A0A077ZAN8_TRITR Loading...

TWiK family of potassium channels protein 7

AlphaFold DB , UniProt , Accession A0A077ZAN8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 460 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
1M37.8Very low49.7Very low200 Ų200107.5 Ų107.599%0.98552%0.523SS*.  091.80-69.4179-174.800108.8L3M1-L3 PolarHBondContact O-N 3.45Å
2K32Very low50.6Low194 Ų194107.3 Ų107.384%0.84352%0.52SS*.  trans-80.5113.4163.9-85-173.4174.2-178.40107T118K2-T118 WeakPolarHBondContact O-CG2 3.47Å
3L42.3Very low51.6Low118 Ų118104.9 Ų104.962%0.61851%0.511SS*.PPolyproline II helixtrans-59.3147.4177.3-73.8131.8000109.8M1M1-L3 PolarHBondContact O-N 3.45Å
4E48.4Very low52.7Low74 Ų74106.2 Ų106.235%0.34652%0.516SS..PPolyproline II helixtrans-51155.2169.4-128.6171.1-169.500111
5E53.3Low53.6Low145 Ų145101.5 Ų101.568%0.67850%0.496SS*.PPolyproline II helixtrans-59.2130.5174.9-70.7-175.7173.200109.7H7 V8 R9E5-H7 PolarHBondContact O-N 3.48Å; E5-V8 PolarHBondContact O-N 3.5Å; E5-R9 PolarHBondContact O-N 2.92Å
6P53.2Low54.4Low75 Ų7597.7 Ų97.749%0.48749%0.491SS..Hα-helixtrans-57-26.4-170.318.5-30.7000113.6Q10P6-Q10 WeakPolarHBondContact O-CB 3.43Å; P6-Q10 WeakPolarHBondContact O-CG 3.37Å; P6-Q10 PolarHBondContact O-N 2.73Å
7H52.7Low55.3Low108 Ų10899 Ų9950%0.550%0.498SS..Hα-helixtrans-60.4-48.1174165.149.7000112.9E5 R9 Q10 L11E5-H7 PolarHBondContact O-N 3.48Å; H7-R9 VanDerWaalsContact C-N 3.32Å; H7-R9 PolarHBondContact O-N 2.81Å; H7-Q10 PolarHBondContact O-N 3.03Å; H7-L11 WeakPolarHBondContact O-CB 3.31Å; H7-L11 PolarHBondContact O-N 3.13Å
8V55.6Low56Low48 Ų4898.3 Ų98.329%0.29149%0.493SS..Hα-helixtrans-67.8-37.1-177.1-179.10000110.6E5 L11 H12E5-V8 PolarHBondContact O-N 3.5Å; V8-L11 PolarHBondContact O-N 3Å; V8-H12 PolarHBondContact O-N 3.45Å; V8-H12 PolarHBondContact O-ND1 3.45Å; V8-H12 VanDerWaalsContact O-ND1 3.1Å
9R52.6Low56.8Low58 Ų5895.3 Ų95.322%0.21948%0.48CS..Hα-helixtrans-66.4-46.2174.9-168.6-178.1-174.3-175.76.5112E5 H7 L11 H12 N13 E92E5-R9 PolarHBondContact O-N 2.92Å; H7-R9 VanDerWaalsContact C-N 3.32Å; H7-R9 PolarHBondContact O-N 2.81Å; R9-L11 VanDerWaalsContact C-N 3.28Å; R9-L11 PolarHBondContact O-N 3.25Å; R9-H12 PolarHBondContact O-N 3.01Å; R9-N13 WeakPolarHBondContact O-CB 3.48Å; R9-N13 VanDerWaalsContact O-CG 3.29Å; R9-N13 PolarHBondContact O-N 3.01Å; R9-E92 IonicContact CZ-OE1 3.76Å; R9-E92 IonicContact CZ-OE2 3.45Å; R9-E92 IonicContact NE-OE1 2.61Å; R9-E92 IonicContact NE-OE2 3.19Å; R9-E92 IonicContact NH2-OE1 3.54Å; R9-E92 PolarHBondContact NH2-OE1 3.18Å; R9-E92 VanDerWaalsContact NH2-OE1 3.09Å; R9-E92 IonicContact NH2-OE2 2.9Å; R9-E92 PolarHBondContact NH2-OE2 3.49Å
10Q59.2Low57.6Low116 Ų11694.8 Ų94.854%0.54248%0.476SS..Hα-helixtrans-60.3-39.9175-82.6-176.9-2200111.6P6 H7 Q14P6-Q10 WeakPolarHBondContact O-CB 3.43Å; P6-Q10 WeakPolarHBondContact O-CG 3.37Å; P6-Q10 PolarHBondContact O-N 2.73Å; H7-Q10 PolarHBondContact O-N 3.03Å; Q10-Q14 VanDerWaalsContact O-CB 3.29Å; Q10-Q14 WeakPolarHBondContact O-CB 3.18Å; Q10-Q14 VanDerWaalsContact O-CG 3.25Å; Q10-Q14 WeakPolarHBondContact O-CG 3.35Å; Q10-Q14 PolarHBondContact O-N 3.45Å
11L60.1Low58.3Low46 Ų4692.4 Ų92.424%0.24147%0.471CS..Hα-helixtrans-66.9-47.5179.9-147.3109.6000111.7H7 V8 R9 N13 Q14 V15 E65H7-L11 WeakPolarHBondContact O-CB 3.31Å; H7-L11 PolarHBondContact O-N 3.13Å; V8-L11 PolarHBondContact O-N 3Å; R9-L11 VanDerWaalsContact C-N 3.28Å; R9-L11 PolarHBondContact O-N 3.25Å; L11-N13 PolarHBondContact O-N 3.18Å; L11-Q14 PolarHBondContact O-N 2.99Å; L11-V15 VanDerWaalsContact O-CG2 3.29Å; L11-V15 WeakPolarHBondContact O-CG2 3.37Å; L11-V15 PolarHBondContact O-N 3.25Å; L11-E65 HydrophobicContact CD2-CG 4.22Å; L11-E65 WeakPolarHBondContact CD2-OE1 3.35Å
12H59.7Low60Low106 Ų10684.2 Ų84.249%0.49143%0.432SS..Hα-helixtrans-60.1-45.5175.4-85.592.2000111.9V8 R9 Q14 V15 G16V8-H12 PolarHBondContact O-N 3.45Å; V8-H12 PolarHBondContact O-ND1 3.45Å; V8-H12 VanDerWaalsContact O-ND1 3.1Å; R9-H12 PolarHBondContact O-N 3.01Å; H12-Q14 PolarHBondContact O-N 3.37Å; H12-V15 PolarHBondContact O-N 2.94Å; H12-G16 PolarHBondContact O-N 2.87Å
13N64Low62Low76 Ų7678 Ų7841%0.40640%0.404SS..Hα-helixtrans-62.5-42.8177-73.3-0000111.2R9 L11 V15 G16 I17R9-N13 WeakPolarHBondContact O-CB 3.48Å; R9-N13 VanDerWaalsContact O-CG 3.29Å; R9-N13 PolarHBondContact O-N 3.01Å; L11-N13 PolarHBondContact O-N 3.18Å; N13-V15 PolarHBondContact O-N 2.96Å; N13-G16 PolarHBondContact O-N 3.18Å; N13-I17 WeakPolarHBondContact O-CB 3.41Å; N13-I17 WeakPolarHBondContact O-CD1 3.43Å; N13-I17 WeakPolarHBondContact O-CG1 3.44Å; N13-I17 PolarHBondContact O-N 3.38Å
14Q67.2Low63.6Low123 Ų12376.2 Ų76.258%0.57540%0.396SS*.Hα-helixtrans-63.7-38.5175.8-80-178.1-7.400112.8Q10 L11 H12 Q18Q10-Q14 VanDerWaalsContact O-CB 3.29Å; Q10-Q14 WeakPolarHBondContact O-CB 3.18Å; Q10-Q14 VanDerWaalsContact O-CG 3.25Å; Q10-Q14 WeakPolarHBondContact O-CG 3.35Å; Q10-Q14 PolarHBondContact O-N 3.45Å; L11-Q14 PolarHBondContact O-N 2.99Å; H12-Q14 PolarHBondContact O-N 3.37Å; Q14-Q18 WeakPolarHBondContact O-CB 3.47Å; Q14-Q18 PolarHBondContact O-N 2.94Å
15V66.7Low65.1Low35 Ų3579.5 Ų79.521%0.21241%0.411CS..Hα-helixtrans-66.6-47.6175.3174.10000110.4L11 H12 N13 Q18 V19 K61L11-V15 VanDerWaalsContact O-CG2 3.29Å; L11-V15 WeakPolarHBondContact O-CG2 3.37Å; L11-V15 PolarHBondContact O-N 3.25Å; H12-V15 PolarHBondContact O-N 2.94Å; N13-V15 PolarHBondContact O-N 2.96Å; V15-Q18 PolarHBondContact O-N 3.41Å; V15-V19 HydrophobicContact CG1-CG2 4.33Å; V15-V19 VanDerWaalsContact O-CG2 3.3Å; V15-V19 WeakPolarHBondContact O-CG2 3.42Å; V15-V19 PolarHBondContact O-N 2.86Å; V15-K61 HydrophobicContact CG2-CD 3.89Å
16G66Low66.2Low41 Ų4173.9 Ų73.942%0.42338%0.384SS..Hα-helixtrans-59.3-46.8177.500000112.5H12 N13 Q18 V19 Q20H12-G16 PolarHBondContact O-N 2.87Å; N13-G16 PolarHBondContact O-N 3.18Å; G16-Q18 PolarHBondContact O-N 3.35Å; G16-V19 PolarHBondContact O-N 3.23Å; G16-Q20 WeakPolarHBondContact O-CB 3.35Å; G16-Q20 PolarHBondContact O-N 3.39Å
17I69Low67.1Low120 Ų12074 Ų7462%0.61538%0.381SS*.Hα-helixtrans-61.3-44.1176.8-68.3164.2000110.9N13 Q20 A21N13-I17 WeakPolarHBondContact O-CB 3.41Å; N13-I17 WeakPolarHBondContact O-CD1 3.43Å; N13-I17 WeakPolarHBondContact O-CG1 3.44Å; N13-I17 PolarHBondContact O-N 3.38Å; I17-Q20 PolarHBondContact O-N 2.85Å; I17-A21 WeakPolarHBondContact O-CB 3.49Å; I17-A21 PolarHBondContact O-N 2.97Å
18Q68.6Low68.3Low86 Ų8671.3 Ų71.340%0.40238%0.377SS..Hα-helixtrans-64.7-45.5178.7-173.664.844.100111.8Q14 V15 G16 Q20 A21 D22Q14-Q18 WeakPolarHBondContact O-CB 3.47Å; Q14-Q18 PolarHBondContact O-N 2.94Å; V15-Q18 PolarHBondContact O-N 3.41Å; G16-Q18 PolarHBondContact O-N 3.35Å; Q18-Q20 VanDerWaalsContact C-N 3.29Å; Q18-Q20 PolarHBondContact O-N 2.89Å; Q18-A21 PolarHBondContact O-N 3.48Å; Q18-D22 PolarHBondContact NE2-OD1 2.93Å; Q18-D22 WeakPolarHBondContact O-CB 3.37Å; Q18-D22 VanDerWaalsContact O-CG 3.25Å; Q18-D22 PolarHBondContact O-N 3.47Å
19V71.3Confident69.1Low41 Ų4174.9 Ų74.925%0.24839%0.385CS..Hα-helixtrans-62.5-40178.8170.40000110.7V15 G16 D22 K23 L54 F58V15-V19 HydrophobicContact CG1-CG2 4.33Å; V15-V19 VanDerWaalsContact O-CG2 3.3Å; V15-V19 WeakPolarHBondContact O-CG2 3.42Å; V15-V19 PolarHBondContact O-N 2.86Å; G16-V19 PolarHBondContact O-N 3.23Å; V19-D22 PolarHBondContact O-N 3.25Å; V19-K23 WeakPolarHBondContact O-CB 3.21Å; V19-K23 PolarHBondContact O-N 2.91Å; V19-L54 HydrophobicContact CG1-CD1 4.47Å; V19-F58 HydrophobicContact CG2-CZ 4.27Å
20Q71.5Confident70Confident85 Ų8575 Ų7540%0.39739%0.39SS..Hα-helixtrans-66.7-42.3176.4-174.758.327.300111.7G16 I17 Q18 K23 D24G16-Q20 WeakPolarHBondContact O-CB 3.35Å; G16-Q20 PolarHBondContact O-N 3.39Å; I17-Q20 PolarHBondContact O-N 2.85Å; Q18-Q20 VanDerWaalsContact C-N 3.29Å; Q18-Q20 PolarHBondContact O-N 2.89Å; Q20-K23 WeakPolarHBondContact O-CB 3.27Å; Q20-K23 PolarHBondContact O-N 3.5Å; Q20-D24 PolarHBondContact NE2-OD1 2.87Å; Q20-D24 VanDerWaalsContact NE2-OD1 3.11Å; Q20-D24 PolarHBondContact NE2-OD2 3.43Å; Q20-D24 WeakPolarHBondContact O-CB 3.21Å; Q20-D24 VanDerWaalsContact O-CG 3.26Å; Q20-D24 PolarHBondContact O-N 3.29Å
21A73.6Confident70.6Confident46 Ų4674.4 Ų74.438%0.3839%0.39SS..Hα-helixtrans-62.3-43.6175.200000112.2I17 Q18 K23 D24 Q25I17-A21 WeakPolarHBondContact O-CB 3.49Å; I17-A21 PolarHBondContact O-N 2.97Å; Q18-A21 PolarHBondContact O-N 3.48Å; A21-K23 VanDerWaalsContact C-N 3.33Å; A21-K23 PolarHBondContact O-N 3.08Å; A21-D24 PolarHBondContact O-N 3.35Å; A21-Q25 WeakPolarHBondContact O-CB 3.36Å; A21-Q25 PolarHBondContact O-N 2.86Å
22D73.8Confident71.3Confident28 Ų2877.2 Ų77.215%0.1540%0.402CS..Hα-helixtrans-62.7-41176.3-68.9-7.9000110.8Q18 V19 F26 Y50Q18-D22 PolarHBondContact NE2-OD1 2.93Å; Q18-D22 WeakPolarHBondContact O-CB 3.37Å; Q18-D22 VanDerWaalsContact O-CG 3.25Å; Q18-D22 PolarHBondContact O-N 3.47Å; V19-D22 PolarHBondContact O-N 3.25Å; D22-F26 WeakPolarHBondContact O-CB 3.42Å; D22-F26 PolarHBondContact O-N 3.45Å; D22-Y50 HydrophobicContact CB-CE2 4.28Å
23K73.1Confident71.7Confident63 Ų6373.7 Ų73.727%0.27439%0.386SS..Hα-helixtrans-62.4-46.6174.8179.9-174.1175.3-175.10111.6V19 Q20 A21 F26 L27V19-K23 WeakPolarHBondContact O-CB 3.21Å; V19-K23 PolarHBondContact O-N 2.91Å; Q20-K23 WeakPolarHBondContact O-CB 3.27Å; Q20-K23 PolarHBondContact O-N 3.5Å; A21-K23 VanDerWaalsContact C-N 3.33Å; A21-K23 PolarHBondContact O-N 3.08Å; K23-F26 PolarHBondContact O-N 3.25Å; K23-L27 HydrophobicContact CG-CD1 4.13Å; K23-L27 WeakPolarHBondContact O-CB 3.3Å; K23-L27 WeakPolarHBondContact O-CG 3.43Å; K23-L27 PolarHBondContact O-N 3.49Å
24D76.3Confident71.9Confident81 Ų8174.2 Ų74.243%0.43340%0.396SS..Hα-helixtrans-66.3-39.6-179.3-70.5-24000111.4Q20 A21 L27 A28Q20-D24 PolarHBondContact NE2-OD1 2.87Å; Q20-D24 VanDerWaalsContact NE2-OD1 3.11Å; Q20-D24 PolarHBondContact NE2-OD2 3.43Å; Q20-D24 WeakPolarHBondContact O-CB 3.21Å; Q20-D24 VanDerWaalsContact O-CG 3.26Å; Q20-D24 PolarHBondContact O-N 3.29Å; A21-D24 PolarHBondContact O-N 3.35Å; D24-L27 PolarHBondContact O-N 3.01Å; D24-A28 WeakPolarHBondContact O-CB 3.22Å; D24-A28 PolarHBondContact O-N 2.7Å
25Q79.1Confident72.1Confident142 Ų14278.8 Ų78.866%0.66441%0.408SS*.Hα-helixtrans-62.7-43.5173-175.9178.5-700111.7A21 A28 R29A21-Q25 WeakPolarHBondContact O-CB 3.36Å; A21-Q25 PolarHBondContact O-N 2.86Å; Q25-A28 PolarHBondContact O-N 2.89Å; Q25-R29 PolarHBondContact O-N 2.97Å
26F76Confident72.1Confident27 Ų2779.4 Ų79.412%0.11841%0.413CS..Hα-helixtrans-63.4-44.1176.7177.3-113.7000112.2D22 K23 R29 L30 F47 Y50D22-F26 WeakPolarHBondContact O-CB 3.42Å; D22-F26 PolarHBondContact O-N 3.45Å; K23-F26 PolarHBondContact O-N 3.25Å; F26-R29 PolarHBondContact O-N 3.04Å; F26-L30 HydrophobicContact CD1-CD1 4.06Å; F26-L30 HydrophobicContact CE1-CD1 3.36Å; F26-L30 HydrophobicContact CE1-CG 4.05Å; F26-L30 HydrophobicContact CE2-CD1 4.18Å; F26-L30 HydrophobicContact CE2-CD2 4.24Å; F26-L30 HydrophobicContact CE2-CG 3.98Å; F26-L30 HydrophobicContact CZ-CD1 3.42Å; F26-L30 VanDerWaalsContact CZ-CD1 3.42Å; F26-L30 HydrophobicContact CZ-CD2 4.02Å; F26-L30 HydrophobicContact CZ-CG 3.71Å; F26-L30 PolarHBondContact O-N 2.94Å; F26-F47 HydrophobicContact CE1-CD2 4.21Å; F26-F47 HydrophobicContact CE2-CB 4.46Å; F26-F47 HydrophobicContact CZ-CB 4.14Å; F26-F47 AromaticContact CZ-CD2 3.73Å; F26-F47 HydrophobicContact CZ-CD2 3.73Å; F26-F47 HydrophobicContact CZ-CG 4.43Å; F26-Y50 HydrophobicContact CB-CD2 3.5Å; F26-Y50 HydrophobicContact CB-CE2 3.72Å; F26-Y50 HydrophobicContact CB-CG 4.05Å; F26-Y50 HydrophobicContact CD1-CD1 4.03Å; F26-Y50 HydrophobicContact CD1-CD2 4.26Å; F26-Y50 HydrophobicContact CD1-CE1 4.22Å; F26-Y50 HydrophobicContact CD1-CE2 4.43Å; F26-Y50 HydrophobicContact CD1-CG 4.04Å; F26-Y50 HydrophobicContact CD2-CD1 4.37Å; F26-Y50 AromaticContact CD2-CD2 3.98Å; F26-Y50 HydrophobicContact CD2-CD2 3.98Å; F26-Y50 AromaticContact CD2-CG 3.69Å; F26-Y50 HydrophobicContact CD2-CG 3.69Å; F26-Y50 HydrophobicContact CE1-CD1 4.22Å; F26-Y50 HydrophobicContact CE1-CG 4.46Å; F26-Y50 HydrophobicContact CE2-CG 4.16Å; F26-Y50 HydrophobicContact CG-CD1 4.11Å; F26-Y50 AromaticContact CG-CD2 3.64Å; F26-Y50 HydrophobicContact CG-CD2 3.64Å; F26-Y50 HydrophobicContact CG-CE2 4.1Å; F26-Y50 AromaticContact CG-CG 3.64Å; F26-Y50 HydrophobicContact CG-CG 3.64Å; F26-Y50 HydrophobicContact CZ-CD1 4.49Å
27L73.8Confident72.1Confident79 Ų7983.8 Ų83.841%0.41444%0.438SS..Hα-helixtrans-62.5-43.1176.2-74.8170.8000112.1K23 D24 R29 L30 L31K23-L27 HydrophobicContact CG-CD1 4.13Å; K23-L27 WeakPolarHBondContact O-CB 3.3Å; K23-L27 WeakPolarHBondContact O-CG 3.43Å; K23-L27 PolarHBondContact O-N 3.49Å; D24-L27 PolarHBondContact O-N 3.01Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 3.21Å; L27-L30 PolarHBondContact O-N 3.43Å; L27-L31 WeakPolarHBondContact O-CB 3.46Å; L27-L31 WeakPolarHBondContact O-CG 3.42Å; L27-L31 PolarHBondContact O-N 3.18Å
28A76.6Confident71.5Confident50 Ų5086.3 Ų86.341%0.41344%0.44SS..Hα-helixtrans-58.4-42.8174.800000111.3D24 Q25 L31 E32D24-A28 WeakPolarHBondContact O-CB 3.22Å; D24-A28 PolarHBondContact O-N 2.7Å; Q25-A28 PolarHBondContact O-N 2.89Å; A28-L31 PolarHBondContact O-N 2.83Å; A28-E32 WeakPolarHBondContact O-CG 3.47Å; A28-E32 PolarHBondContact O-N 2.78Å
29R72.1Confident71.3Confident124 Ų12485.1 Ų85.147%0.46844%0.441SS..Hα-helixtrans-68.6-39.3179.1-159.962.8173.4177.3-1.8113.1Q25 F26 L27 L31 E32 L33Q25-R29 PolarHBondContact O-N 2.97Å; F26-R29 PolarHBondContact O-N 3.04Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 3.21Å; R29-L31 VanDerWaalsContact C-N 3.34Å; R29-E32 WeakPolarHBondContact CD-OE2 3.47Å; R29-E32 IonicContact CZ-OE2 3.53Å; R29-E32 IonicContact NE-OE2 2.82Å; R29-E32 IonicContact NH1-OE2 3.65Å; R29-E32 PolarHBondContact NH1-OE2 2.8Å; R29-E32 WeakPolarHBondContact O-CB 3.47Å; R29-E32 PolarHBondContact O-N 3.32Å; R29-L33 WeakPolarHBondContact O-CG 3.43Å; R29-L33 PolarHBondContact O-N 3.37Å
30L71.8Confident71.2Confident60 Ų6092.3 Ų92.331%0.31447%0.469SS..Hα-helixtrans-63.4-39.5172.7-77.8-178.1000112.2F26 L27 L33 S34F26-L30 HydrophobicContact CD1-CD1 4.06Å; F26-L30 HydrophobicContact CE1-CD1 3.36Å; F26-L30 HydrophobicContact CE1-CG 4.05Å; F26-L30 HydrophobicContact CE2-CD1 4.18Å; F26-L30 HydrophobicContact CE2-CD2 4.24Å; F26-L30 HydrophobicContact CE2-CG 3.98Å; F26-L30 HydrophobicContact CZ-CD1 3.42Å; F26-L30 VanDerWaalsContact CZ-CD1 3.42Å; F26-L30 HydrophobicContact CZ-CD2 4.02Å; F26-L30 HydrophobicContact CZ-CG 3.71Å; F26-L30 PolarHBondContact O-N 2.94Å; L27-L30 PolarHBondContact O-N 3.43Å; L30-L33 PolarHBondContact O-N 3.12Å; L30-S34 WeakPolarHBondContact O-CB 3.41Å; L30-S34 PolarHBondContact O-N 2.97Å
31L72.2Confident71.2Confident104 Ų10494.8 Ų94.855%0.54548%0.48SS..Hα-helixtrans-64.3-40.8175.6-74.1170.8000111.3L27 A28 R29 S34 R35L27-L31 WeakPolarHBondContact O-CB 3.46Å; L27-L31 WeakPolarHBondContact O-CG 3.42Å; L27-L31 PolarHBondContact O-N 3.18Å; A28-L31 PolarHBondContact O-N 2.83Å; R29-L31 VanDerWaalsContact C-N 3.34Å; L31-S34 PolarHBondContact O-N 3.22Å; L31-S34 PolarHBondContact O-OG 3.48Å; L31-R35 WeakPolarHBondContact O-CG 3.49Å; L31-R35 PolarHBondContact O-N 3.41Å
32E74.8Confident71.3Confident105 Ų10595.9 Ų95.949%0.49148%0.477SS..Hα-helixtrans-60.5-46.8172.5-73.8178.7172.300112A28 R29 S34 R35 S36A28-E32 WeakPolarHBondContact O-CG 3.47Å; A28-E32 PolarHBondContact O-N 2.78Å; R29-E32 WeakPolarHBondContact CD-OE2 3.47Å; R29-E32 IonicContact CZ-OE2 3.53Å; R29-E32 IonicContact NE-OE2 2.82Å; R29-E32 IonicContact NH1-OE2 3.65Å; R29-E32 PolarHBondContact NH1-OE2 2.8Å; R29-E32 WeakPolarHBondContact O-CB 3.47Å; R29-E32 PolarHBondContact O-N 3.32Å; E32-S34 VanDerWaalsContact C-N 3.32Å; E32-S34 PolarHBondContact O-N 2.82Å; E32-R35 PolarHBondContact O-N 2.98Å; E32-S36 PolarHBondContact O-N 3.24Å
33L69Low71.3Confident31 Ų3195.6 Ų95.616%0.16248%0.481CS..Hα-helixtrans-61.5-40.5176.9-73.9174.2000111.9R29 L30 R35 S36 E42 E46R29-L33 WeakPolarHBondContact O-CG 3.43Å; R29-L33 PolarHBondContact O-N 3.37Å; L30-L33 PolarHBondContact O-N 3.12Å; L33-R35 PolarHBondContact O-N 3.37Å; L33-S36 PolarHBondContact O-N 3.31Å; L33-S36 VanDerWaalsContact O-O 3.04Å; L33-S36 PolarHBondContact O-OG 3.23Å; L33-E42 HydrophobicContact CD2-CB 4.2Å; L33-E46 HydrophobicContact CD1-CB 4.31Å; L33-E46 HydrophobicContact CD1-CG 3.93Å
34S66.9Low71.3Confident88 Ų8897.9 Ų97.962%0.61549%0.492SS*.Hα-helixtrans-63.2-28.5178.179.90000113.5L30 L31 E32L30-S34 WeakPolarHBondContact O-CB 3.41Å; L30-S34 PolarHBondContact O-N 2.97Å; L31-S34 PolarHBondContact O-N 3.22Å; L31-S34 PolarHBondContact O-OG 3.48Å; E32-S34 VanDerWaalsContact C-N 3.32Å; E32-S34 PolarHBondContact O-N 2.82Å
35R71.7Confident71.4Confident219 Ų21998.7 Ų98.783%0.82650%0.496SS*.Hα-helixtrans-81.3-22.8176-71.2176.8179.9-179.31.9112.3L31 E32 L33L31-R35 WeakPolarHBondContact O-CG 3.49Å; L31-R35 PolarHBondContact O-N 3.41Å; E32-R35 PolarHBondContact O-N 2.98Å; L33-R35 PolarHBondContact O-N 3.37Å
36S67.7Low71.3Confident47 Ų4794.9 Ų94.933%0.32948%0.478SS..SBendtrans-83.3145.4176.183.90000110.3E32 L33 R38E32-S36 PolarHBondContact O-N 3.24Å; L33-S36 PolarHBondContact O-N 3.31Å; L33-S36 VanDerWaalsContact O-O 3.04Å; L33-S36 PolarHBondContact O-OG 3.23Å; S36-R38 PolarHBondContact O-N 2.67Å
37S64.8Low71.3Confident133 Ų13398.9 Ų98.993%0.9350%0.496SS*.  trans-7412.317682.20000113.4
38R56.4Low71.3Confident174 Ų174102.9 Ų102.966%0.65751%0.505SS*.  trans-93.7137.9-169.4-86.7-171.9174.3-170.21.7112.8S36 E42S36-R38 PolarHBondContact O-N 2.67Å; R38-E42 WeakPolarHBondContact CB-OE2 3.46Å; R38-E42 IonicContact NH1-OE1 3.09Å; R38-E42 PolarHBondContact NH1-OE1 2.95Å
39S64.4Low71.5Confident61 Ų61103 Ų10343%0.42750%0.499SS..  trans-23.7138.2-177-1740000118.1E41 E42S39-E41 PolarHBondContact O-N 3.06Å; S39-E41 PolarHBondContact OG-N 3.2Å; S39-E41 VanDerWaalsContact OG-N 3.13Å; S39-E41 PolarHBondContact OG-OE2 3.2Å; S39-E42 PolarHBondContact O-N 2.86Å
40K68.9Low71.6Confident192 Ų19299.2 Ų99.284%0.83549%0.485SS*.Hα-helixtrans-42.1-29.1162-171.3179.4177.9-176.60114.1E44K40-E44 PolarHBondContact O-N 3.03Å
41E72.7Confident71.8Confident136 Ų13698.4 Ų98.464%0.63648%0.482SS*.Hα-helixtrans-67.5-39.3177.2-80.8170.8139.800113.9S39 G43 E44 I45S39-E41 PolarHBondContact O-N 3.06Å; S39-E41 PolarHBondContact OG-N 3.2Å; S39-E41 VanDerWaalsContact OG-N 3.13Å; S39-E41 PolarHBondContact OG-OE2 3.2Å; E41-G43 VanDerWaalsContact C-N 3.31Å; E41-G43 PolarHBondContact O-N 3.32Å; E41-E44 PolarHBondContact O-N 3.29Å; E41-I45 WeakPolarHBondContact O-CG1 3.41Å; E41-I45 PolarHBondContact O-N 3.19Å
42E76.1Confident72Confident70 Ų70100.6 Ų100.633%0.32748%0.483SS..Hα-helixtrans-65-39.7179.6-74.3-178.5174.300110.4L33 R38 S39 E44 I45 E46L33-E42 HydrophobicContact CD2-CB 4.2Å; R38-E42 WeakPolarHBondContact CB-OE2 3.46Å; R38-E42 IonicContact NH1-OE1 3.09Å; R38-E42 PolarHBondContact NH1-OE1 2.95Å; S39-E42 PolarHBondContact O-N 2.86Å; E42-E44 VanDerWaalsContact C-N 3.33Å; E42-E44 PolarHBondContact O-N 3.42Å; E42-I45 PolarHBondContact O-N 3.37Å; E42-E46 PolarHBondContact O-N 3.34Å
43G72.9Confident72.1Confident21 Ų21100.6 Ų100.622%0.21649%0.487CS..Hα-helixtrans-63.2-35.7173.500000113.5E41 F47E41-G43 VanDerWaalsContact C-N 3.31Å; E41-G43 PolarHBondContact O-N 3.32Å; G43-F47 WeakPolarHBondContact O-CB 3.42Å; G43-F47 PolarHBondContact O-N 3.4Å
44E73.7Confident72.1Confident112 Ų112101 Ų10152%0.52349%0.489SS..Hα-helixtrans-70.7-39.1176.9-163-179.4162.600112.1K40 E41 E42 F47 R48K40-E44 PolarHBondContact O-N 3.03Å; E41-E44 PolarHBondContact O-N 3.29Å; E42-E44 VanDerWaalsContact C-N 3.33Å; E42-E44 PolarHBondContact O-N 3.42Å; E44-F47 PolarHBondContact O-N 3.22Å; E44-R48 PolarHBondContact O-N 3Å
45I78.1Confident72.2Confident98 Ų98104.8 Ų104.850%0.50349%0.491SS..Hα-helixtrans-63.7-45.5174.9-67166.6000110.6E41 E42 R48 N49E41-I45 WeakPolarHBondContact O-CG1 3.41Å; E41-I45 PolarHBondContact O-N 3.19Å; E42-I45 PolarHBondContact O-N 3.37Å; I45-R48 WeakPolarHBondContact O-CB 3.35Å; I45-R48 PolarHBondContact O-N 2.7Å; I45-N49 PolarHBondContact O-N 3.32Å; I45-N49 PolarHBondContact O-ND2 2.89Å
46E76.2Confident72.1Confident61 Ų6195.6 Ų95.629%0.28547%0.465SS..Hα-helixtrans-62.9-43.7176.9-77.5-65.9177.700111.9L33 E42 R48 N49 Y50L33-E46 HydrophobicContact CD1-CB 4.31Å; L33-E46 HydrophobicContact CD1-CG 3.93Å; E42-E46 PolarHBondContact O-N 3.34Å; E46-R48 VanDerWaalsContact C-N 3.31Å; E46-R48 PolarHBondContact O-N 2.94Å; E46-N49 PolarHBondContact O-N 3.34Å; E46-Y50 WeakPolarHBondContact O-CB 3.36Å; E46-Y50 PolarHBondContact O-N 2.92Å
47F75.7Confident72.1Confident112 Ų11295.2 Ų95.249%0.49146%0.46SS..Hα-helixtrans-59.2-42.4174.4-179.7-103.5000111.7F26 G43 E44 N49 Y50 V51F26-F47 HydrophobicContact CE1-CD2 4.21Å; F26-F47 HydrophobicContact CE2-CB 4.46Å; F26-F47 HydrophobicContact CZ-CB 4.14Å; F26-F47 AromaticContact CZ-CD2 3.73Å; F26-F47 HydrophobicContact CZ-CD2 3.73Å; F26-F47 HydrophobicContact CZ-CG 4.43Å; G43-F47 WeakPolarHBondContact O-CB 3.42Å; G43-F47 PolarHBondContact O-N 3.4Å; E44-F47 PolarHBondContact O-N 3.22Å; F47-N49 PolarHBondContact O-N 3.43Å; F47-Y50 PolarHBondContact O-N 2.97Å; F47-V51 HydrophobicContact CD1-CG2 4.28Å; F47-V51 HydrophobicContact CD2-CG2 4.44Å; F47-V51 HydrophobicContact CE1-CG2 3.89Å; F47-V51 HydrophobicContact CE2-CG2 4.08Å; F47-V51 HydrophobicContact CZ-CG2 3.78Å; F47-V51 WeakPolarHBondContact O-CB 3.49Å; F47-V51 VanDerWaalsContact O-CG2 3.27Å; F47-V51 WeakPolarHBondContact O-CG2 3.34Å; F47-V51 PolarHBondContact O-N 3.47Å
48R75.7Confident72.1Confident162 Ų16294.4 Ų94.461%0.61144%0.44SS*.Hα-helixtrans-61.2-42.6174.7-110-175.7-150.7-127.14.5112.8E44 I45 E46 R52E44-R48 PolarHBondContact O-N 3Å; I45-R48 WeakPolarHBondContact O-CB 3.35Å; I45-R48 PolarHBondContact O-N 2.7Å; E46-R48 VanDerWaalsContact C-N 3.31Å; E46-R48 PolarHBondContact O-N 2.94Å; R48-R52 WeakPolarHBondContact O-CB 3.3Å; R48-R52 PolarHBondContact O-N 3.05Å
49N79.3Confident72.5Confident53 Ų5392.7 Ų92.728%0.28344%0.44SS..Hα-helixtrans-67.8-41.5179.4-72.4-21.4000111.2I45 E46 F47 R52 N53I45-N49 PolarHBondContact O-N 3.32Å; I45-N49 PolarHBondContact O-ND2 2.89Å; E46-N49 PolarHBondContact O-N 3.34Å; F47-N49 PolarHBondContact O-N 3.43Å; N49-R52 PolarHBondContact O-N 2.93Å; N49-R52 PolarHBondContact OD1-NH1 2.88Å; N49-N53 WeakPolarHBondContact O-CB 3.25Å; N49-N53 VanDerWaalsContact O-CG 3.26Å; N49-N53 PolarHBondContact O-N 3.41Å
50Y75.5Confident72.4Confident44 Ų4494 Ų9417%0.17345%0.445CS..Hα-helixtrans-58.4-51.2172.8173.7-104000111.5D22 F26 E46 F47 R52 N53 L54D22-Y50 HydrophobicContact CB-CE2 4.28Å; F26-Y50 HydrophobicContact CB-CD2 3.5Å; F26-Y50 HydrophobicContact CB-CE2 3.72Å; F26-Y50 HydrophobicContact CB-CG 4.05Å; F26-Y50 HydrophobicContact CD1-CD1 4.03Å; F26-Y50 HydrophobicContact CD1-CD2 4.26Å; F26-Y50 HydrophobicContact CD1-CE1 4.22Å; F26-Y50 HydrophobicContact CD1-CE2 4.43Å; F26-Y50 HydrophobicContact CD1-CG 4.04Å; F26-Y50 HydrophobicContact CD2-CD1 4.37Å; F26-Y50 AromaticContact CD2-CD2 3.98Å; F26-Y50 HydrophobicContact CD2-CD2 3.98Å; F26-Y50 AromaticContact CD2-CG 3.69Å; F26-Y50 HydrophobicContact CD2-CG 3.69Å; F26-Y50 HydrophobicContact CE1-CD1 4.22Å; F26-Y50 HydrophobicContact CE1-CG 4.46Å; F26-Y50 HydrophobicContact CE2-CG 4.16Å; F26-Y50 HydrophobicContact CG-CD1 4.11Å; F26-Y50 AromaticContact CG-CD2 3.64Å; F26-Y50 HydrophobicContact CG-CD2 3.64Å; F26-Y50 HydrophobicContact CG-CE2 4.1Å; F26-Y50 AromaticContact CG-CG 3.64Å; F26-Y50 HydrophobicContact CG-CG 3.64Å; F26-Y50 HydrophobicContact CZ-CD1 4.49Å; E46-Y50 WeakPolarHBondContact O-CB 3.36Å; E46-Y50 PolarHBondContact O-N 2.92Å; F47-Y50 PolarHBondContact O-N 2.97Å; Y50-R52 VanDerWaalsContact C-N 3.33Å; Y50-R52 PolarHBondContact O-N 3.29Å; Y50-N53 PolarHBondContact O-N 3.29Å; Y50-L54 HydrophobicContact CE1-CD2 4.5Å; Y50-L54 WeakPolarHBondContact O-CB 3.29Å; Y50-L54 PolarHBondContact O-N 2.95Å
51V74.3Confident71.9Confident44 Ų4488 Ų8827%0.26742%0.419SS..Hα-helixtrans-59.3-44.1178171.70000111F47 L54 Y55F47-V51 HydrophobicContact CD1-CG2 4.28Å; F47-V51 HydrophobicContact CD2-CG2 4.44Å; F47-V51 HydrophobicContact CE1-CG2 3.89Å; F47-V51 HydrophobicContact CE2-CG2 4.08Å; F47-V51 HydrophobicContact CZ-CG2 3.78Å; F47-V51 WeakPolarHBondContact O-CB 3.49Å; F47-V51 VanDerWaalsContact O-CG2 3.27Å; F47-V51 WeakPolarHBondContact O-CG2 3.34Å; F47-V51 PolarHBondContact O-N 3.47Å; V51-L54 PolarHBondContact O-N 2.91Å; V51-Y55 HydrophobicContact CG1-CD2 3.57Å; V51-Y55 HydrophobicContact CG1-CE2 3.5Å; V51-Y55 WeakPolarHBondContact O-CD2 3.45Å; V51-Y55 PolarHBondContact O-N 3.32Å
52R77.4Confident71.2Confident149 Ų14983.2 Ų83.256%0.56241%0.407SS*.Hα-helixtrans-61.6-44.8177.3-171.7-172.9-62.5127.11.8112.1R48 N49 Y50 Y55 G56R48-R52 WeakPolarHBondContact O-CB 3.3Å; R48-R52 PolarHBondContact O-N 3.05Å; N49-R52 PolarHBondContact O-N 2.93Å; N49-R52 PolarHBondContact OD1-NH1 2.88Å; Y50-R52 VanDerWaalsContact C-N 3.33Å; Y50-R52 PolarHBondContact O-N 3.29Å; R52-Y55 PolarHBondContact O-N 3.42Å; R52-G56 PolarHBondContact O-N 3.29Å
53N76.3Confident70Confident105 Ų10584.8 Ų84.856%0.56142%0.417SS*.Hα-helixtrans-64.8-42.3178-72.9-8.1000111.1N49 Y50 G56 T57N49-N53 WeakPolarHBondContact O-CB 3.25Å; N49-N53 VanDerWaalsContact O-CG 3.26Å; N49-N53 PolarHBondContact O-N 3.41Å; Y50-N53 PolarHBondContact O-N 3.29Å; N53-G56 PolarHBondContact O-N 3.02Å; N53-T57 PolarHBondContact O-N 3.49Å; N53-T57 PolarHBondContact O-OG1 3.39Å
54L70.1Confident69Low41 Ų4191.9 Ų91.922%0.21544%0.437CS..Hα-helixtrans-59.7-50.4177.6-161.778.6000110.9V19 Y50 V51 G56 T57 F58V19-L54 HydrophobicContact CG1-CD1 4.47Å; Y50-L54 HydrophobicContact CE1-CD2 4.5Å; Y50-L54 WeakPolarHBondContact O-CB 3.29Å; Y50-L54 PolarHBondContact O-N 2.95Å; V51-L54 PolarHBondContact O-N 2.91Å; L54-G56 PolarHBondContact O-N 3.47Å; L54-T57 PolarHBondContact O-N 2.92Å; L54-F58 HydrophobicContact CD1-CE2 4.34Å; L54-F58 HydrophobicContact CD2-CE2 4.43Å; L54-F58 HydrophobicContact CG-CD2 4.22Å; L54-F58 HydrophobicContact CG-CE2 3.97Å; L54-F58 WeakPolarHBondContact O-CD2 3.29Å; L54-F58 PolarHBondContact O-N 3.25Å; L54-F58 VanDerWaalsContact O-N 3.08Å
55Y68.9Low67.9Low166 Ų16691.1 Ų91.165%0.65143%0.433SS*.Hα-helixtrans-60.4-43.2175.3-83.4-68.2000112.3V51 R52 T57 F58 E59V51-Y55 HydrophobicContact CG1-CD2 3.57Å; V51-Y55 HydrophobicContact CG1-CE2 3.5Å; V51-Y55 WeakPolarHBondContact O-CD2 3.45Å; V51-Y55 PolarHBondContact O-N 3.32Å; R52-Y55 PolarHBondContact O-N 3.42Å; Y55-T57 VanDerWaalsContact C-N 3.34Å; Y55-T57 PolarHBondContact O-N 3.26Å; Y55-F58 PolarHBondContact O-N 3.48Å; Y55-E59 WeakPolarHBondContact O-CB 3.5Å; Y55-E59 PolarHBondContact O-N 2.91Å
