A0A096LZF0_POEFO Loading...

CCHC-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LZF0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 577 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
1M47.4Very low76.2Confident212 Ų21295.7 Ų95.7100%1.04448%0.484SS*.  0-49.60-97-178-80.300111.8Q3 T4 E5M1-Q3 PolarHBondContact O-N 3.43Å; M1-T4 PolarHBondContact O-N 2.75Å; M1-E5 PolarHBondContact O-N 3.11Å
2E54.5Low77.2Confident166 Ų16694.8 Ų94.878%0.77647%0.474SS*.Hα-helixtrans-59-37.9-175.9-146.3168.3-167.100114.8V6E2-V6 WeakPolarHBondContact O-CG2 3.5Å; E2-V6 PolarHBondContact O-N 3.04Å
3Q63.7Low78.2Confident168 Ų16895.5 Ų95.579%0.78548%0.48SS*.Hα-helixtrans-71.6-32.8178.3-71.2-177.2-4.400114M1 M7M1-Q3 PolarHBondContact O-N 3.43Å; Q3-M7 WeakPolarHBondContact O-CG 3.18Å; Q3-M7 PolarHBondContact O-N 2.94Å
4T72.7Confident79.2Confident76 Ų7691.4 Ų91.447%0.46646%0.456SS..Hα-helixtrans-69.4-40.3179.6-48.40000110.6M1 M7 V8 F97M1-T4 PolarHBondContact O-N 2.75Å; T4-M7 PolarHBondContact O-N 3.04Å; T4-V8 WeakPolarHBondContact O-CG2 3.46Å; T4-V8 PolarHBondContact O-N 2.88Å; T4-F97 HydrophobicContact CG2-CD1 4.19Å; T4-F97 HydrophobicContact CG2-CE1 4.42Å
5E77.4Confident79.9Confident135 Ų13585.3 Ų85.363%0.63143%0.426SS*.Hα-helixtrans-62.9-44.3178.2-168.5171.6-176.800111.7M1 M7 V8 T9M1-E5 PolarHBondContact O-N 3.11Å; E5-M7 VanDerWaalsContact C-N 3.29Å; E5-M7 PolarHBondContact O-N 3.14Å; E5-V8 PolarHBondContact O-N 2.76Å; E5-T9 PolarHBondContact O-N 2.98Å; E5-T9 PolarHBondContact O-OG1 3.33Å
6V83.8Confident80.5Confident78 Ų7888 Ų8847%0.47344%0.441SS..Hα-helixtrans-58.3-40.2174.81730000111.9E2 T9 K10E2-V6 WeakPolarHBondContact O-CG2 3.5Å; E2-V6 PolarHBondContact O-N 3.04Å; V6-T9 PolarHBondContact O-N 3.38Å; V6-K10 WeakPolarHBondContact O-CG 3.36Å; V6-K10 PolarHBondContact O-N 3Å
7M86.3Confident80.7Confident19 Ų1986.8 Ų86.89%0.09446%0.456CS..Hα-helixtrans-70.3-38178-69.1-55-15600112.9Q3 T4 E5 K10 L11 K29 L67 F97Q3-M7 WeakPolarHBondContact O-CG 3.18Å; Q3-M7 PolarHBondContact O-N 2.94Å; T4-M7 PolarHBondContact O-N 3.04Å; E5-M7 VanDerWaalsContact C-N 3.29Å; E5-M7 PolarHBondContact O-N 3.14Å; M7-K10 PolarHBondContact O-N 2.94Å; M7-K10 HydrophobicContact SD-CD 4.16Å; M7-L11 WeakPolarHBondContact O-CB 3.34Å; M7-L11 PolarHBondContact O-N 3.39Å; M7-K29 HydrophobicContact CE-CD 3.72Å; M7-K29 HydrophobicContact CE-CG 4.45Å; M7-K29 VanDerWaalsContact CE-NZ 3.34Å; M7-L67 HydrophobicContact CE-CD2 4.05Å; M7-L67 HydrophobicContact SD-CD2 4.19Å; M7-F97 HydrophobicContact CB-CD1 3.76Å; M7-F97 HydrophobicContact CB-CD2 4.2Å; M7-F97 HydrophobicContact CB-CE1 3.94Å; M7-F97 HydrophobicContact CB-CE2 4.37Å; M7-F97 HydrophobicContact CB-CG 3.91Å; M7-F97 HydrophobicContact CB-CZ 4.24Å; M7-F97 HydrophobicContact CG-CD1 4.32Å; M7-F97 HydrophobicContact CG-CD2 4.48Å; M7-F97 HydrophobicContact CG-CE1 3.99Å; M7-F97 HydrophobicContact CG-CE2 4.17Å; M7-F97 HydrophobicContact CG-CZ 3.92Å
