T483 HydrophobicContact CB-CG2 4.46Å; F480-T483 WeakPolarHBondContact CB-OG1 3.45Å; F480-T483 PolarHBondContact O-N 3.34Å; F480-T483 PolarHBondContact O-OG1 3.49Å; P481-T483 PolarHBondContact O-N 3.08Å; T483-H485 PolarHBondContact O-N 3.45Å; T483-H485 PolarHBondContact OG1-N 3.41Å; T483-H485 VanDerWaalsContact OG1-N 3.16Å
484E94.9Very high97Very high76 Ų7614.9 Ų14.936%0.3557%0.069SC..SBendtrans-74-7.317365169.4-17400114.3W95W95-E484 HydrophobicContact CH2-CB 3.82Å; W95-E484 HydrophobicContact CZ2-CB 3.69Å; W95-E484 HydrophobicContact CZ3-CB 4.46Å
485H95Very high96.9Very high86 Ų8615.6 Ų15.640%0.3987%0.073SC..  trans-82.9147.6-173.7-56.1-64.2000112K107 F480 T483K107-H485 VanDerWaalsContact CE-O 3.24Å; K107-H485 WeakPolarHBondContact CE-O 3.28Å; K107-H485 PolarHBondContact NZ-O 2.9Å; K107-H485 VanDerWaalsContact NZ-O 3.12Å; F480-H485 HydrophobicContact CB-CB 4.02Å; F480-H485 HydrophobicContact CD2-CB 3.63Å; F480-H485 HydrophobicContact CE2-CB 4.37Å; F480-H485 HydrophobicContact CG-CB 3.99Å; T483-H485 PolarHBondContact O-N 3.45Å; T483-H485 PolarHBondContact OG1-N 3.41Å; T483-H485 VanDerWaalsContact OG1-N 3.16Å
486Y96Very high96.9Very high1 Ų116.4 Ų16.40%0.0048%0.077CC..  trans-158.1156.7172.459.9-87.5000107.8K107 C111 R446 P476 V477 L488K107-Y486 HydrophobicContact CB-CD1 3.91Å; K107-Y486 HydrophobicContact CB-CE1 4.24Å; K107-Y486 HydrophobicContact CD-CD1 4.28Å; K107-Y486 HydrophobicContact CG-CD1 3.84Å; K107-Y486 HydrophobicContact CG-CE1 4.44Å; C111-Y486 WeakPolarHBondContact CA-OH 3.44Å; C111-Y486 HydrophobicContact CB-CE2 4.05Å; C111-Y486 VanDerWaalsContact CB-OH 3.28Å; C111-Y486 WeakPolarHBondContact CB-OH 3.18Å; C111-Y486 PolarHBondContact N-OH 3.29Å; R446-Y486 VanDerWaalsContact CD-OH 3.24Å; R446-Y486 WeakPolarHBondContact CD-OH 3.49Å; R446-Y486 VanDerWaalsContact CZ-OH 3.28Å; R446-Y486 PolarHBondContact NE-OH 3.21Å; R446-Y486 VanDerWaalsContact NE-OH 3.11Å; P476-Y486 HydrophobicContact CB-CD2 3.76Å; P476-Y486 HydrophobicContact CB-CE2 3.85Å; V477-Y486 WeakPolarHBondContact O-CB 3.41Å; Y486-L488 HydrophobicContact CE2-CB 4.35Å
487E96.2Very high96.8Very high7 Ų717.3 Ų17.33%0.0338%0.081CC..EExtended strand (participates in β ladder)trans-84.9141.1171.4-67.3-61.6154.200109.5L324 C444 P476 V477 M479 F480L324-E487 HydrophobicContact CD1-CB 3.89Å; L324-E487 HydrophobicContact CD1-CG 4.45Å; L324-E487 HydrophobicContact CD2-CG 4.39Å; C444-E487 VanDerWaalsContact CA-OE2 3.22Å; C444-E487 WeakPolarHBondContact CA-OE2 3.21Å; C444-E487 WeakPolarHBondContact CB-OE1 3.32Å; C444-E487 WeakPolarHBondContact CB-OE2 3.26Å; C444-E487 PolarHBondContact N-OE2 3.09Å; C444-E487 PolarHBondContact SG-OE1 3.36Å; P476-E487 CarbonylContact C-O 3.57Å; P476-E487 WeakPolarHBondContact CA-O 3.35Å; V477-E487 PolarHBondContact N-O 3.43Å; V477-E487 PolarHBondContact O-N 3.25Å; M479-E487 HydrophobicContact CB-CG 4.11Å; M479-E487 HydrophobicContact CG-CB 4.1Å; M479-E487 HydrophobicContact CG-CG 3.46Å; M479-E487 VanDerWaalsContact CG-CG 3.46Å; F480-E487 HydrophobicContact CE2-CG 4.34Å