56G69.3Low66.5Low27 Ų2796.2 Ų96.228%0.27845%0.446SS..Hα-helixtrans-61.3-39.1176.900000113.1R52 N53 L54 E59 T60R52-G56 PolarHBondContact O-N 3.29Å; N53-G56 PolarHBondContact O-N 3.02Å; L54-G56 PolarHBondContact O-N 3.47Å; G56-E59 PolarHBondContact O-N 3.27Å; G56-T60 WeakPolarHBondContact O-CB 3.48Å; G56-T60 VanDerWaalsContact O-CG2 3.31Å; G56-T60 WeakPolarHBondContact O-CG2 3.47Å; G56-T60 PolarHBondContact O-N 3.28Å; G56-T60 PolarHBondContact O-OG1 2.87Å
57T67.4Low65.2Low38 Ų3899.9 Ų99.923%0.23346%0.463CS..Hα-helixtrans-65.5-41.4175.3-59.30000111.7N53 L54 Y55 T60 K61N53-T57 PolarHBondContact O-N 3.49Å; N53-T57 PolarHBondContact O-OG1 3.39Å; L54-T57 PolarHBondContact O-N 2.92Å; Y55-T57 VanDerWaalsContact C-N 3.34Å; Y55-T57 PolarHBondContact O-N 3.26Å; T57-T60 PolarHBondContact O-OG1 2.89Å; T57-K61 HydrophobicContact CG2-CD 4.32Å; T57-K61 VanDerWaalsContact O-CB 3.3Å; T57-K61 WeakPolarHBondContact O-CB 3.5Å; T57-K61 WeakPolarHBondContact O-CG 3.32Å; T57-K61 PolarHBondContact O-N 3.42Å
58F64.7Low63.8Low116 Ų11699.1 Ų99.151%0.50947%0.465SS..Hα-helixtrans-67.7-40.5175.3-82.2-70.1000112.4V19 L54 Y55 G62V19-F58 HydrophobicContact CG2-CZ 4.27Å; L54-F58 HydrophobicContact CD1-CE2 4.34Å; L54-F58 HydrophobicContact CD2-CE2 4.43Å; L54-F58 HydrophobicContact CG-CD2 4.22Å; L54-F58 HydrophobicContact CG-CE2 3.97Å; L54-F58 WeakPolarHBondContact O-CD2 3.29Å; L54-F58 PolarHBondContact O-N 3.25Å; L54-F58 VanDerWaalsContact O-N 3.08Å; Y55-F58 PolarHBondContact O-N 3.48Å; F58-G62 PolarHBondContact O-N 2.89Å
59E65.1Low62.2Low138 Ų13898.5 Ų98.565%0.64547%0.473SS*.Hα-helixtrans-69.3-46.4-179.7-160.8173.1-157.500111.2Y55 G56 K61 G62 L63Y55-E59 WeakPolarHBondContact O-CB 3.5Å; Y55-E59 PolarHBondContact O-N 2.91Å; G56-E59 PolarHBondContact O-N 3.27Å; E59-K61 PolarHBondContact O-N 2.93Å; E59-G62 PolarHBondContact O-N 2.86Å; E59-L63 HydrophobicContact CG-CD1 4.46Å; E59-L63 WeakPolarHBondContact O-CB 3.45Å; E59-L63 WeakPolarHBondContact O-CD1 3.14Å; E59-L63 WeakPolarHBondContact O-CG 3.33Å; E59-L63 PolarHBondContact O-N 2.86Å
60T61.4Low60.2Low88 Ų88105.3 Ų105.354%0.5449%0.494SS..Hα-helixtrans-64.7-39.4176.751.20000112.7G56 T57 R64G56-T60 WeakPolarHBondContact O-CB 3.48Å; G56-T60 VanDerWaalsContact O-CG2 3.31Å; G56-T60 WeakPolarHBondContact O-CG2 3.47Å; G56-T60 PolarHBondContact O-N 3.28Å; G56-T60 PolarHBondContact O-OG1 2.87Å; T57-T60 PolarHBondContact O-OG1 2.89Å; T60-R64 WeakPolarHBondContact O-CB 3.34Å; T60-R64 PolarHBondContact O-N 3.11Å
61K58.8Low58.5Low66 Ų66109.5 Ų109.529%0.28753%0.527SS..Hα-helixtrans-75.7-37.5176.6-74-172.3179.1178.20113V15 T57 E59 L63 R64 E65V15-K61 HydrophobicContact CG2-CD 3.89Å; T57-K61 HydrophobicContact CG2-CD 4.32Å; T57-K61 VanDerWaalsContact O-CB 3.3Å; T57-K61 WeakPolarHBondContact O-CB 3.5Å; T57-K61 WeakPolarHBondContact O-CG 3.32Å; T57-K61 PolarHBondContact O-N 3.42Å; E59-K61 PolarHBondContact O-N 2.93Å; K61-L63 VanDerWaalsContact C-N 3.28Å; K61-L63 PolarHBondContact O-N 3.48Å; K61-R64 CarbonylContact O-C 3.55Å; K61-R64 PolarHBondContact O-N 2.94Å; K61-R64 VanDerWaalsContact O-N 3.12Å; K61-E65 PolarHBondContact O-N 3.1Å
62G57.5Low56.7Low37 Ų37111 Ų11138%0.38154%0.544SS..Hα-helixtrans-62.4-36.3172.500000112.1F58 E59 R66F58-G62 PolarHBondContact O-N 2.89Å; E59-G62 PolarHBondContact O-N 2.86Å; G62-R66 PolarHBondContact O-N 3.37Å
63L52Low54.7Low102 Ų102109.3 Ų109.353%0.53456%0.555SS.*Hα-helixtrans-67.3-42.3170.2-71.3169000111.8E59 K61 R66 E67E59-L63 HydrophobicContact CG-CD1 4.46Å; E59-L63 WeakPolarHBondContact O-CB 3.45Å; E59-L63 WeakPolarHBondContact O-CD1 3.14Å; E59-L63 WeakPolarHBondContact O-CG 3.33Å; E59-L63 PolarHBondContact O-N 2.86Å; K61-L63 VanDerWaalsContact C-N 3.28Å; K61-L63 PolarHBondContact O-N 3.48Å; L63-R66 WeakPolarHBondContact O-CB 3.33Å; L63-R66 PolarHBondContact O-N 2.86Å; L63-E67 PolarHBondContact O-N 3.28Å
64R51.8Low52.9Low170 Ų170110.1 Ų110.164%0.64256%0.563SS**Hα-helixtrans-65.6-36.1176.3-119177.1178.8-178.6-0.4113.4T60 K61 R66 E67 N68T60-R64 WeakPolarHBondContact O-CB 3.34Å; T60-R64 PolarHBondContact O-N 3.11Å; K61-R64 CarbonylContact O-C 3.55Å; K61-R64 PolarHBondContact O-N 2.94Å; K61-R64 VanDerWaalsContact O-N 3.12Å; R64-R66 VanDerWaalsContact C-N 3.34Å; R64-E67 PolarHBondContact O-N 3.49Å; R64-N68 WeakPolarHBondContact O-CB 3.34Å; R64-N68 PolarHBondContact O-N 2.71Å; R64-N68 PolarHBondContact O-ND2 3.38Å
65E50.7Low51.3Low96 Ų96113.5 Ų113.545%0.44959%0.588SS.*Hα-helixtrans-64.3-41.2172-82.5-178.1165.200110.9L11 K61 E67 N68 L69L11-E65 HydrophobicContact CD2-CG 4.22Å; L11-E65 WeakPolarHBondContact CD2-OE1 3.35Å; K61-E65 PolarHBondContact O-N 3.1Å; E65-E67 VanDerWaalsContact C-N 3.28Å; E65-E67 PolarHBondContact O-N 3.41Å; E65-N68 PolarHBondContact O-N 3.45Å; E65-L69 WeakPolarHBondContact O-CB 3.39Å; E65-L69 WeakPolarHBondContact O-CD1 3.42Å; E65-L69 WeakPolarHBondContact O-CG 3.35Å; E65-L69 PolarHBondContact O-N 3.04Å
66R49.2Very low49.9Very low206 Ų206113.9 Ų113.978%0.77760%0.6SS**Hα-helixtrans-65.3-31.6175.3-152.7178.2-172.9-173.72.1112.5G62 L63 R64G62-R66 PolarHBondContact O-N 3.37Å; L63-R66 WeakPolarHBondContact O-CB 3.33Å; L63-R66 PolarHBondContact O-N 2.86Å; R64-R66 VanDerWaalsContact C-N 3.34Å
67E48.4Very low48.4Very low137 Ų137120.1 Ų120.164%0.6463%0.627SS**Hα-helixtrans-77.5-39.8173.2-102.3176.6161.800113.4L63 R64 E65 R70L63-E67 PolarHBondContact O-N 3.28Å; R64-E67 PolarHBondContact O-N 3.49Å; E65-E67 VanDerWaalsContact C-N 3.28Å; E65-E67 PolarHBondContact O-N 3.41Å; E67-R70 WeakPolarHBondContact O-CB 3.42Å; E67-R70 PolarHBondContact O-N 3.43Å
68N45.8Very low47.3Very low97 Ų97121.4 Ų121.452%0.51965%0.648SS.*Hα-helixtrans-80.4-12.6-177.9-70.5-16.7000114.1R64 E65 R70R64-N68 WeakPolarHBondContact O-CB 3.34Å; R64-N68 PolarHBondContact O-N 2.71Å; R64-N68 PolarHBondContact O-ND2 3.38Å; E65-N68 PolarHBondContact O-N 3.45Å; N68-R70 CarbonylContact C-O 3.54Å; N68-R70 PolarHBondContact O-N 2.97Å
69L43.1Very low46.4Very low149 Ų149119.5 Ų119.578%0.7866%0.661SS**THydrogen-bonded Turntrans-66.5-6.5165.9-90153.9000112.9E65E65-L69 WeakPolarHBondContact O-CB 3.39Å; E65-L69 WeakPolarHBondContact O-CD1 3.42Å; E65-L69 WeakPolarHBondContact O-CG 3.35Å; E65-L69 PolarHBondContact O-N 3.04Å
70R36.7Very low45.3Very low195 Ų195119 Ų11974%0.73665%0.654SS**THydrogen-bonded Turntrans-77.6126.5158.9-66.9-178.6176.3-179.70.2107.6E67 N68 A72E67-R70 WeakPolarHBondContact O-CB 3.42Å; E67-R70 PolarHBondContact O-N 3.43Å; N68-R70 CarbonylContact C-O 3.54Å; N68-R70 PolarHBondContact O-N 2.97Å; R70-A72 VanDerWaalsContact C-N 3.25Å; R70-A72 PolarHBondContact O-N 2.93Å
71P38.6Very low44.5Very low132 Ų132118.4 Ų118.486%0.85765%0.651SS**THydrogen-bonded Turntrans-68.484.1-170.128.3-34000110.4S73P71-S73 PolarHBondContact O-N 3.37Å
72A37.6Very low44.1Very low75 Ų75123.2 Ų123.262%0.6267%0.674SS**  trans-75.1103.6162.100000105.8R70 V74R70-A72 VanDerWaalsContact C-N 3.25Å; R70-A72 PolarHBondContact O-N 2.93Å; A72-V74 VanDerWaalsContact C-N 3.25Å; A72-V74 PolarHBondContact O-N 3.46Å
73S35.2Very low43.7Very low115 Ų115129.6 Ų129.680%0.80469%0.692SS**  trans-54.589.3165.452.70000109.2P71P71-S73 PolarHBondContact O-N 3.37Å
74V39.4Very low43.7Very low121 Ų121128 Ų12873%0.73368%0.683SS**  trans-69.6127.5169.7179.50000107A72 L76A72-V74 VanDerWaalsContact C-N 3.25Å; A72-V74 PolarHBondContact O-N 3.46Å; V74-L76 PolarHBondContact O-N 3.47Å
75P34.6Very low43.8Very low112 Ų112126.3 Ų126.373%0.72768%0.677SS**  trans-57.8125.1-176.1-23.332.5000112.1D77P75-D77 PolarHBondContact O-N 2.97Å
76L41.4Very low43.9Very low175 Ų175127.5 Ų127.592%0.91669%0.686SS**SBendtrans-70.768168.4-74.3159.2000109.7V74V74-L76 PolarHBondContact O-N 3.47Å
77D37.7Very low44.2Very low158 Ų158120 Ų12085%0.84567%0.665SS**  trans-153.450.8171-1282.5000112.6P75P75-D77 PolarHBondContact O-N 2.97Å
78G43.1Very low44.7Very low64 Ų64116.9 Ų116.966%0.6665%0.653SS**SBendtrans-106.5110.6155.800000107.1Y80G78-Y80 PolarHBondContact O-N 3.03Å
79G45.7Very low45.2Very low77 Ų77113 Ų11379%0.79463%0.634SS**  trans-64.654.6-172.900000116T81G79-T81 PolarHBondContact O-N 2.98Å
80Y41.4Very low45.9Very low126 Ų126110 Ų11049%0.49462%0.622SS.*  trans-77.1107.1164-110.1-94000108.2G78 D84 R85G78-Y80 PolarHBondContact O-N 3.03Å; Y80-D84 HydrophobicContact CD1-CB 3.74Å; Y80-D84 HydrophobicContact CE1-CB 4Å; Y80-R85 HydrophobicContact CD1-CG 4.26Å
81T44.9Very low47Very low76 Ų76106.3 Ų106.347%0.46661%0.613SS.*  trans-69151.4175.570.80000109.6G79 K83 D84 R85G79-T81 PolarHBondContact O-N 2.98Å; T81-K83 PolarHBondContact O-N 3.1Å; T81-D84 WeakPolarHBondContact CB-OD2 2.99Å; T81-D84 PolarHBondContact N-OD2 3.33Å; T81-D84 VanDerWaalsContact N-OD2 3.11Å; T81-D84 WeakPolarHBondContact O-CB 3.39Å; T81-D84 PolarHBondContact O-N 3.34Å; T81-D84 PolarHBondContact OG1-N 3.16Å; T81-D84 PolarHBondContact OG1-OD2 2.73Å; T81-R85 PolarHBondContact O-N 3.22Å
82E51.3Low48.2Very low168 Ų168104 Ų10479%0.78559%0.591SS**Hα-helixtrans-55.3-25.3176.6-170169.7-169.900112.5R85 L86E82-R85 PolarHBondContact O-N 3.31Å; E82-L86 PolarHBondContact O-N 3.37Å
83K48.9Very low50.1Low171 Ų171105.6 Ų105.674%0.74358%0.581SS**Hα-helixtrans-71.4-37.7175.2-149.6175.2-175.3176.60112.7T81 R85 L86 S87T81-K83 PolarHBondContact O-N 3.1Å; K83-R85 VanDerWaalsContact C-N 3.35Å; K83-L86 PolarHBondContact O-N 3.46Å; K83-S87 PolarHBondContact O-N 3.26Å; K83-S87 PolarHBondContact O-OG 3.22Å
84D52.8Low52.3Low68 Ų68101.8 Ų101.836%0.36456%0.555SS.*Hα-helixtrans-68.7-37174.2-55.2-40.2000110.5Y80 T81 S87 D88Y80-D84 HydrophobicContact CD1-CB 3.74Å; Y80-D84 HydrophobicContact CE1-CB 4Å; T81-D84 WeakPolarHBondContact CB-OD2 2.99Å; T81-D84 PolarHBondContact N-OD2 3.33Å; T81-D84 VanDerWaalsContact N-OD2 3.11Å; T81-D84 WeakPolarHBondContact O-CB 3.39Å; T81-D84 PolarHBondContact O-N 3.34Å; T81-D84 PolarHBondContact OG1-N 3.16Å; T81-D84 PolarHBondContact OG1-OD2 2.73Å; D84-S87 VanDerWaalsContact CA-OG 3.26Å; D84-S87 WeakPolarHBondContact CA-OG 3.27Å; D84-S87 PolarHBondContact O-N 3.09Å; D84-S87 PolarHBondContact O-OG 3.45Å; D84-D88 PolarHBondContact O-N 3.27Å
85R52.3Low54.4Low134 Ų134104.3 Ų104.351%0.50656%0.556SS.*Hα-helixtrans-65.9-40.8174.5-62-177.9-173.71722.1112.9Y80 T81 E82 K83 A89Y80-R85 HydrophobicContact CD1-CG 4.26Å; T81-R85 PolarHBondContact O-N 3.22Å; E82-R85 PolarHBondContact O-N 3.31Å; K83-R85 VanDerWaalsContact C-N 3.35Å; R85-A89 WeakPolarHBondContact O-CB 3.02Å; R85-A89 PolarHBondContact O-N 3.34Å; R85-A89 VanDerWaalsContact O-N 3.14Å
86L52.6Low56.8Low122 Ų122100.2 Ų100.264%0.63953%0.532SS*.Hα-helixtrans-68.8-39178.8-168.966.9000110.8E82 K83 A89 T90E82-L86 PolarHBondContact O-N 3.37Å; K83-L86 PolarHBondContact O-N 3.46Å; L86-A89 PolarHBondContact O-N 3.45Å; L86-T90 VanDerWaalsContact O-CG2 3.29Å; L86-T90 WeakPolarHBondContact O-CG2 3.45Å; L86-T90 PolarHBondContact O-N 2.93Å; L86-T90 PolarHBondContact O-OG1 2.88Å; L86-T90 VanDerWaalsContact O-OG1 3.12Å
87S56.3Low58.7Low49 Ų4992 Ų9234%0.34349%0.489SS..Hα-helixtrans-65.4-49176.743.70000112.3K83 D84 A89 T90 E91K83-S87 PolarHBondContact O-N 3.26Å; K83-S87 PolarHBondContact O-OG 3.22Å; D84-S87 VanDerWaalsContact CA-OG 3.26Å; D84-S87 WeakPolarHBondContact CA-OG 3.27Å; D84-S87 PolarHBondContact O-N 3.09Å; D84-S87 PolarHBondContact O-OG 3.45Å; S87-A89 VanDerWaalsContact C-N 3.3Å; S87-A89 PolarHBondContact O-N 3.2Å; S87-T90 WeakPolarHBondContact CA-OG1 3.46Å; S87-T90 CarbonylContact O-C 3.56Å; S87-T90 PolarHBondContact O-N 3.34Å; S87-T90 VanDerWaalsContact O-N 3.11Å; S87-T90 PolarHBondContact O-OG1 2.72Å; S87-E91 WeakPolarHBondContact O-CG 3.46Å; S87-E91 PolarHBondContact O-N 2.95Å
88D59Low61.1Low71 Ų7186 Ų8638%0.3846%0.462SS..Hα-helixtrans-56.3-43.1174.5-85.9-18.2000111.9D84 T90 E91 E92D84-D88 PolarHBondContact O-N 3.27Å; D88-T90 PolarHBondContact O-N 2.93Å; D88-E91 PolarHBondContact O-N 3.3Å; D88-E92 PolarHBondContact O-N 3.09Å; D88-E92 VanDerWaalsContact O-N 3.1Å
89A56.1Low63.2Low15 Ų1586.6 Ų86.612%0.12445%0.449CS..Hα-helixtrans-66.3-38.3177.700000112.9R85 L86 S87 E91 E92 W93R85-A89 WeakPolarHBondContact O-CB 3.02Å; R85-A89 PolarHBondContact O-N 3.34Å; R85-A89 VanDerWaalsContact O-N 3.14Å; L86-A89 PolarHBondContact O-N 3.45Å; S87-A89 VanDerWaalsContact C-N 3.3Å; S87-A89 PolarHBondContact O-N 3.2Å; A89-E91 VanDerWaalsContact C-N 3.31Å; A89-E92 PolarHBondContact O-N 3.03Å; A89-W93 PolarHBondContact O-N 3.11Å; A89-W93 VanDerWaalsContact O-N 3.08Å
90T57.4Low65.1Low87 Ų8783.4 Ų83.453%0.53441%0.413SS..Hα-helixtrans-70.6-26.9173.555.90000112.8L86 S87 D88 W93L86-T90 VanDerWaalsContact O-CG2 3.29Å; L86-T90 WeakPolarHBondContact O-CG2 3.45Å; L86-T90 PolarHBondContact O-N 2.93Å; L86-T90 PolarHBondContact O-OG1 2.88Å; L86-T90 VanDerWaalsContact O-OG1 3.12Å; S87-T90 WeakPolarHBondContact CA-OG1 3.46Å; S87-T90 CarbonylContact O-C 3.56Å; S87-T90 PolarHBondContact O-N 3.34Å; S87-T90 VanDerWaalsContact O-N 3.11Å; S87-T90 PolarHBondContact O-OG1 2.72Å; D88-T90 PolarHBondContact O-N 2.93Å; T90-W93 CarbonylContact O-C 3.51Å
91E59.5Low67.2Low117 Ų11779 Ų7955%0.54740%0.397SS..Hα-helixtrans-72.1-33.5174.6-78.2-158.5179.300113S87 D88 A89 K237S87-E91 WeakPolarHBondContact O-CG 3.46Å; S87-E91 PolarHBondContact O-N 2.95Å; D88-E91 PolarHBondContact O-N 3.3Å; A89-E91 VanDerWaalsContact C-N 3.31Å; E91-K237 PolarHBondContact O-NZ 2.96Å
92E65.1Low69.3Low84 Ų8477.7 Ų77.739%0.39339%0.389SS..Hα-helixtrans-72.3-47.8172.5-72.5-173.9-150.500111.4R9 D88 A89 S94R9-E92 IonicContact CZ-OE1 3.76Å; R9-E92 IonicContact CZ-OE2 3.45Å; R9-E92 IonicContact NE-OE1 2.61Å; R9-E92 IonicContact NE-OE2 3.19Å; R9-E92 IonicContact NH2-OE1 3.54Å; R9-E92 PolarHBondContact NH2-OE1 3.18Å; R9-E92 VanDerWaalsContact NH2-OE1 3.09Å; R9-E92 IonicContact NH2-OE2 2.9Å; R9-E92 PolarHBondContact NH2-OE2 3.49Å; D88-E92 PolarHBondContact O-N 3.09Å; D88-E92 VanDerWaalsContact O-N 3.1Å; A89-E92 PolarHBondContact O-N 3.03Å; E92-S94 PolarHBondContact O-N 3.44Å
93W77Confident71.1Confident107 Ų10771.6 Ų71.641%0.40536%0.361SS..SBendtrans-95.161.1178.9-71.992.8000113A89 T90 A98 F101 M114A89-W93 PolarHBondContact O-N 3.11Å; A89-W93 VanDerWaalsContact O-N 3.08Å; T90-W93 CarbonylContact O-C 3.51Å; W93-A98 HydrophobicContact CE3-CB 4.17Å; W93-F101 HydrophobicContact CH2-CD1 4.19Å; W93-F101 HydrophobicContact CH2-CD2 4.48Å; W93-F101 HydrophobicContact CH2-CG 4.12Å; W93-F101 HydrophobicContact CZ3-CB 4.12Å; W93-F101 HydrophobicContact CZ3-CD1 4.08Å; W93-F101 HydrophobicContact CZ3-CG 4.09Å; W93-M114 HydrophobicContact CH2-CB 3.87Å; W93-M114 HydrophobicContact CZ2-CB 4.22Å; W93-M114 HydrophobicContact CZ3-CB 4.43Å
94S81.8Confident73Confident36 Ų3663.9 Ų63.925%0.25233%0.328SS..  trans-63.8156.1167.272.80000111.3E92 A96 A97 A98E92-S94 PolarHBondContact O-N 3.44Å; S94-A96 PolarHBondContact O-N 3.41Å; S94-A97 WeakPolarHBondContact O-CB 3.3Å; S94-A97 PolarHBondContact O-N 3.25Å; S94-A97 VanDerWaalsContact O-N 3.07Å; S94-A97 VanDerWaalsContact OG-CB 3.26Å; S94-A97 WeakPolarHBondContact OG-CB 3.46Å; S94-A97 PolarHBondContact OG-N 2.95Å; S94-A98 PolarHBondContact O-N 2.62Å
95F83Confident74.7Confident173 Ų17361.9 Ų61.976%0.75932%0.319SS*.Hα-helixtrans-54.7-40.6176.6177-99000112.6A98 L99F95-A98 PolarHBondContact O-N 3.44Å; F95-L99 WeakPolarHBondContact O-CB 3.42Å; F95-L99 PolarHBondContact O-N 3.04Å
96A84.5Confident76.6Confident27 Ų2756.4 Ų56.422%0.22330%0.3CS..Hα-helixtrans-66.1-40.1177.200000112.3S94 L99 F100 I241S94-A96 PolarHBondContact O-N 3.41Å; A96-L99 PolarHBondContact O-N 3.24Å; A96-F100 WeakPolarHBondContact O-CB 3.45Å; A96-F100 PolarHBondContact O-N 3.34Å; A96-I241 HydrophobicContact CB-CG1 4.41Å
97A82.9Confident78.3Confident2 Ų250.9 Ų50.92%0.01727%0.271CS..Hα-helixtrans-63.2-45.4174.400000111.8S94 L99 F100 F101 M114S94-A97 WeakPolarHBondContact O-CB 3.3Å; S94-A97 PolarHBondContact O-N 3.25Å; S94-A97 VanDerWaalsContact O-N 3.07Å; S94-A97 VanDerWaalsContact OG-CB 3.26Å; S94-A97 WeakPolarHBondContact OG-CB 3.46Å; S94-A97 PolarHBondContact OG-N 2.95Å; A97-L99 PolarHBondContact O-N 3.11Å; A97-F100 WeakPolarHBondContact O-CB 3.46Å; A97-F100 PolarHBondContact O-N 3.43Å; A97-F101 PolarHBondContact O-N 3.43Å; A97-M114 HydrophobicContact CB-CE 3.52Å; A97-M114 HydrophobicContact CB-SD 3.7Å
98A86.5Confident79.8Confident33 Ų3351.8 Ų51.827%0.27327%0.274SS..Hα-helixtrans-62.4-41.817600000112.2W93 S94 F95 F101 V102W93-A98 HydrophobicContact CE3-CB 4.17Å; S94-A98 PolarHBondContact O-N 2.62Å; F95-A98 PolarHBondContact O-N 3.44Å; A98-F101 PolarHBondContact O-N 2.81Å; A98-V102 WeakPolarHBondContact O-CG2 3.37Å; A98-V102 PolarHBondContact O-N 3.49Å
99L87.4Confident81.2Confident76 Ų7648.6 Ų48.640%0.39826%0.257SS..Hα-helixtrans-64.5-41.8175.5-174.965.5000111.8F95 A96 A97 V102 L103 M244F95-L99 WeakPolarHBondContact O-CB 3.42Å; F95-L99 PolarHBondContact O-N 3.04Å; A96-L99 PolarHBondContact O-N 3.24Å; A97-L99 PolarHBondContact O-N 3.11Å; L99-V102 PolarHBondContact O-N 2.78Å; L99-L103 WeakPolarHBondContact O-CB 3.29Å; L99-L103 PolarHBondContact O-N 3.25Å; L99-M244 HydrophobicContact CD2-CE 3.8Å; L99-M244 HydrophobicContact CD2-SD 3.89Å; L99-M244 HydrophobicContact CG-CE 4.43Å; L99-M244 HydrophobicContact CG-SD 3.9Å
100F85.9Confident82.5Confident9 Ų949.9 Ų49.94%0.03927%0.272CS..Hα-helixtrans-61.7-43.9175.2-178.8-101.3000111.7A96 A97 L103 T104 Y111 V233 P234 I240A96-F100 WeakPolarHBondContact O-CB 3.45Å; A96-F100 PolarHBondContact O-N 3.34Å; A97-F100 WeakPolarHBondContact O-CB 3.46Å; A97-F100 PolarHBondContact O-N 3.43Å; F100-L103 PolarHBondContact O-N 3.09Å; F100-T104 HydrophobicContact CD1-CG2 4.28Å; F100-T104 HydrophobicContact CD2-CG2 4.12Å; F100-T104 HydrophobicContact CE1-CG2 4.01Å; F100-T104 HydrophobicContact CE2-CG2 3.85Å; F100-T104 HydrophobicContact CG-CG2 4.34Å; F100-T104 HydrophobicContact CZ-CG2 3.8Å; F100-T104 WeakPolarHBondContact O-CB 3.02Å; F100-T104 VanDerWaalsContact O-CG2 3.26Å; F100-T104 WeakPolarHBondContact O-CG2 3.22Å; F100-T104 PolarHBondContact O-N 3.45Å; F100-T104 PolarHBondContact O-OG1 2.9Å; F100-Y111 AromaticContact CE1-CD2 3.92Å; F100-Y111 HydrophobicContact CE1-CD2 3.92Å; F100-Y111 HydrophobicContact CE1-CE2 4.37Å; F100-Y111 HydrophobicContact CE2-CE2 4.28Å; F100-Y111 AromaticContact CZ-CD2 3.57Å; F100-Y111 HydrophobicContact CZ-CD2 3.57Å; F100-Y111 AromaticContact CZ-CE2 3.57Å; F100-Y111 HydrophobicContact CZ-CE2 3.57Å; F100-V233 HydrophobicContact CE1-CG1 4.38Å; F100-P234 HydrophobicContact CE2-CG 4.12Å; F100-P234 HydrophobicContact CZ-CG 3.84Å; F100-I240 HydrophobicContact CB-CG2 3.74Å; F100-I240 HydrophobicContact CD2-CG2 3.89Å; F100-I240 HydrophobicContact CG-CG2 3.86Å
101F86.5Confident83.6Confident35 Ų3546.7 Ų46.715%0.15425%0.25CC..Hα-helixtrans-57.8-49.7173.3169.1-105.2000111.9W93 A97 A98 T104 T105 M114W93-F101 HydrophobicContact CH2-CD1 4.19Å; W93-F101 HydrophobicContact CH2-CD2 4.48Å; W93-F101 HydrophobicContact CH2-CG 4.12Å; W93-F101 HydrophobicContact CZ3-CB 4.12Å; W93-F101 HydrophobicContact CZ3-CD1 4.08Å; W93-F101 HydrophobicContact CZ3-CG 4.09Å; A97-F101 PolarHBondContact O-N 3.43Å; A98-F101 PolarHBondContact O-N 2.81Å; F101-T104 PolarHBondContact O-OG1 3.34Å; F101-T105 WeakPolarHBondContact CE2-OG1 3.37Å; F101-T105 WeakPolarHBondContact O-CB 3.26Å; F101-T105 PolarHBondContact O-N 3.19Å; F101-T105 PolarHBondContact O-OG1 2.96Å; F101-M114 HydrophobicContact CB-CB 4.35Å; F101-M114 HydrophobicContact CD2-CB 4.08Å; F101-M114 WeakPolarHBondContact CD2-O 3.2Å; F101-M114 WeakPolarHBondContact CE2-O 3.25Å; F101-M114 HydrophobicContact CG-CB 4.47Å
102V89.5Confident84.4Confident48 Ų4843.4 Ų43.429%0.29125%0.248SC..Hα-helixtrans-62.3-47.2179.7169.30000111.3A98 L99 T105 L106 Y128A98-V102 WeakPolarHBondContact O-CG2 3.37Å; A98-V102 PolarHBondContact O-N 3.49Å; L99-V102 PolarHBondContact O-N 2.78Å; V102-T105 PolarHBondContact O-N 3.47Å; V102-L106 HydrophobicContact CG1-CD1 4.02Å; V102-L106 HydrophobicContact CG1-CG 4.42Å; V102-L106 WeakPolarHBondContact O-CB 3.48Å; V102-L106 WeakPolarHBondContact O-CG 3.26Å; V102-L106 PolarHBondContact O-N 2.93Å; V102-Y128 HydrophobicContact CG1-CE1 4.02Å; V102-Y128 VanDerWaalsContact CG1-OH 3.29Å; V102-Y128 WeakPolarHBondContact CG1-OH 3.37Å
103L88.7Confident84.9Confident39 Ų3944 Ų4420%0.20425%0.254CS..Hα-helixtrans-65-47.6-178.8-173.869.2000111.5L99 F100 T105 L106 T107 M244L99-L103 WeakPolarHBondContact O-CB 3.29Å; L99-L103 PolarHBondContact O-N 3.25Å; F100-L103 PolarHBondContact O-N 3.09Å; L103-T105 VanDerWaalsContact C-N 3.29Å; L103-T105 PolarHBondContact O-N 2.81Å; L103-L106 PolarHBondContact O-N 2.76Å; L103-T107 HydrophobicContact CD1-CG2 4.01Å; L103-T107 HydrophobicContact CG-CG2 4.22Å; L103-T107 WeakPolarHBondContact O-CB 2.76Å; L103-T107 WeakPolarHBondContact O-CG2 3.02Å; L103-T107 PolarHBondContact O-N 2.77Å; L103-T107 PolarHBondContact O-OG1 2.92Å; L103-M244 HydrophobicContact CD2-CG 3.19Å; L103-M244 HydrophobicContact CD2-SD 3.88Å; L103-M244 HydrophobicContact CG-CG 4.48Å
104T87.8Confident84.9Confident9 Ų940.8 Ų40.86%0.05524%0.244CC..Hα-helixtrans-65.7-32.6-179.754.30000112.2F100 F101 T107 T108 I109 G110 Y111F100-T104 HydrophobicContact CD1-CG2 4.28Å; F100-T104 HydrophobicContact CD2-CG2 4.12Å; F100-T104 HydrophobicContact CE1-CG2 4.01Å; F100-T104 HydrophobicContact CE2-CG2 3.85Å; F100-T104 HydrophobicContact CG-CG2 4.34Å; F100-T104 HydrophobicContact CZ-CG2 3.8Å; F100-T104 WeakPolarHBondContact O-CB 3.02Å; F100-T104 VanDerWaalsContact O-CG2 3.26Å; F100-T104 WeakPolarHBondContact O-CG2 3.22Å; F100-T104 PolarHBondContact O-N 3.45Å; F100-T104 PolarHBondContact O-OG1 2.9Å; F101-T104 PolarHBondContact O-OG1 3.34Å; T104-T107 WeakPolarHBondContact CA-OG1 3.28Å; T104-T107 PolarHBondContact O-OG1 2.84Å; T104-T108 PolarHBondContact O-N 2.82Å; T104-I109 PolarHBondContact O-N 2.91Å; T104-G110 PolarHBondContact O-N 2.99Å; T104-Y111 HydrophobicContact CG2-CD2 3.83Å; T104-Y111 HydrophobicContact CG2-CE2 3.85Å
105T89.8Confident84.9Confident26 Ų2642.4 Ų42.416%0.1625%0.252CS..Hα-helixtrans-69.1-48.3173.8-59.20000111.3F101 V102 L103 T108 C129F101-T105 WeakPolarHBondContact CE2-OG1 3.37Å; F101-T105 WeakPolarHBondContact O-CB 3.26Å; F101-T105 PolarHBondContact O-N 3.19Å; F101-T105 PolarHBondContact O-OG1 2.96Å; V102-T105 PolarHBondContact O-N 3.47Å; L103-T105 VanDerWaalsContact C-N 3.29Å; L103-T105 PolarHBondContact O-N 2.81Å; T105-T108 PolarHBondContact O-N 3.32Å; T105-T108 VanDerWaalsContact O-N 3.1Å; T105-C129 WeakPolarHBondContact CG2-SG 3.24Å
106L91Very high84.8Confident20 Ų2035.8 Ų35.811%0.10523%0.226CC..Hα-helixtrans-71.1-32.3-178.3-72.2-176.7000113.9V102 L103 T108 Y128 V136V102-L106 HydrophobicContact CG1-CD1 4.02Å; V102-L106 HydrophobicContact CG1-CG 4.42Å; V102-L106 WeakPolarHBondContact O-CB 3.48Å; V102-L106 WeakPolarHBondContact O-CG 3.26Å; V102-L106 PolarHBondContact O-N 2.93Å; L103-L106 PolarHBondContact O-N 2.76Å; L106-T108 PolarHBondContact O-N 3.44Å; L106-Y128 HydrophobicContact CD1-CE1 3.84Å; L106-Y128 WeakPolarHBondContact CD1-OH 3.26Å; L106-Y128 HydrophobicContact CD2-CD1 3.91Å; L106-Y128 HydrophobicContact CD2-CE1 3.48Å; L106-Y128 VanDerWaalsContact CD2-CE1 3.48Å; L106-Y128 HydrophobicContact CG-CE1 3.68Å; L106-V136 HydrophobicContact CB-CG2 3.85Å; L106-V136 HydrophobicContact CD1-CG2 3.99Å; L106-V136 HydrophobicContact CG-CG2 4.47Å
107T87.8Confident84.5Confident6 Ų638.4 Ų38.44%0.03724%0.235CC..THydrogen-bonded Turntrans-794.6172.4540000112.4L103 T104 I109 V136 T226 L251L103-T107 HydrophobicContact CD1-CG2 4.01Å; L103-T107 HydrophobicContact CG-CG2 4.22Å; L103-T107 WeakPolarHBondContact O-CB 2.76Å; L103-T107 WeakPolarHBondContact O-CG2 3.02Å; L103-T107 PolarHBondContact O-N 2.77Å; L103-T107 PolarHBondContact O-OG1 2.92Å; T104-T107 WeakPolarHBondContact CA-OG1 3.28Å; T104-T107 PolarHBondContact O-OG1 2.84Å; T107-I109 PolarHBondContact O-N 3.46Å; T107-I109 VanDerWaalsContact O-N 3.11Å; T107-I109 VanDerWaalsContact OG1-CD1 3.29Å; T107-I109 WeakPolarHBondContact OG1-CD1 3.23Å; T107-I109 WeakPolarHBondContact OG1-CG1 3.48Å; T107-V136 HydrophobicContact CG2-CG1 4.13Å; T107-T226 WeakPolarHBondContact O-CB 3.2Å; T107-T226 VanDerWaalsContact O-CG2 3.29Å; T107-T226 WeakPolarHBondContact O-CG2 3.37Å; T107-L251 HydrophobicContact CG2-CD2 3.76Å
108T88.6Confident84.6Confident68 Ų6839.7 Ų39.742%0.41724%0.242SC..THydrogen-bonded Turntrans61.314178.864.10000115.1T104 T105 L106 I133T104-T108 PolarHBondContact O-N 2.82Å; T105-T108 PolarHBondContact O-N 3.32Å; T105-T108 VanDerWaalsContact O-N 3.1Å; L106-T108 PolarHBondContact O-N 3.44Å; T108-I133 HydrophobicContact CG2-CD1 3.94Å; T108-I133 HydrophobicContact CG2-CG1 4.07Å; T108-I133 HydrophobicContact CG2-CG2 3.99Å
109I87.5Confident84.6Confident4 Ų448.6 Ų48.62%0.02127%0.269CS..  trans-71.2-53.8176.3-57.9171.6000109.6T104 T107 Y111 T226 G228 V247T104-I109 PolarHBondContact O-N 2.91Å; T107-I109 PolarHBondContact O-N 3.46Å; T107-I109 VanDerWaalsContact O-N 3.11Å; T107-I109 VanDerWaalsContact OG1-CD1 3.29Å; T107-I109 WeakPolarHBondContact OG1-CD1 3.23Å; T107-I109 WeakPolarHBondContact OG1-CG1 3.48Å; I109-Y111 HydrophobicContact CG2-CD1 4.12Å; I109-Y111 HydrophobicContact CG2-CD2 4.14Å; I109-Y111 HydrophobicContact CG2-CE1 3.77Å; I109-Y111 HydrophobicContact CG2-CE2 3.78Å; I109-Y111 HydrophobicContact CG2-CG 4.3Å; I109-T226 HydrophobicContact CG1-CG2 3.98Å; I109-G228 WeakPolarHBondContact O-CA 3.39Å; I109-V247 HydrophobicContact CD1-CG1 3.09Å
110G84.6Confident84.7Confident41 Ų4152.1 Ų52.142%0.42328%0.283SS..  trans51.962.2172.400000115.7T104 G112T104-G110 PolarHBondContact O-N 2.99Å; G110-G112 PolarHBondContact O-N 2.85Å
111Y79.7Confident84.8Confident20 Ų2052.4 Ų52.48%0.07829%0.289CS..  trans-57.7-18.7178.5-66.1-63000115.3F100 T104 I109 D113 S223 G230 V233F100-Y111 AromaticContact CE1-CD2 3.92Å; F100-Y111 HydrophobicContact CE1-CD2 3.92Å; F100-Y111 HydrophobicContact CE1-CE2 4.37Å; F100-Y111 HydrophobicContact CE2-CE2 4.28Å; F100-Y111 AromaticContact CZ-CD2 3.57Å; F100-Y111 HydrophobicContact CZ-CD2 3.57Å; F100-Y111 AromaticContact CZ-CE2 3.57Å; F100-Y111 HydrophobicContact CZ-CE2 3.57Å; T104-Y111 HydrophobicContact CG2-CD2 3.83Å; T104-Y111 HydrophobicContact CG2-CE2 3.85Å; I109-Y111 HydrophobicContact CG2-CD1 4.12Å; I109-Y111 HydrophobicContact CG2-CD2 4.14Å; I109-Y111 HydrophobicContact CG2-CE1 3.77Å; I109-Y111 HydrophobicContact CG2-CE2 3.78Å; I109-Y111 HydrophobicContact CG2-CG 4.3Å; Y111-D113 VanDerWaalsContact C-N 3.28Å; Y111-D113 PolarHBondContact O-N 3.49Å; Y111-S223 WeakPolarHBondContact OH-CB 3.09Å; Y111-S223 PolarHBondContact OH-OG 3.48Å; Y111-G230 VanDerWaalsContact O-CA 3.27Å; Y111-G230 WeakPolarHBondContact O-CA 3.32Å; Y111-V233 HydrophobicContact CD1-CG2 4.08Å; Y111-V233 HydrophobicContact CG-CG2 3.91Å