8V85.7Confident81Confident35 Ų3586.5 Ų86.521%0.21245%0.452CS..Hα-helixtrans-65.7-39.7174.91740000110.7T4 E5 L11 K12 V99T4-V8 WeakPolarHBondContact O-CG2 3.46Å; T4-V8 PolarHBondContact O-N 2.88Å; E5-V8 PolarHBondContact O-N 2.76Å; V8-L11 WeakPolarHBondContact O-CB 3.41Å; V8-L11 PolarHBondContact O-N 2.8Å; V8-K12 WeakPolarHBondContact O-CG 3.49Å; V8-K12 PolarHBondContact O-N 3.14Å; V8-V99 HydrophobicContact CG1-CG2 4.43Å
9T87.4Confident81.2Confident71 Ų7185.6 Ų85.644%0.43647%0.466SS..Hα-helixtrans-62.9-42.9173.2-50.70000111.8E5 V6 L11 K12 N13E5-T9 PolarHBondContact O-N 2.98Å; E5-T9 PolarHBondContact O-OG1 3.33Å; V6-T9 PolarHBondContact O-N 3.38Å; T9-L11 VanDerWaalsContact C-N 3.34Å; T9-L11 PolarHBondContact O-N 3.38Å; T9-K12 PolarHBondContact O-N 3.22Å; T9-N13 PolarHBondContact O-N 2.81Å; T9-N13 VanDerWaalsContact O-N 3.09Å; T9-N13 PolarHBondContact O-ND2 2.65Å
10K88.8Confident81.6Confident93 Ų9382 Ų8240%0.40445%0.446SS..Hα-helixtrans-60.7-42.3174.4-78.2-178.2178.2-176.50112V6 M7 N13 W14V6-K10 WeakPolarHBondContact O-CG 3.36Å; V6-K10 PolarHBondContact O-N 3Å; M7-K10 PolarHBondContact O-N 2.94Å; M7-K10 HydrophobicContact SD-CD 4.16Å; K10-N13 PolarHBondContact O-N 2.87Å; K10-W14 WeakPolarHBondContact O-CB 3.44Å; K10-W14 PolarHBondContact O-N 3.09Å
11L90.9Very high81.9Confident0 Ų082.6 Ų82.60%045%0.449CS..Hα-helixtrans-57.4-51.8175.2170.859.1000111.1M7 V8 T9 N13 W14 C15 A25 L27 L69 V99M7-L11 WeakPolarHBondContact O-CB 3.34Å; M7-L11 PolarHBondContact O-N 3.39Å; V8-L11 WeakPolarHBondContact O-CB 3.41Å; V8-L11 PolarHBondContact O-N 2.8Å; T9-L11 VanDerWaalsContact C-N 3.34Å; T9-L11 PolarHBondContact O-N 3.38Å; L11-N13 PolarHBondContact O-N 2.96Å; L11-W14 PolarHBondContact O-N 3.38Å; L11-C15 VanDerWaalsContact CD1-SG 3.56Å; L11-C15 WeakPolarHBondContact O-CB 3.37Å; L11-C15 PolarHBondContact O-N 3.15Å; L11-C15 PolarHBondContact O-SG 3.24Å; L11-A25 HydrophobicContact CD1-CB 4.02Å; L11-L27 HydrophobicContact CB-CB 4.17Å; L11-L27 HydrophobicContact CB-CD2 4.24Å; L11-L27 HydrophobicContact CD1-CB 4.07Å; L11-L27 HydrophobicContact CD2-CB 4.44Å; L11-L27 HydrophobicContact CG-CB 4.45Å; L11-L69 HydrophobicContact CD1-CD1 3.44Å; L11-L69 VanDerWaalsContact CD1-CD1 3.44Å; L11-V99 HydrophobicContact CD2-CG2 3.85Å; L11-V99 HydrophobicContact CG-CG2 4.21Å