488L96.5Very high96.7Very high1 Ų118.4 Ų18.41%0.0059%0.086CC..EExtended strand (participates in β ladder)trans-114.9119.2174.2-178.158.9000109.5F114 S443 R446 A474 P476 Y486 L490F114-L488 HydrophobicContact CD1-CD2 3.96Å; F114-L488 HydrophobicContact CE1-CD2 3.74Å; S443-L488 PolarHBondContact N-O 3.02Å; S443-L488 PolarHBondContact O-N 2.62Å; R446-L488 HydrophobicContact CB-CD2 4.42Å; A474-L488 HydrophobicContact CB-CD1 4.33Å; P476-L488 HydrophobicContact CB-CD1 4.46Å; Y486-L488 HydrophobicContact CE2-CB 4.35Å; L488-L490 HydrophobicContact CD1-CD2 4.33Å; L488-L490 HydrophobicContact CD2-CD1 4.37Å; L488-L490 HydrophobicContact CD2-CD2 4.05Å; L488-L490 HydrophobicContact CD2-CG 4.29Å; L488-L490 HydrophobicContact CG-CD2 4Å; L488-L490 HydrophobicContact CG-CG 4.07Å
489L97.8Very high96.6Very high0 Ų019.5 Ų19.50%09%0.091CC..EExtended strand (participates in β ladder)trans-90.7130.2169.3-60.2178.6000109.5L324 A327 I328 L331 V440 Y441 V442 A474 I475 V477L324-L489 HydrophobicContact CD1-CD1 4Å; L324-L489 HydrophobicContact CD1-CD2 3.65Å; L324-L489 HydrophobicContact CD1-CG 3.81Å; L324-L489 HydrophobicContact CG-CD2 4.48Å; A327-L489 HydrophobicContact CB-CD1 3.56Å; I328-L489 HydrophobicContact CD1-CD2 4.11Å; I328-L489 HydrophobicContact CG1-CD1 3.79Å; I328-L489 HydrophobicContact CG1-CD2 3.66Å; I328-L489 HydrophobicContact CG1-CG 4.39Å; L331-L489 HydrophobicContact CD1-CB 3.97Å; L331-L489 HydrophobicContact CD1-CD1 4.37Å; V440-L489 HydrophobicContact CG1-CD2 4.38Å; Y441-L489 WeakPolarHBondContact O-CA 3.45Å; V442-L489 HydrophobicContact CB-CD2 4.17Å; V442-L489 HydrophobicContact CG1-CD2 4.13Å; V442-L489 HydrophobicContact CG2-CD2 3.64Å; A474-L489 CarbonylContact C-O 3.48Å; A474-L489 VanDerWaalsContact CA-O 3.27Å; A474-L489 WeakPolarHBondContact CA-O 3.28Å; I475-L489 HydrophobicContact CB-CB 4.22Å; I475-L489 PolarHBondContact N-O 2.88Å; I475-L489 PolarHBondContact O-N 3.45Å; V477-L489 HydrophobicContact CG2-CD1 4.34Å
490L97.3Very high96.6Very high2 Ų220.8 Ų20.81%0.0110%0.097CC..EExtended strand (participates in β ladder)trans-124.9123.1175.7-61.9169.3000109.6L115 V440 Y441 F453 L471 N473 A474 L488 F492L115-L490 HydrophobicContact CD2-CD2 4.14Å; V440-L490 CarbonylContact C-O 3.58Å; V440-L490 WeakPolarHBondContact CA-O 3.43Å; Y441-L490 PolarHBondContact N-O 2.96Å; Y441-L490 PolarHBondContact O-N 2.83Å; F453-L490 HydrophobicContact CD1-CD1 3.8Å; F453-L490 HydrophobicContact