112G76.7Confident84.9Confident49 Ų4957.4 Ų57.451%0.50531%0.307SS..SBendtrans79.31.1177.500000115.6G110 M114G110-G112 PolarHBondContact O-N 2.85Å; G112-M114 VanDerWaalsContact C-N 3.31Å; G112-M114 PolarHBondContact O-N 3.45Å
113D75Confident85Confident96 Ų9659.1 Ų59.151%0.51332%0.317SS..SBendtrans-63.1-36.8177.9-173.647.5000112.6Y111 V233Y111-D113 VanDerWaalsContact C-N 3.28Å; Y111-D113 PolarHBondContact O-N 3.49Å; D113-V233 HydrophobicContact CB-CG1 3.93Å
114M76.8Confident85.2Confident40 Ų4064.4 Ų64.420%0.19734%0.339CS..SBendtrans-124.8124175.9-63.7173-171.600108.7W93 A97 F101 G112W93-M114 HydrophobicContact CH2-CB 3.87Å; W93-M114 HydrophobicContact CZ2-CB 4.22Å; W93-M114 HydrophobicContact CZ3-CB 4.43Å; A97-M114 HydrophobicContact CB-CE 3.52Å; A97-M114 HydrophobicContact CB-SD 3.7Å; F101-M114 HydrophobicContact CB-CB 4.35Å; F101-M114 HydrophobicContact CD2-CB 4.08Å; F101-M114 WeakPolarHBondContact CD2-O 3.2Å; F101-M114 WeakPolarHBondContact CE2-O 3.25Å; F101-M114 HydrophobicContact CG-CB 4.47Å; G112-M114 VanDerWaalsContact C-N 3.31Å; G112-M114 PolarHBondContact O-N 3.45Å
115V81.8Confident85.4Confident69 Ų6965 Ų6542%0.41834%0.343SS..  trans-140.4146.6-177.3-68.90000111.6M117V115-M117 HydrophobicContact CG2-SD 3.72Å; V115-M117 PolarHBondContact O-N 3.1Å; V115-M117 VanDerWaalsContact O-N 3.11Å
116P82.6Confident85.5Confident34 Ų3468.9 Ų68.922%0.22136%0.362CS..  trans-69.3110172.827.4-31.8000109.8R122 C125P116-R122 HydrophobicContact CB-CG 4.27Å; P116-R122 HydrophobicContact CG-CG 4.05Å; P116-R122 WeakPolarHBondContact O-CG 3.21Å; P116-R122 PolarHBondContact O-NE 2.74Å; P116-C125 HydrophobicContact CG-CB 4.09Å
117M77.4Confident85.7Confident82 Ų8271.4 Ų71.440%0.40438%0.381SS..  trans-76-28.2178.9-63.1-56.8-121.400112.7V115 R122V115-M117 HydrophobicContact CG2-SD 3.72Å; V115-M117 PolarHBondContact O-N 3.1Å; V115-M117 VanDerWaalsContact O-N 3.11Å; M117-R122 PolarHBondContact O-NE 3.11Å; M117-R122 PolarHBondContact O-NH2 2.61Å
118T84.7Confident86Confident29 Ų2975.8 Ų75.818%0.17840%0.397CS..SBendtrans-80145.3-177.367.10000112.9K2 E120 G121 R122K2-T118 WeakPolarHBondContact O-CG2 3.47Å; T118-E120 VanDerWaalsContact C-N 3.3Å; T118-E120 PolarHBondContact O-N 2.88Å; T118-G121 PolarHBondContact O-N 2.92Å; T118-G121 WeakPolarHBondContact OG1-CA 3.25Å; T118-G121 PolarHBondContact OG1-N 3.32Å; T118-R122 VanDerWaalsContact O-CG 3.31Å; T118-R122 WeakPolarHBondContact O-CG 3.47Å; T118-R122 PolarHBondContact O-N 2.98Å
119R86.5Confident86.3Confident220 Ų22073.5 Ų73.583%0.8338%0.383SS*.Hα-helixtrans-56.8-43.9175.7-170.6178.8-177.2-171.51112.2R122 V123R119-R122 PolarHBondContact O-N 3.33Å; R119-V123 WeakPolarHBondContact O-CG2 3.14Å; R119-V123 PolarHBondContact O-N 2.84Å; R119-V123 VanDerWaalsContact O-N 3.08Å
120E89.5Confident86.7Confident150 Ų15078.7 Ų78.770%0.70141%0.41SS*.Hα-helixtrans-63.9-44.7177.4-64.9174.2179.300111.8T118 R122 V123 F124T118-E120 VanDerWaalsContact C-N 3.3Å; T118-E120 PolarHBondContact O-N 2.88Å; E120-R122 VanDerWaalsContact C-N 3.32Å; E120-R122 PolarHBondContact O-N 3.43Å; E120-V123 PolarHBondContact O-N 3.5Å; E120-F124 WeakPolarHBondContact O-CB 3.34Å; E120-F124 PolarHBondContact O-N 3.02Å
121G87.6Confident87.2Confident15 Ų1583 Ų8316%0.15542%0.422CS..Hα-helixtrans-63.1-36.6176.900000112.9T118 C125T118-G121 PolarHBondContact O-N 2.92Å; T118-G121 WeakPolarHBondContact OG1-CA 3.25Å; T118-G121 PolarHBondContact OG1-N 3.32Å; G121-C125 VanDerWaalsContact O-CB 3.24Å; G121-C125 WeakPolarHBondContact O-CB 3.26Å; G121-C125 PolarHBondContact O-N 3.45Å
122R88.6Confident87.9Confident141 Ų14182.4 Ų82.453%0.53242%0.423SS..Hα-helixtrans-65.1-44.6174.5-69.4173.4-171.4-178.84.5111.8P116 M117 T118 R119 E120 C125 L126P116-R122 HydrophobicContact CB-CG 4.27Å; P116-R122 HydrophobicContact CG-CG 4.05Å; P116-R122 WeakPolarHBondContact O-CG 3.21Å; P116-R122 PolarHBondContact O-NE 2.74Å; M117-R122 PolarHBondContact O-NE 3.11Å; M117-R122 PolarHBondContact O-NH2 2.61Å; T118-R122 VanDerWaalsContact O-CG 3.31Å; T118-R122 WeakPolarHBondContact O-CG 3.47Å; T118-R122 PolarHBondContact O-N 2.98Å; R119-R122 PolarHBondContact O-N 3.33Å; E120-R122 VanDerWaalsContact C-N 3.32Å; E120-R122 PolarHBondContact O-N 3.43Å; R122-C125 PolarHBondContact O-N 3.25Å; R122-L126 WeakPolarHBondContact O-CB 3.29Å; R122-L126 PolarHBondContact O-N 3.5Å
123V92.8Very high88.7Confident84 Ų8482.3 Ų82.351%0.50941%0.41SS..Hα-helixtrans-63.9-44176.6173.40000110.9R119 E120 L126 C127R119-V123 WeakPolarHBondContact O-CG2 3.14Å; R119-V123 PolarHBondContact O-N 2.84Å; R119-V123 VanDerWaalsContact O-N 3.08Å; E120-V123 PolarHBondContact O-N 3.5Å; V123-L126 WeakPolarHBondContact O-CB 3Å; V123-L126 PolarHBondContact O-N 3.05Å; V123-C127 PolarHBondContact O-N 3.46Å; V123-C127 PolarHBondContact O-SG 3.14Å
124F92.9Very high89.6Confident150 Ų15081 Ų8166%0.65841%0.407SS*.Hα-helixtrans-60.2-47.6175.4177-96.5000112E120 L126 C127 Y128E120-F124 WeakPolarHBondContact O-CB 3.34Å; E120-F124 PolarHBondContact O-N 3.02Å; F124-L126 VanDerWaalsContact C-N 3.27Å; F124-L126 PolarHBondContact O-N 2.94Å; F124-C127 PolarHBondContact O-N 3.05Å; F124-Y128 WeakPolarHBondContact O-CB 3.32Å; F124-Y128 PolarHBondContact O-N 3.19Å
125C91.7Very high90.4Very high21 Ų2184.3 Ų84.314%0.14242%0.424CS..Hα-helixtrans-58.7-39.9176.9-171.40000111.6P116 G121 R122 Y128 C129P116-C125 HydrophobicContact CG-CB 4.09Å; G121-C125 VanDerWaalsContact O-CB 3.24Å; G121-C125 WeakPolarHBondContact O-CB 3.26Å; G121-C125 PolarHBondContact O-N 3.45Å; R122-C125 PolarHBondContact O-N 3.25Å; C125-Y128 WeakPolarHBondContact O-CB 3.27Å; C125-Y128 PolarHBondContact O-N 3.49Å; C125-C129 WeakPolarHBondContact O-CB 3.39Å; C125-C129 PolarHBondContact O-N 3.47Å; C125-C129 PolarHBondContact O-SG 3.48Å
126L92.6Very high90.8Very high108 Ų10882.2 Ų82.257%0.56541%0.412SS*.Hα-helixtrans-62.6-50.3176.9-177.965.5000111.9R122 V123 F124 Y128 C129 I130R122-L126 WeakPolarHBondContact O-CB 3.29Å; R122-L126 PolarHBondContact O-N 3.5Å; V123-L126 WeakPolarHBondContact O-CB 3Å; V123-L126 PolarHBondContact O-N 3.05Å; F124-L126 VanDerWaalsContact C-N 3.27Å; F124-L126 PolarHBondContact O-N 2.94Å; L126-Y128 VanDerWaalsContact C-N 3.26Å; L126-Y128 PolarHBondContact O-N 2.74Å; L126-C129 PolarHBondContact O-N 2.92Å; L126-C129 VanDerWaalsContact O-N 3.15Å; L126-I130 HydrophobicContact CG-CD1 4.23Å; L126-I130 WeakPolarHBondContact O-CG1 3.16Å; L126-I130 PolarHBondContact O-N 3.17Å
127C95.1Very high91.2Very high72 Ų7285.6 Ų85.649%0.48643%0.428SS..Hα-helixtrans-58.8-40.6176.5-67.40000111.7V123 F124V123-C127 PolarHBondContact O-N 3.46Å; V123-C127 PolarHBondContact O-SG 3.14Å; F124-C127 PolarHBondContact O-N 3.05Å
128Y93.9Very high91.8Very high99 Ų9985.8 Ų85.839%0.38843%0.433SS..Hα-helixtrans-62.8-42.1175.6-177.7-105.4000112.3V102 L106 F124 C125 L126 I131 G132V102-Y128 HydrophobicContact CG1-CE1 4.02Å; V102-Y128 VanDerWaalsContact CG1-OH 3.29Å; V102-Y128 WeakPolarHBondContact CG1-OH 3.37Å; L106-Y128 HydrophobicContact CD1-CE1 3.84Å; L106-Y128 WeakPolarHBondContact CD1-OH 3.26Å; L106-Y128 HydrophobicContact CD2-CD1 3.91Å; L106-Y128 HydrophobicContact CD2-CE1 3.48Å; L106-Y128 VanDerWaalsContact CD2-CE1 3.48Å; L106-Y128 HydrophobicContact CG-CE1 3.68Å; F124-Y128 WeakPolarHBondContact O-CB 3.32Å; F124-Y128 PolarHBondContact O-N 3.19Å; C125-Y128 WeakPolarHBondContact O-CB 3.27Å; C125-Y128 PolarHBondContact O-N 3.49Å; L126-Y128 VanDerWaalsContact C-N 3.26Å; L126-Y128 PolarHBondContact O-N 2.74Å; Y128-I131 PolarHBondContact O-N 3.45Å; Y128-G132 WeakPolarHBondContact O-CA 3.21Å; Y128-G132 PolarHBondContact O-N 3.45Å
129C94.4Very high92.1Very high19 Ų1987.5 Ų87.513%0.12844%0.444CS..Hα-helixtrans-66.7-39.6178.6-69.40000113T105 C125 L126 I131 G132 I133T105-C129 WeakPolarHBondContact CG2-SG 3.24Å; C125-C129 WeakPolarHBondContact O-CB 3.39Å; C125-C129 PolarHBondContact O-N 3.47Å; C125-C129 PolarHBondContact O-SG 3.48Å; L126-C129 PolarHBondContact O-N 2.92Å; L126-C129 VanDerWaalsContact O-N 3.15Å; C129-I131 PolarHBondContact O-N 3.47Å; C129-G132 PolarHBondContact O-N 3.01Å; C129-I133 HydrophobicContact CB-CD1 3.81Å; C129-I133 HydrophobicContact CB-CG1 4.31Å; C129-I133 WeakPolarHBondContact O-CB 3.37Å; C129-I133 VanDerWaalsContact O-CG1 3.27Å; C129-I133 WeakPolarHBondContact O-CG1 3.32Å; C129-I133 PolarHBondContact O-N 2.81Å
130I95.2Very high92.3Very high114 Ų11477.4 Ų77.459%0.58541%0.407SS*.Hα-helixtrans-58.4-37.6179.7-70.6166.8000111.3L126 P134L126-I130 HydrophobicContact CG-CD1 4.23Å; L126-I130 WeakPolarHBondContact O-CG1 3.16Å; L126-I130 PolarHBondContact O-N 3.17Å; I130-P134 WeakPolarHBondContact O-CD 3.11Å; I130-P134 WeakPolarHBondContact O-CG 3.46Å
131I95.2Very high92.2Very high130 Ų13071.8 Ų71.867%0.66739%0.386SS*.Hα-helixtrans-87.8-42.1178.8-59172.8000110.9Y128 C129Y128-I131 PolarHBondContact O-N 3.45Å; C129-I131 PolarHBondContact O-N 3.47Å
132G94.5Very high92.3Very high9 Ų975.4 Ų75.49%0.09340%0.402CS..Hα-helixtrans-73.5-39.6-171.800000114Y128 C129 L135 V136Y128-G132 WeakPolarHBondContact O-CA 3.21Å; Y128-G132 PolarHBondContact O-N 3.45Å; C129-G132 PolarHBondContact O-N 3.01Å; G132-L135 PolarHBondContact O-N 3.4Å; G132-V136 WeakPolarHBondContact O-CG2 3.36Å; G132-V136 PolarHBondContact O-N 3.02Å
133I93.6Very high92.3Very high47 Ų4771.5 Ų71.524%0.24139%0.393CS..Hα-helixtrans-62-50.6-178-65.8167.3000111.1T108 C129 L135 V136 L137T108-I133 HydrophobicContact CG2-CD1 3.94Å; T108-I133 HydrophobicContact CG2-CG1 4.07Å; T108-I133 HydrophobicContact CG2-CG2 3.99Å; C129-I133 HydrophobicContact CB-CD1 3.81Å; C129-I133 HydrophobicContact CB-CG1 4.31Å; C129-I133 WeakPolarHBondContact O-CB 3.37Å; C129-I133 VanDerWaalsContact O-CG1 3.27Å; C129-I133 WeakPolarHBondContact O-CG1 3.32Å; C129-I133 PolarHBondContact O-N 2.81Å; I133-L135 VanDerWaalsContact C-N 3.27Å; I133-L135 PolarHBondContact O-N 2.81Å; I133-V136 PolarHBondContact O-N 3.47Å; I133-L137 HydrophobicContact CG2-CD1 3.91Å; I133-L137 HydrophobicContact CG2-CG 4.24Å; I133-L137 WeakPolarHBondContact O-CG 3.21Å; I133-L137 PolarHBondContact O-N 3.47Å
134P94.6Very high91.9Very high68 Ų6867.5 Ų67.544%0.44237%0.369SS..Hα-helixtrans-57.4-39.7175.6-25.834.9000113.1I130 L137 V138I130-P134 WeakPolarHBondContact O-CD 3.11Å; I130-P134 WeakPolarHBondContact O-CG 3.46Å; P134-L137 PolarHBondContact O-N 2.91Å; P134-V138 WeakPolarHBondContact O-CG2 3.26Å; P134-V138 PolarHBondContact O-N 3Å
135L93.4Very high91.5Very high109 Ų10966.2 Ų66.257%0.57136%0.363SS*.Hα-helixtrans-65.8-43.2178.4-175.464.8000111.5G132 I133 V138 T139G132-L135 PolarHBondContact O-N 3.4Å; I133-L135 VanDerWaalsContact C-N 3.27Å; I133-L135 PolarHBondContact O-N 2.81Å; L135-V138 PolarHBondContact O-N 2.67Å; L135-T139 HydrophobicContact CD1-CG2 4.38Å; L135-T139 WeakPolarHBondContact O-CB 3.38Å; L135-T139 VanDerWaalsContact O-CG2 3.25Å; L135-T139 WeakPolarHBondContact O-CG2 3.33Å; L135-T139 PolarHBondContact O-N 3.28Å; L135-T139 PolarHBondContact O-OG1 3.22Å
136V90.7Very high91.4Very high26 Ų2673 Ų7316%0.15839%0.391CS..Hα-helixtrans-65.8-40.3175.8169.90000111.3L106 T107 G132 I133 T139 T140L106-V136 HydrophobicContact CB-CG2 3.85Å; L106-V136 HydrophobicContact CD1-CG2 3.99Å; L106-V136 HydrophobicContact CG-CG2 4.47Å; T107-V136 HydrophobicContact CG2-CG1 4.13Å; G132-V136 WeakPolarHBondContact O-CG2 3.36Å; G132-V136 PolarHBondContact O-N 3.02Å; I133-V136 PolarHBondContact O-N 3.47Å; V136-T139 WeakPolarHBondContact CA-OG1 3.11Å; V136-T139 PolarHBondContact O-N 2.9Å; V136-T139 PolarHBondContact O-OG1 2.89Å; V136-T139 VanDerWaalsContact O-OG1 3.06Å; V136-T140 HydrophobicContact CG1-CG2 4Å; V136-T140 VanDerWaalsContact O-CB 3.29Å; V136-T140 WeakPolarHBondContact O-CB 3.04Å; V136-T140 WeakPolarHBondContact O-CG2 3.46Å; V136-T140 PolarHBondContact O-N 3.41Å; V136-T140 PolarHBondContact O-OG1 2.99Å
137L89.8Confident90.9Very high105 Ų10570.6 Ų70.655%0.5538%0.377SS..Hα-helixtrans-61.8-45.6175.6-71.5173.6000112.2I133 P134 T140 A141I133-L137 HydrophobicContact CG2-CD1 3.91Å; I133-L137 HydrophobicContact CG2-CG 4.24Å; I133-L137 WeakPolarHBondContact O-CG 3.21Å; I133-L137 PolarHBondContact O-N 3.47Å; P134-L137 PolarHBondContact O-N 2.91Å; L137-T140 WeakPolarHBondContact CA-OG1 3.15Å; L137-T140 PolarHBondContact O-OG1 3.08Å; L137-A141 WeakPolarHBondContact O-CB 3.49Å; L137-A141 PolarHBondContact O-N 3.11Å; L137-A141 VanDerWaalsContact O-N 3.08Å
138V91.4Very high90.3Very high85 Ų8569.3 Ų69.352%0.51537%0.369SS..Hα-helixtrans-66.7-44178.5171.80000111.4P134 L135 N142P134-V138 WeakPolarHBondContact O-CG2 3.26Å; P134-V138 PolarHBondContact O-N 3Å; L135-V138 PolarHBondContact O-N 2.67Å; V138-N142 PolarHBondContact O-N 3.03Å; V138-N142 VanDerWaalsContact O-N 3.11Å; V138-N142 PolarHBondContact O-ND2 3.2Å
139T91.1Very high89.8Confident66 Ų6667.4 Ų67.441%0.40537%0.374SS..Hα-helixtrans-67.4-43.9-179.6520000111.7L135 V136 A141 N142 V143L135-T139 HydrophobicContact CD1-CG2 4.38Å; L135-T139 WeakPolarHBondContact O-CB 3.38Å; L135-T139 VanDerWaalsContact O-CG2 3.25Å; L135-T139 WeakPolarHBondContact O-CG2 3.33Å; L135-T139 PolarHBondContact O-N 3.28Å; L135-T139 PolarHBondContact O-OG1 3.22Å; V136-T139 WeakPolarHBondContact CA-OG1 3.11Å; V136-T139 PolarHBondContact O-N 2.9Å; V136-T139 PolarHBondContact O-OG1 2.89Å; V136-T139 VanDerWaalsContact O-OG1 3.06Å; T139-A141 PolarHBondContact O-N 3Å; T139-N142 PolarHBondContact O-N 3.42Å; T139-V143 VanDerWaalsContact O-CG2 3.27Å; T139-V143 WeakPolarHBondContact O-CG2 3.4Å; T139-V143 PolarHBondContact O-N 3.39Å
140T89Confident89.3Confident8 Ų868.1 Ų68.15%0.04938%0.384CS..Hα-helixtrans-61.4-42.7175.851.40000112.1V136 L137 N142 V143 A144 F248 L251V136-T140 HydrophobicContact CG1-CG2 4Å; V136-T140 VanDerWaalsContact O-CB 3.29Å; V136-T140 WeakPolarHBondContact O-CB 3.04Å; V136-T140 WeakPolarHBondContact O-CG2 3.46Å; V136-T140 PolarHBondContact O-N 3.41Å; V136-T140 PolarHBondContact O-OG1 2.99Å; L137-T140 WeakPolarHBondContact CA-OG1 3.15Å; L137-T140 PolarHBondContact O-OG1 3.08Å; T140-N142 VanDerWaalsContact C-N 3.34Å; T140-N142 PolarHBondContact O-N 3.12Å; T140-V143 PolarHBondContact O-N 3.44Å; T140-A144 VanDerWaalsContact O-CB 3.27Å; T140-A144 WeakPolarHBondContact O-CB 3.08Å; T140-A144 PolarHBondContact O-N 3.21Å; T140-F248 HydrophobicContact CG2-CE2 4.5Å; T140-L251 HydrophobicContact CG2-CD2 4.03Å
141A87.8Confident88.7Confident32 Ų3266.4 Ų66.426%0.26438%0.379SS..Hα-helixtrans-61.3-40.1175.500000112.8L137 T139 K145L137-A141 WeakPolarHBondContact O-CB 3.49Å; L137-A141 PolarHBondContact O-N 3.11Å; L137-A141 VanDerWaalsContact O-N 3.08Å; T139-A141 PolarHBondContact O-N 3Å; A141-K145 WeakPolarHBondContact O-CG 3.37Å; A141-K145 PolarHBondContact O-N 3.08Å; A141-K145 VanDerWaalsContact O-N 3.13Å
142N89.3Confident88Confident91 Ų9168 Ų6849%0.48738%0.378SS..Hα-helixtrans-69.1-41.5177.2-72.2-21.9000112.1V138 T139 T140 K145 F146V138-N142 PolarHBondContact O-N 3.03Å; V138-N142 VanDerWaalsContact O-N 3.11Å; V138-N142 PolarHBondContact O-ND2 3.2Å; T139-N142 PolarHBondContact O-N 3.42Å; T140-N142 VanDerWaalsContact C-N 3.34Å; T140-N142 PolarHBondContact O-N 3.12Å; N142-K145 PolarHBondContact O-N 2.91Å; N142-F146 PolarHBondContact O-N 3.4Å; N142-F146 VanDerWaalsContact O-N 3.14Å
143V89.1Confident87.6Confident58 Ų5873.2 Ų73.235%0.35240%0.398SS..Hα-helixtrans-65.3-41.1176.1176.60000110.8T139 T140 K145 F146 M147 L252T139-V143 VanDerWaalsContact O-CG2 3.27Å; T139-V143 WeakPolarHBondContact O-CG2 3.4Å; T139-V143 PolarHBondContact O-N 3.39Å; T140-V143 PolarHBondContact O-N 3.44Å; V143-K145 VanDerWaalsContact C-N 3.34Å; V143-K145 PolarHBondContact O-N 3.34Å; V143-F146 WeakPolarHBondContact O-CB 3.31Å; V143-F146 PolarHBondContact O-N 2.93Å; V143-F146 VanDerWaalsContact O-N 3.15Å; V143-M147 HydrophobicContact CG1-SD 4.42Å; V143-M147 PolarHBondContact O-N 3.43Å; V143-L252 HydrophobicContact CB-CD2 3.75Å; V143-L252 HydrophobicContact CG1-CD1 3.66Å; V143-L252 HydrophobicContact CG1-CD2 3.56Å; V143-L252 HydrophobicContact CG1-CG 4.26Å
144A85.8Confident87Confident1 Ų176.6 Ų76.61%0.00842%0.416CS..Hα-helixtrans-58.2-43.5175.200000112.1T140 F146 M147 S148 T255 M256T140-A144 VanDerWaalsContact O-CB 3.27Å; T140-A144 WeakPolarHBondContact O-CB 3.08Å; T140-A144 PolarHBondContact O-N 3.21Å; A144-F146 PolarHBondContact O-N 3.36Å; A144-M147 PolarHBondContact O-N 3.29Å; A144-S148 PolarHBondContact O-N 3.35Å; A144-T255 WeakPolarHBondContact CB-OG1 3.38Å; A144-M256 HydrophobicContact CB-CG 3.73Å; A144-M256 VanDerWaalsContact O-CG 3.26Å; A144-M256 WeakPolarHBondContact O-CG 3.25Å
145K84.4Confident86.4Confident122 Ų12279.5 Ų79.553%0.5342%0.419SS..Hα-helixtrans-62.6-39.8174.5-72.3171.5-175172.70112.9A141 N142 V143 S148 A149A141-K145 WeakPolarHBondContact O-CG 3.37Å; A141-K145 PolarHBondContact O-N 3.08Å; A141-K145 VanDerWaalsContact O-N 3.13Å; N142-K145 PolarHBondContact O-N 2.91Å; V143-K145 VanDerWaalsContact C-N 3.34Å; V143-K145 PolarHBondContact O-N 3.34Å; K145-S148 PolarHBondContact O-N 3.49Å; K145-S148 PolarHBondContact O-OG 2.9Å; K145-A149 PolarHBondContact O-N 2.63Å
146F87.8Confident86Confident165 Ų16576.9 Ų76.972%0.72441%0.407SS*.Hα-helixtrans-64.1-43.6174.9178.3-99.2000111.3N142 V143 A144 S148 A149 G150N142-F146 PolarHBondContact O-N 3.4Å; N142-F146 VanDerWaalsContact O-N 3.14Å; V143-F146 WeakPolarHBondContact O-CB 3.31Å; V143-F146 PolarHBondContact O-N 2.93Å; V143-F146 VanDerWaalsContact O-N 3.15Å; A144-F146 PolarHBondContact O-N 3.36Å; F146-S148 PolarHBondContact O-N 3.2Å; F146-A149 PolarHBondContact O-N 3.4Å; F146-G150 PolarHBondContact O-N 3.34Å; F146-G150 VanDerWaalsContact O-N 3.16Å
147M83.2Confident85.7Confident56 Ų5681.3 Ų81.328%0.27643%0.425SS..Hα-helixtrans-64-37.7176-74-175.563.100112.6V143 A144 A149 G150 V151 L252 M256V143-M147 HydrophobicContact CG1-SD 4.42Å; V143-M147 PolarHBondContact O-N 3.43Å; A144-M147 PolarHBondContact O-N 3.29Å; M147-A149 PolarHBondContact O-N 2.79Å; M147-G150 PolarHBondContact O-N 2.83Å; M147-G150 VanDerWaalsContact O-N 3.17Å; M147-V151 WeakPolarHBondContact O-CG2 3.45Å; M147-V151 PolarHBondContact O-N 3.48Å; M147-L252 HydrophobicContact CE-CB 4.32Å; M147-L252 HydrophobicContact SD-CB 3.64Å; M147-L252 HydrophobicContact SD-CD1 3.53Å; M147-L252 VanDerWaalsContact SD-CD1 3.53Å; M147-L252 HydrophobicContact SD-CG 4.11Å; M147-M256 HydrophobicContact CB-CE 4.17Å; M147-M256 HydrophobicContact CB-SD 3.39Å; M147-M256 WeakPolarHBondContact CB-SD 3.28Å; M147-M256 HydrophobicContact CE-SD 4.3Å
148S83.2Confident85.6Confident45 Ų4582.6 Ų82.632%0.31542%0.423SS..Hα-helixtrans-64.6-38.4178.174.60000112.6A144 K145 F146 V151 Y152A144-S148 PolarHBondContact O-N 3.35Å; K145-S148 PolarHBondContact O-N 3.49Å; K145-S148 PolarHBondContact O-OG 2.9Å; F146-S148 PolarHBondContact O-N 3.2Å; S148-V151 PolarHBondContact O-N 3.27Å; S148-Y152 VanDerWaalsContact O-CB 3.31Å; S148-Y152 WeakPolarHBondContact O-CB 3.03Å; S148-Y152 PolarHBondContact O-N 3.41Å
149A83.6Confident85.2Confident59 Ų5981.3 Ų81.349%0.48841%0.413SS..Hα-helixtrans-62.6-42.9171.700000111.7K145 F146 M147 Y152 F153K145-A149 PolarHBondContact O-N 2.63Å; F146-A149 PolarHBondContact O-N 3.4Å; M147-A149 PolarHBondContact O-N 2.79Å; A149-Y152 PolarHBondContact O-N 2.82Å; A149-F153 PolarHBondContact O-N 3.34Å
150G82.5Confident85.1Confident34 Ų3482.9 Ų82.935%0.35142%0.418SS..Hα-helixtrans-61.3-46.6175.100000112.9F146 M147 F153 L154F146-G150 PolarHBondContact O-N 3.34Å; F146-G150 VanDerWaalsContact O-N 3.16Å; M147-G150 PolarHBondContact O-N 2.83Å; M147-G150 VanDerWaalsContact O-N 3.17Å; G150-F153 PolarHBondContact O-N 3.36Å; G150-L154 PolarHBondContact O-N 3.27Å
151V81.9Confident85.2Confident79 Ų7987.2 Ų87.248%0.47944%0.441SS..Hα-helixtrans-63.2-42.5176.5171.70000111M147 S148 F153 L154 Y155 M256M147-V151 WeakPolarHBondContact O-CG2 3.45Å; M147-V151 PolarHBondContact O-N 3.48Å; S148-V151 PolarHBondContact O-N 3.27Å; V151-F153 VanDerWaalsContact C-N 3.34Å; V151-F153 PolarHBondContact O-N 2.82Å; V151-L154 PolarHBondContact O-N 2.92Å; V151-Y155 VanDerWaalsContact O-CB 3.29Å; V151-Y155 WeakPolarHBondContact O-CB 3.08Å; V151-Y155 PolarHBondContact O-N 3.07Å; V151-M256 HydrophobicContact CB-CE 4.34Å; V151-M256 HydrophobicContact CG2-CE 3.96Å
152Y81.3Confident85.1Confident162 Ų16292.7 Ų92.764%0.63545%0.454SS*.Hα-helixtrans-59.6-44.8176.1178.3-100.2000111.7S148 A149 Y155 V156S148-Y152 VanDerWaalsContact O-CB 3.31Å; S148-Y152 WeakPolarHBondContact O-CB 3.03Å; S148-Y152 PolarHBondContact O-N 3.41Å; A149-Y152 PolarHBondContact O-N 2.82Å; Y152-Y155 PolarHBondContact O-N 3.44Å; Y152-V156 HydrophobicContact CD1-CG2 4.37Å; Y152-V156 HydrophobicContact CE1-CG2 3.95Å; Y152-V156 HydrophobicContact CE2-CG2 4.11Å; Y152-V156 WeakPolarHBondContact O-CG2 3.5Å; Y152-V156 PolarHBondContact O-N 3.23Å
153F85.7Confident84.9Confident120 Ų12093.1 Ų93.153%0.52645%0.454SS..Hα-helixtrans-61.4-45.2175.9176.5-101.5000112.7A149 G150 V151 Y155 V156 K157A149-F153 PolarHBondContact O-N 3.34Å; G150-F153 PolarHBondContact O-N 3.36Å; V151-F153 VanDerWaalsContact C-N 3.34Å; V151-F153 PolarHBondContact O-N 2.82Å; F153-Y155 VanDerWaalsContact C-N 3.34Å; F153-V156 PolarHBondContact O-N 2.95Å; F153-K157 HydrophobicContact CD1-CD 4.31Å; F153-K157 HydrophobicContact CE1-CD 3.74Å; F153-K157 HydrophobicContact CE2-CD 4.48Å; F153-K157 HydrophobicContact CZ-CD 3.86Å; F153-K157 PolarHBondContact O-N 3.43Å
154L82.3Confident84.8Confident118 Ų11897.2 Ų97.262%0.61847%0.467SS*.Hα-helixtrans-60.9-43.1174.7-79.1157.1000111.5G150 V151 K157 Y158G150-L154 PolarHBondContact O-N 3.27Å; V151-L154 PolarHBondContact O-N 2.92Å; L154-K157 PolarHBondContact O-N 2.89Å; L154-Y158 WeakPolarHBondContact O-CB 3.17Å; L154-Y158 PolarHBondContact O-N 2.95Å
155Y82.1Confident84.8Confident129 Ų129102.6 Ų102.651%0.50649%0.493SS..Hα-helixtrans-63.2-46.9178.9178.3-111.1000112.1V151 Y152 F153 K157 Y158 L159V151-Y155 VanDerWaalsContact O-CB 3.29Å; V151-Y155 WeakPolarHBondContact O-CB 3.08Å; V151-Y155 PolarHBondContact O-N 3.07Å; Y152-Y155 PolarHBondContact O-N 3.44Å; F153-Y155 VanDerWaalsContact C-N 3.34Å; Y155-K157 PolarHBondContact O-N 3.12Å; Y155-Y158 WeakPolarHBondContact O-CB 3.31Å; Y155-Y158 PolarHBondContact O-N 3.11Å; Y155-L159 HydrophobicContact CD1-CD1 3.99Å; Y155-L159 HydrophobicContact CD2-CG 4.46Å; Y155-L159 HydrophobicContact CE1-CD1 3.4Å; Y155-L159 VanDerWaalsContact CE1-CD1 3.4Å; Y155-L159 HydrophobicContact CE1-CG 4.15Å; Y155-L159 HydrophobicContact CE2-CD1 4.19Å; Y155-L159 HydrophobicContact CE2-CD2 4.16Å; Y155-L159 HydrophobicContact CE2-CG 4.07Å; Y155-L159 WeakPolarHBondContact O-CG 3.29Å; Y155-L159 PolarHBondContact O-N 3.41Å
156V83.9Confident84.9Confident53 Ų53102.8 Ų102.832%0.32149%0.494SS..Hα-helixtrans-61.3-44.7176.5172.10000110.8Y152 F153 Y158 L159 L160Y152-V156 HydrophobicContact CD1-CG2 4.37Å; Y152-V156 HydrophobicContact CE1-CG2 3.95Å; Y152-V156 HydrophobicContact CE2-CG2 4.11Å; Y152-V156 WeakPolarHBondContact O-CG2 3.5Å; Y152-V156 PolarHBondContact O-N 3.23Å; F153-V156 PolarHBondContact O-N 2.95Å; V156-Y158 VanDerWaalsContact C-N 3.35Å; V156-Y158 PolarHBondContact O-N 2.92Å; V156-L159 PolarHBondContact O-N 3.44Å; V156-L160 HydrophobicContact CG1-CD1 4.14Å; V156-L160 VanDerWaalsContact O-CG 3.3Å; V156-L160 WeakPolarHBondContact O-CG 3.33Å; V156-L160 PolarHBondContact O-N 3.15Å
157K84.2Confident84.8Confident119 Ų119102.1 Ų102.152%0.51749%0.487SS..Hα-helixtrans-61-42.7175-83-172.3167.9-179.30112.6F153 L154 Y155 L160 L161F153-K157 HydrophobicContact CD1-CD 4.31Å; F153-K157 HydrophobicContact CE1-CD 3.74Å; F153-K157 HydrophobicContact CE2-CD 4.48Å; F153-K157 HydrophobicContact CZ-CD 3.86Å; F153-K157 PolarHBondContact O-N 3.43Å; L154-K157 PolarHBondContact O-N 2.89Å; Y155-K157 PolarHBondContact O-N 3.12Å; K157-L160 PolarHBondContact O-N 2.72Å; K157-L161 WeakPolarHBondContact O-CB 3.19Å; K157-L161 PolarHBondContact O-N 3.37Å
158Y87.9Confident84.9Confident133 Ų133101.9 Ų101.952%0.52249%0.494SS..Hα-helixtrans-60.2-46.5176.3166.6-98.8000111.4L154 Y155 V156 L160 L161 R162L154-Y158 WeakPolarHBondContact O-CB 3.17Å; L154-Y158 PolarHBondContact O-N 2.95Å; Y155-Y158 WeakPolarHBondContact O-CB 3.31Å; Y155-Y158 PolarHBondContact O-N 3.11Å; V156-Y158 VanDerWaalsContact C-N 3.35Å; V156-Y158 PolarHBondContact O-N 2.92Å; Y158-L160 PolarHBondContact O-N 3.41Å; Y158-L161 PolarHBondContact O-N 2.92Å; Y158-R162 WeakPolarHBondContact O-CB 3.29Å; Y158-R162 PolarHBondContact O-N 2.98Å
159L83.1Confident85.1Confident58 Ų58104.9 Ų104.930%0.30451%0.506SS..Hα-helixtrans-60.4-44.5177-71.9-179.8000111.9Y155 V156 L161 R162 E163Y155-L159 HydrophobicContact CD1-CD1 3.99Å; Y155-L159 HydrophobicContact CD2-CG 4.46Å; Y155-L159 HydrophobicContact CE1-CD1 3.4Å; Y155-L159 VanDerWaalsContact CE1-CD1 3.4Å; Y155-L159 HydrophobicContact CE1-CG 4.15Å; Y155-L159 HydrophobicContact CE2-CD1 4.19Å; Y155-L159 HydrophobicContact CE2-CD2 4.16Å; Y155-L159 HydrophobicContact CE2-CG 4.07Å; Y155-L159 WeakPolarHBondContact O-CG 3.29Å; Y155-L159 PolarHBondContact O-N 3.41Å; V156-L159 PolarHBondContact O-N 3.44Å; L159-L161 VanDerWaalsContact C-N 3.33Å; L159-L161 PolarHBondContact O-N 2.95Å; L159-R162 PolarHBondContact O-N 3.34Å; L159-E163 PolarHBondContact O-N 2.71Å
160L89.5Confident84.9Confident98 Ų98104.7 Ų104.751%0.51350%0.496SS..Hα-helixtrans-62.4-40.2176.6-68.8173000112V156 K157 Y158 K164V156-L160 HydrophobicContact CG1-CD1 4.14Å; V156-L160 VanDerWaalsContact O-CG 3.3Å; V156-L160 WeakPolarHBondContact O-CG 3.33Å; V156-L160 PolarHBondContact O-N 3.15Å; K157-L160 PolarHBondContact O-N 2.72Å; Y158-L160 PolarHBondContact O-N 3.41Å; L160-K164 WeakPolarHBondContact O-CG 3.44Å; L160-K164 PolarHBondContact O-N 2.88Å
161L90.7Very high84.9Confident99 Ų99109 Ų10952%0.51851%0.507SS..Hα-helixtrans-67.7-42.3176.5-174.766.4000111.5K157 Y158 L159 E163 K164 M165K157-L161 WeakPolarHBondContact O-CB 3.19Å; K157-L161 PolarHBondContact O-N 3.37Å; Y158-L161 PolarHBondContact O-N 2.92Å; L159-L161 VanDerWaalsContact C-N 3.33Å; L159-L161 PolarHBondContact O-N 2.95Å; L161-E163 VanDerWaalsContact C-N 3.35Å; L161-E163 PolarHBondContact O-N 3.39Å; L161-K164 PolarHBondContact O-N 3.46Å; L161-M165 HydrophobicContact CG-CE 4.28Å; L161-M165 PolarHBondContact O-N 3.36Å