12K87.9Confident83.9Confident85 Ų8575.4 Ų75.437%0.3741%0.413SS..Hα-helixtrans-56.2-48.8178.6-70.2-174.8173.5-174.10112.5V8 T9 W14 C15 L16 V99V8-K12 WeakPolarHBondContact O-CG 3.49Å; V8-K12 PolarHBondContact O-N 3.14Å; T9-K12 PolarHBondContact O-N 3.22Å; K12-W14 VanDerWaalsContact C-N 3.31Å; K12-W14 PolarHBondContact O-N 3.19Å; K12-C15 PolarHBondContact O-N 3.19Å; K12-L16 WeakPolarHBondContact O-CG 3.41Å; K12-L16 PolarHBondContact O-N 3Å; K12-V99 VanDerWaalsContact CE-CG1 3.44Å; K12-V99 HydrophobicContact CG-CG2 3.84Å
13N90Very high85.4Confident103 Ų10368.5 Ų68.555%0.55138%0.383SS*.Hα-helixtrans-63.2-37.8179.8-69.1-21.3000112.5T9 K10 L11 G17T9-N13 PolarHBondContact O-N 2.81Å; T9-N13 VanDerWaalsContact O-N 3.09Å; T9-N13 PolarHBondContact O-ND2 2.65Å; K10-N13 PolarHBondContact O-N 2.87Å; L11-N13 PolarHBondContact O-N 2.96Å; N13-G17 PolarHBondContact O-N 3.24Å
14W92.6Very high86.6Confident38 Ų3862.8 Ų62.814%0.14436%0.356CS..Hα-helixtrans-73.8-39179.3-158.1-10000111.9K10 L11 K12 L16 G17 E18 L27 M58 L67 L69K10-W14 WeakPolarHBondContact O-CB 3.44Å; K10-W14 PolarHBondContact O-N 3.09Å; L11-W14 PolarHBondContact O-N 3.38Å; K12-W14 VanDerWaalsContact C-N 3.31Å; K12-W14 PolarHBondContact O-N 3.19Å; W14-L16 VanDerWaalsContact C-N 3.31Å; W14-L16 PolarHBondContact O-N 2.98Å; W14-G17 PolarHBondContact O-N 2.88Å; W14-G17 VanDerWaalsContact O-N 3.13Å; W14-E18 PolarHBondContact O-N 2.9Å; W14-L27 HydrophobicContact CE3-CD1 3.78Å; W14-L27 HydrophobicContact CZ3-CD1 3.79Å; W14-M58 HydrophobicContact CH2-CB 3.42Å; W14-M58 VanDerWaalsContact CH2-CB 3.42Å; W14-M58 HydrophobicContact CH2-CE 4.35Å; W14-M58 HydrophobicContact CZ2-CB 4.09Å; W14-M58 HydrophobicContact CZ2-CE 4.31Å; W14-M58 HydrophobicContact CZ3-CB 3.93Å; W14-M58 HydrophobicContact CZ3-CE 4.43Å; W14-L67 HydrophobicContact CZ3-CB 4.16Å; W14-L69 HydrophobicContact CB-CD2 4.2Å; W14-L69 HydrophobicContact CD2-CB 3.99Å; W14-L69 HydrophobicContact CD2-CD2 4.02Å; W14-L69 HydrophobicContact CE3-CB 4.05Å; W14-L69 HydrophobicContact CG-CD2 3.72Å; W14-L69 HydrophobicContact CH2-CB 4.32Å; W14-L69 HydrophobicContact CZ2-CB 4.29Å; W14-L69 HydrophobicContact CZ3-CB 4.21Å
15C89.5Confident87.5Confident1 Ų159.2 Ų59.21%0.00733%0.334CS..Hα-helixtrans-57-43.7171.4-71.90000112.1L11 K12 G17 E18 G19 I20 E22 A25L11-C15 VanDerWaalsContact CD1-SG 3.56Å; L11-C15 WeakPolarHBondContact O-CB 3.37Å; L11-C15 PolarHBondContact O-N 3.15Å; L11-C15 PolarHBondContact O-SG 3.24Å; K12-C15 PolarHBondContact O-N 3.19Å; C15-G17 VanDerWaalsContact C-N 3.31Å; C15-G17 PolarHBondContact O-N 3.31Å; C15-E18 PolarHBondContact O-N 3.38Å; C15-G19 PolarHBondContact O-N 3.09Å; C15-I20 WeakPolarHBondContact CB-O 3.14Å; C15-I20 PolarHBondContact O-N 3.48Å; C15-E22 HydrophobicContact CB-CG 4.16Å; C15-A25 WeakPolarHBondContact SG-CB 3.44Å