CD2-CD1 3.69Å; F453-L490 HydrophobicContact CE1-CD1 3.66Å; F453-L490 HydrophobicContact CE2-CD1 3.53Å; F453-L490 HydrophobicContact CG-CD1 3.84Å; F453-L490 HydrophobicContact CZ-CD1 3.52Å; L471-L490 HydrophobicContact CD1-CB 3.87Å; L471-L490 HydrophobicContact CD1-CD2 3.76Å; L471-L490 HydrophobicContact CD1-CG 4.32Å; L471-L490 HydrophobicContact CD2-CD2 4.35Å; N473-L490 WeakPolarHBondContact O-CA 3.35Å; A474-L490 HydrophobicContact CB-CD2 3.65Å; L488-L490 HydrophobicContact CD1-CD2 4.33Å; L488-L490 HydrophobicContact CD2-CD1 4.37Å; L488-L490 HydrophobicContact CD2-CD2 4.05Å; L488-L490 HydrophobicContact CD2-CG 4.29Å; L488-L490 HydrophobicContact CG-CD2 4Å; L488-L490 HydrophobicContact CG-CG 4.07Å; L490-F492 HydrophobicContact CB-CD2 4.11Å; L490-F492 HydrophobicContact CB-CE2 3.48Å; L490-F492 VanDerWaalsContact CB-CE2 3.48Å; L490-F492 HydrophobicContact CB-CZ 4.08Å; L490-F492 HydrophobicContact CD1-CE2 4.05Å; L490-F492 HydrophobicContact CD1-CZ 4.08Å; L490-F492 HydrophobicContact CG-CE2 4.4Å
491L98.2Very high96.6Very high6 Ų621.7 Ų21.73%0.03110%0.102CC..EExtended strand (participates in β ladder)trans-93.9123.6171.7178.563.2000109.6L331 F438 V440 K472 N473L331-L491 HydrophobicContact CD1-CB 4.37Å; L331-L491 HydrophobicContact CD2-CB 4.13Å; L331-L491 HydrophobicContact CD2-CD2 4.23Å; F438-L491 HydrophobicContact CB-CD1 4.46Å; V440-L491 HydrophobicContact CG2-CD1 3.9Å; K472-L491 HydrophobicContact CB-CD2 4.46Å; K472-L491 HydrophobicContact CB-CG 4.42Å; K472-L491 PolarHBondContact N-O 3.47Å; N473-L491 HydrophobicContact CB-CB 4.03Å; N473-L491 PolarHBondContact N-O 3.27Å; N473-L491 PolarHBondContact O-N 3.05Å
492F97.8Very high96.5Very high0 Ų023.3 Ų23.30%011%0.109CC..EExtended strand (participates in β ladder)trans-112.1125.7177.6-71.3-82000111.2F438 L439 F453 L456 F469 S470 L471 L490F438-F492 CarbonylContact C-O 3.59Å; F438-F492 WeakPolarHBondContact CA-O 3.23Å; L439-F492 HydrophobicContact CB-CB 4.21Å; L439-F492 PolarHBondContact N-O 2.98Å; L439-F492 PolarHBondContact O-N 3.32Å; F453-F492 HydrophobicContact CB-CZ 4.02Å; F453-F492 HydrophobicContact CD1-CE2 4.29Å; F453-F492 HydrophobicContact CD1-CZ 4.1Å; F453-F492 HydrophobicContact CG-CZ 4.25Å; L456-F492 HydrophobicContact CD1-CD2 4.41Å; L456-F492 HydrophobicContact CD1-CE2 4.25Å; L456-F492 HydrophobicContact CD1-CZ 4.45Å; F469-F492 HydrophobicContact CB-CB 3.94Å; F469-F492 HydrophobicContact CB-CD1 4.09Å; F469-F492 HydrophobicContact CB-CG 4.39Å; F469-F492 HydrophobicContact CD1-CB 3.65Å; F469-F492 HydrophobicContact CE1-CB 4.42Å; F469-F492 HydrophobicContact CG-CB 4.08Å; S470-F492 CarbonylContact O-C 3.53Å; S470-F492 WeakPolarHBondContact O-CA 3.44Å; L471-F492 HydrophobicContact CB-CD1 4.17Å; L471-F492 