162R85.4Confident84.9Confident147 Ų147110.4 Ų110.456%0.55551%0.511SS*.Hα-helixtrans-59.2-44.7176.5-179.4-175.6173.7-160.9-0.4111.1Y158 L159 K164 M165 F166Y158-R162 WeakPolarHBondContact O-CB 3.29Å; Y158-R162 PolarHBondContact O-N 2.98Å; L159-R162 PolarHBondContact O-N 3.34Å; R162-K164 PolarHBondContact O-N 3.47Å; R162-M165 PolarHBondContact O-N 3.1Å; R162-F166 VanDerWaalsContact O-CB 3.26Å; R162-F166 WeakPolarHBondContact O-CB 3.5Å; R162-F166 PolarHBondContact O-N 3.08Å
163E86.6Confident84.7Confident101 Ų101108.6 Ų108.647%0.47251%0.507SS..Hα-helixtrans-62.2-42.4175.8-79.1-166.6-172.300112.6L159 L161 F166 R167L159-E163 PolarHBondContact O-N 2.71Å; L161-E163 VanDerWaalsContact C-N 3.35Å; L161-E163 PolarHBondContact O-N 3.39Å; E163-F166 PolarHBondContact O-N 3.37Å; E163-R167 WeakPolarHBondContact O-CG 3.35Å; E163-R167 PolarHBondContact O-N 2.9Å; E163-R167 IonicContact OE2-NH2 3.85Å; E163-R167 PolarHBondContact OE2-NH2 3.27Å
164K86.4Confident84.2Confident144 Ų144108.3 Ų108.363%0.62651%0.507SS*.Hα-helixtrans-61.4-47.3176.3-72.6176.5-179.9-177.90111.4L160 L161 R162 R167 A168L160-K164 WeakPolarHBondContact O-CG 3.44Å; L160-K164 PolarHBondContact O-N 2.88Å; L161-K164 PolarHBondContact O-N 3.46Å; R162-K164 PolarHBondContact O-N 3.47Å; K164-R167 PolarHBondContact O-N 2.89Å; K164-A168 WeakPolarHBondContact O-CB 3.44Å; K164-A168 PolarHBondContact O-N 2.94Å
165M85.6Confident83.8Confident113 Ų113110.8 Ų110.856%0.55751%0.508SS*.Hα-helixtrans-62.7-41.3175.3-83.7-164.7-66.800112.1L161 R162 R167 A168 L169L161-M165 HydrophobicContact CG-CE 4.28Å; L161-M165 PolarHBondContact O-N 3.36Å; R162-M165 PolarHBondContact O-N 3.1Å; M165-R167 PolarHBondContact O-N 3.4Å; M165-A168 PolarHBondContact O-N 2.92Å; M165-L169 VanDerWaalsContact O-CB 3.28Å; M165-L169 WeakPolarHBondContact O-CB 3.43Å; M165-L169 PolarHBondContact O-N 3.47Å
166F86.1Confident83.1Confident127 Ų127111.5 Ų111.556%0.55751%0.511SS*.Hα-helixtrans-63.5-42178.3-176.7-105.7000111.6R162 E163 N170R162-F166 VanDerWaalsContact O-CB 3.26Å; R162-F166 WeakPolarHBondContact O-CB 3.5Å; R162-F166 PolarHBondContact O-N 3.08Å; E163-F166 PolarHBondContact O-N 3.37Å; F166-N170 WeakPolarHBondContact CD1-ND2 3.26Å; F166-N170 WeakPolarHBondContact CE1-ND2 3.35Å; F166-N170 WeakPolarHBondContact CZ-ND2 3.4Å; F166-N170 VanDerWaalsContact O-CB 3.31Å; F166-N170 WeakPolarHBondContact O-CB 3.41Å; F166-N170 VanDerWaalsContact O-CG 3.3Å; F166-N170 PolarHBondContact O-N 3.13Å; F166-N170 PolarHBondContact O-ND2 2.89Å
167R86.8Confident82Confident151 Ų151113.9 Ų113.957%0.5752%0.521SS*.Hα-helixtrans-63.8-45.5172.8-68.9-178.4-133.4-176.61.8111.5E163 K164 M165 N170 H171E163-R167 WeakPolarHBondContact O-CG 3.35Å; E163-R167 PolarHBondContact O-N 2.9Å; E163-R167 IonicContact OE2-NH2 3.85Å; E163-R167 PolarHBondContact OE2-NH2 3.27Å; K164-R167 PolarHBondContact O-N 2.89Å; M165-R167 PolarHBondContact O-N 3.4Å; R167-N170 PolarHBondContact O-N 3.39Å; R167-H171 PolarHBondContact O-CD2 2.83Å; R167-H171 PolarHBondContact O-N 3.5Å
168A84.5Confident81.1Confident51 Ų51117.9 Ų117.942%0.42153%0.533SS..Hα-helixtrans-61.5-45.5177.900000112.2K164 M165 H171 L172K164-A168 WeakPolarHBondContact O-CB 3.44Å; K164-A168 PolarHBondContact O-N 2.94Å; M165-A168 PolarHBondContact O-N 2.92Å; A168-H171 WeakPolarHBondContact O-CB 3.21Å; A168-H171 PolarHBondContact O-N 3.43Å; A168-L172 WeakPolarHBondContact O-CG 3.45Å; A168-L172 PolarHBondContact O-N 3.45Å
169L86.8Confident80Confident108 Ų108118.1 Ų118.157%0.56554%0.54SS*.Hα-helixtrans-64.4-42.9176.3-175.469.3000111.2M165 H171 L172 K173M165-L169 VanDerWaalsContact O-CB 3.28Å; M165-L169 WeakPolarHBondContact O-CB 3.43Å; M165-L169 PolarHBondContact O-N 3.47Å; L169-H171 VanDerWaalsContact C-N 3.31Å; L169-H171 PolarHBondContact O-N 3.07Å; L169-L172 PolarHBondContact O-N 3.28Å; L169-K173 VanDerWaalsContact O-CB 3.24Å; L169-K173 WeakPolarHBondContact O-CB 3.49Å; L169-K173 PolarHBondContact O-N 3.47Å
170N79.1Confident78.6Confident54 Ų54119.6 Ų119.629%0.28955%0.548SS..Hα-helixtrans-63.2-37.7175.2-78.9-18.9000112F166 R167 Q174F166-N170 WeakPolarHBondContact CD1-ND2 3.26Å; F166-N170 WeakPolarHBondContact CE1-ND2 3.35Å; F166-N170 WeakPolarHBondContact CZ-ND2 3.4Å; F166-N170 VanDerWaalsContact O-CB 3.31Å; F166-N170 WeakPolarHBondContact O-CB 3.41Å; F166-N170 VanDerWaalsContact O-CG 3.3Å; F166-N170 PolarHBondContact O-N 3.13Å; F166-N170 PolarHBondContact O-ND2 2.89Å; R167-N170 PolarHBondContact O-N 3.39Å; N170-Q174 WeakPolarHBondContact O-CB 3.47Å; N170-Q174 VanDerWaalsContact O-CG 3.29Å; N170-Q174 WeakPolarHBondContact O-CG 3.24Å; N170-Q174 PolarHBondContact O-N 3.08Å
171H83.3Confident76.9Confident126 Ų126121.3 Ų121.358%0.58356%0.563SS**Hα-helixtrans-62.3-44.3171.8-84.4-65.1000112.1R167 A168 L169 R175R167-H171 PolarHBondContact O-CD2 2.83Å; R167-H171 PolarHBondContact O-N 3.5Å; A168-H171 WeakPolarHBondContact O-CB 3.21Å; A168-H171 PolarHBondContact O-N 3.43Å; L169-H171 VanDerWaalsContact C-N 3.31Å; L169-H171 PolarHBondContact O-N 3.07Å; H171-R175 WeakPolarHBondContact O-CG 3.45Å; H171-R175 PolarHBondContact O-N 3.37Å
172L81.7Confident74.8Confident107 Ų107125.3 Ų125.356%0.5658%0.579SS**Hα-helixtrans-66.7-44.3176.7-70.2172.9000112.1A168 L169 Q174 R175 Y176A168-L172 WeakPolarHBondContact O-CG 3.45Å; A168-L172 PolarHBondContact O-N 3.45Å; L169-L172 PolarHBondContact O-N 3.28Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 2.97Å; L172-R175 CarbonylContact O-C 3.57Å; L172-R175 WeakPolarHBondContact O-CB 3.38Å; L172-R175 PolarHBondContact O-N 2.88Å; L172-R175 VanDerWaalsContact O-N 3.11Å; L172-Y176 PolarHBondContact O-N 3.41Å
173K76.3Confident73.2Confident125 Ų125122.6 Ų122.654%0.54359%0.587SS.*Hα-helixtrans-58.8-44.3175.3-177.3180179.3-179.80111.1L169 R175 Y176 I177L169-K173 VanDerWaalsContact O-CB 3.24Å; L169-K173 WeakPolarHBondContact O-CB 3.49Å; L169-K173 PolarHBondContact O-N 3.47Å; K173-R175 VanDerWaalsContact C-N 3.34Å; K173-R175 PolarHBondContact O-N 3.3Å; K173-Y176 PolarHBondContact O-N 2.85Å; K173-I177 HydrophobicContact CG-CD1 3.98Å; K173-I177 WeakPolarHBondContact O-CG1 3.47Å; K173-I177 PolarHBondContact O-N 3.22Å
174Q75.6Confident71.3Confident114 Ų114123.8 Ų123.853%0.53360%0.604SS.*Hα-helixtrans-63.2-38174.5-78.9-176.9-7.700112.4N170 L172 R178N170-Q174 WeakPolarHBondContact O-CB 3.47Å; N170-Q174 VanDerWaalsContact O-CG 3.29Å; N170-Q174 WeakPolarHBondContact O-CG 3.24Å; N170-Q174 PolarHBondContact O-N 3.08Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 2.97Å; Q174-R178 WeakPolarHBondContact O-CB 3.29Å; Q174-R178 PolarHBondContact O-N 2.62Å; Q174-R178 VanDerWaalsContact O-N 3.16Å
175R74.8Confident69.4Low170 Ų170126 Ų12664%0.64261%0.614SS**Hα-helixtrans-66.9-40.6173.8-73.6179102.11746.4111.9H171 L172 K173 R178 M179H171-R175 WeakPolarHBondContact O-CG 3.45Å; H171-R175 PolarHBondContact O-N 3.37Å; L172-R175 CarbonylContact O-C 3.57Å; L172-R175 WeakPolarHBondContact O-CB 3.38Å; L172-R175 PolarHBondContact O-N 2.88Å; L172-R175 VanDerWaalsContact O-N 3.11Å; K173-R175 VanDerWaalsContact C-N 3.34Å; K173-R175 PolarHBondContact O-N 3.3Å; R175-R178 PolarHBondContact O-N 2.86Å; R175-M179 HydrophobicContact CB-CE 4.25Å; R175-M179 WeakPolarHBondContact O-CG 3.46Å; R175-M179 PolarHBondContact O-N 2.94Å; R175-M179 VanDerWaalsContact O-N 3.09Å
176Y66.2Low67.8Low143 Ų143127.4 Ų127.456%0.56163%0.628SS**Hα-helixtrans-63.8-48.7177.1-179.4-94.6000112L172 K173 R178 M179 N180L172-Y176 PolarHBondContact O-N 3.41Å; K173-Y176 PolarHBondContact O-N 2.85Å; Y176-R178 PolarHBondContact O-N 3.33Å; Y176-M179 PolarHBondContact O-N 2.89Å; Y176-N180 VanDerWaalsContact CE2-ND2 3.26Å; Y176-N180 WeakPolarHBondContact CE2-ND2 3.47Å; Y176-N180 PolarHBondContact O-N 3.04Å
177I62.3Low66.2Low103 Ų103124.5 Ų124.553%0.52862%0.624SS.*Hα-helixtrans-59.3-33.6176-68.6168.5000111.5K173K173-I177 HydrophobicContact CG-CD1 3.98Å; K173-I177 WeakPolarHBondContact O-CG1 3.47Å; K173-I177 PolarHBondContact O-N 3.22Å
178R65Low64.8Low203 Ų203122.6 Ų122.677%0.76662%0.624SS**Hα-helixtrans-76.2-23.9178.1-158-175.6-62.6-171.9-1.1113.2Q174 R175 Y176Q174-R178 WeakPolarHBondContact O-CB 3.29Å; Q174-R178 PolarHBondContact O-N 2.62Å; Q174-R178 VanDerWaalsContact O-N 3.16Å; R175-R178 PolarHBondContact O-N 2.86Å; Y176-R178 PolarHBondContact O-N 3.33Å
179M63.7Low63.5Low139 Ų139128.1 Ų128.169%0.68564%0.641SS**Hα-helixtrans-96.6-30.2-177.8-72.6-169.9-70.400113.5R175 Y176R175-M179 HydrophobicContact CB-CE 4.25Å; R175-M179 WeakPolarHBondContact O-CG 3.46Å; R175-M179 PolarHBondContact O-N 2.94Å; R175-M179 VanDerWaalsContact O-N 3.09Å; Y176-M179 PolarHBondContact O-N 2.89Å
180N53.4Low62.1Low88 Ų88126.5 Ų126.547%0.47164%0.643SS.*  trans-121.394.7-177.6-71.3-13.2000110.2Y176 E182Y176-N180 VanDerWaalsContact CE2-ND2 3.26Å; Y176-N180 WeakPolarHBondContact CE2-ND2 3.47Å; Y176-N180 PolarHBondContact O-N 3.04Å; N180-E182 VanDerWaalsContact C-N 3.34Å
181V54.6Low61.1Low134 Ų134128 Ų12881%0.81265%0.652SS**  trans-84.1-7.6176.3171.90000112.4
182E46.4Very low59.8Low184 Ų184127.8 Ų127.886%0.8665%0.651SS**  trans-118.699.4-177.6-73.7171.4172.100110.9N180N180-E182 VanDerWaalsContact C-N 3.34Å
183A51.9Low58.6Low89 Ų89129.9 Ų129.974%0.73666%0.659SS**  trans-98.6125.2168.200000109.6
184P47.6Very low57.7Low127 Ų127129 Ų12983%0.82566%0.66SS**  trans-76.1136.3-178.129.6-32000111.5V186P184-V186 PolarHBondContact O-N 2.91Å
185K46.3Very low57Low190 Ų190128.2 Ų128.283%0.82666%0.659SS**  trans-90.719.8-172.1-72.7-177.7175.7176.80115.5
186V50.5Low56.5Low142 Ų142126.5 Ų126.586%0.86166%0.658SS**  trans-125.348.8-164.1-161.40000114.1P184P184-V186 PolarHBondContact O-N 2.91Å
187S54.2Low56.3Low67 Ų67122.7 Ų122.747%0.46965%0.653SS.*  trans-123.72.2165.476.90000115.2E189 D191S187-E189 PolarHBondContact O-N 3.27Å; S187-D191 VanDerWaalsContact O-CB 3.32Å; S187-D191 WeakPolarHBondContact O-CB 3.35Å; S187-D191 PolarHBondContact O-N 2.95Å; S187-D191 PolarHBondContact OG-OD2 3.29Å; S187-D191 VanDerWaalsContact OG-OD2 3.05Å
188I56.9Low56.1Low111 Ų111122.2 Ų122.257%0.56965%0.651SS**Hα-helixtrans-70.8-33.1-167.2-60.3172.7000113.6Q192I188-Q192 VanDerWaalsContact O-CG 3.26Å; I188-Q192 WeakPolarHBondContact O-CG 3.32Å; I188-Q192 PolarHBondContact O-N 3.37Å
189E57.6Low55.8Low166 Ų166117.9 Ų117.978%0.77664%0.639SS**Hα-helixtrans-82.2-38-174.9-71176.6179.800113.5S187 Q192 M193S187-E189 PolarHBondContact O-N 3.27Å; E189-Q192 PolarHBondContact O-N 3.15Å; E189-M193 PolarHBondContact O-N 2.8Å
190A56.3Low55.5Low75 Ų75115.7 Ų115.762%0.6263%0.633SS**Hα-helixtrans-69.8-36174.400000111.4L194A190-L194 WeakPolarHBondContact O-CB 3.5Å; A190-L194 PolarHBondContact O-N 3.46Å; A190-L194 VanDerWaalsContact O-N 3.11Å
191D58.3Low55.6Low86 Ų86116.3 Ų116.346%0.4664%0.637SS.*Hα-helixtrans-63.9-39.1175-72.5-23000111.1S187 L195S187-D191 VanDerWaalsContact O-CB 3.32Å; S187-D191 WeakPolarHBondContact O-CB 3.35Å; S187-D191 PolarHBondContact O-N 2.95Å; S187-D191 PolarHBondContact OG-OD2 3.29Å; S187-D191 VanDerWaalsContact OG-OD2 3.05Å; D191-L195 VanDerWaalsContact O-CB 3.26Å; D191-L195 WeakPolarHBondContact O-CB 3.29Å; D191-L195 PolarHBondContact O-N 3.36Å
192Q57.1Low55.7Low121 Ų121115.8 Ų115.857%0.56563%0.625SS**Hα-helixtrans-66.5-40.5179-79.5176.2-11.400113.5I188 E189 L195 Q196I188-Q192 VanDerWaalsContact O-CG 3.26Å; I188-Q192 WeakPolarHBondContact O-CG 3.32Å; I188-Q192 PolarHBondContact O-N 3.37Å; E189-Q192 PolarHBondContact O-N 3.15Å; Q192-L195 WeakPolarHBondContact O-CB 3.33Å; Q192-L195 PolarHBondContact O-N 3.36Å; Q192-Q196 PolarHBondContact O-N 3.34Å; Q192-Q196 VanDerWaalsContact O-N 3.09Å
193M55.1Low56.2Low151 Ų151115.5 Ų115.574%0.74462%0.617SS**Hα-helixtrans-74.8-33.4-179.5-160.6175.5137.300111.9E189 S197E189-M193 PolarHBondContact O-N 2.8Å; M193-S197 PolarHBondContact O-N 2.9Å; M193-S197 PolarHBondContact O-OG 3.24Å
194L57.8Low56.4Low105 Ų105116 Ų11655%0.5561%0.611SS.*Hα-helixtrans-72.9-35.4171.9-161.6138.9000111.3A190 Q196 S197 L198A190-L194 WeakPolarHBondContact O-CB 3.5Å; A190-L194 PolarHBondContact O-N 3.46Å; A190-L194 VanDerWaalsContact O-N 3.11Å; L194-Q196 PolarHBondContact O-N 3.29Å; L194-S197 PolarHBondContact O-OG 3.12Å; L194-S197 VanDerWaalsContact O-OG 3.1Å; L194-L198 HydrophobicContact CD2-CD1 3.47Å; L194-L198 VanDerWaalsContact CD2-CD1 3.47Å; L194-L198 HydrophobicContact CD2-CG 4.09Å; L194-L198 WeakPolarHBondContact O-CB 3.33Å; L194-L198 VanDerWaalsContact O-CG 3.29Å; L194-L198 WeakPolarHBondContact O-CG 3.29Å; L194-L198 PolarHBondContact O-N 3.5Å
195L61.9Low57Low98 Ų98119 Ų11951%0.51361%0.606SS.*Hα-helixtrans-58.8-47172.3-139.386000111.4D191 Q192 S197 L198 E199D191-L195 VanDerWaalsContact O-CB 3.26Å; D191-L195 WeakPolarHBondContact O-CB 3.29Å; D191-L195 PolarHBondContact O-N 3.36Å; Q192-L195 WeakPolarHBondContact O-CB 3.33Å; Q192-L195 PolarHBondContact O-N 3.36Å; L195-S197 PolarHBondContact O-N 2.98Å; L195-L198 PolarHBondContact O-N 3.22Å; L195-E199 WeakPolarHBondContact O-CB 3.42Å; L195-E199 VanDerWaalsContact O-CG 3.28Å; L195-E199 WeakPolarHBondContact O-CG 3.29Å; L195-E199 PolarHBondContact O-N 2.93Å
196Q63.4Low57.9Low134 Ų134114.5 Ų114.563%0.62659%0.591SS**Hα-helixtrans-70.8-32.5-174.5-165.6170.3-2.100113.2Q192 L194 T200Q192-Q196 PolarHBondContact O-N 3.34Å; Q192-Q196 VanDerWaalsContact O-N 3.09Å; L194-Q196 PolarHBondContact O-N 3.29Å; Q196-T200 PolarHBondContact O-N 2.93Å; Q196-T200 PolarHBondContact O-OG1 3.49Å; Q196-T200 VanDerWaalsContact O-OG1 3.09Å
197S61.3Low58.7Low64 Ų64110.3 Ų110.345%0.44857%0.568SS.*Hα-helixtrans-77.6-31.1173.952.60000112.8M193 L194 L195 T200 L201M193-S197 PolarHBondContact O-N 2.9Å; M193-S197 PolarHBondContact O-OG 3.24Å; L194-S197 PolarHBondContact O-OG 3.12Å; L194-S197 VanDerWaalsContact O-OG 3.1Å; L195-S197 PolarHBondContact O-N 2.98Å; S197-T200 PolarHBondContact O-OG1 2.97Å; S197-L201 WeakPolarHBondContact O-CB 3.33Å; S197-L201 PolarHBondContact O-N 3.48Å
198L59.7Low59.4Low93 Ų93110 Ų11049%0.48757%0.569SS.*Hα-helixtrans-68.7-44.1167.4-73.2177.7000111.6L194 L195 T200 L201 E202L194-L198 HydrophobicContact CD2-CD1 3.47Å; L194-L198 VanDerWaalsContact CD2-CD1 3.47Å; L194-L198 HydrophobicContact CD2-CG 4.09Å; L194-L198 WeakPolarHBondContact O-CB 3.33Å; L194-L198 VanDerWaalsContact O-CG 3.29Å; L194-L198 WeakPolarHBondContact O-CG 3.29Å; L194-L198 PolarHBondContact O-N 3.5Å; L195-L198 PolarHBondContact O-N 3.22Å; L198-T200 VanDerWaalsContact C-N 3.29Å; L198-T200 PolarHBondContact O-N 3.47Å; L198-L201 PolarHBondContact O-N 3.48Å; L198-E202 WeakPolarHBondContact O-CA 3.45Å; L198-E202 WeakPolarHBondContact O-CB 3.34Å; L198-E202 PolarHBondContact O-N 2.83Å
199E57.2Low60.1Low112 Ų112107.8 Ų107.852%0.52356%0.562SS.*Hα-helixtrans-57.2-39.9179.9-82.5175.9178.700112.7L195 Y203L195-E199 WeakPolarHBondContact O-CB 3.42Å; L195-E199 VanDerWaalsContact O-CG 3.28Å; L195-E199 WeakPolarHBondContact O-CG 3.29Å; L195-E199 PolarHBondContact O-N 2.93Å; E199-Y203 VanDerWaalsContact O-CB 3.27Å; E199-Y203 WeakPolarHBondContact O-CB 3.44Å; E199-Y203 PolarHBondContact O-N 2.96Å
200T57.5Low60.9Low92 Ų92102.7 Ų102.756%0.56454%0.542SS*.Hα-helixtrans-74.7-37.9179.646.30000112.9Q196 S197 L198Q196-T200 PolarHBondContact O-N 2.93Å; Q196-T200 PolarHBondContact O-OG1 3.49Å; Q196-T200 VanDerWaalsContact O-OG1 3.09Å; S197-T200 PolarHBondContact O-OG1 2.97Å; L198-T200 VanDerWaalsContact C-N 3.29Å; L198-T200 PolarHBondContact O-N 3.47Å
201L55.1Low61.8Low102 Ų102103.9 Ų103.953%0.53454%0.537SS..Hα-helixtrans-77.9-30.5177.9-152.3136.4000112S197 L198 R205S197-L201 WeakPolarHBondContact O-CB 3.33Å; S197-L201 PolarHBondContact O-N 3.48Å; L198-L201 PolarHBondContact O-N 3.48Å; L201-R205 WeakPolarHBondContact O-CB 3.43Å; L201-R205 PolarHBondContact O-N 3.39Å
202E56.7Low62.6Low123 Ų123105 Ų10558%0.57554%0.542SS*.Hα-helixtrans-70.9-41.9172.3-167.9166.4-161.100110.4L198 V204 R205 L206L198-E202 WeakPolarHBondContact O-CA 3.45Å; L198-E202 WeakPolarHBondContact O-CB 3.34Å; L198-E202 PolarHBondContact O-N 2.83Å; E202-V204 PolarHBondContact O-N 2.86Å; E202-R205 CarbonylContact O-C 3.53Å; E202-R205 PolarHBondContact O-N 3.43Å; E202-L206 WeakPolarHBondContact O-CA 3.27Å; E202-L206 WeakPolarHBondContact O-CB 3.32Å; E202-L206 PolarHBondContact O-N 3.32Å
203Y57.7Low63.6Low177 Ų177105 Ų10569%0.69455%0.545SS*.Hα-helixtrans-56.5-44.5176.8-175.4-98000113.6E199 L206 S207E199-Y203 VanDerWaalsContact O-CB 3.27Å; E199-Y203 WeakPolarHBondContact O-CB 3.44Å; E199-Y203 PolarHBondContact O-N 2.96Å; Y203-L206 PolarHBondContact O-N 3.15Å; Y203-S207 PolarHBondContact O-N 3.48Å
204V57.1Low64.7Low100 Ų100103 Ų10361%0.60654%0.537SS*.Hα-helixtrans-76.3-34.6179.3-178.50000112E202 L206 S207E202-V204 PolarHBondContact O-N 2.86Å; V204-L206 VanDerWaalsContact C-N 3.31Å; V204-S207 PolarHBondContact O-OG 2.88Å
205R59.9Low65.5Low190 Ų190101.8 Ų101.872%0.71753%0.53SS*.Hα-helixtrans-75-18.4171.8-85.1-175.1177.5177.10.8113.6L201 E202 P209L201-R205 WeakPolarHBondContact O-CB 3.43Å; L201-R205 PolarHBondContact O-N 3.39Å; E202-R205 CarbonylContact O-C 3.53Å; E202-R205 PolarHBondContact O-N 3.43Å; R205-P209 WeakPolarHBondContact O-CD 3.35Å; R205-P209 WeakPolarHBondContact O-CG 3.26Å
206L63.6Low66.3Low96 Ų96100.9 Ų100.950%0.50353%0.528SS..Hα-helixtrans-84.1-30.1177.7-170.573.1000110.9E202 Y203 V204 P209 V210E202-L206 WeakPolarHBondContact O-CA 3.27Å; E202-L206 WeakPolarHBondContact O-CB 3.32Å; E202-L206 PolarHBondContact O-N 3.32Å; Y203-L206 PolarHBondContact O-N 3.15Å; V204-L206 VanDerWaalsContact C-N 3.31Å; L206-P209 VanDerWaalsContact O-CD 3.24Å; L206-P209 WeakPolarHBondContact O-CD 3.38Å; L206-P209 VanDerWaalsContact O-CG 3.26Å; L206-P209 WeakPolarHBondContact O-CG 3.42Å; L206-V210 HydrophobicContact CD1-CG2 4.49Å; L206-V210 HydrophobicContact CG-CG2 4.04Å; L206-V210 WeakPolarHBondContact O-CB 3.26Å; L206-V210 WeakPolarHBondContact O-CG2 3.42Å; L206-V210 PolarHBondContact O-N 2.98Å
207S68.7Low67Low54 Ų5496.1 Ų96.138%0.37852%0.515SS..Hα-helixtrans-64.2-44.6-179.369.10000113.2Y203 V204 V210 I211Y203-S207 PolarHBondContact O-N 3.48Å; V204-S207 PolarHBondContact O-OG 2.88Å; S207-V210 PolarHBondContact O-N 3.04Å; S207-I211 VanDerWaalsContact O-CG1 3.3Å; S207-I211 WeakPolarHBondContact O-CG1 3.41Å; S207-I211 PolarHBondContact O-N 2.95Å
208A67.5Low67.7Low61 Ų6197.4 Ų97.450%0.50451%0.511SS..Hα-helixtrans-61.9-50177.200000114.1V210 I211 L212A208-V210 VanDerWaalsContact C-N 3.28Å; A208-V210 PolarHBondContact O-N 2.86Å; A208-I211 PolarHBondContact O-N 3.07Å; A208-L212 WeakPolarHBondContact O-CB 3.38Å; A208-L212 PolarHBondContact O-N 3.32Å
209P73.4Confident68.4Low63 Ų6393.9 Ų93.941%0.40950%0.495SS..Hα-helixtrans-68.5-27.1174.627.3-33.9000111.9R205 L206 L213R205-P209 WeakPolarHBondContact O-CD 3.35Å; R205-P209 WeakPolarHBondContact O-CG 3.26Å; L206-P209 VanDerWaalsContact O-CD 3.24Å; L206-P209 WeakPolarHBondContact O-CD 3.38Å; L206-P209 VanDerWaalsContact O-CG 3.26Å; L206-P209 WeakPolarHBondContact O-CG 3.42Å; P209-L213 WeakPolarHBondContact O-CB 3.49Å; P209-L213 PolarHBondContact O-N 2.84Å
210V74.2Confident69.3Low60 Ų6089.2 Ų89.236%0.36448%0.476SS..Hα-helixtrans-66.7-45.4171.7167.10000110.9L206 S207 A208 L212 L213 I214L206-V210 HydrophobicContact CD1-CG2 4.49Å; L206-V210 HydrophobicContact CG-CG2 4.04Å; L206-V210 WeakPolarHBondContact O-CB 3.26Å; L206-V210 WeakPolarHBondContact O-CG2 3.42Å; L206-V210 PolarHBondContact O-N 2.98Å; S207-V210 PolarHBondContact O-N 3.04Å; A208-V210 VanDerWaalsContact C-N 3.28Å; A208-V210 PolarHBondContact O-N 2.86Å; V210-L212 VanDerWaalsContact C-N 3.35Å; V210-L213 WeakPolarHBondContact O-CB 3.42Å; V210-L213 PolarHBondContact O-N 3.01Å; V210-I214 HydrophobicContact CG1-CD1 3.84Å; V210-I214 HydrophobicContact CG1-CG1 4.48Å; V210-I214 VanDerWaalsContact O-CG1 3.23Å; V210-I214 WeakPolarHBondContact O-CG1 3.37Å; V210-I214 PolarHBondContact O-N 3.43Å
211I74.3Confident70.3Confident99 Ų9989.6 Ų89.651%0.50847%0.474SS..Hα-helixtrans-62.2-45.1175.3-66.7163.9000110.1S207 A208 L213 I214 I215S207-I211 VanDerWaalsContact O-CG1 3.3Å; S207-I211 WeakPolarHBondContact O-CG1 3.41Å; S207-I211 PolarHBondContact O-N 2.95Å; A208-I211 PolarHBondContact O-N 3.07Å; I211-L213 VanDerWaalsContact C-N 3.33Å; I211-L213 PolarHBondContact O-N 2.69Å; I211-I214 PolarHBondContact O-N 3.06Å; I211-I215 HydrophobicContact CG2-CD1 3.86Å; I211-I215 HydrophobicContact CG2-CG1 4.46Å; I211-I215 WeakPolarHBondContact O-CG1 3.48Å; I211-I215 PolarHBondContact O-N 3.42Å
212L76.2Confident71.4Confident109 Ų10985.1 Ų85.157%0.57145%0.45SS*.Hα-helixtrans-61-42175.5-175.566.4000111.5A208 V210 I214 I215 V216A208-L212 WeakPolarHBondContact O-CB 3.38Å; A208-L212 PolarHBondContact O-N 3.32Å; V210-L212 VanDerWaalsContact C-N 3.35Å; L212-I214 VanDerWaalsContact C-N 3.32Å; L212-I214 PolarHBondContact O-N 3.45Å; L212-I215 PolarHBondContact O-N 3.2Å; L212-V216 HydrophobicContact CD1-CG2 4.01Å; L212-V216 HydrophobicContact CG-CG2 4.16Å; L212-V216 VanDerWaalsContact O-CB 3.25Å; L212-V216 WeakPolarHBondContact O-CB 3.46Å; L212-V216 WeakPolarHBondContact O-CG2 3.31Å; L212-V216 PolarHBondContact O-N 3.25Å
213L78Confident72.4Confident122 Ų12279.7 Ų79.764%0.63943%0.426SS*.Hα-helixtrans-63.4-37.5175.8-178.473.2000111.6P209 V210 I211 G217P209-L213 WeakPolarHBondContact O-CB 3.49Å; P209-L213 PolarHBondContact O-N 2.84Å; V210-L213 WeakPolarHBondContact O-CB 3.42Å; V210-L213 PolarHBondContact O-N 3.01Å; I211-L213 VanDerWaalsContact C-N 3.33Å; I211-L213 PolarHBondContact O-N 2.69Å; L213-G217 WeakPolarHBondContact O-CA 3.34Å; L213-G217 PolarHBondContact O-N 2.86Å
214I76.7Confident73.5Confident110 Ų11072.9 Ų72.956%0.56440%0.401SS*.Hα-helixtrans-68.3-45.2175.8-69.1164.1000110.4V210 I211 L212 G217 Y218V210-I214 HydrophobicContact CG1-CD1 3.84Å; V210-I214 HydrophobicContact CG1-CG1 4.48Å; V210-I214 VanDerWaalsContact O-CG1 3.23Å; V210-I214 WeakPolarHBondContact O-CG1 3.37Å; V210-I214 PolarHBondContact O-N 3.43Å; I211-I214 PolarHBondContact O-N 3.06Å; L212-I214 VanDerWaalsContact C-N 3.32Å; L212-I214 PolarHBondContact O-N 3.45Å; I214-G217 PolarHBondContact O-N 3.16Å; I214-Y218 WeakPolarHBondContact O-CB 3.5Å; I214-Y218 PolarHBondContact O-N 2.86Å
215I75.6Confident74.6Confident78 Ų7872 Ų7240%0.439%0.393SS..Hα-helixtrans-66.1-50.3179.3-66.6169.1000110.6I211 L212 G217 Y218 A219 F232I211-I215 HydrophobicContact CG2-CD1 3.86Å; I211-I215 HydrophobicContact CG2-CG1 4.46Å; I211-I215 WeakPolarHBondContact O-CG1 3.48Å; I211-I215 PolarHBondContact O-N 3.42Å; L212-I215 PolarHBondContact O-N 3.2Å; I215-G217 VanDerWaalsContact C-N 3.29Å; I215-G217 PolarHBondContact O-N 3.25Å; I215-Y218 PolarHBondContact O-N 2.85Å; I215-A219 WeakPolarHBondContact O-CB 3.29Å; I215-A219 PolarHBondContact O-N 3.29Å; I215-F232 HydrophobicContact CG2-CE1 4.22Å; I215-F232 HydrophobicContact CG2-CZ 4.02Å
216V79.1Confident75.6Confident79 Ų7964.9 Ų64.948%0.47937%0.371SS..Hα-helixtrans-63.7-39.1176.9173.80000110.4L212 A220L212-V216 HydrophobicContact CD1-CG2 4.01Å; L212-V216 HydrophobicContact CG-CG2 4.16Å; L212-V216 VanDerWaalsContact O-CB 3.25Å; L212-V216 WeakPolarHBondContact O-CB 3.46Å; L212-V216 WeakPolarHBondContact O-CG2 3.31Å; L212-V216 PolarHBondContact O-N 3.25Å; V216-A220 WeakPolarHBondContact O-CB 3.47Å; V216-A220 PolarHBondContact O-N 3.3Å
217G77.9Confident76.3Confident34 Ų3463.8 Ų63.835%0.35137%0.368SS..Hα-helixtrans-65.9-40.117700000112.6L213 I214 I215 L221L213-G217 WeakPolarHBondContact O-CA 3.34Å; L213-G217 PolarHBondContact O-N 2.86Å; I214-G217 PolarHBondContact O-N 3.16Å; I215-G217 VanDerWaalsContact C-N 3.29Å; I215-G217 PolarHBondContact O-N 3.25Å; G217-L221 WeakPolarHBondContact O-CB 3.42Å; G217-L221 PolarHBondContact O-N 3.32Å
218Y76.2Confident76.7Confident92 Ų9261.6 Ų61.636%0.36135%0.353SS..Hα-helixtrans-66-49.9174168-93.3000111.1I214 I215 A220 L221 V222 F229 D231 F232I214-Y218 WeakPolarHBondContact O-CB 3.5Å; I214-Y218 PolarHBondContact O-N 2.86Å; I215-Y218 PolarHBondContact O-N 2.85Å; Y218-A220 VanDerWaalsContact C-N 3.31Å; Y218-A220 PolarHBondContact O-N 2.82Å; Y218-L221 PolarHBondContact O-N 3.11Å; Y218-V222 HydrophobicContact CD1-CG2 4.49Å; Y218-V222 HydrophobicContact CD2-CG2 4.06Å; Y218-V222 HydrophobicContact CE1-CG2 4.12Å; Y218-V222 HydrophobicContact CE2-CG2 3.67Å; Y218-V222 HydrophobicContact CG-CG2 4.46Å; Y218-V222 WeakPolarHBondContact O-CB 3.35Å; Y218-V222 WeakPolarHBondContact O-CG2 3.29Å; Y218-V222 PolarHBondContact O-N 2.93Å; Y218-F229 VanDerWaalsContact OH-CD2 3.25Å; Y218-F229 WeakPolarHBondContact OH-CD2 3.47Å; Y218-D231 WeakPolarHBondContact CE1-OD2 3.47Å; Y218-D231 PolarHBondContact OH-OD2 3.36Å; Y218-F232 HydrophobicContact CD1-CD2 4.23Å; Y218-F232 AromaticContact CD1-CE2 3.9Å; Y218-F232 HydrophobicContact CD1-CE2 3.9Å; Y218-F232 HydrophobicContact CE1-CD2 4.09Å; Y218-F232 AromaticContact CE1-CE2 3.84Å; Y218-F232 HydrophobicContact CE1-CE2 3.84Å
219A73.6Confident77Confident19 Ų1965.2 Ų65.216%0.15736%0.358CS..Hα-helixtrans-57.6-47.2176.400000110.6I215 L221 V222 S223 F232I215-A219 WeakPolarHBondContact O-CB 3.29Å; I215-A219 PolarHBondContact O-N 3.29Å; A219-L221 PolarHBondContact O-N 2.74Å; A219-V222 PolarHBondContact O-N 3.05Å; A219-S223 WeakPolarHBondContact O-CB 3.41Å; A219-S223 PolarHBondContact O-N 3.09Å; A219-S223 PolarHBondContact O-OG 2.92Å; A219-F232 HydrophobicContact CB-CB 4.05Å; A219-F232 HydrophobicContact CB-CD2 4.05Å; A219-F232 HydrophobicContact CB-CG 4.09Å
220A77.3Confident77Confident14 Ų1463.4 Ų63.412%0.11635%0.351CS..Hα-helixtrans-57.9-49.5174.600000111.9V216 Y218 V222 S223 I224 Y246V216-A220 WeakPolarHBondContact O-CB 3.47Å; V216-A220 PolarHBondContact O-N 3.3Å; Y218-A220 VanDerWaalsContact C-N 3.31Å; Y218-A220 PolarHBondContact O-N 2.82Å; A220-V222 PolarHBondContact O-N 3.45Å; A220-S223 PolarHBondContact O-N 2.89Å; A220-I224 HydrophobicContact CB-CD1 4.21Å; A220-I224 WeakPolarHBondContact O-CB 3.46Å; A220-I224 WeakPolarHBondContact O-CD1 3.29Å; A220-I224 WeakPolarHBondContact O-CG1 3.2Å; A220-I224 PolarHBondContact O-N 3.49Å; A220-Y246 HydrophobicContact CB-CE1 4.38Å; A220-Y246 WeakPolarHBondContact CB-OH 3.34Å
221L78.6Confident76.9Confident99 Ų9963.2 Ų63.252%0.51835%0.348SS..Hα-helixtrans-61.4-47-177.9-172.281.8000111.3G217 Y218 A219 S223 I224 L225G217-L221 WeakPolarHBondContact O-CB 3.42Å; G217-L221 PolarHBondContact O-N 3.32Å; Y218-L221 PolarHBondContact O-N 3.11Å; A219-L221 PolarHBondContact O-N 2.74Å; L221-S223 VanDerWaalsContact C-N 3.33Å; L221-S223 PolarHBondContact O-N 3.45Å; L221-I224 PolarHBondContact O-N 3.41Å; L221-L225 HydrophobicContact CD1-CD1 3.78Å; L221-L225 HydrophobicContact CD1-CG 4.11Å; L221-L225 HydrophobicContact CD2-CD1 4.14Å; L221-L225 HydrophobicContact CG-CD1 3.63Å; L221-L225 HydrophobicContact CG-CG 4.14Å; L221-L225 WeakPolarHBondContact O-CB 3.33Å; L221-L225 WeakPolarHBondContact O-CG 3.45Å; L221-L225 PolarHBondContact O-N 3.47Å