16L88.7Confident88.3Confident128 Ų12852.8 Ų52.867%0.6730%0.304SS*.Hα-helixtrans-59.4-40.7174.9-73.6168.9000112.3K12 W14K12-L16 WeakPolarHBondContact O-CG 3.41Å; K12-L16 PolarHBondContact O-N 3Å; W14-L16 VanDerWaalsContact C-N 3.31Å; W14-L16 PolarHBondContact O-N 2.98Å
17G84.3Confident88.8Confident67 Ų6749.1 Ų49.169%0.69128%0.282SS*.Hα-helixtrans-69.8-35.9178.900000114.2N13 W14 C15N13-G17 PolarHBondContact O-N 3.24Å; W14-G17 PolarHBondContact O-N 2.88Å; W14-G17 VanDerWaalsContact O-N 3.13Å; C15-G17 VanDerWaalsContact C-N 3.31Å; C15-G17 PolarHBondContact O-N 3.31Å
18E86.2Confident89.1Confident82 Ų8248.2 Ų48.238%0.38328%0.277SS..Hα-helixtrans-93.4-2.8-177.9-70.4-68.6157.700113.7W14 C15 I20 R55 L69W14-E18 PolarHBondContact O-N 2.9Å; C15-E18 PolarHBondContact O-N 3.38Å; E18-I20 VanDerWaalsContact C-N 3.35Å; E18-I20 HydrophobicContact CB-CD1 3.67Å; E18-I20 HydrophobicContact CB-CG1 3.96Å; E18-R55 IonicContact OE2-NH1 2.68Å; E18-L69 HydrophobicContact CB-CD2 4.31Å; E18-L69 HydrophobicContact CG-CD2 4.06Å
19G85.9Confident89.4Confident70 Ų7047.6 Ų47.672%0.72227%0.272SS*.THydrogen-bonded Turntrans67.132.1-177.900000113.7C15C15-G19 PolarHBondContact O-N 3.09Å
20I88.9Confident89.7Confident12 Ų1244.2 Ų44.26%0.06225%0.251CS..  trans-99.3139-178.3-59.2165.6000109.3C15 E18 E22 A25 R55 L69 E71C15-I20 WeakPolarHBondContact CB-O 3.14Å; C15-I20 PolarHBondContact O-N 3.48Å; E18-I20 VanDerWaalsContact C-N 3.35Å; E18-I20 HydrophobicContact CB-CD1 3.67Å; E18-I20 HydrophobicContact CB-CG1 3.96Å; I20-E22 PolarHBondContact O-N 3.35Å; I20-A25 HydrophobicContact CG2-CB 3.9Å; I20-R55 HydrophobicContact CD1-CB 3.54Å; I20-R55 HydrophobicContact CD1-CG 3.64Å; I20-L69 HydrophobicContact CD1-CD2 3.78Å; I20-L69 HydrophobicContact CD1-CG 4.32Å; I20-E71 HydrophobicContact CG2-CB 4.26Å; I20-E71 HydrophobicContact CG2-CG 4.13Å
21N86.8Confident89.7Confident95 Ų9542.1 Ų42.151%0.50825%0.247SC..  trans-70.8124.8175.1-173.8-28.7000110.4S23 H24 A25N21-S23 VanDerWaalsContact CG-OG 3.28Å; N21-S23 PolarHBondContact ND2-OG 3.15Å; N21-S23 PolarHBondContact O-N 2.83Å; N21-S23 VanDerWaalsContact O-N 3.17Å; N21-S23 PolarHBondContact OD1-N 3.28Å; N21-S23 PolarHBondContact OD1-OG 2.9Å; N21-H24 PolarHBondContact O-N 3.01Å; N21-A25 PolarHBondContact O-N 2.84Å
22E89Confident89.4Confident61 Ų6147.2 Ų47.229%0.28527%0.271SS..G310 helixtrans-54.3-34.8-179.6-63.6-178.4-173.400113.5C15 I20 H24 A25 V99C15-E22 HydrophobicContact CB-CG 4.16Å; I20-E22 PolarHBondContact O-N 3.35Å; E22-H24 PolarHBondContact O-N 3.42Å; E22-A25 PolarHBondContact O-N 3.01Å; E22-V99 HydrophobicContact CB-CB 4.45Å; E22-V99 HydrophobicContact CB-CG2 4.11Å