HydrophobicContact CB-CE1 3.89Å; L471-F492 HydrophobicContact CD1-CD1 4.24Å; L471-F492 HydrophobicContact CD1-CE1 3.87Å; L471-F492 HydrophobicContact CD1-CE2 4.35Å; L471-F492 HydrophobicContact CD1-CZ 3.93Å; L471-F492 HydrophobicContact CG-CE1 4.42Å; L490-F492 HydrophobicContact CB-CD2 4.11Å; L490-F492 HydrophobicContact CB-CE2 3.48Å; L490-F492 VanDerWaalsContact CB-CE2 3.48Å; L490-F492 HydrophobicContact CB-CZ 4.08Å; L490-F492 HydrophobicContact CD1-CE2 4.05Å; L490-F492 HydrophobicContact CD1-CZ 4.08Å; L490-F492 HydrophobicContact CG-CE2 4.4Å
493E97.3Very high96.4Very high51 Ų5124.3 Ų24.324%0.23811%0.113CC..EExtended strand (participates in β ladder)trans-90.8114.5170.3164.7-99.6-160.400115.5R437 F438 F469 S470 K472R437-E493 VanDerWaalsContact CZ-CG 3.4Å; R437-E493 IonicContact CZ-OE1 3Å; R437-E493 IonicContact NH2-OE1 2.88Å; R437-E493 PolarHBondContact NH2-OE1 3.14Å; F438-E493 HydrophobicContact CD1-CB 3.34Å; F438-E493 HydrophobicContact CD1-CG 3.69Å; F438-E493 HydrophobicContact CE1-CB 3.68Å; F438-E493 HydrophobicContact CE1-CG 3.46Å; F438-E493 VanDerWaalsContact CE1-CG 3.46Å; F438-E493 HydrophobicContact CG-CB 4.28Å; F438-E493 HydrophobicContact CZ-CG 4.32Å; F469-E493 CarbonylContact C-O 3.54Å; F469-E493 WeakPolarHBondContact CA-O 3.44Å; S470-E493 WeakPolarHBondContact CB-O 3.34Å; S470-E493 PolarHBondContact N-O 3.19Å; S470-E493 PolarHBondContact O-N 3.17Å; K472-E493 WeakPolarHBondContact CE-OE2 3.49Å; K472-E493 HydrophobicContact CG-CB 4.47Å
494K93.8Very high96.4Very high53 Ų5325.7 Ų25.723%0.2312%0.119CC..  trans-60.20165.2-76.3-172.4-174.8178.90115.7L430 R431 C433 L436 R437 P468 F469L430-K494 WeakPolarHBondContact O-CE 3.18Å; L430-K494 PolarHBondContact O-NZ 3.04Å; R431-K494 PolarHBondContact O-NZ 3.45Å; C433-K494 PolarHBondContact O-NZ 3.44Å; L436-K494 VanDerWaalsContact O-CD 3.24Å; L436-K494 WeakPolarHBondContact O-CD 3.44Å; L436-K494 WeakPolarHBondContact O-CE 3.48Å; L436-K494 PolarHBondContact O-NZ 3.07Å; R437-K494 PolarHBondContact NH1-O 2.87Å; R437-K494 PolarHBondContact NH2-O 3.22Å; R437-K494 PolarHBondContact O-N 3.4Å; P468-K494 WeakPolarHBondContact O-CA 3.05Å; F469-K494 HydrophobicContact CD1-CB 4.41Å; F469-K494 HydrophobicContact CD1-CG 3.52Å; F469-K494 HydrophobicContact CD2-CG 4.04Å; F469-K494 HydrophobicContact CE1-CD 4.22Å; F469-K494 HydrophobicContact CE1-CG 3.46Å; F469-K494 VanDerWaalsContact CE1-CG 3.46Å; F469-K494 HydrophobicContact CE2-CD 4.29Å; F469-K494 HydrophobicContact CE2-CG 3.97Å; F469-K494 HydrophobicContact CG-CG 3.85Å; F469-K494 HydrophobicContact CZ-CD 4.04Å; F469-K494 HydrophobicContact CZ-CG 3.71Å

Retrieved 494 of 494 residues in 537.3 ms (Link to these results)

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