222V78.2Confident76.8Confident8 Ų862.8 Ų62.85%0.04834%0.342CS..Hα-helixtrans-62.7-41.7179.6169.50000110.9Y218 A219 A220 V227 G228 F229Y218-V222 HydrophobicContact CD1-CG2 4.49Å; Y218-V222 HydrophobicContact CD2-CG2 4.06Å; Y218-V222 HydrophobicContact CE1-CG2 4.12Å; Y218-V222 HydrophobicContact CE2-CG2 3.67Å; Y218-V222 HydrophobicContact CG-CG2 4.46Å; Y218-V222 WeakPolarHBondContact O-CB 3.35Å; Y218-V222 WeakPolarHBondContact O-CG2 3.29Å; Y218-V222 PolarHBondContact O-N 2.93Å; A219-V222 PolarHBondContact O-N 3.05Å; A220-V222 PolarHBondContact O-N 3.45Å; V222-V227 HydrophobicContact CG1-CB 4.17Å; V222-V227 HydrophobicContact CG1-CG1 4.43Å; V222-V227 PolarHBondContact O-N 3.2Å; V222-G228 PolarHBondContact O-N 3.45Å; V222-F229 HydrophobicContact CB-CD2 4.36Å; V222-F229 HydrophobicContact CG1-CB 4.14Å; V222-F229 HydrophobicContact CG1-CD2 3.63Å; V222-F229 HydrophobicContact CG1-CE2 4.45Å; V222-F229 HydrophobicContact CG1-CG 4.18Å; V222-F229 VanDerWaalsContact CG1-N 3.32Å; V222-F229 HydrophobicContact CG2-CD2 3.7Å; V222-F229 HydrophobicContact CG2-CE2 3.97Å
223S76.4Confident76.7Confident10 Ų1059 Ų597%0.0732%0.324CS..Hα-helixtrans-69.3-41.6176.1-59.10000112.9Y111 A219 A220 L221 T226Y111-S223 WeakPolarHBondContact OH-CB 3.09Å; Y111-S223 PolarHBondContact OH-OG 3.48Å; A219-S223 WeakPolarHBondContact O-CB 3.41Å; A219-S223 PolarHBondContact O-N 3.09Å; A219-S223 PolarHBondContact O-OG 2.92Å; A220-S223 PolarHBondContact O-N 2.89Å; L221-S223 VanDerWaalsContact C-N 3.33Å; L221-S223 PolarHBondContact O-N 3.45Å; S223-T226 PolarHBondContact O-N 2.98Å
224I81.3Confident76.5Confident33 Ų3354.7 Ų54.717%0.16930%0.303CS..Hα-helixtrans-76.5-39.9-174.3-73.2174.4000111.9A220 L221 T226 G250 A254A220-I224 HydrophobicContact CB-CD1 4.21Å; A220-I224 WeakPolarHBondContact O-CB 3.46Å; A220-I224 WeakPolarHBondContact O-CD1 3.29Å; A220-I224 WeakPolarHBondContact O-CG1 3.2Å; A220-I224 PolarHBondContact O-N 3.49Å; L221-I224 PolarHBondContact O-N 3.41Å; I224-T226 PolarHBondContact O-N 2.86Å; I224-G250 VanDerWaalsContact CG2-O 3.29Å; I224-G250 WeakPolarHBondContact CG2-O 3.27Å; I224-A254 HydrophobicContact CG2-CB 3.4Å
225L80.2Confident76.1Confident83 Ų8354.9 Ų54.944%0.43531%0.314SS..THydrogen-bonded Turntrans-75.96.1173.6-67.9-178.9000112.7L221 V227L221-L225 HydrophobicContact CD1-CD1 3.78Å; L221-L225 HydrophobicContact CD1-CG 4.11Å; L221-L225 HydrophobicContact CD2-CD1 4.14Å; L221-L225 HydrophobicContact CG-CD1 3.63Å; L221-L225 HydrophobicContact CG-CG 4.14Å; L221-L225 WeakPolarHBondContact O-CB 3.33Å; L221-L225 WeakPolarHBondContact O-CG 3.45Å; L221-L225 PolarHBondContact O-N 3.47Å; L225-V227 HydrophobicContact CB-CG2 3.81Å; L225-V227 PolarHBondContact O-N 3.26Å; L225-V227 VanDerWaalsContact O-N 3.12Å
226T81.1Confident76.1Confident40 Ų4055.3 Ų55.325%0.24532%0.315CS..THydrogen-bonded Turntrans52.532.5-17768.60000113.5T107 I109 S223 I224 L251T107-T226 WeakPolarHBondContact O-CB 3.2Å; T107-T226 VanDerWaalsContact O-CG2 3.29Å; T107-T226 WeakPolarHBondContact O-CG2 3.37Å; I109-T226 HydrophobicContact CG1-CG2 3.98Å; S223-T226 PolarHBondContact O-N 2.98Å; I224-T226 PolarHBondContact O-N 2.86Å; T226-L251 HydrophobicContact CG2-CD1 3.44Å; T226-L251 VanDerWaalsContact CG2-CD1 3.44Å
227V78Confident75.7Confident73 Ų7357.2 Ų57.244%0.44232%0.316SS..  trans-80.9-42.1175.6178.60000109.7V222 L225 F229V222-V227 HydrophobicContact CG1-CB 4.17Å; V222-V227 HydrophobicContact CG1-CG1 4.43Å; V222-V227 PolarHBondContact O-N 3.2Å; L225-V227 HydrophobicContact CB-CG2 3.81Å; L225-V227 PolarHBondContact O-N 3.26Å; L225-V227 VanDerWaalsContact O-N 3.12Å; V227-F229 HydrophobicContact CG1-CD1 4.34Å; V227-F229 HydrophobicContact CG1-CD2 4.05Å; V227-F229 HydrophobicContact CG1-CE1 3.98Å; V227-F229 HydrophobicContact CG1-CE2 3.67Å; V227-F229 HydrophobicContact CG1-CG 4.37Å; V227-F229 HydrophobicContact CG1-CZ 3.63Å; V227-F229 PolarHBondContact O-N 2.91Å
228G77.9Confident75.6Confident7 Ų764.3 Ų64.37%0.07233%0.333CS..  trans52.255.6167.100000116I109 V222 G230I109-G228 WeakPolarHBondContact O-CA 3.39Å; V222-G228 PolarHBondContact O-N 3.45Å; G228-G230 PolarHBondContact O-N 2.85Å
229F73.2Confident75.8Confident137 Ų13765.6 Ų65.660%0.60134%0.34SS*.  trans-57.3-18.1178.9-72.2-58.8000115.1Y218 V222 V227 D231Y218-F229 VanDerWaalsContact OH-CD2 3.25Å; Y218-F229 WeakPolarHBondContact OH-CD2 3.47Å; V222-F229 HydrophobicContact CB-CD2 4.36Å; V222-F229 HydrophobicContact CG1-CB 4.14Å; V222-F229 HydrophobicContact CG1-CD2 3.63Å; V222-F229 HydrophobicContact CG1-CE2 4.45Å; V222-F229 HydrophobicContact CG1-CG 4.18Å; V222-F229 VanDerWaalsContact CG1-N 3.32Å; V222-F229 HydrophobicContact CG2-CD2 3.7Å; V222-F229 HydrophobicContact CG2-CE2 3.97Å; V227-F229 HydrophobicContact CG1-CD1 4.34Å; V227-F229 HydrophobicContact CG1-CD2 4.05Å; V227-F229 HydrophobicContact CG1-CE1 3.98Å; V227-F229 HydrophobicContact CG1-CE2 3.67Å; V227-F229 HydrophobicContact CG1-CG 4.37Å; V227-F229 HydrophobicContact CG1-CZ 3.63Å; V227-F229 PolarHBondContact O-N 2.91Å; F229-D231 VanDerWaalsContact C-N 3.28Å; F229-D231 PolarHBondContact O-N 2.78Å
230G73.1Confident76.1Confident25 Ų2565.3 Ų65.326%0.25834%0.336SS..SBendtrans79.47.5-179.700000114.5Y111 G228Y111-G230 VanDerWaalsContact O-CA 3.27Å; Y111-G230 WeakPolarHBondContact O-CA 3.32Å; G228-G230 PolarHBondContact O-N 2.85Å
231D73.1Confident76.4Confident56 Ų5669.2 Ų69.230%0.29935%0.354SS..SBendtrans-78.9-30.2-178.752.9-2.3000113.9Y218 F229Y218-D231 WeakPolarHBondContact CE1-OD2 3.47Å; Y218-D231 PolarHBondContact OH-OD2 3.36Å; F229-D231 VanDerWaalsContact C-N 3.28Å; F229-D231 PolarHBondContact O-N 2.78Å
232F72.1Confident76.7Confident90 Ų9069.6 Ų69.640%0.39536%0.355SS..SBendtrans-122.494.9174.4-64.9-77.7000110.5I215 Y218 A219I215-F232 HydrophobicContact CG2-CE1 4.22Å; I215-F232 HydrophobicContact CG2-CZ 4.02Å; Y218-F232 HydrophobicContact CD1-CD2 4.23Å; Y218-F232 AromaticContact CD1-CE2 3.9Å; Y218-F232 HydrophobicContact CD1-CE2 3.9Å; Y218-F232 HydrophobicContact CE1-CD2 4.09Å; Y218-F232 AromaticContact CE1-CE2 3.84Å; Y218-F232 HydrophobicContact CE1-CE2 3.84Å; A219-F232 HydrophobicContact CB-CB 4.05Å; A219-F232 HydrophobicContact CB-CD2 4.05Å; A219-F232 HydrophobicContact CB-CG 4.09Å
233V73.4Confident76.7Confident31 Ų3170.3 Ų70.319%0.18836%0.36CS..  trans-111.4137.6176.1-173.40000109.2F100 Y111 D113 S235F100-V233 HydrophobicContact CE1-CG1 4.38Å; Y111-V233 HydrophobicContact CD1-CG2 4.08Å; Y111-V233 HydrophobicContact CG-CG2 3.91Å; D113-V233 HydrophobicContact CB-CG1 3.93Å; V233-S235 PolarHBondContact O-N 2.98Å; V233-S235 PolarHBondContact O-OG 3.49Å
234P73Confident77Confident30 Ų3071.6 Ų71.620%0.19537%0.366CS..  trans-65.795173.129-37.1000110.5F100 E236 S243F100-P234 HydrophobicContact CE2-CG 4.12Å; F100-P234 HydrophobicContact CZ-CG 3.84Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.43Å; P234-S243 WeakPolarHBondContact CG-OG 3.24Å
235S68.9Low77.2Confident114 Ų11474.7 Ų74.780%0.79738%0.382SS*.  trans-70.9-26.7179.8-47.40000113.1V233V233-S235 PolarHBondContact O-N 2.98Å; V233-S235 PolarHBondContact O-OG 3.49Å
236E75.1Confident77.4Confident88 Ų8876.2 Ų76.241%0.41138%0.383SS..SBendtrans-85.6121.2-174.6-175.179.8-162.400111.5P234 R238 F239 I240P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.43Å; E236-R238 HydrophobicContact CG-CB 4.36Å; E236-R238 PolarHBondContact O-N 3.28Å; E236-R238 IonicContact OE1-CZ 3.6Å; E236-R238 IonicContact OE1-NE 2.73Å; E236-R238 PolarHBondContact OE1-NE 3.42Å; E236-R238 IonicContact OE1-NH2 3.45Å; E236-R238 PolarHBondContact OE1-NH2 3.38Å; E236-F239 HydrophobicContact CB-CD2 3.73Å; E236-F239 HydrophobicContact CB-CE2 4.38Å; E236-F239 HydrophobicContact CG-CD2 3.73Å; E236-F239 HydrophobicContact CG-CE2 4Å; E236-F239 PolarHBondContact O-N 3.13Å; E236-I240 PolarHBondContact O-N 2.84Å
237K71.4Confident77.5Confident119 Ų11974.7 Ų74.752%0.51737%0.373SS..Hα-helixtrans-48.7-36.3-178.1-68.3-178.5176.11800114E91 F239E91-K237 PolarHBondContact O-NZ 2.96Å; K237-F239 VanDerWaalsContact C-N 3.34Å; K237-F239 PolarHBondContact O-N 3.47Å
238R76.6Confident77.8Confident183 Ų18374.9 Ų74.969%0.69137%0.368SS*.Hα-helixtrans-67.9-30.5-179.5-69179.4-74.3178.4-3.1113.6E236E236-R238 HydrophobicContact CG-CB 4.36Å; E236-R238 PolarHBondContact O-N 3.28Å; E236-R238 IonicContact OE1-CZ 3.6Å; E236-R238 IonicContact OE1-NE 2.73Å; E236-R238 PolarHBondContact OE1-NE 3.42Å; E236-R238 IonicContact OE1-NH2 3.45Å; E236-R238 PolarHBondContact OE1-NH2 3.38Å
239F78.8Confident78.1Confident119 Ų11977.6 Ų77.652%0.52238%0.383SS..Hα-helixtrans-94.3-10.1-177.2-60.9-57.6000113E236 K237 I241 I242 S243E236-F239 HydrophobicContact CB-CD2 3.73Å; E236-F239 HydrophobicContact CB-CE2 4.38Å; E236-F239 HydrophobicContact CG-CD2 3.73Å; E236-F239 HydrophobicContact CG-CE2 4Å; E236-F239 PolarHBondContact O-N 3.13Å; K237-F239 VanDerWaalsContact C-N 3.34Å; K237-F239 PolarHBondContact O-N 3.47Å; F239-I241 PolarHBondContact O-N 3.15Å; F239-I242 HydrophobicContact CD1-CD1 4.3Å; F239-I242 PolarHBondContact O-N 3.41Å; F239-S243 VanDerWaalsContact O-CB 3.29Å; F239-S243 WeakPolarHBondContact O-CB 3.47Å; F239-S243 PolarHBondContact O-N 3.39Å; F239-S243 PolarHBondContact O-OG 2.91Å
240I80.1Confident78.6Confident13 Ų1371.3 Ų71.37%0.06736%0.357CS..Hα-helixtrans-55.9-50.9179.4-64.8179.1000111.1F100 E236 I242 S243 M244F100-I240 HydrophobicContact CB-CG2 3.74Å; F100-I240 HydrophobicContact CD2-CG2 3.89Å; F100-I240 HydrophobicContact CG-CG2 3.86Å; E236-I240 PolarHBondContact O-N 2.84Å; I240-I242 PolarHBondContact O-N 3.31Å; I240-S243 PolarHBondContact O-N 2.96Å; I240-S243 PolarHBondContact O-OG 3.04Å; I240-M244 WeakPolarHBondContact O-CB 3.28Å; I240-M244 PolarHBondContact O-N 2.96Å
241I83.6Confident79.2Confident95 Ų9570.9 Ų70.949%0.48735%0.349SS..Hα-helixtrans-64.4-42.7-178.1-60.1175.6000111.3A96 F239 S243 M244 I245A96-I241 HydrophobicContact CB-CG1 4.41Å; F239-I241 PolarHBondContact O-N 3.15Å; I241-S243 VanDerWaalsContact C-N 3.32Å; I241-S243 PolarHBondContact O-N 2.82Å; I241-M244 WeakPolarHBondContact O-CB 3.35Å; I241-M244 PolarHBondContact O-N 2.86Å; I241-I245 HydrophobicContact CG2-CD1 4.36Å; I241-I245 WeakPolarHBondContact O-CG1 3.39Å; I241-I245 PolarHBondContact O-N 3.1Å; I241-I245 VanDerWaalsContact O-N 3.08Å
242I84.3Confident79.8Confident108 Ų10868.5 Ų68.555%0.55434%0.336SS*.Hα-helixtrans-63.1-43.5178.2-64.6172000110F239 I240 M244 I245 Y246F239-I242 HydrophobicContact CD1-CD1 4.3Å; F239-I242 PolarHBondContact O-N 3.41Å; I240-I242 PolarHBondContact O-N 3.31Å; I242-M244 VanDerWaalsContact C-N 3.28Å; I242-M244 PolarHBondContact O-N 2.94Å; I242-I245 PolarHBondContact O-N 2.68Å; I242-Y246 WeakPolarHBondContact O-CB 3.33Å; I242-Y246 PolarHBondContact O-N 3.09Å
243S79.1Confident80.4Confident22 Ų2268.3 Ų68.315%0.15434%0.339CS..Hα-helixtrans-62.8-36176.779.30000111.7P234 F239 I240 I241 Y246 V247P234-S243 WeakPolarHBondContact CG-OG 3.24Å; F239-S243 VanDerWaalsContact O-CB 3.29Å; F239-S243 WeakPolarHBondContact O-CB 3.47Å; F239-S243 PolarHBondContact O-N 3.39Å; F239-S243 PolarHBondContact O-OG 2.91Å; I240-S243 PolarHBondContact O-N 2.96Å; I240-S243 PolarHBondContact O-OG 3.04Å; I241-S243 VanDerWaalsContact C-N 3.32Å; I241-S243 PolarHBondContact O-N 2.82Å; S243-Y246 WeakPolarHBondContact O-CB 3.38Å; S243-Y246 PolarHBondContact O-N 2.86Å; S243-V247 VanDerWaalsContact O-CB 3.31Å; S243-V247 WeakPolarHBondContact O-CB 3.35Å; S243-V247 WeakPolarHBondContact O-CG2 3.29Å; S243-V247 PolarHBondContact O-N 2.98Å
244M83.1Confident80.8Confident37 Ų3767.5 Ų67.518%0.18234%0.335CS..Hα-helixtrans-64.4-46.5177.7-165.5-177.472.900111.2L99 L103 I240 I241 I242 Y246 F248L99-M244 HydrophobicContact CD2-CE 3.8Å; L99-M244 HydrophobicContact CD2-SD 3.89Å; L99-M244 HydrophobicContact CG-CE 4.43Å; L99-M244 HydrophobicContact CG-SD 3.9Å; L103-M244 HydrophobicContact CD2-CG 3.19Å; L103-M244 HydrophobicContact CD2-SD 3.88Å; L103-M244 HydrophobicContact CG-CG 4.48Å; I240-M244 WeakPolarHBondContact O-CB 3.28Å; I240-M244 PolarHBondContact O-N 2.96Å; I241-M244 WeakPolarHBondContact O-CB 3.35Å; I241-M244 PolarHBondContact O-N 2.86Å; I242-M244 VanDerWaalsContact C-N 3.28Å; I242-M244 PolarHBondContact O-N 2.94Å; M244-Y246 VanDerWaalsContact C-N 3.35Å; M244-F248 WeakPolarHBondContact O-CB 3.26Å; M244-F248 PolarHBondContact O-N 2.99Å
245I85.5Confident81.4Confident99 Ų9967.4 Ų67.451%0.50833%0.334SS..Hα-helixtrans-63.1-44.9175.3-64.7169.2000110I241 I242 F248 V249I241-I245 HydrophobicContact CG2-CD1 4.36Å; I241-I245 WeakPolarHBondContact O-CG1 3.39Å; I241-I245 PolarHBondContact O-N 3.1Å; I241-I245 VanDerWaalsContact O-N 3.08Å; I242-I245 PolarHBondContact O-N 2.68Å; I245-F248 PolarHBondContact O-N 3.1Å; I245-V249 HydrophobicContact CG2-CG2 4.25Å; I245-V249 WeakPolarHBondContact O-CB 3.25Å; I245-V249 WeakPolarHBondContact O-CG2 3.14Å; I245-V249 PolarHBondContact O-N 3.14Å
246Y83.8Confident82.2Confident115 Ų11563.2 Ų63.245%0.45130%0.302SS..Hα-helixtrans-58.9-49.3178.8174.5-98.4000112.1A220 I242 S243 M244 F248 V249 G250A220-Y246 HydrophobicContact CB-CE1 4.38Å; A220-Y246 WeakPolarHBondContact CB-OH 3.34Å; I242-Y246 WeakPolarHBondContact O-CB 3.33Å; I242-Y246 PolarHBondContact O-N 3.09Å; S243-Y246 WeakPolarHBondContact O-CB 3.38Å; S243-Y246 PolarHBondContact O-N 2.86Å; M244-Y246 VanDerWaalsContact C-N 3.35Å; Y246-F248 VanDerWaalsContact C-N 3.34Å; Y246-F248 PolarHBondContact O-N 3.39Å; Y246-V249 PolarHBondContact O-N 3.15Å; Y246-G250 PolarHBondContact O-N 3.07Å
247V83Confident82.4Confident7 Ų762.1 Ų62.14%0.04230%0.303CS..Hα-helixtrans-60.8-44177.3166.10000110.9I109 S243 G250 L251I109-V247 HydrophobicContact CD1-CG1 3.09Å; S243-V247 VanDerWaalsContact O-CB 3.31Å; S243-V247 WeakPolarHBondContact O-CB 3.35Å; S243-V247 WeakPolarHBondContact O-CG2 3.29Å; S243-V247 PolarHBondContact O-N 2.98Å; V247-G250 PolarHBondContact O-N 3.27Å; V247-L251 VanDerWaalsContact O-CB 3.29Å; V247-L251 WeakPolarHBondContact O-CB 3.46Å; V247-L251 PolarHBondContact O-N 3.44Å
248F84.3Confident82.9Confident77 Ų7761.7 Ų61.734%0.33831%0.305SS..Hα-helixtrans-65.6-46.4179.4-171-106.5000112.3T140 M244 I245 Y246 G250 L251 L252T140-F248 HydrophobicContact CG2-CE2 4.5Å; M244-F248 WeakPolarHBondContact O-CB 3.26Å; M244-F248 PolarHBondContact O-N 2.99Å; I245-F248 PolarHBondContact O-N 3.1Å; Y246-F248 VanDerWaalsContact C-N 3.34Å; Y246-F248 PolarHBondContact O-N 3.39Å; F248-G250 VanDerWaalsContact C-N 3.34Å; F248-G250 PolarHBondContact O-N 2.89Å; F248-L251 PolarHBondContact O-N 2.93Å; F248-L252 HydrophobicContact CD1-CD1 3.88Å; F248-L252 HydrophobicContact CE1-CD1 3.62Å; F248-L252 HydrophobicContact CE1-CG 4.47Å; F248-L252 HydrophobicContact CZ-CD1 4.2Å; F248-L252 VanDerWaalsContact O-CG 3.29Å; F248-L252 WeakPolarHBondContact O-CG 3.44Å; F248-L252 PolarHBondContact O-N 3.25Å
249V84.5Confident83.2Confident64 Ų6456.4 Ų56.439%0.38829%0.291SS..Hα-helixtrans-63.4-42.4175.9171.80000111I245 Y246 L252 I253I245-V249 HydrophobicContact CG2-CG2 4.25Å; I245-V249 WeakPolarHBondContact O-CB 3.25Å; I245-V249 WeakPolarHBondContact O-CG2 3.14Å; I245-V249 PolarHBondContact O-N 3.14Å; Y246-V249 PolarHBondContact O-N 3.15Å; V249-L252 WeakPolarHBondContact O-CB 3.39Å; V249-L252 PolarHBondContact O-N 3.43Å; V249-I253 HydrophobicContact CG1-CD1 3.99Å; V249-I253 WeakPolarHBondContact O-CG1 3.31Å; V249-I253 PolarHBondContact O-N 3.11Å
250G83.7Confident83.2Confident6 Ų654.7 Ų54.76%0.06229%0.291CS..Hα-helixtrans-63.2-43.4177.800000112.4I224 Y246 V247 F248 L252 I253 A254I224-G250 VanDerWaalsContact CG2-O 3.29Å; I224-G250 WeakPolarHBondContact CG2-O 3.27Å; Y246-G250 PolarHBondContact O-N 3.07Å; V247-G250 PolarHBondContact O-N 3.27Å; F248-G250 VanDerWaalsContact C-N 3.34Å; F248-G250 PolarHBondContact O-N 2.89Å; G250-L252 VanDerWaalsContact C-N 3.3Å; G250-L252 PolarHBondContact O-N 3.37Å; G250-I253 PolarHBondContact O-N 3.37Å; G250-I253 VanDerWaalsContact O-N 3.13Å; G250-A254 PolarHBondContact O-N 2.93Å
251L85.8Confident83.2Confident15 Ų1558.1 Ų58.18%0.07931%0.312CS..Hα-helixtrans-56.9-43.3172.5177.961.2000111.8T107 T140 T226 V247 F248 I253 A254 T255T107-L251 HydrophobicContact CG2-CD2 3.76Å; T140-L251 HydrophobicContact CG2-CD2 4.03Å; T226-L251 HydrophobicContact CG2-CD1 3.44Å; T226-L251 VanDerWaalsContact CG2-CD1 3.44Å; V247-L251 VanDerWaalsContact O-CB 3.29Å; V247-L251 WeakPolarHBondContact O-CB 3.46Å; V247-L251 PolarHBondContact O-N 3.44Å; F248-L251 PolarHBondContact O-N 2.93Å; L251-I253 VanDerWaalsContact C-N 3.34Å; L251-I253 PolarHBondContact O-N 3.08Å; L251-A254 PolarHBondContact O-N 3.37Å; L251-T255 HydrophobicContact CD1-CG2 4.27Å; L251-T255 WeakPolarHBondContact O-CB 3.46Å; L251-T255 WeakPolarHBondContact O-CG2 3.27Å; L251-T255 PolarHBondContact O-N 3.02Å; L251-T255 PolarHBondContact O-OG1 2.81Å
252L85.6Confident82.9Confident6 Ų655.4 Ų55.43%0.03131%0.308CS..Hα-helixtrans-63.8-39.6176.5-67.6170.8000111.8V143 M147 F248 V249 G250 T255 M256V143-L252 HydrophobicContact CB-CD2 3.75Å; V143-L252 HydrophobicContact CG1-CD1 3.66Å; V143-L252 HydrophobicContact CG1-CD2 3.56Å; V143-L252 HydrophobicContact CG1-CG 4.26Å; M147-L252 HydrophobicContact CE-CB 4.32Å; M147-L252 HydrophobicContact SD-CB 3.64Å; M147-L252 HydrophobicContact SD-CD1 3.53Å; M147-L252 VanDerWaalsContact SD-CD1 3.53Å; M147-L252 HydrophobicContact SD-CG 4.11Å; F248-L252 HydrophobicContact CD1-CD1 3.88Å; F248-L252 HydrophobicContact CE1-CD1 3.62Å; F248-L252 HydrophobicContact CE1-CG 4.47Å; F248-L252 HydrophobicContact CZ-CD1 4.2Å; F248-L252 VanDerWaalsContact O-CG 3.29Å; F248-L252 WeakPolarHBondContact O-CG 3.44Å; F248-L252 PolarHBondContact O-N 3.25Å; V249-L252 WeakPolarHBondContact O-CB 3.39Å; V249-L252 PolarHBondContact O-N 3.43Å; G250-L252 VanDerWaalsContact C-N 3.3Å; G250-L252 PolarHBondContact O-N 3.37Å; L252-T255 WeakPolarHBondContact CA-OG1 3.37Å; L252-T255 PolarHBondContact O-OG1 3.12Å; L252-M256 WeakPolarHBondContact O-CB 3.37Å; L252-M256 WeakPolarHBondContact O-CG 3.33Å; L252-M256 PolarHBondContact O-N 3.47Å
253I84Confident82.4Confident87 Ų8755.5 Ų55.545%0.44631%0.313SS..Hα-helixtrans-66.7-44.7175.9-67166.9000110.9V249 G250 L251 T255 M256 C257V249-I253 HydrophobicContact CG1-CD1 3.99Å; V249-I253 WeakPolarHBondContact O-CG1 3.31Å; V249-I253 PolarHBondContact O-N 3.11Å; G250-I253 PolarHBondContact O-N 3.37Å; G250-I253 VanDerWaalsContact O-N 3.13Å; L251-I253 VanDerWaalsContact C-N 3.34Å; L251-I253 PolarHBondContact O-N 3.08Å; I253-T255 PolarHBondContact O-N 3.48Å; I253-M256 WeakPolarHBondContact O-CB 3.3Å; I253-M256 PolarHBondContact O-N 2.79Å; I253-C257 PolarHBondContact O-N 2.95Å; I253-C257 PolarHBondContact O-SG 2.88Å; I253-C257 VanDerWaalsContact O-SG 3.34Å
254A83.5Confident82.3Confident13 Ų1361.1 Ų61.111%0.10734%0.336CS..Hα-helixtrans-63.4-43178.900000112.5I224 G250 L251 M256 C257 I258I224-A254 HydrophobicContact CG2-CB 3.4Å; G250-A254 PolarHBondContact O-N 2.93Å; L251-A254 PolarHBondContact O-N 3.37Å; A254-M256 VanDerWaalsContact C-N 3.35Å; A254-M256 PolarHBondContact O-N 2.99Å; A254-C257 WeakPolarHBondContact O-CB 3.34Å; A254-C257 PolarHBondContact O-N 2.9Å; A254-C257 VanDerWaalsContact O-N 3.15Å; A254-I258 VanDerWaalsContact O-CG1 3.31Å; A254-I258 WeakPolarHBondContact O-CG1 3.5Å; A254-I258 PolarHBondContact O-N 2.93Å
255T85.3Confident81.8Confident29 Ų2964.2 Ų64.218%0.17835%0.353CS..Hα-helixtrans-61.9-41.8175.148.80000111.5A144 L251 L252 I253 C257 I258 D259A144-T255 WeakPolarHBondContact CB-OG1 3.38Å; L251-T255 HydrophobicContact CD1-CG2 4.27Å; L251-T255 WeakPolarHBondContact O-CB 3.46Å; L251-T255 WeakPolarHBondContact O-CG2 3.27Å; L251-T255 PolarHBondContact O-N 3.02Å; L251-T255 PolarHBondContact O-OG1 2.81Å; L252-T255 WeakPolarHBondContact CA-OG1 3.37Å; L252-T255 PolarHBondContact O-OG1 3.12Å; I253-T255 PolarHBondContact O-N 3.48Å; T255-C257 VanDerWaalsContact C-N 3.35Å; T255-C257 PolarHBondContact O-N 3.27Å; T255-I258 PolarHBondContact O-N 2.77Å; T255-D259 PolarHBondContact O-N 3.45Å
256M84.1Confident80.9Confident25 Ų2561.9 Ų61.912%0.12335%0.349CS..Hα-helixtrans-59.2-42.2171.1-71.1171.258.900112.8A144 M147 V151 L252 I253 A254 D259 T260A144-M256 HydrophobicContact CB-CG 3.73Å; A144-M256 VanDerWaalsContact O-CG 3.26Å; A144-M256 WeakPolarHBondContact O-CG 3.25Å; M147-M256 HydrophobicContact CB-CE 4.17Å; M147-M256 HydrophobicContact CB-SD 3.39Å; M147-M256 WeakPolarHBondContact CB-SD 3.28Å; M147-M256 HydrophobicContact CE-SD 4.3Å; V151-M256 HydrophobicContact CB-CE 4.34Å; V151-M256 HydrophobicContact CG2-CE 3.96Å; L252-M256 WeakPolarHBondContact O-CB 3.37Å; L252-M256 WeakPolarHBondContact O-CG 3.33Å; L252-M256 PolarHBondContact O-N 3.47Å; I253-M256 WeakPolarHBondContact O-CB 3.3Å; I253-M256 PolarHBondContact O-N 2.79Å; A254-M256 VanDerWaalsContact C-N 3.35Å; A254-M256 PolarHBondContact O-N 2.99Å; M256-D259 PolarHBondContact O-N 3.27Å; M256-T260 WeakPolarHBondContact O-CB 3.33Å; M256-T260 VanDerWaalsContact O-CG2 3.29Å; M256-T260 WeakPolarHBondContact O-CG2 3.39Å; M256-T260 PolarHBondContact O-N 3.04Å; M256-T260 PolarHBondContact O-OG1 3.34Å
257C80.4Confident79.8Confident66 Ų6657.6 Ų57.645%0.44634%0.34SS..Hα-helixtrans-64.9-44.1177.2-72.80000111.7I253 A254 T255 D259 T260 V261I253-C257 PolarHBondContact O-N 2.95Å; I253-C257 PolarHBondContact O-SG 2.88Å; I253-C257 VanDerWaalsContact O-SG 3.34Å; A254-C257 WeakPolarHBondContact O-CB 3.34Å; A254-C257 PolarHBondContact O-N 2.9Å; A254-C257 VanDerWaalsContact O-N 3.15Å; T255-C257 VanDerWaalsContact C-N 3.35Å; T255-C257 PolarHBondContact O-N 3.27Å; C257-D259 VanDerWaalsContact C-N 3.34Å; C257-D259 PolarHBondContact O-N 2.92Å; C257-T260 WeakPolarHBondContact CA-OG1 3.41Å; C257-T260 PolarHBondContact O-N 3.35Å; C257-T260 PolarHBondContact O-OG1 2.8Å; C257-V261 WeakPolarHBondContact O-CB 3.33Å; C257-V261 VanDerWaalsContact O-CG2 3.26Å; C257-V261 WeakPolarHBondContact O-CG2 3.45Å; C257-V261 PolarHBondContact O-N 2.91Å
258I82.7Confident79Confident109 Ų10959.3 Ų59.356%0.55935%0.354SS*.Hα-helixtrans-60.7-45.6177.2-68.5166000110.2A254 T255 G262A254-I258 VanDerWaalsContact O-CG1 3.31Å; A254-I258 WeakPolarHBondContact O-CG1 3.5Å; A254-I258 PolarHBondContact O-N 2.93Å; T255-I258 PolarHBondContact O-N 2.77Å; I258-G262 PolarHBondContact O-N 3.2Å
259D81.3Confident77.8Confident72 Ų7265.2 Ų65.239%0.38537%0.374SS..Hα-helixtrans-62.4-46.6178.5-78.3-9.5000112T255 M256 C257 G262 V263T255-D259 PolarHBondContact O-N 3.45Å; M256-D259 PolarHBondContact O-N 3.27Å; C257-D259 VanDerWaalsContact C-N 3.34Å; C257-D259 PolarHBondContact O-N 2.92Å; D259-G262 PolarHBondContact O-N 3.49Å; D259-V263 WeakPolarHBondContact O-CG2 3.36Å; D259-V263 PolarHBondContact O-N 3.39Å
260T79Confident76.4Confident84 Ų8464.3 Ų64.352%0.51537%0.367SS..Hα-helixtrans-66.7-41.8-179.551.20000112.7M256 C257 G262 V263 H264M256-T260 WeakPolarHBondContact O-CB 3.33Å; M256-T260 VanDerWaalsContact O-CG2 3.29Å; M256-T260 WeakPolarHBondContact O-CG2 3.39Å; M256-T260 PolarHBondContact O-N 3.04Å; M256-T260 PolarHBondContact O-OG1 3.34Å; C257-T260 WeakPolarHBondContact CA-OG1 3.41Å; C257-T260 PolarHBondContact O-N 3.35Å; C257-T260 PolarHBondContact O-OG1 2.8Å; T260-G262 VanDerWaalsContact C-N 3.33Å; T260-V263 PolarHBondContact O-N 2.93Å; T260-H264 PolarHBondContact O-N 2.96Å
261V79.7Confident75Confident84 Ų8471.5 Ų71.551%0.50940%0.397SS..Hα-helixtrans-64.3-40.7173.4172.10000110.3C257 V263 H264 L265C257-V261 WeakPolarHBondContact O-CB 3.33Å; C257-V261 VanDerWaalsContact O-CG2 3.26Å; C257-V261 WeakPolarHBondContact O-CG2 3.45Å; C257-V261 PolarHBondContact O-N 2.91Å; V261-V263 PolarHBondContact O-N 3.39Å; V261-H264 PolarHBondContact O-N 3.5Å; V261-L265 HydrophobicContact CG1-CD1 3.8Å; V261-L265 HydrophobicContact CG1-CG 4.13Å; V261-L265 WeakPolarHBondContact O-CB 3.4Å; V261-L265 WeakPolarHBondContact O-CG 3.29Å; V261-L265 PolarHBondContact O-N 3.22Å
262G77.1Confident73.5Confident39 Ų3974.8 Ų74.840%0.40242%0.417SS..Hα-helixtrans-56.9-48.5175.100000112.5I258 D259 T260 H264 L265 A266I258-G262 PolarHBondContact O-N 3.2Å; D259-G262 PolarHBondContact O-N 3.49Å; T260-G262 VanDerWaalsContact C-N 3.33Å; G262-H264 PolarHBondContact O-N 3.47Å; G262-L265 PolarHBondContact O-N 3.45Å; G262-A266 WeakPolarHBondContact O-CB 3.22Å; G262-A266 PolarHBondContact O-N 3.23Å
263V75.6Confident72.2Confident109 Ų10977.8 Ų77.866%0.66143%0.432SS*.Hα-helixtrans-63.3-41.2176174.20000111.5D259 T260 V261 A266 G267D259-V263 WeakPolarHBondContact O-CG2 3.36Å; D259-V263 PolarHBondContact O-N 3.39Å; T260-V263 PolarHBondContact O-N 2.93Å; V261-V263 PolarHBondContact O-N 3.39Å; V263-A266 PolarHBondContact O-N 2.92Å; V263-G267 PolarHBondContact O-N 3.46Å
264H75.5Confident71.1Confident141 Ų14179.9 Ų79.965%0.65344%0.439SS*.Hα-helixtrans-65.8-43.9178.6-16977.1000112.3T260 V261 G262 G267 A268T260-H264 PolarHBondContact O-N 2.96Å; V261-H264 PolarHBondContact O-N 3.5Å; G262-H264 PolarHBondContact O-N 3.47Å; H264-G267 PolarHBondContact O-N 2.82Å; H264-A268 VanDerWaalsContact O-CB 3.25Å; H264-A268 WeakPolarHBondContact O-CB 3.4Å; H264-A268 PolarHBondContact O-N 3.3Å
265L73.3Confident70.1Confident101 Ų10182.9 Ų82.953%0.52946%0.457SS..Hα-helixtrans-65.4-39176.7-72.7175.1000111.7V261 G262 A268 R269V261-L265 HydrophobicContact CG1-CD1 3.8Å; V261-L265 HydrophobicContact CG1-CG 4.13Å; V261-L265 WeakPolarHBondContact O-CB 3.4Å; V261-L265 WeakPolarHBondContact O-CG 3.29Å; V261-L265 PolarHBondContact O-N 3.22Å; G262-L265 PolarHBondContact O-N 3.45Å; L265-A268 PolarHBondContact O-N 3.36Å; L265-R269 WeakPolarHBondContact O-CB 3.03Å; L265-R269 WeakPolarHBondContact O-CG 3.48Å; L265-R269 PolarHBondContact O-N 3.32Å
266A66.3Low69.3Low51 Ų5185.2 Ų85.242%0.42147%0.468SS..Hα-helixtrans-61-49.717300000111.1G262 V263 A268 R269 D270G262-A266 WeakPolarHBondContact O-CB 3.22Å; G262-A266 PolarHBondContact O-N 3.23Å; V263-A266 PolarHBondContact O-N 2.92Å; A266-A268 VanDerWaalsContact C-N 3.31Å; A266-A268 PolarHBondContact O-N 3.01Å; A266-R269 WeakPolarHBondContact O-CB 3.31Å; A266-R269 PolarHBondContact O-N 2.9Å; A266-D270 PolarHBondContact O-N 3.46Å
267G61.5Low68.6Low25 Ų2588.4 Ų88.426%0.25849%0.488SS..Hα-helixtrans-65.4-31176.400000113.8V263 H264 K271V263-G267 PolarHBondContact O-N 3.46Å; H264-G267 PolarHBondContact O-N 2.82Å; G267-K271 WeakPolarHBondContact O-CG 3.26Å; G267-K271 PolarHBondContact O-N 2.85Å; G267-K271 VanDerWaalsContact O-N 3.15Å