23S86.1Confident89.3Confident21 Ų2150.2 Ų50.215%0.14729%0.291CS..G310 helixtrans-72.3-6.5178.563.10000113.9N21 K75 L76N21-S23 VanDerWaalsContact CG-OG 3.28Å; N21-S23 PolarHBondContact ND2-OG 3.15Å; N21-S23 PolarHBondContact O-N 2.83Å; N21-S23 VanDerWaalsContact O-N 3.17Å; N21-S23 PolarHBondContact OD1-N 3.28Å; N21-S23 PolarHBondContact OD1-OG 2.9Å; S23-K75 CarbonylContact O-C 3.51Å; S23-K75 WeakPolarHBondContact O-CA 3.36Å; S23-L76 PolarHBondContact O-N 3.41Å
24H90Very high89.2Confident49 Ų4946 Ų4623%0.22727%0.269CS..G310 helixtrans-119.37.8176.3-74.4-90.3000112.1N21 E22 C72 R73 E74 K75N21-H24 PolarHBondContact O-N 3.01Å; E22-H24 PolarHBondContact O-N 3.42Å; H24-C72 PolarHBondContact ND1-O 2.81Å; H24-C72 WeakPolarHBondContact O-CB 3.25Å; H24-C72 PolarHBondContact O-N 2.76Å; H24-R73 PolarHBondContact CE1-O 3.36Å; H24-R73 PolarHBondContact ND1-O 2.67Å; H24-E74 PolarHBondContact ND1-O 3.08Å; H24-E74 VanDerWaalsContact ND1-O 3.1Å; H24-K75 PolarHBondContact CE1-N 3.06Å
25A91.8Very high89.1Confident0 Ų050.7 Ų50.70%029%0.292CS..EExtended strand (participates in β ladder)trans-114.4140.9-172.800000112.2L11 C15 I20 N21 E22 L69 C70 L76L11-A25 HydrophobicContact CD1-CB 4.02Å; C15-A25 WeakPolarHBondContact SG-CB 3.44Å; I20-A25 HydrophobicContact CG2-CB 3.9Å; N21-A25 PolarHBondContact O-N 2.84Å; E22-A25 PolarHBondContact O-N 3.01Å; A25-L69 HydrophobicContact CB-CD1 4.42Å; A25-C70 WeakPolarHBondContact CA-O 3.32Å; A25-L76 WeakPolarHBondContact O-CD1 3.28Å
26L93.3Very high89.3Confident0 Ų052.9 Ų52.90%031%0.305CS..EExtended strand (participates in β ladder)trans-128.7153.7169.573.582.6000110.9T28 L43 L49 C70 C72 L76 V96 F97 I98L26-T28 HydrophobicContact CD1-CG2 4.41Å; L26-L43 HydrophobicContact CD1-CD1 4.04Å; L26-L43 HydrophobicContact CD1-CD2 4.33Å; L26-L49 HydrophobicContact CD2-CD1 3.51Å; L26-L49 HydrophobicContact CD2-CD2 4.12Å; L26-L49 HydrophobicContact CD2-CG 4.43Å; L26-C70 HydrophobicContact CD1-CB 3.73Å; L26-C70 HydrophobicContact CG-CB 3.82Å; L26-C70 PolarHBondContact N-O 3.48Å; L26-C70 PolarHBondContact O-N 3.24Å; L26-C72 VanDerWaalsContact CD2-SG 3.52Å; L26-L76 HydrophobicContact CB-CD1 4.12Å; L26-V96 HydrophobicContact CB-CG1 4.48Å; L26-F97 WeakPolarHBondContact CA-O 3.45Å; L26-I98 HydrophobicContact CB-CG2 3.93Å
27L93.8Very high89.4Confident1 Ų149.7 Ų49.71%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-115.5138.8172.6-166.571.2000109.1L11 W14 L67 V68 L69 F97L11-L27 HydrophobicContact CB-CB 4.17Å; L11-L27 HydrophobicContact CB-CD2 4.24Å; L11-L27 HydrophobicContact CD1-CB 4.07Å; L11-L27 HydrophobicContact CD2-CB 4.44Å; L11-L27 HydrophobicContact CG-CB 4.45Å; W14-L27 HydrophobicContact CE3-CD1 3.78Å; W14-L27 HydrophobicContact CZ3-CD1 3.79Å; L27-L67 