268A65.1Low68.3Low42 Ų4286.2 Ų86.235%0.34747%0.473SS..Hα-helixtrans-69.7-43.7174.500000111.2H264 L265 A266 D270 K271 V272H264-A268 VanDerWaalsContact O-CB 3.25Å; H264-A268 WeakPolarHBondContact O-CB 3.4Å; H264-A268 PolarHBondContact O-N 3.3Å; L265-A268 PolarHBondContact O-N 3.36Å; A266-A268 VanDerWaalsContact C-N 3.31Å; A266-A268 PolarHBondContact O-N 3.01Å; A268-D270 VanDerWaalsContact C-N 3.3Å; A268-D270 PolarHBondContact O-N 3.22Å; A268-K271 CarbonylContact O-C 3.57Å; A268-K271 PolarHBondContact O-N 3.46Å; A268-K271 VanDerWaalsContact O-N 3.14Å; A268-V272 WeakPolarHBondContact O-CG2 3.39Å; A268-V272 PolarHBondContact O-N 3.06Å; A268-V272 VanDerWaalsContact O-N 3.1Å
269R60.1Low67.7Low202 Ų20288.3 Ų88.376%0.76248%0.478SS*.Hα-helixtrans-56.5-43.3172.8-79.1-179.6175.8175.70111.5L265 A266 K271 V272L265-R269 WeakPolarHBondContact O-CB 3.03Å; L265-R269 WeakPolarHBondContact O-CG 3.48Å; L265-R269 PolarHBondContact O-N 3.32Å; A266-R269 WeakPolarHBondContact O-CB 3.31Å; A266-R269 PolarHBondContact O-N 2.9Å; R269-K271 VanDerWaalsContact C-N 3.3Å; R269-K271 PolarHBondContact O-N 3.38Å; R269-V272 VanDerWaalsContact O-CB 3.31Å; R269-V272 WeakPolarHBondContact O-CB 3.44Å; R269-V272 WeakPolarHBondContact O-CG2 3.4Å; R269-V272 PolarHBondContact O-N 2.93Å; R269-V272 VanDerWaalsContact O-N 3.1Å
270D54.5Low67Low44 Ų4491.3 Ų91.324%0.23549%0.49CS..Hα-helixtrans-68.6-27.1178.1-74.7-27.3000113.7A266 A268 R457A266-D270 PolarHBondContact O-N 3.46Å; A268-D270 VanDerWaalsContact C-N 3.3Å; A268-D270 PolarHBondContact O-N 3.22Å; D270-R457 HydrophobicContact CB-CB 4.25Å; D270-R457 PolarHBondContact O-N 3.2Å
271K53.9Low66.2Low158 Ų15891.6 Ų91.669%0.68749%0.488SS*.THydrogen-bonded Turntrans-82.3-8.4172.4-75.3-179.8-174.7176.20113.8G267 A268 R269 M273G267-K271 WeakPolarHBondContact O-CG 3.26Å; G267-K271 PolarHBondContact O-N 2.85Å; G267-K271 VanDerWaalsContact O-N 3.15Å; A268-K271 CarbonylContact O-C 3.57Å; A268-K271 PolarHBondContact O-N 3.46Å; A268-K271 VanDerWaalsContact O-N 3.14Å; R269-K271 VanDerWaalsContact C-N 3.3Å; R269-K271 PolarHBondContact O-N 3.38Å; K271-M273 PolarHBondContact O-N 2.81Å
272V55.2Low65.1Low83 Ų8395 Ų9550%0.50350%0.499SS..  trans-60.5106.3177.8175.60000107.8A268 R269 H274A268-V272 WeakPolarHBondContact O-CG2 3.39Å; A268-V272 PolarHBondContact O-N 3.06Å; A268-V272 VanDerWaalsContact O-N 3.1Å; R269-V272 VanDerWaalsContact O-CB 3.31Å; R269-V272 WeakPolarHBondContact O-CB 3.44Å; R269-V272 WeakPolarHBondContact O-CG2 3.4Å; R269-V272 PolarHBondContact O-N 2.93Å; R269-V272 VanDerWaalsContact O-N 3.1Å; V272-H274 PolarHBondContact O-N 3.5Å
273M57.7Low64.3Low70 Ų7095.6 Ų95.635%0.34550%0.496SS..  trans-70.997.7177.7-66.3-67.1-82.400108.1K271 T275 K297 G454 L455 S456K271-M273 PolarHBondContact O-N 2.81Å; M273-T275 PolarHBondContact O-N 3.28Å; M273-T275 PolarHBondContact O-OG1 3.29Å; M273-T275 VanDerWaalsContact O-OG1 3.04Å; M273-K297 HydrophobicContact CE-CB 3.62Å; M273-G454 VanDerWaalsContact CE-C 3.42Å; M273-G454 VanDerWaalsContact CE-O 3.28Å; M273-G454 WeakPolarHBondContact CE-O 3.39Å; M273-L455 VanDerWaalsContact CA-O 3.3Å; M273-L455 WeakPolarHBondContact CA-O 3.38Å; M273-S456 WeakPolarHBondContact SD-CB 3.22Å
274H60.4Low63.6Low130 Ų13097.1 Ų97.160%0.60250%0.5SS*.EExtended strand (participates in β ladder)trans-59.1112.5167-78.2-81.3000107.4V272 G454 L455V272-H274 PolarHBondContact O-N 3.5Å; H274-G454 WeakPolarHBondContact O-CA 3.17Å; H274-L455 HydrophobicContact CB-CB 4.45Å; H274-L455 PolarHBondContact N-O 3Å; H274-L455 VanDerWaalsContact N-O 3.12Å; H274-L455 PolarHBondContact O-N 2.77Å
275T64.4Low63.1Low77 Ų7792.1 Ų92.147%0.47248%0.478SS..EExtended strand (participates in β ladder)trans-102108.7-172.9-59.90000109.1M273 R452 L453M273-T275 PolarHBondContact O-N 3.28Å; M273-T275 PolarHBondContact O-OG1 3.29Å; M273-T275 VanDerWaalsContact O-OG1 3.04Å; T275-R452 HydrophobicContact CG2-CG 3.42Å; T275-R452 VanDerWaalsContact CG2-CG 3.42Å; T275-L453 CarbonylContact C-O 3.46Å; T275-L453 VanDerWaalsContact CA-O 3.28Å; T275-L453 WeakPolarHBondContact CA-O 3.14Å
276L66.6Low62.3Low77 Ų7793.7 Ų93.740%0.40348%0.482SS..EExtended strand (participates in β ladder)trans-98.8137.1172.7-63.5169.5000109L285 R452 L453L276-L285 HydrophobicContact CD1-CD2 3.57Å; L276-R452 CarbonylContact O-C 3.49Å; L276-R452 WeakPolarHBondContact O-CA 3.49Å; L276-L453 HydrophobicContact CB-CB 4.34Å; L276-L453 PolarHBondContact N-O 3.14Å; L276-L453 PolarHBondContact O-N 3.42Å
277V71.2Confident61.7Low92 Ų9298.3 Ų98.356%0.55850%0.5SS*.EExtended strand (participates in β ladder)trans-118111.6173.7-177.90000107.9K450 T451 R452V277-K450 HydrophobicContact CG1-CB 4.49Å; V277-T451 WeakPolarHBondContact CA-O 3.49Å; V277-R452 HydrophobicContact CG2-CG 4.33Å
278T72.9Confident61.5Low21 Ų2198.9 Ų98.913%0.12950%0.497CS..EExtended strand (participates in β ladder)trans-121153.3177.7-172.60000111.1Q280 C283 T451T278-Q280 PolarHBondContact OG1-N 3.32Å; T278-C283 HydrophobicContact CG2-CB 4.23Å; T278-T451 PolarHBondContact N-O 3.15Å; T278-T451 PolarHBondContact O-N 3.49Å
279K71.4Confident60.8Low152 Ų15299.4 Ų99.466%0.66150%0.497SS*.SBendtrans-97.3-10.3168-63.8-178.6-178.3177.10111.9
280Q66.5Low60.5Low135 Ų13590.3 Ų90.363%0.63147%0.465SS*.SBendtrans-81151.2-177.7-66.2173.4-29.600110.8T278 E282 Y435T278-Q280 PolarHBondContact OG1-N 3.32Å; Q280-E282 WeakPolarHBondContact CB-O 3.31Å; Q280-E282 PolarHBondContact O-N 3.01Å; Q280-Y435 PolarHBondContact O-OH 3.4Å
281N62.1Low60.5Low91 Ų9194.9 Ų94.949%0.48748%0.483SS..SBendtrans-72.6-14.7175.5-70.12.6000112.3Y435N281-Y435 VanDerWaalsContact CA-OH 3.31Å; N281-Y435 WeakPolarHBondContact CA-OH 3.43Å; N281-Y435 WeakPolarHBondContact O-CE1 3.43Å; N281-Y435 PolarHBondContact O-OH 3.3Å
282E55.4Low60.5Low155 Ų15588 Ų8872%0.72445%0.454SS*.  trans-131.2142.3-177.6-64.9175.7-173.300109.2Q280Q280-E282 WeakPolarHBondContact CB-O 3.31Å; Q280-E282 PolarHBondContact O-N 3.01Å
283C61Low60.8Low52 Ų5284.6 Ų84.635%0.35144%0.435SS..  trans-143.1116.8178.4-178.50000108.6T278 L453T278-C283 HydrophobicContact CG2-CB 4.23Å; C283-L453 HydrophobicContact CB-CD1 4.44Å
284L61.6Low61Low140 Ų14082 Ų8273%0.73342%0.421SS*.  trans-80.2120.9175.5-174.367.3000109.3E286L284-E286 HydrophobicContact CD2-CG 4.13Å; L284-E286 HydrophobicContact CG-CG 4.16Å
285L63.3Low61.3Low37 Ų3777.5 Ų77.519%0.19440%0.404CS..  trans-91.1109.8174.1-68.1170.8000109.4L276 L288 I296 L453 L455L276-L285 HydrophobicContact CD1-CD2 3.57Å; L285-L288 HydrophobicContact CB-CD1 3.92Å; L285-L288 HydrophobicContact CB-CG 4.49Å; L285-I296 HydrophobicContact CD1-CD1 3.64Å; L285-I296 HydrophobicContact CD1-CG1 4.38Å; L285-L453 HydrophobicContact CD1-CD2 4.11Å; L285-L453 HydrophobicContact CD2-CD2 4.2Å; L285-L455 HydrophobicContact CD1-CD1 4.27Å
286E56.7Low61.6Low134 Ų13474.3 Ų74.363%0.62638%0.384SS*.  trans-94.4163.9179.8-62.7-178.1177.500112L284 L288L284-E286 HydrophobicContact CD2-CG 4.13Å; L284-E286 HydrophobicContact CG-CG 4.16Å; E286-L288 VanDerWaalsContact C-N 3.32Å; E286-L288 PolarHBondContact O-N 2.86Å
287N54.3Low61.8Low147 Ų14774.7 Ų74.779%0.78638%0.383SS*.SBendtrans58.727.6175-56.8-29.9000117.2
288L56.9Low61.9Low38 Ų3870.8 Ų70.820%0.19936%0.359CS..PPolyproline II helixtrans-72.9135.7170.7-62.9163000111.1L285 E286 Y294 T316 L455L285-L288 HydrophobicContact CB-CD1 3.92Å; L285-L288 HydrophobicContact CB-CG 4.49Å; E286-L288 VanDerWaalsContact C-N 3.32Å; E286-L288 PolarHBondContact O-N 2.86Å; L288-Y294 HydrophobicContact CB-CE2 4.12Å; L288-Y294 HydrophobicContact CD2-CD1 3.97Å; L288-Y294 HydrophobicContact CD2-CD2 4.14Å; L288-Y294 HydrophobicContact CD2-CE1 3.76Å; L288-Y294 HydrophobicContact CD2-CE2 3.93Å; L288-Y294 HydrophobicContact CD2-CG 4.15Å; L288-T316 HydrophobicContact CB-CG2 3.99Å; L288-T316 HydrophobicContact CD1-CG2 4.22Å; L288-L455 HydrophobicContact CD2-CD1 4.04Å; L288-L455 HydrophobicContact CD2-CD2 3.58Å; L288-L455 HydrophobicContact CD2-CG 4.42Å
289C51.8Low61.9Low53 Ų5371.1 Ų71.136%0.35836%0.361SS..PPolyproline II helixtrans-64.4139.8167.7-51.80000110.6Y294 T316C289-Y294 WeakPolarHBondContact CA-OH 3.33Å; C289-Y294 VanDerWaalsContact CB-OH 3.27Å; C289-Y294 WeakPolarHBondContact CB-OH 3.35Å; C289-Y294 PolarHBondContact N-OH 2.7Å; C289-Y294 WeakPolarHBondContact O-CE2 3.36Å; C289-Y294 PolarHBondContact O-OH 2.89Å; C289-T316 WeakPolarHBondContact O-CB 3.26Å; C289-T316 PolarHBondContact O-OG1 3.42Å
290S51.9Low62.1Low11 Ų1165.1 Ų65.18%0.07734%0.336CS..SBendtrans-70.7163.3174.355.60000112.8T292 T316 E317 Y401S290-T292 PolarHBondContact O-N 3.16Å; S290-T292 VanDerWaalsContact O-N 3.13Å; S290-T292 PolarHBondContact O-OG1 3.4Å; S290-T316 VanDerWaalsContact C-OG1 3.31Å; S290-T316 WeakPolarHBondContact CA-OG1 3.41Å; S290-E317 VanDerWaalsContact CB-O 3.26Å; S290-E317 WeakPolarHBondContact CB-O 3.43Å; S290-Y401 PolarHBondContact OG-OH 2.83Å
291F54.3Low62.3Low140 Ų14059.9 Ų59.961%0.61432%0.315SS*.SBendtrans4740.2-179.7-161.4-107.8000113.4T316 E317 P318F291-T316 WeakPolarHBondContact CA-O 3.44Å; F291-T316 PolarHBondContact N-O 3.24Å; F291-T316 PolarHBondContact N-OG1 3.39Å; F291-E317 PolarHBondContact N-O 3.24Å; F291-E317 VanDerWaalsContact N-O 3.09Å; F291-P318 HydrophobicContact CB-CB 4.26Å; F291-P318 HydrophobicContact CD2-CB 3.98Å; F291-P318 HydrophobicContact CD2-CG 4.13Å; F291-P318 HydrophobicContact CG-CB 4.46Å
292T53.9Low62.8Low13 Ų1358.6 Ų58.68%0.0831%0.308CS..  trans-130.9130.4-174.3-62.90000109.8S290 Y294 T316 R457S290-T292 PolarHBondContact O-N 3.16Å; S290-T292 VanDerWaalsContact O-N 3.13Å; S290-T292 PolarHBondContact O-OG1 3.4Å; T292-Y294 HydrophobicContact CG2-CD2 4.21Å; T292-Y294 HydrophobicContact CG2-CE1 4.2Å; T292-Y294 HydrophobicContact CG2-CE2 3.63Å; T292-Y294 VanDerWaalsContact O-CD2 3.26Å; T292-Y294 WeakPolarHBondContact O-CD2 3.41Å; T292-Y294 WeakPolarHBondContact O-CE2 3.28Å; T292-T316 PolarHBondContact N-OG1 3.05Å; T292-T316 PolarHBondContact O-N 3.17Å; T292-T316 PolarHBondContact O-OG1 3.24Å; T292-T316 VanDerWaalsContact O-OG1 3.08Å; T292-R457 HydrophobicContact CG2-CG 3.58Å; T292-R457 PolarHBondContact OG1-NH2 3.49Å
293A63.2Low63.5Low12 Ų1253.6 Ų53.610%0.09930%0.298CS..EExtended strand (participates in β ladder)trans-78.6119.9173.400000110.6L313 V315 K458A293-L313 HydrophobicContact CB-CD1 4.27Å; A293-V315 HydrophobicContact CB-CG2 4.07Å; A293-K458 HydrophobicContact CB-CB 4.47Å; A293-K458 PolarHBondContact O-N 3.19Å
294Y61.7Low64Low16 Ų1661.4 Ų61.46%0.06333%0.325CS..EExtended strand (participates in β ladder)trans-107.8136.2173.3-65.5-86.7000110.5L288 C289 T292 L313 V314 T316 L455 S456 R457L288-Y294 HydrophobicContact CB-CE2 4.12Å; L288-Y294 HydrophobicContact CD2-CD1 3.97Å; L288-Y294 HydrophobicContact CD2-CD2 4.14Å; L288-Y294 HydrophobicContact CD2-CE1 3.76Å; L288-Y294 HydrophobicContact CD2-CE2 3.93Å; L288-Y294 HydrophobicContact CD2-CG 4.15Å; C289-Y294 WeakPolarHBondContact CA-OH 3.33Å; C289-Y294 VanDerWaalsContact CB-OH 3.27Å; C289-Y294 WeakPolarHBondContact CB-OH 3.35Å; C289-Y294 PolarHBondContact N-OH 2.7Å; C289-Y294 WeakPolarHBondContact O-CE2 3.36Å; C289-Y294 PolarHBondContact O-OH 2.89Å; T292-Y294 HydrophobicContact CG2-CD2 4.21Å; T292-Y294 HydrophobicContact CG2-CE1 4.2Å; T292-Y294 HydrophobicContact CG2-CE2 3.63Å; T292-Y294 VanDerWaalsContact O-CD2 3.26Å; T292-Y294 WeakPolarHBondContact O-CD2 3.41Å; T292-Y294 WeakPolarHBondContact O-CE2 3.28Å; Y294-L313 CarbonylContact O-C 3.59Å; Y294-L313 WeakPolarHBondContact O-CA 3.39Å; Y294-V314 PolarHBondContact N-O 2.89Å; Y294-V314 PolarHBondContact O-N 2.93Å; Y294-T316 HydrophobicContact CD2-CG2 3.76Å; Y294-T316 HydrophobicContact CE2-CG2 3.56Å; Y294-L455 HydrophobicContact CD1-CD1 3.88Å; Y294-L455 HydrophobicContact CD1-CD2 4.28Å; Y294-L455 HydrophobicContact CD1-CG 4.08Å; Y294-L455 HydrophobicContact CG-CD1 4.07Å; Y294-S456 CarbonylContact C-O 3.55Å; Y294-S456 WeakPolarHBondContact CA-O 3.47Å; Y294-R457 HydrophobicContact CD1-CB 4.38Å; Y294-R457 HydrophobicContact CE1-CB 4.23Å; Y294-R457 HydrophobicContact CE1-CG 4.3Å
295S66.7Low64.2Low35 Ų3564.6 Ų64.625%0.24533%0.328CS..EExtended strand (participates in β ladder)trans-97.6108.8167.8-177.50000108.7L312 S456S295-L312 CarbonylContact C-O 3.5Å; S295-L312 WeakPolarHBondContact CA-O 3.49Å; S295-S456 PolarHBondContact N-O 3.23Å; S295-S456 PolarHBondContact O-N 3.39Å
296I70.5Confident64.4Low9 Ų970.5 Ų70.55%0.04635%0.352CS..EExtended strand (participates in β ladder)trans-95.7121.5174.4-63.3168.5000108.7L285 N311 L312 V314 L453 G454 L455L285-I296 HydrophobicContact CD1-CD1 3.64Å; L285-I296 HydrophobicContact CD1-CG1 4.38Å; I296-N311 CarbonylContact O-C 3.58Å; I296-N311 WeakPolarHBondContact O-CA 3.3Å; I296-L312 HydrophobicContact CB-CB 4.25Å; I296-L312 PolarHBondContact N-O 2.95Å; I296-L312 PolarHBondContact O-N 2.79Å; I296-V314 HydrophobicContact CD1-CB 4.27Å; I296-V314 HydrophobicContact CD1-CG2 3.81Å; I296-L453 HydrophobicContact CG2-CD2 3.48Å; I296-L453 VanDerWaalsContact CG2-CD2 3.48Å; I296-L453 HydrophobicContact CG2-CG 4.07Å; I296-G454 CarbonylContact C-O 3.56Å; I296-G454 WeakPolarHBondContact CA-O 3.2Å; I296-L455 HydrophobicContact CD1-CD1 4.14Å; I296-L455 HydrophobicContact CG1-CD1 3.53Å
297K70Confident65.2Low86 Ų8667 Ų6737%0.37434%0.342SS..EExtended strand (participates in β ladder)trans-103.5109.4171.9-174.1171.7-175.4177.20109.7M273 P309 I310 N311 G454M273-K297 HydrophobicContact CE-CB 3.62Å; K297-P309 HydrophobicContact CD-CB 4.2Å; K297-P309 VanDerWaalsContact CE-CG 3.48Å; K297-P309 HydrophobicContact CG-CB 3.88Å; K297-I310 CarbonylContact C-O 3.51Å; K297-I310 WeakPolarHBondContact CA-O 3.34Å; K297-N311 WeakPolarHBondContact CG-OD1 3.33Å; K297-G454 PolarHBondContact N-O 2.57Å; K297-G454 PolarHBondContact O-N 2.83Å
298L74.1Confident66.1Low10 Ų1065.3 Ų65.35%0.05234%0.339CS..EExtended strand (participates in β ladder)trans-93.5121.9174.7-171.273.5000109.5P309 I310 T451 L453L298-P309 CarbonylContact O-C 3.59Å; L298-P309 VanDerWaalsContact O-CA 3.26Å; L298-P309 WeakPolarHBondContact O-CA 3.44Å; L298-I310 HydrophobicContact CB-CB 4.27Å; L298-I310 HydrophobicContact CD2-CD1 4.37Å; L298-I310 PolarHBondContact N-O 3.05Å; L298-I310 PolarHBondContact O-N 3.14Å; L298-T451 HydrophobicContact CD1-CG2 3.29Å; L298-T451 HydrophobicContact CG-CG2 4.16Å; L298-L453 HydrophobicContact CD1-CB 4.48Å; L298-L453 HydrophobicContact CD1-CD1 3.56Å; L298-L453 HydrophobicContact CD1-CG 3.86Å
299T71.6Confident66.8Low28 Ų2866.2 Ų66.217%0.17235%0.347CS..EExtended strand (participates in β ladder)trans-122.6113.4173.8-51.50000109R452T299-R452 PolarHBondContact N-O 3.06Å; T299-R452 PolarHBondContact O-N 3.08Å
300V75.8Confident67.8Low25 Ų2567.9 Ų67.915%0.15235%0.351CS..EExtended strand (participates in β ladder)trans-89.3130.7176.2-177.10000108.9C307 L449V300-C307 HydrophobicContact CB-CB 4.37Å; V300-C307 PolarHBondContact O-N 2.75Å; V300-L449 HydrophobicContact CG1-CD2 3.64Å
301S71.6Confident68.5Low25 Ų2572.4 Ų72.418%0.17537%0.374CS..EExtended strand (participates in β ladder)trans-121.7128.7174.658.20000110.8R305 K450S301-R305 CarbonylContact C-O 3.58Å; S301-R305 WeakPolarHBondContact CA-O 3.18Å; S301-K450 PolarHBondContact N-O 3.17Å; S301-K450 PolarHBondContact O-N 2.98Å; S301-K450 PolarHBondContact OG-O 2.81Å
302L73.5Confident69Low65 Ų6568.2 Ų68.234%0.3436%0.358SS..EExtended strand (participates in β ladder)trans-109.397.3173.6-172.975.2000107.4K304 R305 H447 L449L302-K304 PolarHBondContact O-N 2.8Å; L302-K304 VanDerWaalsContact O-N 3.12Å; L302-R305 PolarHBondContact N-O 3Å; L302-R305 PolarHBondContact O-N 2.83Å; L302-H447 HydrophobicContact CD1-CB 3.72Å; L302-H447 HydrophobicContact CG-CB 3.96Å; L302-L449 HydrophobicContact CB-CD2 4.48Å; L302-L449 HydrophobicContact CD1-CD2 3.84Å; L302-L449 HydrophobicContact CD1-CG 3.79Å
303G69.8Low69.3Low50 Ų5072.8 Ų72.852%0.51538%0.382SS..THydrogen-bonded Turntrans59-114.7-173.900000112.2
304K71Confident69.3Low215 Ų21573.9 Ų73.994%0.93539%0.387SS*.THydrogen-bonded Turntrans-87.5-16176.5-66.2-175.2-177.8178.20113.7L302L302-K304 PolarHBondContact O-N 2.8Å; L302-K304 VanDerWaalsContact O-N 3.12Å
305R66.5Low68.8Low208 Ų20877.2 Ų77.279%0.78541%0.409SS*.EExtended strand (participates in β ladder)trans-84.6129.2179.8-74-174.8176.1177.8-0.2110.1S301 L302S301-R305 CarbonylContact C-O 3.58Å; S301-R305 WeakPolarHBondContact CA-O 3.18Å; L302-R305 PolarHBondContact N-O 3Å; L302-R305 PolarHBondContact O-N 2.83Å
306K67.5Low68.2Low161 Ų16176.7 Ų76.770%0.740%0.404SS*.EExtended strand (participates in β ladder)trans-105.7129172-67.5179.4-178.2172.80108.7
307C73.4Confident67.4Low60 Ų6080.1 Ų80.141%0.40542%0.42SS..PPolyproline II helixtrans-74155.5169.6-65.70000110V300V300-C307 HydrophobicContact CB-CB 4.37Å; V300-C307 PolarHBondContact O-N 2.75Å
308P73.3Confident66.6Low112 Ų11278.6 Ų78.673%0.72742%0.419SS*.PPolyproline II helixtrans-55.5138.7170.822.6-31.8000110.1
309P70.6Confident65.9Low56 Ų5679.2 Ų79.236%0.36442%0.421SS..PPolyproline II helixtrans-71.5136.3-176.528.7-34.1000111.3K297 L298K297-P309 HydrophobicContact CD-CB 4.2Å; K297-P309 VanDerWaalsContact CE-CG 3.48Å; K297-P309 HydrophobicContact CG-CB 3.88Å; L298-P309 CarbonylContact O-C 3.59Å; L298-P309 VanDerWaalsContact O-CA 3.26Å; L298-P309 WeakPolarHBondContact O-CA 3.44Å
310I72Confident65.5Low89 Ų8980.3 Ų80.346%0.45643%0.428SS..EExtended strand (participates in β ladder)trans-90121.3170.6-59.1168.3000107.2K297 L298 L312K297-I310 CarbonylContact C-O 3.51Å; K297-I310 WeakPolarHBondContact CA-O 3.34Å; L298-I310 HydrophobicContact CB-CB 4.27Å; L298-I310 HydrophobicContact CD2-CD1 4.37Å; L298-I310 PolarHBondContact N-O 3.05Å; L298-I310 PolarHBondContact O-N 3.14Å; I310-L312 HydrophobicContact CG2-CD2 3.78Å; I310-L312 HydrophobicContact CG2-CG 4.05Å
311N67.8Low65.3Low105 Ų10580.4 Ų80.456%0.56143%0.43SS*.EExtended strand (participates in β ladder)trans-100123.2174.6-56.9-53.2000108.7I296 K297I296-N311 CarbonylContact O-C 3.58Å; I296-N311 WeakPolarHBondContact O-CA 3.3Å; K297-N311 WeakPolarHBondContact CG-OD1 3.33Å
312L64.8Low65.6Low52 Ų5279.4 Ų79.427%0.27242%0.423SS..EExtended strand (participates in β ladder)trans-115.5130.6179.1-57.6174000108.2S295 I296 I310 V314 I433S295-L312 CarbonylContact C-O 3.5Å; S295-L312 WeakPolarHBondContact CA-O 3.49Å; I296-L312 HydrophobicContact CB-CB 4.25Å; I296-L312 PolarHBondContact N-O 2.95Å; I296-L312 PolarHBondContact O-N 2.79Å; I310-L312 HydrophobicContact CG2-CD2 3.78Å; I310-L312 HydrophobicContact CG2-CG 4.05Å; L312-V314 HydrophobicContact CB-CG2 4.47Å; L312-I433 HydrophobicContact CD1-CD1 3.81Å; L312-I433 HydrophobicContact CD1-CG1 4.44Å; L312-I433 HydrophobicContact CD1-CG2 4.19Å
313L60Low66Low110 Ų11079.3 Ų79.358%0.57642%0.421SS*.EExtended strand (participates in β ladder)trans-98.5112.3169.6-176.371.4000107.3A293 Y294 K458A293-L313 HydrophobicContact CB-CD1 4.27Å; Y294-L313 CarbonylContact O-C 3.59Å; Y294-L313 WeakPolarHBondContact O-CA 3.39Å; L313-K458 HydrophobicContact CD1-CD 4.25Å
314V63.5Low66.5Low35 Ų3582.9 Ų82.921%0.21243%0.428CS..EExtended strand (participates in β ladder)trans-114.3115.8178.8179.50000107.9Y294 I296 L312 I433Y294-V314 PolarHBondContact N-O 2.89Å; Y294-V314 PolarHBondContact O-N 2.93Å; I296-V314 HydrophobicContact CD1-CB 4.27Å; I296-V314 HydrophobicContact CD1-CG2 3.81Å; L312-V314 HydrophobicContact CB-CG2 4.47Å; V314-I433 HydrophobicContact CG2-CD1 4.29Å
315V51.7Low67.1Low86 Ų8674 Ų7452%0.52139%0.39SS..EExtended strand (participates in β ladder)trans-91.2118.8171.7-176.40000107.4A293A293-V315 HydrophobicContact CB-CG2 4.07Å
316T52.4Low68Low23 Ų2367.2 Ų67.214%0.14137%0.372CS..PPolyproline II helixtrans-70.2138.9171.952.20000109.4L288 C289 S290 F291 T292 Y294L288-T316 HydrophobicContact CB-CG2 3.99Å; L288-T316 HydrophobicContact CD1-CG2 4.22Å; C289-T316 WeakPolarHBondContact O-CB 3.26Å; C289-T316 PolarHBondContact O-OG1 3.42Å; S290-T316 VanDerWaalsContact C-OG1 3.31Å; S290-T316 WeakPolarHBondContact CA-OG1 3.41Å; F291-T316 WeakPolarHBondContact CA-O 3.44Å; F291-T316 PolarHBondContact N-O 3.24Å; F291-T316 PolarHBondContact N-OG1 3.39Å; T292-T316 PolarHBondContact N-OG1 3.05Å; T292-T316 PolarHBondContact O-N 3.17Å; T292-T316 PolarHBondContact O-OG1 3.24Å; T292-T316 VanDerWaalsContact O-OG1 3.08Å; Y294-T316 HydrophobicContact CD2-CG2 3.76Å; Y294-T316 HydrophobicContact CE2-CG2 3.56Å
317E55.7Low68.9Low81 Ų8160.8 Ų60.838%0.37935%0.345SS..PPolyproline II helixtrans-67.5153.7-178.3-67.3154.1-158.600111.4S290 F291 S429S290-E317 VanDerWaalsContact CB-O 3.26Å; S290-E317 WeakPolarHBondContact CB-O 3.43Å; F291-E317 PolarHBondContact N-O 3.24Å; F291-E317 VanDerWaalsContact N-O 3.09Å; E317-S429 VanDerWaalsContact OE1-C 3.3Å; E317-S429 WeakPolarHBondContact OE1-CA 3.42Å; E317-S429 WeakPolarHBondContact OE1-CB 3.31Å; E317-S429 WeakPolarHBondContact OE2-CB 3.5Å
318P52.4Low69.6Low55 Ų5564.5 Ų64.536%0.35735%0.354SS..PPolyproline II helixtrans-68138.3167.327.6-29.6000110.3F291 P404F291-P318 HydrophobicContact CB-CB 4.26Å; F291-P318 HydrophobicContact CD2-CB 3.98Å; F291-P318 HydrophobicContact CD2-CG 4.13Å; F291-P318 HydrophobicContact CG-CB 4.46Å; P318-P404 HydrophobicContact CB-CG 3.79Å; P318-P404 HydrophobicContact CG-CG 3.97Å
319E58.4Low70Confident22 Ų2262.9 Ų62.910%0.10334%0.344CS..PPolyproline II helixtrans-61146170.9-63.9-74-157.100110.1K344 K346 Y398 P404E319-K344 VanDerWaalsContact OE2-CB 3.31Å; E319-K344 WeakPolarHBondContact OE2-CB 2.93Å; E319-K346 PolarHBondContact OE1-N 3.41Å; E319-Y398 HydrophobicContact CB-CE2 4.37Å; E319-P404 VanDerWaalsContact O-CD 3.26Å; E319-P404 WeakPolarHBondContact O-CD 2.87Å
320T63.7Low70.7Confident51 Ų5164.7 Ų64.731%0.31335%0.35SS..PPolyproline II helixtrans-67.8153.4-173.251.10000112.7P342T320-P342 WeakPolarHBondContact O-CB 3.49Å
321S71.4Confident71.2Confident27 Ų2765.1 Ų65.119%0.18935%0.353CS..PPolyproline II helixtrans-60166.2166.668.20000111.4P404S321-P404 VanDerWaalsContact CB-O 3.27Å; S321-P404 WeakPolarHBondContact CB-O 3.4Å
322P78.2Confident72Confident4 Ų465 Ų653%0.02636%0.36CS..PPolyproline II helixtrans-51.7145.7170.6-24.934.9000111.8I325 W339 Y352 M394P322-I325 HydrophobicContact CB-CG1 4.47Å; P322-W339 HydrophobicContact CB-CB 4.2Å; P322-W339 HydrophobicContact CB-CG 4.28Å; P322-Y352 HydrophobicContact CB-CD1 4.37Å; P322-Y352 HydrophobicContact CB-CE1 4.31Å; P322-Y352 HydrophobicContact CG-CD1 3.61Å; P322-Y352 HydrophobicContact CG-CE1 3.84Å; P322-M394 HydrophobicContact CG-CB 4.11Å
323Q81.3Confident73Confident64 Ų6468.5 Ų68.530%0.29937%0.373SS..EExtended strand (participates in β ladder)trans-103.9167.9-178.7-67-160.8-4.100112.1I325 S340 C343Q323-I325 VanDerWaalsContact C-N 3.27Å; Q323-I325 PolarHBondContact O-N 3.3Å; Q323-S340 WeakPolarHBondContact CB-OG 3.46Å; Q323-S340 PolarHBondContact N-O 3.15Å; Q323-S340 PolarHBondContact O-N 2.83Å; Q323-S340 PolarHBondContact O-OG 2.95Å; Q323-C343 PolarHBondContact NE2-SG 3.19Å; Q323-C343 PolarHBondContact OE1-SG 3.24Å
324N81.2Confident74.3Confident125 Ų12564 Ų6467%0.66835%0.351SS*.EExtended strand (participates in β ladder)trans4846.9175.6-59.4-28.9000113.4T326 S340N324-T326 PolarHBondContact O-N 2.9Å; N324-S340 WeakPolarHBondContact CB-OG 3.28Å; N324-S340 PolarHBondContact ND2-OG 2.61Å
325I84.5Confident75.5Confident28 Ų2862.3 Ų62.314%0.14434%0.341CS..EExtended strand (participates in β ladder)trans-73.5114.1178.9-55.8164.7000107.7P322 Q323 I327 R338 W339 M394 S406 I409P322-I325 HydrophobicContact CB-CG1 4.47Å; Q323-I325 VanDerWaalsContact C-N 3.27Å; Q323-I325 PolarHBondContact O-N 3.3Å; I325-I327 HydrophobicContact CG2-CG1 4.49Å; I325-R338 CarbonylContact C-O 3.52Å; I325-R338 WeakPolarHBondContact CA-O 3.26Å; I325-W339 HydrophobicContact CG1-CB 4.02Å; I325-M394 HydrophobicContact CD1-CB 3.89Å; I325-M394 HydrophobicContact CD1-CG 4.03Å; I325-M394 HydrophobicContact CD1-SD 4.03Å; I325-M394 HydrophobicContact CG1-SD 3.94Å; I325-M394 HydrophobicContact CG2-CG 4.45Å; I325-M394 HydrophobicContact CG2-SD 3.78Å; I325-S406 WeakPolarHBondContact CD1-OG 3.36Å; I325-I409 HydrophobicContact CB-CD1 3.6Å; I325-I409 HydrophobicContact CD1-CD1 4.34Å; I325-I409 HydrophobicContact CG2-CD1 3.66Å
326T85Confident77.3Confident65 Ų6561.2 Ų61.240%0.39933%0.329SS..EExtended strand (participates in β ladder)trans-115.8137.1177.457.10000109N324 L337 R338N324-T326 PolarHBondContact O-N 2.9Å; T326-L337 WeakPolarHBondContact O-CA 3.27Å; T326-R338 PolarHBondContact N-O 3.49Å; T326-R338 PolarHBondContact O-N 2.75Å; T326-R338 PolarHBondContact OG1-O 3.27Å
327I86.7Confident79.2Confident27 Ų2760.1 Ų60.114%0.13832%0.322CS..EExtended strand (participates in β ladder)trans-121.9123.7-177.9-52.9-169.8000107.1I325 V335 F336 L337 F392 I409 I411I325-I327 HydrophobicContact CG2-CG1 4.49Å; I327-V335 HydrophobicContact CG2-CG1 3.12Å; I327-F336 WeakPolarHBondContact CA-O 3.42Å; I327-L337 HydrophobicContact CD1-CD2 4.09Å; I327-L337 HydrophobicContact CD1-CG 4.48Å; I327-L337 HydrophobicContact CG1-CD2 4.13Å; I327-L337 HydrophobicContact CG1-CG 4.14Å; I327-L337 HydrophobicContact CG2-CG 4.46Å; I327-F392 HydrophobicContact CD1-CB 3.59Å; I327-F392 HydrophobicContact CD1-CD2 3.63Å; I327-F392 HydrophobicContact CD1-CG 3.74Å; I327-I409 HydrophobicContact CD1-CB 3.81Å; I327-I409 HydrophobicContact CD1-CG2 3.55Å; I327-I409 HydrophobicContact CG1-CG2 4.01Å; I327-I411 HydrophobicContact CG2-CD1 4.03Å; I327-I411 HydrophobicContact CG2-CG1 3.65Å
328K86.3Confident80.9Confident137 Ų13763.7 Ų63.760%0.59633%0.332SS*.EExtended strand (participates in β ladder)trans-124.6126.7175.7-65.3-169.6177.2-172.30109.7I330 F336K328-I330 PolarHBondContact O-N 2.92Å; K328-F336 PolarHBondContact N-O 3.21Å; K328-F336 PolarHBondContact O-N 2.86Å
329P83.4Confident82.7Confident79 Ų7961.3 Ų61.351%0.51332%0.316SS..EExtended strand (participates in β ladder)trans-65.3134168.628.5-32000108.8I411P329-I411 HydrophobicContact CB-CD1 4.38Å; P329-I411 HydrophobicContact CG-CG2 4.23Å
330I83.6Confident84Confident93 Ų9362 Ų6248%0.47732%0.323SS..EExtended strand (participates in β ladder)trans-101.9-50.7171.2-67.2-167.6000109.1K328 S334 F336 L380K328-I330 PolarHBondContact O-N 2.92Å; I330-S334 PolarHBondContact N-O 2.76Å; I330-F336 HydrophobicContact CD1-CB 3.5Å; I330-F336 HydrophobicContact CD1-CD2 4.13Å; I330-F336 HydrophobicContact CD1-CG 4.01Å; I330-F336 HydrophobicContact CG1-CB 3.71Å; I330-L380 HydrophobicContact CD1-CD1 3.81Å; I330-L380 HydrophobicContact CG1-CD1 4.46Å
331D83.5Confident85Confident99 Ų9961.8 Ų61.853%0.52932%0.324SS..EExtended strand (participates in β ladder)trans-133.8174-177.4-59.9-44.5000111K333 S334D331-K333 PolarHBondContact O-N 2.79Å; D331-S334 PolarHBondContact N-O 2.82Å; D331-S334 PolarHBondContact O-N 2.76Å
332S83.4Confident85.2Confident102 Ų10260.8 Ų60.871%0.71332%0.317SS*.THydrogen-bonded Turntrans-59.9-10.8176.257.60000115P387S332-P387 WeakPolarHBondContact O-CD 3.5Å
333K87.4Confident84.4Confident126 Ų12665 Ų6555%0.54835%0.346SS..THydrogen-bonded Turntrans-133.23.6179.1-59.5-169.7176.5-175.10114.4D331 D383 L384D331-K333 PolarHBondContact O-N 2.79Å; K333-D383 PolarHBondContact O-N 3.06Å; K333-L384 WeakPolarHBondContact CA-O 3.37Å; K333-L384 WeakPolarHBondContact CB-O 3.35Å; K333-L384 WeakPolarHBondContact CG-O 3.32Å; K333-L384 WeakPolarHBondContact O-CB 3.27Å; K333-L384 PolarHBondContact O-N 2.95Å
334S86.9Confident83.4Confident15 Ų1567.6 Ų67.611%0.10536%0.356CS..EExtended strand (participates in β ladder)trans-135.7133.8-168.2-57.90000112.1I330 D331 V381I330-S334 PolarHBondContact N-O 2.76Å; D331-S334 PolarHBondContact N-O 2.82Å; D331-S334 PolarHBondContact O-N 2.76Å; S334-V381 VanDerWaalsContact CA-O 3.31Å; S334-V381 WeakPolarHBondContact CA-O 3.26Å
335V88.7Confident82.2Confident0 Ų063.9 Ų63.90%034%0.34CS..EExtended strand (participates in β ladder)trans-127.9131.9-176.7175.70000110.1I327 L337 V381 L384 P387 F392 I411I327-V335 HydrophobicContact CG2-CG1 3.12Å; V335-L337 HydrophobicContact CG1-CD1 3.95Å; V335-V381 PolarHBondContact N-O 3.02Å; V335-V381 PolarHBondContact O-N 3.34Å; V335-L384 HydrophobicContact CB-CD1 3.88Å; V335-L384 HydrophobicContact CG2-CD1 3.44Å; V335-L384 VanDerWaalsContact CG2-CD1 3.44Å; V335-P387 HydrophobicContact CG2-CB 3.63Å; V335-P387 HydrophobicContact CG2-CG 4.21Å; V335-F392 HydrophobicContact CB-CZ 4.27Å; V335-F392 HydrophobicContact CG1-CE2 4.47Å; V335-F392 HydrophobicContact CG1-CZ 4.14Å; V335-F392 HydrophobicContact CG2-CZ 4.36Å; V335-I411 HydrophobicContact CB-CD1 4.45Å; V335-I411 HydrophobicContact CG1-CD1 3.97Å; V335-I411 HydrophobicContact CG2-CD1 3.53Å
336F90.5Very high81Confident63 Ų6369.3 Ų69.328%0.27636%0.362SS..EExtended strand (participates in β ladder)trans-99116.8177.9-174.3-102.6000110.8I327 K328 I330 R338 S378 L380I327-F336 WeakPolarHBondContact CA-O 3.42Å; K328-F336 PolarHBondContact N-O 3.21Å; K328-F336 PolarHBondContact O-N 2.86Å; I330-F336 HydrophobicContact CD1-CB 3.5Å; I330-F336 HydrophobicContact CD1-CD2 4.13Å; I330-F336 HydrophobicContact CD1-CG 4.01Å; I330-F336 HydrophobicContact CG1-CB 3.71Å; F336-R338 HydrophobicContact CE1-CB 4.09Å; F336-S378 VanDerWaalsContact CZ-CB 3.45Å; F336-L380 HydrophobicContact CB-CD1 4.31Å; F336-L380 HydrophobicContact CD2-CD1 4.45Å
337L90.6Very high80.1Confident0 Ų069.2 Ų69.20%036%0.359CS..EExtended strand (participates in β ladder)trans-101133.8174-70.593.9000109.6T326 I327 V335 W339 I354 S378 S379 V381 F392 M394T326-L337 WeakPolarHBondContact O-CA 3.27Å; I327-L337 HydrophobicContact CD1-CD2 4.09Å; I327-L337 HydrophobicContact CD1-CG 4.48Å; I327-L337 HydrophobicContact CG1-CD2 4.13Å; I327-L337 HydrophobicContact CG1-CG 4.14Å; I327-L337 HydrophobicContact CG2-CG 4.46Å; V335-L337 HydrophobicContact CG1-CD1 3.95Å; L337-W339 HydrophobicContact CB-CE3 4.15Å; L337-W339 HydrophobicContact CB-CZ3 3.92Å; L337-W339 WeakPolarHBondContact O-CZ3 3.5Å; L337-I354 HydrophobicContact CD2-CG2 4.06Å; L337-S378 CarbonylContact O-C 3.59Å; L337-S378 WeakPolarHBondContact O-CA 3.42Å; L337-S378 WeakPolarHBondContact O-CB 3.42Å; L337-S379 PolarHBondContact N-O 3.23Å; L337-S379 PolarHBondContact O-N 2.93Å; L337-V381 HydrophobicContact CD1-CB 4.38Å; L337-V381 HydrophobicContact CD1-CG2 3.7Å; L337-F392 HydrophobicContact CD1-CD1 3.99Å; L337-F392 HydrophobicContact CD1-CE1 4Å; L337-F392 HydrophobicContact CD2-CB 4.09Å; L337-F392 HydrophobicContact CD2-CD1 3.89Å; L337-F392 HydrophobicContact CD2-CG 4.15Å; L337-M394 HydrophobicContact CD2-SD 4.46Å
338R91Very high79.4Confident155 Ų15575.4 Ų75.459%0.58539%0.391SS*.EExtended strand (participates in β ladder)trans-129.9136.6171.1176.6-179.2-177.7136.30.7109.4I325 T326 F336I325-R338 CarbonylContact C-O 3.52Å; I325-R338 WeakPolarHBondContact CA-O 3.26Å; T326-R338 PolarHBondContact N-O 3.49Å; T326-R338 PolarHBondContact O-N 2.75Å; T326-R338 PolarHBondContact OG1-O 3.27Å; F336-R338 HydrophobicContact CE1-CB 4.09Å
339W91.6Very high79.1Confident6 Ų669.5 Ų69.52%0.02337%0.366CS..EExtended strand (participates in β ladder)trans-140.5163.1-179.15893.5000111P322 I325 L337 Y352 I354 V372 R377 M394P322-W339 HydrophobicContact CB-CB 4.2Å; P322-W339 HydrophobicContact CB-CG 4.28Å; I325-W339 HydrophobicContact CG1-CB 4.02Å; L337-W339 HydrophobicContact CB-CE3 4.15Å; L337-W339 HydrophobicContact CB-CZ3 3.92Å; L337-W339 WeakPolarHBondContact O-CZ3 3.5Å; W339-Y352 AromaticContact CD1-CD1 3.99Å; W339-Y352 AromaticContact CD1-CE1 3.95Å; W339-Y352 HydrophobicContact CZ2-CD2 4.28Å; W339-Y352 HydrophobicContact CZ2-CG 4.19Å; W339-Y352 AromaticContact NE1-CD1 3.51Å; W339-Y352 AromaticContact NE1-CD2 3.53Å; W339-Y352 AromaticContact NE1-CE1 3.72Å; W339-Y352 AromaticContact NE1-CE2 3.79Å; W339-Y352 AromaticContact NE1-CG 3.39Å; W339-Y352 AromaticContact NE1-CZ 3.87Å; W339-I354 HydrophobicContact CH2-CD1 3.81Å; W339-I354 HydrophobicContact CH2-CG1 4.46Å; W339-I354 HydrophobicContact CZ3-CD1 3.82Å; W339-I354 HydrophobicContact CZ3-CG1 4.48Å; W339-V372 HydrophobicContact CH2-CB 4.35Å; W339-V372 HydrophobicContact CH2-CG1 4.07Å; W339-V372 HydrophobicContact CH2-CG2 4.16Å; W339-V372 HydrophobicContact CZ2-CB 4.27Å; W339-V372 HydrophobicContact CZ2-CG1 3.93Å; W339-R377 PolarHBondContact N-O 2.93Å; W339-M394 HydrophobicContact CB-CE 4.35Å; W339-M394 HydrophobicContact CB-SD 4.13Å; W339-M394 HydrophobicContact CD2-CE 3.2Å; W339-M394 HydrophobicContact CD2-SD 3.88Å; W339-M394 VanDerWaalsContact CE2-CE 3.49Å; W339-M394 HydrophobicContact CE3-CE 3.35Å; W339-M394 HydrophobicContact CE3-SD 3.7Å; W339-M394 HydrophobicContact CG-CE 3.67Å; W339-M394 HydrophobicContact CG-SD 4.08Å; W339-M394 HydrophobicContact CH2-CE 4.02Å; W339-M394 HydrophobicContact CZ2-CE 3.9Å; W339-M394 HydrophobicContact CZ3-CE 3.75Å; W339-M394 HydrophobicContact CZ3-SD 4.39Å
340S85.7Confident78.9Confident36 Ų3672.5 Ų72.525%0.25237%0.371SS..EExtended strand (participates in β ladder)trans-104.8157.5169.463.10000111.1Q323 N324Q323-S340 WeakPolarHBondContact CB-OG 3.46Å; Q323-S340 PolarHBondContact N-O 3.15Å; Q323-S340 PolarHBondContact O-N 2.83Å; Q323-S340 PolarHBondContact O-OG 2.95Å; N324-S340 WeakPolarHBondContact CB-OG 3.28Å; N324-S340 PolarHBondContact ND2-OG 2.61Å
341S83.6Confident79Confident46 Ų4668.6 Ų68.632%0.32235%0.353SS..  trans-54.6150.9174.4-156.40000111
342P77.2Confident79.3Confident7 Ų763.9 Ų63.95%0.04533%0.328CS..  trans-53.8137.9171.1-26.635.7000112T320 K344 S396T320-P342 WeakPolarHBondContact O-CB 3.49Å; P342-K344 VanDerWaalsContact C-N 3.31Å; P342-K344 PolarHBondContact O-N 2.85Å; P342-S396 VanDerWaalsContact CG-OG 3.25Å; P342-S396 WeakPolarHBondContact CG-OG 3.32Å
343C61.1Low79.4Confident93 Ų9359.1 Ų59.163%0.62829%0.294SS*.SBendtrans-64.5-35.6178.2-95.30000112.7Q323Q323-C343 PolarHBondContact NE2-SG 3.19Å; Q323-C343 PolarHBondContact OE1-SG 3.24Å
344K60.6Low79.4Confident118 Ų11853.1 Ų53.151%0.51327%0.268SS..SBendtrans-112.8105.5173.6-63-176.7-179-178.40106.5E319 P342E319-K344 VanDerWaalsContact OE2-CB 3.31Å; E319-K344 WeakPolarHBondContact OE2-CB 2.93Å; P342-K344 VanDerWaalsContact C-N 3.31Å; P342-K344 PolarHBondContact O-N 2.85Å
345S55.9Low79.4Confident47 Ų4754.2 Ų54.233%0.32927%0.27SS..  trans-143.2106.9164.258.30000107.8
346K58Low79.2Confident142 Ų14255.7 Ų55.762%0.61728%0.276SS*.SBendtrans-76.1-31.6167.5-73.7-175176.4-178.80111.3E319E319-K346 PolarHBondContact OE1-N 3.41Å
347N66Low78.9Confident62 Ų6253 Ų5333%0.33227%0.266SS..SBendtrans-88.7144.2-179.3-65-28.7000111.2V349 Y398 Y401N347-V349 PolarHBondContact O-N 3.3Å; N347-Y398 HydrophobicContact CB-CD1 3.7Å; N347-Y398 HydrophobicContact CB-CE1 4.02Å; N347-Y398 WeakPolarHBondContact O-CE1 3.26Å; N347-Y401 PolarHBondContact ND2-OH 2.83Å
348I73.1Confident78.4Confident158 Ų15855 Ų5581%0.8128%0.276SS*.PPolyproline II helixtrans-66.2122.9173.5-59170.7000108.2K350I348-K350 PolarHBondContact O-N 3.2Å
349V79.4Confident77.3Confident12 Ų1253 Ų537%0.07327%0.273CS..PPolyproline II helixtrans-64.8128.7171-179.20000107.8N347 A351 Y352 A374 Y398N347-V349 PolarHBondContact O-N 3.3Å; V349-A351 WeakPolarHBondContact CG1-O 3.14Å; V349-Y352 HydrophobicContact CG1-CD1 4.4Å; V349-Y352 HydrophobicContact CG1-CD2 4.35Å; V349-Y352 HydrophobicContact CG1-CE1 4.02Å; V349-Y352 HydrophobicContact CG1-CE2 3.91Å; V349-A374 WeakPolarHBondContact O-CB 2.88Å; V349-Y398 HydrophobicContact CB-CE1 4.47Å; V349-Y398 HydrophobicContact CG2-CD1 4.49Å; V349-Y398 HydrophobicContact CG2-CE1 3.72Å
350K80Confident75.9Confident143 Ų14354.8 Ų54.862%0.62228%0.283SS*.  trans-89.3-36.5177.2-175.1177.2-178.1174.60111.8I348 A374 V397I348-K350 PolarHBondContact O-N 3.2Å; K350-A374 VanDerWaalsContact O-CB 3.28Å; K350-A374 WeakPolarHBondContact O-CB 3.02Å; K350-A374 PolarHBondContact O-N 2.8Å; K350-V397 PolarHBondContact N-O 2.85Å
351A85Confident74.5Confident11 Ų1157.5 Ų57.59%0.09130%0.3CS..EExtended strand (participates in β ladder)trans-159.3168.6176.700000111.1V349 I371 V372 V397V349-A351 WeakPolarHBondContact CG1-O 3.14Å; A351-I371 HydrophobicContact CB-CG2 3.71Å; A351-V372 CarbonylContact C-O 3.57Å; A351-V372 VanDerWaalsContact CA-O 3.25Å; A351-V372 WeakPolarHBondContact CA-O 3.42Å; A351-V372 VanDerWaalsContact CB-O 3.25Å; A351-V372 WeakPolarHBondContact CB-O 3.44Å; A351-V397 HydrophobicContact CB-CB 4.09Å; A351-V397 HydrophobicContact CB-CG2 4.34Å; A351-V397 PolarHBondContact N-O 2.82Å; A351-V397 WeakPolarHBondContact O-CA 3.28Å; A351-V397 VanDerWaalsContact O-CB 3.31Å; A351-V397 WeakPolarHBondContact O-CB 3.48Å; A351-V397 PolarHBondContact O-N 2.77Å
352Y89.3Confident73.5Confident0 Ų059 Ų590%030%0.304CS..EExtended strand (participates in β ladder)trans-111.4134.9167.7-64.5-84.3000109.3P322 W339 V349 I371 V372 R377P322-Y352 HydrophobicContact CB-CD1 4.37Å; P322-Y352 HydrophobicContact CB-CE1 4.31Å; P322-Y352 HydrophobicContact CG-CD1 3.61Å; P322-Y352 HydrophobicContact CG-CE1 3.84Å; W339-Y352 AromaticContact CD1-CD1 3.99Å; W339-Y352 AromaticContact CD1-CE1 3.95Å; W339-Y352 HydrophobicContact CZ2-CD2 4.28Å; W339-Y352 HydrophobicContact CZ2-CG 4.19Å; W339-Y352 AromaticContact NE1-CD1 3.51Å; W339-Y352 AromaticContact NE1-CD2 3.53Å; W339-Y352 AromaticContact NE1-CE1 3.72Å; W339-Y352 AromaticContact NE1-CE2 3.79Å; W339-Y352 AromaticContact NE1-CG 3.39Å; W339-Y352 AromaticContact NE1-CZ 3.87Å; V349-Y352 HydrophobicContact CG1-CD1 4.4Å; V349-Y352 HydrophobicContact CG1-CD2 4.35Å; V349-Y352 HydrophobicContact CG1-CE1 4.02Å; V349-Y352 HydrophobicContact CG1-CE2 3.91Å; Y352-I371 CarbonylContact O-C 3.56Å; Y352-I371 WeakPolarHBondContact O-CA 3.46Å; Y352-V372 PolarHBondContact N-O 3.34Å; Y352-V372 PolarHBondContact O-N 3.29Å; Y352-R377 VanDerWaalsContact CE2-NH1 3.28Å
353A85.2Confident72.7Confident1 Ų161 Ų611%0.00832%0.322CS..EExtended strand (participates in β ladder)trans-106.3119.4174.200000109.2Y355 M394 S395 V397A353-Y355 HydrophobicContact CB-CD2 4.41Å; A353-Y355 HydrophobicContact CB-CE2 3.58Å; A353-M394 WeakPolarHBondContact O-CA 3.47Å; A353-S395 PolarHBondContact N-O 2.84Å; A353-S395 PolarHBondContact O-N 2.92Å; A353-V397 HydrophobicContact CB-CG2 3.81Å
354I89.2Confident72.7Confident0 Ų062.2 Ų62.20%032%0.316CS..EExtended strand (participates in β ladder)trans-96.7125.7172.1-55.4169.1000107.1L337 W339 Y356 K369 K370 V372 F392 M394L337-I354 HydrophobicContact CD2-CG2 4.06Å; W339-I354 HydrophobicContact CH2-CD1 3.81Å; W339-I354 HydrophobicContact CH2-CG1 4.46Å; W339-I354 HydrophobicContact CZ3-CD1 3.82Å; W339-I354 HydrophobicContact CZ3-CG1 4.48Å; I354-Y356 HydrophobicContact CG2-CD1 4.41Å; I354-K369 CarbonylContact O-C 3.55Å; I354-K369 VanDerWaalsContact O-CA 3.32Å; I354-K369 WeakPolarHBondContact O-CA 3.25Å; I354-K370 HydrophobicContact CB-CB 4.4Å; I354-K370 PolarHBondContact N-O 2.7Å; I354-K370 PolarHBondContact O-N 3.14Å; I354-V372 HydrophobicContact CD1-CG2 3.86Å; I354-V372 HydrophobicContact CG1-CG2 4.46Å; I354-F392 HydrophobicContact CG2-CD1 4.4Å; I354-M394 HydrophobicContact CD1-CE 4.44Å; I354-M394 HydrophobicContact CG1-CE 3.71Å; I354-M394 HydrophobicContact CG1-CG 4.42Å; I354-M394 HydrophobicContact CG1-SD 4.45Å
355Y84.9Confident72.8Confident39 Ų3963.7 Ų63.715%0.15333%0.325CS..EExtended strand (participates in β ladder)trans-110.6132.6175.1-61.7-92.6000108.8A353 Q368 K369 F392 C393 L405A353-Y355 HydrophobicContact CB-CD2 4.41Å; A353-Y355 HydrophobicContact CB-CE2 3.58Å; Y355-Q368 CarbonylContact C-O 3.53Å; Y355-Q368 VanDerWaalsContact CA-O 3.28Å; Y355-Q368 WeakPolarHBondContact CA-O 3.47Å; Y355-K369 HydrophobicContact CD1-CB 4.08Å; Y355-K369 HydrophobicContact CE1-CB 4.03Å; Y355-F392 CarbonylContact O-C 3.49Å; Y355-F392 WeakPolarHBondContact O-CA 3.31Å; Y355-C393 PolarHBondContact N-O 2.95Å; Y355-C393 PolarHBondContact O-N 3.33Å; Y355-L405 HydrophobicContact CD2-CD2 3.47Å; Y355-L405 VanDerWaalsContact CD2-CD2 3.47Å; Y355-L405 HydrophobicContact CE2-CD2 3.68Å; Y355-L405 HydrophobicContact CG-CD2 4.22Å
356Y85.6Confident73.5Confident30 Ų3066.9 Ų66.912%0.11834%0.338CS..EExtended strand (participates in β ladder)trans-143.9144.3177.760.6-78.9000112.4I354 Q368 K370 V381 L384 Y390 Y391 F392I354-Y356 HydrophobicContact CG2-CD1 4.41Å; Y356-Q368 HydrophobicContact CD1-CB 4.34Å; Y356-Q368 HydrophobicContact CD2-CB 4.18Å; Y356-Q368 HydrophobicContact CE1-CB 3.95Å; Y356-Q368 HydrophobicContact CE2-CB 3.8Å; Y356-Q368 HydrophobicContact CE2-CG 4.45Å; Y356-Q368 HydrophobicContact CG-CB 4.42Å; Y356-Q368 PolarHBondContact N-O 2.79Å; Y356-Q368 WeakPolarHBondContact O-CB 3.25Å; Y356-Q368 PolarHBondContact O-N 2.8Å; Y356-Q368 PolarHBondContact OH-OE1 3.22Å; Y356-K370 HydrophobicContact CE1-CB 4.32Å; Y356-V381 HydrophobicContact CD1-CG1 4.27Å; Y356-V381 HydrophobicContact CD2-CG1 4.18Å; Y356-V381 HydrophobicContact CE1-CG1 3.95Å; Y356-V381 HydrophobicContact CE2-CG1 3.82Å; Y356-V381 HydrophobicContact CG-CG1 4.4Å; Y356-L384 HydrophobicContact CD2-CD2 3.83Å; Y356-L384 HydrophobicContact CE2-CD2 3.87Å; Y356-Y390 AromaticContact CD2-CD1 3.84Å; Y356-Y390 HydrophobicContact CD2-CD1 3.84Å; Y356-Y390 AromaticContact CD2-CE1 3.96Å; Y356-Y390 HydrophobicContact CD2-CE1 3.96Å; Y356-Y391 WeakPolarHBondContact CA-O 3.25Å; Y356-F392 HydrophobicContact CG-CD1 4.35Å; Y356-F392 HydrophobicContact CG-CE1 4.1Å
357S83.7Confident74.5Confident8 Ų862 Ų626%0.05632%0.316CS..EExtended strand (participates in β ladder)trans-158.2141.4179.4-175.80000110.9H359 Y391S357-H359 PolarHBondContact OG-N 3.14Å; S357-Y391 PolarHBondContact N-O 2.65Å; S357-Y391 VanDerWaalsContact N-O 3.16Å; S357-Y391 PolarHBondContact O-N 3.25Å
358N79.4Confident75.4Confident41 Ų4163.8 Ų63.822%0.21932%0.322CS..SBendtrans-99.3-13.4167.558.6-20.8000112.8L360 E385 D389 Y390N358-L360 PolarHBondContact O-N 2.92Å; N358-E385 PolarHBondContact ND2-OE2 3.08Å; N358-E385 VanDerWaalsContact ND2-OE2 3.08Å; N358-D389 WeakPolarHBondContact CA-O 3.31Å; N358-D389 HydrophobicContact CB-CB 4.38Å; N358-Y390 HydrophobicContact CB-CD1 4.04Å; N358-Y390 HydrophobicContact CB-CD2 3.89Å; N358-Y390 HydrophobicContact CB-CE1 3.88Å; N358-Y390 HydrophobicContact CB-CE2 3.71Å; N358-Y390 HydrophobicContact CB-CG 4.05Å; N358-Y390 VanDerWaalsContact CG-CZ 3.44Å; N358-Y390 PolarHBondContact ND2-OH 3.29Å
359H69.4Low76Confident112 Ų11263.2 Ų63.252%0.51931%0.314SS..SBendtrans-9586.2-177.9-6584.7000110.6S357 N362S357-H359 PolarHBondContact OG-N 3.14Å; H359-N362 WeakPolarHBondContact O-CB 3.42Å; H359-N362 PolarHBondContact O-N 3.09Å
360L62Low76.6Confident44 Ų4465.8 Ų65.823%0.2332%0.324CS..THydrogen-bonded Turntrans-84.7138.8166.1-88.769.1000109.5N358 Y391 V417 P419N358-L360 PolarHBondContact O-N 2.92Å; L360-Y391 HydrophobicContact CD1-CD2 3.53Å; L360-Y391 HydrophobicContact CD1-CE2 4.03Å; L360-Y391 HydrophobicContact CD1-CG 4.43Å; L360-Y391 HydrophobicContact CD2-CD2 4.13Å; L360-Y391 HydrophobicContact CD2-CE2 3.89Å; L360-V417 HydrophobicContact CB-CG1 3.99Å; L360-V417 HydrophobicContact CD2-CG1 4.15Å; L360-P419 HydrophobicContact CD2-CB 4.08Å; L360-P419 HydrophobicContact CD2-CG 4.42Å
361P56.9Low77.1Confident94 Ų9464 Ų6461%0.6132%0.321SS*.THydrogen-bonded Turncis-110.651.816.340.3-31000113.2A363 Y422P361-A363 PolarHBondContact O-N 2.95Å; P361-Y422 HydrophobicContact CB-CE2 4.41Å
362N61.3Low77.4Confident77 Ų7763.6 Ų63.641%0.41232%0.317SS..  trans-63.3136.3176.3-72.7-16.9000111.3H359 N366 W367H359-N362 WeakPolarHBondContact O-CB 3.42Å; H359-N362 PolarHBondContact O-N 3.09Å; N362-N366 HydrophobicContact CB-CB 4.34Å; N362-W367 PolarHBondContact O-NE1 2.77Å; N362-W367 VanDerWaalsContact O-NE1 3.14Å
363A60Low77.4Confident50 Ų5066.9 Ų66.941%0.41334%0.338SS..  trans-53.7146.9172.200000110.7P361 E365 N366P361-A363 PolarHBondContact O-N 2.95Å; A363-E365 PolarHBondContact O-N 3.28Å; A363-N366 PolarHBondContact O-N 3.06Å
364F61Low77.4Confident118 Ų11868 Ų6852%0.51835%0.347SS..G310 helixtrans-54.4-27.5-175.774.3-89.2000113.5N366 W367 L405F364-N366 PolarHBondContact O-N 3.13Å; F364-W367 WeakPolarHBondContact O-CB 3.21Å; F364-W367 PolarHBondContact O-N 2.8Å; F364-L405 HydrophobicContact CB-CD1 4.22Å; F364-L405 HydrophobicContact CD2-CD1 4.27Å; F364-L405 HydrophobicContact CG-CD1 4.32Å
365E64.5Low77.2Confident149 Ų14976.6 Ų76.670%0.69639%0.387SS*.G310 helixtrans-62.2-27.5178.2-62.3-178.1171.100113A363A363-E365 PolarHBondContact O-N 3.28Å
366N69.9Low77.4Confident114 Ų11479.3 Ų79.361%0.6140%0.401SS*.G310 helixtrans-93.63.2-178.1-66.3-18.8000113N362 A363 F364N362-N366 HydrophobicContact CB-CB 4.34Å; A363-N366 PolarHBondContact O-N 3.06Å; F364-N366 PolarHBondContact O-N 3.13Å
367W79.3Confident77.5Confident38 Ų3882.3 Ų82.314%0.14441%0.412CS..SBendtrans-73.7148.9178-71.829.7000110.3N362 F364 K369 C393N362-W367 PolarHBondContact O-NE1 2.77Å; N362-W367 VanDerWaalsContact O-NE1 3.14Å; F364-W367 WeakPolarHBondContact O-CB 3.21Å; F364-W367 PolarHBondContact O-N 2.8Å; W367-K369 PolarHBondContact O-N 2.87Å; W367-C393 HydrophobicContact CZ3-CB 4.2Å
368Q84.3Confident77.7Confident100 Ų10084 Ų8447%0.46743%0.425SS..EExtended strand (participates in β ladder)trans-66.5137.3173.3-63-174.3-5.100108.8Y355 Y356Y355-Q368 CarbonylContact C-O 3.53Å; Y355-Q368 VanDerWaalsContact CA-O 3.28Å; Y355-Q368 WeakPolarHBondContact CA-O 3.47Å; Y356-Q368 HydrophobicContact CD1-CB 4.34Å; Y356-Q368 HydrophobicContact CD2-CB 4.18Å; Y356-Q368 HydrophobicContact CE1-CB 3.95Å; Y356-Q368 HydrophobicContact CE2-CB 3.8Å; Y356-Q368 HydrophobicContact CE2-CG 4.45Å; Y356-Q368 HydrophobicContact CG-CB 4.42Å; Y356-Q368 PolarHBondContact N-O 2.79Å; Y356-Q368 WeakPolarHBondContact O-CB 3.25Å; Y356-Q368 PolarHBondContact O-N 2.8Å; Y356-Q368 PolarHBondContact OH-OE1 3.22Å
369K86.5Confident78.3Confident147 Ų14782.6 Ų82.664%0.63942%0.418SS*.EExtended strand (participates in β ladder)trans-120.5132.4-176.371.3-178.7-179.1-176.20111.3I354 Y355 W367I354-K369 CarbonylContact O-C 3.55Å; I354-K369 VanDerWaalsContact O-CA 3.32Å; I354-K369 WeakPolarHBondContact O-CA 3.25Å; Y355-K369 HydrophobicContact CD1-CB 4.08Å; Y355-K369 HydrophobicContact CE1-CB 4.03Å; W367-K369 PolarHBondContact O-N 2.87Å
370K90.4Very high79.3Confident66 Ų6680.5 Ų80.529%0.28741%0.41SS..EExtended strand (participates in β ladder)trans-119.3121.5169.8-173.2177.4-172.9-170.50109.5I354 Y356 V372 S379 L380 V381I354-K370 HydrophobicContact CB-CB 4.4Å; I354-K370 PolarHBondContact N-O 2.7Å; I354-K370 PolarHBondContact O-N 3.14Å; Y356-K370 HydrophobicContact CE1-CB 4.32Å; K370-V372 HydrophobicContact CG-CG2 4.5Å; K370-S379 WeakPolarHBondContact CE-OG 2.93Å; K370-S379 PolarHBondContact NZ-OG 3.02Å; K370-L380 PolarHBondContact NZ-O 2.84Å; K370-V381 HydrophobicContact CD-CG2 4.35Å
371I90.8Very high80.5Confident106 Ų10678.4 Ų78.454%0.54440%0.399SS..EExtended strand (participates in β ladder)trans-95131.4177.6-58.4175.8000108.4A351 Y352A351-I371 HydrophobicContact CB-CG2 3.71Å; Y352-I371 CarbonylContact O-C 3.56Å; Y352-I371 WeakPolarHBondContact O-CA 3.46Å
372V91.3Very high82Confident2 Ų276.9 Ų76.91%0.01239%0.388CS..EExtended strand (participates in β ladder)trans-121134.5-177.3179.20000108.5W339 A351 Y352 I354 K370 E376W339-V372 HydrophobicContact CH2-CB 4.35Å; W339-V372 HydrophobicContact CH2-CG1 4.07Å; W339-V372 HydrophobicContact CH2-CG2 4.16Å; W339-V372 HydrophobicContact CZ2-CB 4.27Å; W339-V372 HydrophobicContact CZ2-CG1 3.93Å; A351-V372 CarbonylContact C-O 3.57Å; A351-V372 VanDerWaalsContact CA-O 3.25Å; A351-V372 WeakPolarHBondContact CA-O 3.42Å; A351-V372 VanDerWaalsContact CB-O 3.25Å; A351-V372 WeakPolarHBondContact CB-O 3.44Å; Y352-V372 PolarHBondContact N-O 3.34Å; Y352-V372 PolarHBondContact O-N 3.29Å; I354-V372 HydrophobicContact CD1-CG2 3.86Å; I354-V372 HydrophobicContact CG1-CG2 4.46Å; K370-V372 HydrophobicContact CG-CG2 4.5Å; V372-E376 HydrophobicContact CG1-CB 3.61Å
373P89.9Confident83.1Confident68 Ų6879.8 Ų79.844%0.44240%0.404SS..EExtended strand (participates in β ladder)trans-56.2153.2178-24.434000113.2E375 E376P373-E375 PolarHBondContact O-N 3.27Å; P373-E375 VanDerWaalsContact O-N 3.14Å; P373-E376 PolarHBondContact O-N 2.84Å
374A85.7Confident84.3Confident24 Ų2477.6 Ų77.620%0.19839%0.385CS..THydrogen-bonded Turntrans-64.6-13.7-179.700000115.7V349 K350 R377V349-A374 WeakPolarHBondContact O-CB 2.88Å; K350-A374 VanDerWaalsContact O-CB 3.28Å; K350-A374 WeakPolarHBondContact O-CB 3.02Å; K350-A374 PolarHBondContact O-N 2.8Å; A374-R377 PolarHBondContact O-NH1 3.44Å; A374-R377 PolarHBondContact O-NH2 2.86Å
375E84.9Confident85.2Confident182 Ų18279 Ų7985%0.8539%0.393SS*.THydrogen-bonded Turntrans-83.4-30.5178.5-64.4175.7-170.300111.3P373P373-E375 PolarHBondContact O-N 3.27Å; P373-E375 VanDerWaalsContact O-N 3.14Å
376E87.8Confident85.9Confident95 Ų9574.8 Ų74.844%0.44438%0.376SS..  trans-80.5138-178.9-67177-154.100110.9V372 P373V372-E376 HydrophobicContact CG1-CB 3.61Å; P373-E376 PolarHBondContact O-N 2.84Å
377R88.7Confident86.4Confident93 Ų9369.8 Ų69.835%0.35135%0.349SS..SBendtrans-116.69.5177.6-66.5-71.9176.7-77.8-0.8112.5W339 Y352 A374W339-R377 PolarHBondContact N-O 2.93Å; Y352-R377 VanDerWaalsContact CE2-NH1 3.28Å; A374-R377 PolarHBondContact O-NH1 3.44Å; A374-R377 PolarHBondContact O-NH2 2.86Å
378S88.6Confident86.4Confident45 Ų4573.3 Ų73.332%0.31537%0.367SS..EExtended strand (participates in β ladder)trans-153.5145.5178.454.30000110.1F336 L337F336-S378 VanDerWaalsContact CZ-CB 3.45Å; L337-S378 CarbonylContact O-C 3.59Å; L337-S378 WeakPolarHBondContact O-CA 3.42Å; L337-S378 WeakPolarHBondContact O-CB 3.42Å
379S90.7Very high86.2Confident11 Ų1172.3 Ų72.38%0.07737%0.365CS..EExtended strand (participates in β ladder)trans-147.4147.8173.5-164.30000111L337 K370L337-S379 PolarHBondContact N-O 3.23Å; L337-S379 PolarHBondContact O-N 2.93Å; K370-S379 WeakPolarHBondContact CE-OG 2.93Å; K370-S379 PolarHBondContact NZ-OG 3.02Å
380L90.3Very high86Confident67 Ų6765.7 Ų65.735%0.35134%0.336SS..EExtended strand (participates in β ladder)trans-93.8121175.3-173.470.8000110I330 F336 K370 T382I330-L380 HydrophobicContact CD1-CD1 3.81Å; I330-L380 HydrophobicContact CG1-CD1 4.46Å; F336-L380 HydrophobicContact CB-CD1 4.31Å; F336-L380 HydrophobicContact CD2-CD1 4.45Å; K370-L380 PolarHBondContact NZ-O 2.84Å; L380-T382 HydrophobicContact CD2-CG2 3.92Å; L380-T382 HydrophobicContact CG-CG2 4.08Å
381V88.5Confident85.7Confident1 Ų163.1 Ų63.11%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-94.3122.8170.3-179.60000107.9S334 V335 L337 Y356 K370 L384 F392S334-V381 VanDerWaalsContact CA-O 3.31Å; S334-V381 WeakPolarHBondContact CA-O 3.26Å; V335-V381 PolarHBondContact N-O 3.02Å; V335-V381 PolarHBondContact O-N 3.34Å; L337-V381 HydrophobicContact CD1-CB 4.38Å; L337-V381 HydrophobicContact CD1-CG2 3.7Å; Y356-V381 HydrophobicContact CD1-CG1 4.27Å; Y356-V381 HydrophobicContact CD2-CG1 4.18Å; Y356-V381 HydrophobicContact CE1-CG1 3.95Å; Y356-V381 HydrophobicContact CE2-CG1 3.82Å; Y356-V381 HydrophobicContact CG-CG1 4.4Å; K370-V381 HydrophobicContact CD-CG2 4.35Å; V381-L384 HydrophobicContact CG1-CD1 4.22Å; V381-L384 HydrophobicContact CG1-CD2 4Å; V381-L384 HydrophobicContact CG1-CG 4.22Å; V381-F392 HydrophobicContact CG2-CE1 4.48Å
382T88.5Confident85.4Confident62 Ų6258.1 Ų58.138%0.3830%0.299SS..  trans-108.4173.6-179.157.50000110.7L380 L384L380-T382 HydrophobicContact CD2-CG2 3.92Å; L380-T382 HydrophobicContact CG-CG2 4.08Å; T382-L384 VanDerWaalsContact C-N 3.34Å; T382-L384 PolarHBondContact O-N 2.76Å
383D84.6Confident84.9Confident138 Ų13858.5 Ų58.574%0.73830%0.301SS*.  trans65.631.1173.4-50.7-58.5000114.6K333K333-D383 PolarHBondContact O-N 3.06Å
384L83.7Confident84.6Confident3 Ų355.3 Ų55.32%0.01628%0.281CS..  trans-82.6135.3174.7-58.6168.7000110.4K333 V335 Y356 V381 T382 P387 Y390 F392K333-L384 WeakPolarHBondContact CA-O 3.37Å; K333-L384 WeakPolarHBondContact CB-O 3.35Å; K333-L384 WeakPolarHBondContact CG-O 3.32Å; K333-L384 WeakPolarHBondContact O-CB 3.27Å; K333-L384 PolarHBondContact O-N 2.95Å; V335-L384 HydrophobicContact CB-CD1 3.88Å; V335-L384 HydrophobicContact CG2-CD1 3.44Å; V335-L384 VanDerWaalsContact CG2-CD1 3.44Å; Y356-L384 HydrophobicContact CD2-CD2 3.83Å; Y356-L384 HydrophobicContact CE2-CD2 3.87Å; V381-L384 HydrophobicContact CG1-CD1 4.22Å; V381-L384 HydrophobicContact CG1-CD2 4Å; V381-L384 HydrophobicContact CG1-CG 4.22Å; T382-L384 VanDerWaalsContact C-N 3.34Å; T382-L384 PolarHBondContact O-N 2.76Å; L384-P387 HydrophobicContact CB-CG 4.44Å; L384-Y390 HydrophobicContact CB-CE2 4.2Å; L384-Y390 HydrophobicContact CD2-CD1 3.81Å; L384-Y390 HydrophobicContact CD2-CD2 4.08Å; L384-Y390 HydrophobicContact CD2-CE1 3.68Å; L384-Y390 HydrophobicContact CD2-CE2 3.99Å; L384-Y390 HydrophobicContact CD2-CG 4.01Å; L384-F392 HydrophobicContact CD1-CZ 4.17Å
385E79.7Confident84.4Confident149 Ų14954.2 Ų54.270%0.69627%0.272SS*.SBendtrans-68.7-49.6177.9-66.1174.5157.300111.9N358N358-E385 PolarHBondContact ND2-OE2 3.08Å; N358-E385 VanDerWaalsContact ND2-OE2 3.08Å