HydrophobicContact CD1-CD2 4.42Å; L27-L67 HydrophobicContact CD2-CD2 3.98Å; L27-L67 HydrophobicContact CG-CD2 4.08Å; L27-V68 WeakPolarHBondContact CA-O 3.41Å; L27-L69 HydrophobicContact CD1-CB 4.44Å; L27-F97 HydrophobicContact CB-CB 4.21Å; L27-F97 HydrophobicContact CB-CD2 4.42Å; L27-F97 PolarHBondContact N-O 3.42Å; L27-F97 WeakPolarHBondContact O-CD2 3.38Å; L27-F97 PolarHBondContact O-N 3.5Å
28T93.6Very high89.7Confident0 Ų049.9 Ų49.90%028%0.28CS..EExtended strand (participates in β ladder)trans-139.4161.2174.7-170.50000112L26 V30 L43 L67 V68 P95L26-T28 HydrophobicContact CD1-CG2 4.41Å; T28-V30 HydrophobicContact CG2-CG1 4.04Å; T28-L43 HydrophobicContact CG2-CD1 4.19Å; T28-L67 WeakPolarHBondContact O-CA 3.35Å; T28-V68 HydrophobicContact CG2-CB 3.97Å; T28-V68 PolarHBondContact N-O 2.85Å; T28-V68 PolarHBondContact O-N 3.32Å; T28-P95 VanDerWaalsContact CA-O 3.28Å; T28-P95 WeakPolarHBondContact CA-O 3.28Å; T28-P95 VanDerWaalsContact CB-O 3.3Å; T28-P95 WeakPolarHBondContact CB-O 3.46Å; T28-P95 PolarHBondContact OG1-O 2.89Å
29K92.6Very high90Very high22 Ų2246 Ų4610%0.09626%0.262CS..EExtended strand (participates in β ladder)trans-113.7125.8175.8-68.1-171.9128.3-172.60109.9M7 D60 T63 I66 L67 P95 F97M7-K29 HydrophobicContact CE-CD 3.72Å; M7-K29 HydrophobicContact CE-CG 4.45Å; M7-K29 VanDerWaalsContact CE-NZ 3.34Å; K29-D60 WeakPolarHBondContact CE-OD2 3.18Å; K29-D60 IonicContact NZ-OD2 3.52Å; K29-D60 PolarHBondContact NZ-OD2 3.04Å; K29-T63 PolarHBondContact NZ-OG1 3.14Å; K29-T63 VanDerWaalsContact NZ-OG1 3.11Å; K29-I66 WeakPolarHBondContact CA-O 3.48Å; K29-L67 HydrophobicContact CD-CD2 4.32Å; K29-L67 HydrophobicContact CG-CD2 3.67Å; K29-L67 HydrophobicContact CG-CG 4.28Å; K29-P95 HydrophobicContact CB-CG 3.91Å; K29-P95 HydrophobicContact CD-CG 4.49Å; K29-P95 HydrophobicContact CG-CG 4.29Å; K29-F97 HydrophobicContact CG-CE2 4.47Å
30V92.1Very high90.4Very high0 Ų045.1 Ų45.10%024%0.239CC..EExtended strand (participates in β ladder)trans-131.3156.7-176.5-51.60000111.6T28 I39 I66 V68 W94T28-V30 HydrophobicContact CG2-CG1 4.04Å; V30-I39 HydrophobicContact CG1-CG1 4.33Å; V30-I39 HydrophobicContact CG2-CD1 3.97Å; V30-I39 HydrophobicContact CG2-CG1 4.42Å; V30-I66 HydrophobicContact CG2-CB 4Å; V30-I66 HydrophobicContact CG2-CG2 4.46Å; V30-I66 PolarHBondContact N-O 3.3Å; V30-I66 PolarHBondContact O-N 2.96Å; V30-V68 HydrophobicContact CG1-CG2 4.28Å; V30-V68 HydrophobicContact CG2-CG2 3.57Å; V30-W94 HydrophobicContact CB-CD2 4.35Å; V30-W94 HydrophobicContact CB-CZ2 4.35Å; V30-W94 HydrophobicContact CG1-CD2 3.57Å; V30-W94 HydrophobicContact CG1-CE3 3.61Å; V30-W94 HydrophobicContact CG1-CG 4.09Å; V30-W94 HydrophobicContact CG1-CH2 4.19Å; V30-W94 HydrophobicContact CG1-CZ2 4.15Å; V30-W94 HydrophobicContact CG1-CZ3 3.93Å