386N80.2Confident84.2Confident60 Ų6045.6 Ų45.632%0.32123%0.231SC..  trans-143.9108.4169.3179.414.5000109.2E388 D389 Y390N386-E388 PolarHBondContact O-N 2.95Å; N386-E388 PolarHBondContact OD1-N 2.61Å; N386-D389 WeakPolarHBondContact CB-OD2 3.41Å; N386-D389 VanDerWaalsContact ND2-CG 3.34Å; N386-D389 PolarHBondContact ND2-OD2 3.22Å; N386-D389 PolarHBondContact O-N 3.01Å; N386-D389 VanDerWaalsContact O-N 3.15Å; N386-Y390 WeakPolarHBondContact O-CD2 3.47Å
387P80Confident83.8Confident8 Ų842 Ų425%0.05222%0.216CC..G310 helixtrans-50.4-31.6-178.8-32.437.8000115.8S332 V335 L384 D389 I411S332-P387 WeakPolarHBondContact O-CD 3.5Å; V335-P387 HydrophobicContact CG2-CB 3.63Å; V335-P387 HydrophobicContact CG2-CG 4.21Å; L384-P387 HydrophobicContact CB-CG 4.44Å; P387-D389 VanDerWaalsContact C-N 3.33Å; P387-D389 PolarHBondContact O-N 3.48Å; P387-I411 HydrophobicContact CB-CD1 3.93Å
388E79Confident83Confident113 Ų11338 Ų3853%0.52820%0.201SC..G310 helixtrans-74.7-22.2-175.1-63.9-172.5170.800113.8N386N386-E388 PolarHBondContact O-N 2.95Å; N386-E388 PolarHBondContact OD1-N 2.61Å
389D80Confident82.1Confident79 Ų7944 Ų4442%0.42222%0.224SC..G310 helixtrans-87.5-5.2-178.8-66.8-35000113.1N358 N386 P387N358-D389 WeakPolarHBondContact CA-O 3.31Å; N358-D389 HydrophobicContact CB-CB 4.38Å; N386-D389 WeakPolarHBondContact CB-OD2 3.41Å; N386-D389 VanDerWaalsContact ND2-CG 3.34Å; N386-D389 PolarHBondContact ND2-OD2 3.22Å; N386-D389 PolarHBondContact O-N 3.01Å; N386-D389 VanDerWaalsContact O-N 3.15Å; P387-D389 VanDerWaalsContact C-N 3.33Å; P387-D389 PolarHBondContact O-N 3.48Å
390Y83.1Confident80.5Confident7 Ų749.3 Ų49.33%0.02726%0.256CS..  trans-91.8137.4-177.3-77.1-101.8000112.3Y356 N358 L384 N386Y356-Y390 AromaticContact CD2-CD1 3.84Å; Y356-Y390 HydrophobicContact CD2-CD1 3.84Å; Y356-Y390 AromaticContact CD2-CE1 3.96Å; Y356-Y390 HydrophobicContact CD2-CE1 3.96Å; N358-Y390 HydrophobicContact CB-CD1 4.04Å; N358-Y390 HydrophobicContact CB-CD2 3.89Å; N358-Y390 HydrophobicContact CB-CE1 3.88Å; N358-Y390 HydrophobicContact CB-CE2 3.71Å; N358-Y390 HydrophobicContact CB-CG 4.05Å; N358-Y390 VanDerWaalsContact CG-CZ 3.44Å; N358-Y390 PolarHBondContact ND2-OH 3.29Å; L384-Y390 HydrophobicContact CB-CE2 4.2Å; L384-Y390 HydrophobicContact CD2-CD1 3.81Å; L384-Y390 HydrophobicContact CD2-CD2 4.08Å; L384-Y390 HydrophobicContact CD2-CE1 3.68Å; L384-Y390 HydrophobicContact CD2-CE2 3.99Å; L384-Y390 HydrophobicContact CD2-CG 4.01Å; N386-Y390 WeakPolarHBondContact O-CD2 3.47Å
391Y83.4Confident79.1Confident13 Ų1348.4 Ų48.45%0.05125%0.249CC..EExtended strand (participates in β ladder)trans-96.9140.7163.5-75.1-82.5000110.4Y356 S357 L360 P408 C410 P415 V417 P419Y356-Y391 WeakPolarHBondContact CA-O 3.25Å; S357-Y391 PolarHBondContact N-O 2.65Å; S357-Y391 VanDerWaalsContact N-O 3.16Å; S357-Y391 PolarHBondContact O-N 3.25Å; L360-Y391 HydrophobicContact CD1-CD2 3.53Å; L360-Y391 HydrophobicContact CD1-CE2 4.03Å; L360-Y391 HydrophobicContact CD1-CG 4.43Å; L360-Y391 HydrophobicContact CD2-CD2 4.13Å; L360-Y391 HydrophobicContact CD2-CE2 3.89Å; Y391-P408 HydrophobicContact CD1-CB 4.01Å; Y391-C410 HydrophobicContact CD1-CB 4.03Å; Y391-C410 HydrophobicContact CE1-CB 3.88Å; Y391-P415 VanDerWaalsContact OH-CB 3.22Å; Y391-P415 WeakPolarHBondContact OH-CB 3.43Å; Y391-P415 WeakPolarHBondContact OH-CG 3.39Å; Y391-V417 WeakPolarHBondContact CE2-O 3.45Å; Y391-V417 PolarHBondContact OH-O 3.21Å; Y391-P419 HydrophobicContact CD1-CG 4.26Å; Y391-P419 HydrophobicContact CE1-CG 3.66Å; Y391-P419 HydrophobicContact CE2-CG 4.47Å; Y391-P419 WeakPolarHBondContact OH-CD 3.18Å
392F85.6Confident78.1Confident1 Ų153.3 Ų53.30%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-121133.5178.6-61.3-95.1000110.8I327 V335 L337 I354 Y355 Y356 V381 L384 P408 I409I327-F392 HydrophobicContact CD1-CB 3.59Å; I327-F392 HydrophobicContact CD1-CD2 3.63Å; I327-F392 HydrophobicContact CD1-CG 3.74Å; V335-F392 HydrophobicContact CB-CZ 4.27Å; V335-F392 HydrophobicContact CG1-CE2 4.47Å; V335-F392 HydrophobicContact CG1-CZ 4.14Å; V335-F392 HydrophobicContact CG2-CZ 4.36Å; L337-F392 HydrophobicContact CD1-CD1 3.99Å; L337-F392 HydrophobicContact CD1-CE1 4Å; L337-F392 HydrophobicContact CD2-CB 4.09Å; L337-F392 HydrophobicContact CD2-CD1 3.89Å; L337-F392 HydrophobicContact CD2-CG 4.15Å; I354-F392 HydrophobicContact CG2-CD1 4.4Å; Y355-F392 CarbonylContact O-C 3.49Å; Y355-F392 WeakPolarHBondContact O-CA 3.31Å; Y356-F392 HydrophobicContact CG-CD1 4.35Å; Y356-F392 HydrophobicContact CG-CE1 4.1Å; V381-F392 HydrophobicContact CG2-CE1 4.48Å; L384-F392 HydrophobicContact CD1-CZ 4.17Å; F392-P408 WeakPolarHBondContact O-CA 3.5Å; F392-I409 PolarHBondContact N-O 3.3Å; F392-I409 PolarHBondContact O-N 2.87Å
393C80.1Confident77.2Confident9 Ų950.6 Ų50.66%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-130.5149.9172.5-66.20000109.5Y355 W367 L405 P408Y355-C393 PolarHBondContact N-O 2.95Å; Y355-C393 PolarHBondContact O-N 3.33Å; W367-C393 HydrophobicContact CZ3-CB 4.2Å; C393-L405 HydrophobicContact CB-CB 4.49Å; C393-L405 HydrophobicContact CB-CD2 4.06Å; C393-P408 WeakPolarHBondContact SG-CA 3.48Å
394M83.3Confident76.3Confident1 Ų146.8 Ų46.81%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-128.2146.8179.5-62.2-168.266.800112.4P322 I325 L337 W339 A353 I354 L405 S406P322-M394 HydrophobicContact CG-CB 4.11Å; I325-M394 HydrophobicContact CD1-CB 3.89Å; I325-M394 HydrophobicContact CD1-CG 4.03Å; I325-M394 HydrophobicContact CD1-SD 4.03Å; I325-M394 HydrophobicContact CG1-SD 3.94Å; I325-M394 HydrophobicContact CG2-CG 4.45Å; I325-M394 HydrophobicContact CG2-SD 3.78Å; L337-M394 HydrophobicContact CD2-SD 4.46Å; W339-M394 HydrophobicContact CB-CE 4.35Å; W339-M394 HydrophobicContact CB-SD 4.13Å; W339-M394 HydrophobicContact CD2-CE 3.2Å; W339-M394 HydrophobicContact CD2-SD 3.88Å; W339-M394 VanDerWaalsContact CE2-CE 3.49Å; W339-M394 HydrophobicContact CE3-CE 3.35Å; W339-M394 HydrophobicContact CE3-SD 3.7Å; W339-M394 HydrophobicContact CG-CE 3.67Å; W339-M394 HydrophobicContact CG-SD 4.08Å; W339-M394 HydrophobicContact CH2-CE 4.02Å; W339-M394 HydrophobicContact CZ2-CE 3.9Å; W339-M394 HydrophobicContact CZ3-CE 3.75Å; W339-M394 HydrophobicContact CZ3-SD 4.39Å; A353-M394 WeakPolarHBondContact O-CA 3.47Å; I354-M394 HydrophobicContact CD1-CE 4.44Å; I354-M394 HydrophobicContact CG1-CE 3.71Å; I354-M394 HydrophobicContact CG1-CG 4.42Å; I354-M394 HydrophobicContact CG1-SD 4.45Å; M394-L405 CarbonylContact O-C 3.58Å; M394-L405 WeakPolarHBondContact O-CA 3.31Å; M394-S406 PolarHBondContact N-OG 3Å; M394-S406 PolarHBondContact O-N 2.91Å
395S81Confident75.6Confident2 Ų249.1 Ų49.11%0.01425%0.25CC..EExtended strand (participates in β ladder)trans-134.8144.7172.1174.50000110.3A353 S403A353-S395 PolarHBondContact N-O 2.84Å; A353-S395 PolarHBondContact O-N 2.92Å; S395-S403 PolarHBondContact OG-N 3.26Å; S395-S403 PolarHBondContact OG-O 3.24Å; S395-S403 PolarHBondContact OG-OG 2.78Å
396S81.6Confident75.2Confident0 Ų042.3 Ų42.30%022%0.219CC..EExtended strand (participates in β ladder)trans-85126.7169.9-68.80000109.7P342 H402 S403P342-S396 VanDerWaalsContact CG-OG 3.25Å; P342-S396 WeakPolarHBondContact CG-OG 3.32Å; S396-H402 CarbonylContact O-C 3.54Å; S396-H402 WeakPolarHBondContact O-CA 3.16Å; S396-S403 PolarHBondContact N-OG 3.15Å; S396-S403 PolarHBondContact O-N 3.17Å
397V78.7Confident74.7Confident21 Ų2147.7 Ų47.713%0.12724%0.239CC..EExtended strand (participates in β ladder)trans-95.9119.3178.8-170.90000108.7K350 A351 A353K350-V397 PolarHBondContact N-O 2.85Å; A351-V397 HydrophobicContact CB-CB 4.09Å; A351-V397 HydrophobicContact CB-CG2 4.34Å; A351-V397 PolarHBondContact N-O 2.82Å; A351-V397 WeakPolarHBondContact O-CA 3.28Å; A351-V397 VanDerWaalsContact O-CB 3.31Å; A351-V397 WeakPolarHBondContact O-CB 3.48Å; A351-V397 PolarHBondContact O-N 2.77Å; A353-V397 HydrophobicContact CB-CG2 3.81Å
398Y73.6Confident74.4Confident8 Ų849.7 Ų49.73%0.03125%0.252CS..  trans-104174.7173.3-57.7-82.4000109.8E319 N347 V349 T400 Y401E319-Y398 HydrophobicContact CB-CE2 4.37Å; N347-Y398 HydrophobicContact CB-CD1 3.7Å; N347-Y398 HydrophobicContact CB-CE1 4.02Å; N347-Y398 WeakPolarHBondContact O-CE1 3.26Å; V349-Y398 HydrophobicContact CB-CE1 4.47Å; V349-Y398 HydrophobicContact CG2-CD1 4.49Å; V349-Y398 HydrophobicContact CG2-CE1 3.72Å; Y398-T400 PolarHBondContact O-N 2.9Å; Y398-Y401 WeakPolarHBondContact CA-O 3.44Å; Y398-Y401 WeakPolarHBondContact CB-O 3.34Å; Y398-Y401 AromaticContact CD2-CD2 3.97Å; Y398-Y401 HydrophobicContact CD2-CD2 3.97Å; Y398-Y401 HydrophobicContact CD2-CE1 4.19Å; Y398-Y401 AromaticContact CD2-CE2 3.32Å; Y398-Y401 HydrophobicContact CD2-CE2 3.32Å; Y398-Y401 AromaticContact CD2-CZ 3.41Å; Y398-Y401 VanDerWaalsContact CD2-CZ 3.41Å; Y398-Y401 WeakPolarHBondContact CD2-OH 3.47Å; Y398-Y401 AromaticContact CE2-CE2 3.73Å; Y398-Y401 HydrophobicContact CE2-CE2 3.73Å; Y398-Y401 AromaticContact CE2-CZ 3.93Å; Y398-Y401 HydrophobicContact CG-CE1 4.19Å; Y398-Y401 HydrophobicContact CG-CE2 4.13Å; Y398-Y401 AromaticContact CG-CZ 3.75Å; Y398-Y401 PolarHBondContact N-O 2.97Å
399E67.9Low74.3Confident171 Ų17146.8 Ų46.880%0.79924%0.24SC*.SBendtrans-61.2-30.1-178.2-173.6160.7-154.200113.6
400T57.8Low74.2Confident123 Ų12344.7 Ų44.776%0.75523%0.231SC*.SBendtrans-117.7-16.3-172.947.20000114.6Y398Y398-T400 PolarHBondContact O-N 2.9Å
401Y61.2Low74Confident48 Ų4846.2 Ų46.219%0.18824%0.239CC..  trans-159.7169.9-175.567.2-82.6000112.5S290 N347 Y398S290-Y401 PolarHBondContact OG-OH 2.83Å; N347-Y401 PolarHBondContact ND2-OH 2.83Å; Y398-Y401 WeakPolarHBondContact CA-O 3.44Å; Y398-Y401 WeakPolarHBondContact CB-O 3.34Å; Y398-Y401 AromaticContact CD2-CD2 3.97Å; Y398-Y401 HydrophobicContact CD2-CD2 3.97Å; Y398-Y401 HydrophobicContact CD2-CE1 4.19Å; Y398-Y401 AromaticContact CD2-CE2 3.32Å; Y398-Y401 HydrophobicContact CD2-CE2 3.32Å; Y398-Y401 AromaticContact CD2-CZ 3.41Å; Y398-Y401 VanDerWaalsContact CD2-CZ 3.41Å; Y398-Y401 WeakPolarHBondContact CD2-OH 3.47Å; Y398-Y401 AromaticContact CE2-CE2 3.73Å; Y398-Y401 HydrophobicContact CE2-CE2 3.73Å; Y398-Y401 AromaticContact CE2-CZ 3.93Å; Y398-Y401 HydrophobicContact CG-CE1 4.19Å; Y398-Y401 HydrophobicContact CG-CE2 4.13Å; Y398-Y401 AromaticContact CG-CZ 3.75Å; Y398-Y401 PolarHBondContact N-O 2.97Å
402H66.8Low73.5Confident103 Ų10347.2 Ų47.248%0.47725%0.248SC..BIsolated β-bridgetrans-104.8141.4171.3-72.2-114000110.2S396S396-H402 CarbonylContact O-C 3.54Å; S396-H402 WeakPolarHBondContact O-CA 3.16Å
403S69.2Low72.5Confident6 Ų656.2 Ų56.24%0.04229%0.29CS..PPolyproline II helixtrans-64.1162.3171.178.90000110.8S395 S396S395-S403 PolarHBondContact OG-N 3.26Å; S395-S403 PolarHBondContact OG-O 3.24Å; S395-S403 PolarHBondContact OG-OG 2.78Å; S396-S403 PolarHBondContact N-OG 3.15Å; S396-S403 PolarHBondContact O-N 3.17Å
404P66.6Low71.6Confident58 Ų5862.5 Ų62.538%0.37732%0.323SS..PPolyproline II helixtrans-50.2149.6163.7-23.334.3000111.1P318 E319 S321P318-P404 HydrophobicContact CB-CG 3.79Å; P318-P404 HydrophobicContact CG-CG 3.97Å; E319-P404 VanDerWaalsContact O-CD 3.26Å; E319-P404 WeakPolarHBondContact O-CD 2.87Å; S321-P404 VanDerWaalsContact CB-O 3.27Å; S321-P404 WeakPolarHBondContact CB-O 3.4Å
405L69.3Low70.5Confident51 Ų5164.3 Ų64.327%0.26734%0.335SS..PPolyproline II helixtrans-68.6143.5173.8-71.1164.3000109.8Y355 F364 C393 M394Y355-L405 HydrophobicContact CD2-CD2 3.47Å; Y355-L405 VanDerWaalsContact CD2-CD2 3.47Å; Y355-L405 HydrophobicContact CE2-CD2 3.68Å; Y355-L405 HydrophobicContact CG-CD2 4.22Å; F364-L405 HydrophobicContact CB-CD1 4.22Å; F364-L405 HydrophobicContact CD2-CD1 4.27Å; F364-L405 HydrophobicContact CG-CD1 4.32Å; C393-L405 HydrophobicContact CB-CB 4.49Å; C393-L405 HydrophobicContact CB-CD2 4.06Å; M394-L405 CarbonylContact O-C 3.58Å; M394-L405 WeakPolarHBondContact O-CA 3.31Å
406S71.3Confident69.3Low7 Ų769.8 Ų69.85%0.04937%0.373CS..PPolyproline II helixtrans-61.6163.4166.570.50000110.6I325 M394I325-S406 WeakPolarHBondContact CD1-OG 3.36Å; M394-S406 PolarHBondContact N-OG 3Å; M394-S406 PolarHBondContact O-N 2.91Å
407K69.9Low68.1Low173 Ų17373.7 Ų73.775%0.75240%0.397SS*.PPolyproline II helixtrans-54.1144.3165.7-65.2-175.4179.7-1770109.6I409K407-I409 PolarHBondContact O-N 2.93Å
408P73.4Confident67.1Low50 Ų5081.2 Ų81.233%0.32543%0.428SS..PPolyproline II helixtrans-65.2130.9173.626.4-32.8000110Y391 F392 C393 P419Y391-P408 HydrophobicContact CD1-CB 4.01Å; F392-P408 WeakPolarHBondContact O-CA 3.5Å; C393-P408 WeakPolarHBondContact SG-CA 3.48Å; P408-P419 HydrophobicContact CG-CG 4.45Å
409I77.7Confident65.9Low52 Ų5283.7 Ų83.727%0.26745%0.445SS..BIsolated β-bridgetrans-118.7137.7178.9-57.9167000108I325 I327 F392 K407I325-I409 HydrophobicContact CB-CD1 3.6Å; I325-I409 HydrophobicContact CD1-CD1 4.34Å; I325-I409 HydrophobicContact CG2-CD1 3.66Å; I327-I409 HydrophobicContact CD1-CB 3.81Å; I327-I409 HydrophobicContact CD1-CG2 3.55Å; I327-I409 HydrophobicContact CG1-CG2 4.01Å; F392-I409 PolarHBondContact N-O 3.3Å; F392-I409 PolarHBondContact O-N 2.87Å; K407-I409 PolarHBondContact O-N 2.93Å
410C78Confident64.8Low35 Ų3577.7 Ų77.724%0.23643%0.429CS..  trans-122.3162.7173.554.50000109.9Y391 S412Y391-C410 HydrophobicContact CD1-CB 4.03Å; Y391-C410 HydrophobicContact CE1-CB 3.88Å; C410-S412 PolarHBondContact SG-O 3.43Å
411I78.8Confident64Low39 Ų3982.3 Ų82.320%0.244%0.438CS..SBendtrans-78.8-39.8177.2-60.4176.1000110.8I327 P329 V335 P387I327-I411 HydrophobicContact CG2-CD1 4.03Å; I327-I411 HydrophobicContact CG2-CG1 3.65Å; P329-I411 HydrophobicContact CB-CD1 4.38Å; P329-I411 HydrophobicContact CG-CG2 4.23Å; V335-I411 HydrophobicContact CB-CD1 4.45Å; V335-I411 HydrophobicContact CG1-CD1 3.97Å; V335-I411 HydrophobicContact CG2-CD1 3.53Å; P387-I411 HydrophobicContact CB-CD1 3.93Å
412S72.3Confident62.9Low34 Ų3487.6 Ų87.624%0.23846%0.459CS..SBendtrans-73.4132.9179178.90000111.3C410 N414C410-S412 PolarHBondContact SG-O 3.43Å; S412-N414 PolarHBondContact O-N 2.87Å; S412-N414 VanDerWaalsContact OG-C 3.3Å; S412-N414 PolarHBondContact OG-N 2.81Å; S412-N414 PolarHBondContact OG-O 3.46Å
413E63.8Low61.1Low190 Ų19088.2 Ų88.289%0.88847%0.465SS*.SBendtrans-66.5-23.8172.6-66.2-175.4168.900112
414N61.3Low59.1Low141 Ų14194.7 Ų94.775%0.75450%0.499SS*.SBendtrans-131.681177.9-76.2-41.8000110.5S412 S416S412-N414 PolarHBondContact O-N 2.87Å; S412-N414 VanDerWaalsContact OG-C 3.3Å; S412-N414 PolarHBondContact OG-N 2.81Å; S412-N414 PolarHBondContact OG-O 3.46Å; N414-S416 PolarHBondContact O-N 3.14Å
415P60.6Low57.2Low39 Ų3999.9 Ų99.925%0.25352%0.522SS..  trans-67.4135.2178.626.9-33.5000111.4Y391 V417Y391-P415 VanDerWaalsContact OH-CB 3.22Å; Y391-P415 WeakPolarHBondContact OH-CB 3.43Å; Y391-P415 WeakPolarHBondContact OH-CG 3.39Å; P415-V417 PolarHBondContact O-N 3.46Å
416S56.8Low55.1Low116 Ų116101.6 Ų101.681%0.81154%0.544SS*.SBendtrans-60.4-25.3178.1-58.50000113.2N414N414-S416 PolarHBondContact O-N 3.14Å
417V55.3Low53Low83 Ų83108 Ų10850%0.50358%0.577SS.*SBendtrans-122.8111.2-178.7-177.30000108.7L360 Y391 P415L360-V417 HydrophobicContact CB-CG1 3.99Å; L360-V417 HydrophobicContact CD2-CG1 4.15Å; Y391-V417 WeakPolarHBondContact CE2-O 3.45Å; Y391-V417 PolarHBondContact OH-O 3.21Å; P415-V417 PolarHBondContact O-N 3.46Å
418K56.9Low51Low179 Ų179106.1 Ų106.178%0.77858%0.58SS**PPolyproline II helixtrans-76.8138.8176-65.7-178-179.2179.40110G420K418-G420 PolarHBondContact O-N 3.16Å; K418-G420 VanDerWaalsContact O-N 3.14Å
419P48.7Very low49Very low60 Ų60106.5 Ų106.539%0.3958%0.584SS.*PPolyproline II helixtrans-60.1122167.7-9.325.2000107.8L360 Y391 P408L360-P419 HydrophobicContact CD2-CB 4.08Å; L360-P419 HydrophobicContact CD2-CG 4.42Å; Y391-P419 HydrophobicContact CD1-CG 4.26Å; Y391-P419 HydrophobicContact CE1-CG 3.66Å; Y391-P419 HydrophobicContact CE2-CG 4.47Å; Y391-P419 WeakPolarHBondContact OH-CD 3.18Å; P408-P419 HydrophobicContact CG-CG 4.45Å
420G45.3Very low46.5Very low44 Ų44109.9 Ų109.945%0.45461%0.607SS.*PPolyproline II helixtrans-57.4173.5169.100000111K418 Y422K418-G420 PolarHBondContact O-N 3.16Å; K418-G420 VanDerWaalsContact O-N 3.14Å; G420-Y422 VanDerWaalsContact C-N 3.26Å; G420-Y422 PolarHBondContact O-N 2.9Å
421K40Very low44.3Very low220 Ų220112.9 Ų112.996%0.95763%0.627SS**SBendtrans-57.684.2177.8-76.5-177.6175.1-179.50111.7
422Y39Very low41.8Very low160 Ų160117.3 Ų117.363%0.62765%0.65SS**  trans-139.178.6172.7-70.5-78.2000107.2P361 G420P361-Y422 HydrophobicContact CB-CE2 4.41Å; G420-Y422 VanDerWaalsContact C-N 3.26Å; G420-Y422 PolarHBondContact O-N 2.9Å
423L29.4Very low39.8Very low115 Ų115119.4 Ų119.460%0.60266%0.657SS**  trans161.399.4151.4-112.369.6000108.2
424D25.9Very low38Very low142 Ų142116 Ų11676%0.75965%0.649SS**  trans-144.573.4151.7-128-1.3000107.5
425I28Very low36.8Very low168 Ų168112.3 Ų112.386%0.86263%0.625SS**  trans-131.770.7166.5-50.5170.2000106.7
426A25.7Very low35.1Very low86 Ų86119.1 Ų119.171%0.71165%0.653SS**  trans-16882.3163.500000109.9
427L26.4Very low34Very low142 Ų142119.3 Ų119.374%0.74364%0.64SS**  trans-130.1103.9169.9-75.8169.2000112
428T27.7Very low32.9Very low134 Ų134119.7 Ų119.782%0.82264%0.644SS**  trans82.1138.6143.764.70000120.7
429S31.3Very low31.8Very low58 Ų58115.4 Ų115.441%0.40664%0.642SS.*  trans-14777.2-150.837.70000112.7E317E317-S429 VanDerWaalsContact OE1-C 3.3Å; E317-S429 WeakPolarHBondContact OE1-CA 3.42Å; E317-S429 WeakPolarHBondContact OE1-CB 3.31Å; E317-S429 WeakPolarHBondContact OE2-CB 3.5Å
430V26Very low31.2Very low123 Ų123117.9 Ų117.975%0.74566%0.658SS**  trans-150.5118.4159.7-175.90000108.8I432V430-I432 HydrophobicContact CG1-CD1 3.85Å; V430-I432 HydrophobicContact CG1-CG1 3.64Å
431C31.6Very low30.7Very low98 Ų98120.1 Ų120.166%0.66267%0.667SS**  trans-120.2100.2157.7-168.10000108.2
432I26.6Very low30.8Very low132 Ų132116 Ų11668%0.67767%0.665SS**  trans-91.6113.1166.2-62.1165.9000105.6V430 V434V430-I432 HydrophobicContact CG1-CD1 3.85Å; V430-I432 HydrophobicContact CG1-CG1 3.64Å; I432-V434 HydrophobicContact CG2-CG2 3.59Å; I432-V434 PolarHBondContact O-N 2.83Å; I432-V434 VanDerWaalsContact O-N 3.14Å
433I30.1Very low30.6Very low78 Ų78111.7 Ų111.740%0.466%0.659SS.*  trans-8290.6171.7-59.5165.9000107L312 V314L312-I433 HydrophobicContact CD1-CD1 3.81Å; L312-I433 HydrophobicContact CD1-CG1 4.44Å; L312-I433 HydrophobicContact CD1-CG2 4.19Å; V314-I433 HydrophobicContact CG2-CD1 4.29Å
434V24.9Very low31.2Very low118 Ų118112.5 Ų112.572%0.71567%0.671SS**  trans-87.4120.9162.1-172.90000106.7I432I432-V434 HydrophobicContact CG2-CG2 3.59Å; I432-V434 PolarHBondContact O-N 2.83Å; I432-V434 VanDerWaalsContact O-N 3.14Å
435Y35.8Very low31.6Very low63 Ų63109.2 Ų109.225%0.24766%0.658CS.*  trans-113.3135.3165.366.5-90.5000109.9Q280 N281Q280-Y435 PolarHBondContact O-OH 3.4Å; N281-Y435 VanDerWaalsContact CA-OH 3.31Å; N281-Y435 WeakPolarHBondContact CA-OH 3.43Å; N281-Y435 WeakPolarHBondContact O-CE1 3.43Å; N281-Y435 PolarHBondContact O-OH 3.3Å
436E26.8Very low32.1Very low182 Ų182109.4 Ų109.485%0.8566%0.661SS**PPolyproline II helixtrans-80.4132178.4-163168.5-172.300109.4P438E436-P438 WeakPolarHBondContact O-CD 3.44Å
437K31.9Very low32.7Very low120 Ų120110.2 Ų110.252%0.52265%0.65SS.*PPolyproline II helixtrans-59.8122.1173.9-178.5-178.1179.6-179.10107.4A439K437-A439 PolarHBondContact O-N 3.03Å
438P33.8Very low33.6Very low92 Ų92107.3 Ų107.360%0.59764%0.638SS**PPolyproline II helixtrans-58.8132.1174.920.7-29.2000109E436E436-P438 WeakPolarHBondContact O-CD 3.44Å
439A32.8Very low34.4Very low88 Ų88103.4 Ų103.473%0.72761%0.612SS**PPolyproline II helixtrans-48.5134.9-174.300000110.7K437 S441K437-A439 PolarHBondContact O-N 3.03Å; A439-S441 PolarHBondContact O-N 3.47Å
440P36Very low35.3Very low113 Ų113105.6 Ų105.673%0.73461%0.614SS**  trans-60.7109.2177.824.5-30.5000108.5S442P440-S442 PolarHBondContact O-N 3.01Å
441S34.8Very low36.6Very low91 Ų91100 Ų10064%0.63658%0.581SS**  trans-57.5129.816358.30000107.1A439 S443A439-S441 PolarHBondContact O-N 3.47Å; S441-S443 PolarHBondContact O-N 3.23Å
442S41.6Very low37.4Very low132 Ų132102 Ų10292%0.92357%0.574SS**SBendtrans-57.452.2-16750.10000117P440P440-S442 PolarHBondContact O-N 3.01Å
443S35.1Very low38.6Very low70 Ų7096.6 Ų96.649%0.4955%0.547SS..  trans-128122.4170.164.90000110.3S441 C445S441-S443 PolarHBondContact O-N 3.23Å; S443-C445 VanDerWaalsContact C-N 3.28Å; S443-C445 PolarHBondContact O-N 3.24Å
444P42.5Very low39.6Very low133 Ų13393.2 Ų93.286%0.86453%0.531SS*.  trans-77.685.8175.233.3-29.4000107.3
445C34.3Very low40.8Very low73 Ų7388.9 Ų88.949%0.49350%0.503SS..  trans-128.7120.7165.9-73.10000106.3S443 H447S443-C445 VanDerWaalsContact C-N 3.28Å; S443-C445 PolarHBondContact O-N 3.24Å; C445-H447 WeakPolarHBondContact CB-NE2 3.42Å; C445-H447 PolarHBondContact O-N 2.67Å
446D38Very low41.5Very low172 Ų17286.7 Ų86.792%0.9250%0.498SS*.  trans-6162.6174.8-82.2-37.5000111.8T448D446-T448 PolarHBondContact O-N 2.97Å
447H39.3Very low42.6Very low103 Ų10382.8 Ų82.848%0.47748%0.475SS..  trans-87.2100.6175.1-68.3-36.3000108L302 C445 L449L302-H447 HydrophobicContact CD1-CB 3.72Å; L302-H447 HydrophobicContact CG-CB 3.96Å; C445-H447 WeakPolarHBondContact CB-NE2 3.42Å; C445-H447 PolarHBondContact O-N 2.67Å; H447-L449 PolarHBondContact O-N 3.36Å; H447-L449 VanDerWaalsContact O-N 3.09Å
448T44.6Very low43.3Very low80 Ų8083 Ų8349%0.49148%0.476SS..  trans-56.3115.217255.90000109.8D446 K450D446-T448 PolarHBondContact O-N 2.97Å; T448-K450 PolarHBondContact O-N 3.22Å
449L44.8Very low43.5Very low53 Ų5384.9 Ų84.928%0.27748%0.48SS..EExtended strand (participates in β ladder)trans-64.5123.6169.6-83.8153.6000108.7V300 L302 H447V300-L449 HydrophobicContact CG1-CD2 3.64Å; L302-L449 HydrophobicContact CB-CD2 4.48Å; L302-L449 HydrophobicContact CD1-CD2 3.84Å; L302-L449 HydrophobicContact CD1-CG 3.79Å; H447-L449 PolarHBondContact O-N 3.36Å; H447-L449 VanDerWaalsContact O-N 3.09Å
450K49.9Very low43.5Very low103 Ų10391.9 Ų91.945%0.44850%0.498SS..EExtended strand (participates in β ladder)trans-116.1117.9172.2-68-177-177.61790108.3V277 S301 T448V277-K450 HydrophobicContact CG1-CB 4.49Å; S301-K450 PolarHBondContact N-O 3.17Å; S301-K450 PolarHBondContact O-N 2.98Å; S301-K450 PolarHBondContact OG-O 2.81Å; T448-K450 PolarHBondContact O-N 3.22Å
451T52.9Low43.9Very low7 Ų790.9 Ų90.94%0.04349%0.486CS..EExtended strand (participates in β ladder)trans-98.6120.2178.6-58.30000108.5V277 T278 L298V277-T451 WeakPolarHBondContact CA-O 3.49Å; T278-T451 PolarHBondContact N-O 3.15Å; T278-T451 PolarHBondContact O-N 3.49Å; L298-T451 HydrophobicContact CD1-CG2 3.29Å; L298-T451 HydrophobicContact CG-CG2 4.16Å
452R49.8Very low44.3Very low139 Ų13990.8 Ų90.853%0.52548%0.478SS..EExtended strand (participates in β ladder)trans-102.3117.4174.6-174-178.5-72.3-161.3-3.3108.6T275 L276 V277 T299T275-R452 HydrophobicContact CG2-CG 3.42Å; T275-R452 VanDerWaalsContact CG2-CG 3.42Å; L276-R452 CarbonylContact O-C 3.49Å; L276-R452 WeakPolarHBondContact O-CA 3.49Å; V277-R452 HydrophobicContact CG2-CG 4.33Å; T299-R452 PolarHBondContact N-O 3.06Å; T299-R452 PolarHBondContact O-N 3.08Å
453L50.4Low44.5Very low19 Ų1988.6 Ų88.610%0.09945%0.454CS..EExtended strand (participates in β ladder)trans-108.3120.2-179.6-138.9136.5000107.5T275 L276 C283 L285 I296 L298T275-L453 CarbonylContact C-O 3.46Å; T275-L453 VanDerWaalsContact CA-O 3.28Å; T275-L453 WeakPolarHBondContact CA-O 3.14Å; L276-L453 HydrophobicContact CB-CB 4.34Å; L276-L453 PolarHBondContact N-O 3.14Å; L276-L453 PolarHBondContact O-N 3.42Å; C283-L453 HydrophobicContact CB-CD1 4.44Å; L285-L453 HydrophobicContact CD1-CD2 4.11Å; L285-L453 HydrophobicContact CD2-CD2 4.2Å; I296-L453 HydrophobicContact CG2-CD2 3.48Å; I296-L453 VanDerWaalsContact CG2-CD2 3.48Å; I296-L453 HydrophobicContact CG2-CG 4.07Å; L298-L453 HydrophobicContact CD1-CB 4.48Å; L298-L453 HydrophobicContact CD1-CD1 3.56Å; L298-L453 HydrophobicContact CD1-CG 3.86Å
454G51.5Low45Very low7 Ų789.6 Ų89.67%0.07245%0.451CS..EExtended strand (participates in β ladder)trans-112124.3175.500000110.2M273 H274 I296 K297M273-G454 VanDerWaalsContact CE-C 3.42Å; M273-G454 VanDerWaalsContact CE-O 3.28Å; M273-G454 WeakPolarHBondContact CE-O 3.39Å; H274-G454 WeakPolarHBondContact O-CA 3.17Å; I296-G454 CarbonylContact C-O 3.56Å; I296-G454 WeakPolarHBondContact CA-O 3.2Å; K297-G454 PolarHBondContact N-O 2.57Å; K297-G454 PolarHBondContact O-N 2.83Å
455L50Low45.2Very low26 Ų2686.9 Ų86.914%0.13643%0.426CS..EExtended strand (participates in β ladder)trans-108.1124.8179.3179.782.8000110.1M273 H274 L285 L288 Y294 I296M273-L455 VanDerWaalsContact CA-O 3.3Å; M273-L455 WeakPolarHBondContact CA-O 3.38Å; H274-L455 HydrophobicContact CB-CB 4.45Å; H274-L455 PolarHBondContact N-O 3Å; H274-L455 VanDerWaalsContact N-O 3.12Å; H274-L455 PolarHBondContact O-N 2.77Å; L285-L455 HydrophobicContact CD1-CD1 4.27Å; L288-L455 HydrophobicContact CD2-CD1 4.04Å; L288-L455 HydrophobicContact CD2-CD2 3.58Å; L288-L455 HydrophobicContact CD2-CG 4.42Å; Y294-L455 HydrophobicContact CD1-CD1 3.88Å; Y294-L455 HydrophobicContact CD1-CD2 4.28Å; Y294-L455 HydrophobicContact CD1-CG 4.08Å; Y294-L455 HydrophobicContact CG-CD1 4.07Å; I296-L455 HydrophobicContact CD1-CD1 4.14Å; I296-L455 HydrophobicContact CG1-CD1 3.53Å
456S51.1Low45.9Very low18 Ų1887.9 Ų87.913%0.12642%0.421CS..EExtended strand (participates in β ladder)trans-123.1143.2170.1139.30000110.4M273 Y294 S295M273-S456 WeakPolarHBondContact SD-CB 3.22Å; Y294-S456 CarbonylContact C-O 3.55Å; Y294-S456 WeakPolarHBondContact CA-O 3.47Å; S295-S456 PolarHBondContact N-O 3.23Å; S295-S456 PolarHBondContact O-N 3.39Å
457R49.6Very low46.5Very low100 Ų10081.9 Ų81.938%0.37739%0.386SS..EExtended strand (participates in β ladder)trans-80.1137168-169.1178.2-172.1-179.77109.2D270 T292 Y294D270-R457 HydrophobicContact CB-CB 4.25Å; D270-R457 PolarHBondContact O-N 3.2Å; T292-R457 HydrophobicContact CG2-CG 3.58Å; T292-R457 PolarHBondContact OG1-NH2 3.49Å; Y294-R457 HydrophobicContact CD1-CB 4.38Å; Y294-R457 HydrophobicContact CE1-CB 4.23Å; Y294-R457 HydrophobicContact CE1-CG 4.3Å
458K46.2Very low47Very low125 Ų12580.2 Ų80.254%0.54338%0.379SS..EExtended strand (participates in β ladder)trans-111.7120174.7-150.9179.6-176.4-174.20108.4A293 L313A293-K458 HydrophobicContact CB-CB 4.47Å; A293-K458 PolarHBondContact O-N 3.19Å; L313-K458 HydrophobicContact CD1-CD 4.25Å
459L39.5Very low47.2Very low130 Ų13080.3 Ų80.368%0.68137%0.369SS*.  trans-70130.7167.8-83.5152.9000108.4
460Q31.4Very low47.5Very low236 Ų23682.7 Ų82.7100%1.10338%0.378SS*.  trans-83.30167.8-112.2-176.5-22.400110

Retrieved 460 of 460 residues in 448.7 ms (Link to these results)