31P90.1Very high90.6Very high49 Ų4950 Ų5032%0.31826%0.262SS..EExtended strand (participates in β ladder)trans-58.6153.7172.5-24.333.7000113.8N33 T34P31-N33 PolarHBondContact O-N 2.7Å; P31-N33 VanDerWaalsContact O-N 3.15Å; P31-T34 WeakPolarHBondContact CD-OG1 3.41Å; P31-T34 WeakPolarHBondContact O-CB 3.21Å; P31-T34 PolarHBondContact O-N 2.78Å; P31-T34 PolarHBondContact O-OG1 3.12Å; P31-T34 VanDerWaalsContact O-OG1 3.12Å
32Q85.3Confident90.8Very high107 Ų10745.5 Ų45.550%0.524%0.238SC..THydrogen-bonded Turntrans-58.7-31.7-175.2-168.1-177.512.700114.4I66Q32-I66 HydrophobicContact CB-CD1 4.47Å; Q32-I66 HydrophobicContact CG-CD1 4.24Å; Q32-I66 VanDerWaalsContact O-CD1 3.28Å; Q32-I66 WeakPolarHBondContact O-CD1 3.33Å
33N84.6Confident90.9Very high149 Ų14942.6 Ų42.680%0.79723%0.225SC*.THydrogen-bonded Turntrans-93.910.7-175-62.2-35.9000113.7P31P31-N33 PolarHBondContact O-N 2.7Å; P31-N33 VanDerWaalsContact O-N 3.15Å
34T88.4Confident91.2Very high13 Ų1345 Ų458%0.0823%0.234CC..  trans-80.2124.3-178.4-51.40000111.2P31 Q38 I39 W94P31-T34 WeakPolarHBondContact CD-OG1 3.41Å; P31-T34 WeakPolarHBondContact O-CB 3.21Å; P31-T34 PolarHBondContact O-N 2.78Å; P31-T34 PolarHBondContact O-OG1 3.12Å; P31-T34 VanDerWaalsContact O-OG1 3.12Å; T34-Q38 HydrophobicContact CG2-CB 4.27Å; T34-Q38 HydrophobicContact CG2-CG 4.26Å; T34-I39 HydrophobicContact CG2-CD1 4.17Å; T34-I39 HydrophobicContact CG2-CG1 3.55Å; T34-W94 HydrophobicContact CG2-CH2 3.67Å; T34-W94 HydrophobicContact CG2-CZ2 3.62Å
35E91.1Very high91.2Very high137 Ų13745.6 Ų45.664%0.6424%0.24SC*.  trans-74.7150.9179-65.3-169.9174.600112.5A37 Q38 I39E35-A37 VanDerWaalsContact C-N 3.29Å; E35-A37 PolarHBondContact O-N 2.86Å; E35-Q38 HydrophobicContact CB-CB 4.5Å; E35-Q38 WeakPolarHBondContact O-CB 3.36Å; E35-Q38 PolarHBondContact O-N 3.41Å; E35-Q38 VanDerWaalsContact O-N 3.11Å; E35-I39 WeakPolarHBondContact O-CG1 3.44Å; E35-I39 PolarHBondContact O-N 2.83Å
36V92.3Very high91Very high47 Ų4746.3 Ų46.329%0.28524%0.244SC..Hα-helixtrans-57.1-42.2179.6172.50000112Q38 I39 E40 V54V36-Q38 VanDerWaalsContact C-N 3.3Å; V36-Q38 PolarHBondContact O-N 3.47Å; V36-I39 PolarHBondContact O-N 3.42Å; V36-E40 HydrophobicContact CG1-CG 4.36Å; V36-E40 WeakPolarHBondContact O-CG 3.42Å; V36-E40 PolarHBondContact O-N 2.91Å; V36-V54 HydrophobicContact CG1-CB 3.83Å; V36-V54 HydrophobicContact CG1-CG2 3.92Å
37A91.3Very high90.8Very high61 Ų6154.5 Ų54.550%0.50428%0.28SS..Hα-helixtrans-60.7-41.5178.800000111.8E35 I39 E40 E41E35-A37 VanDerWaalsContact C-N 3.29Å; E35-A37 PolarHBondContact O-N 2.86Å; A37-I39 VanDerWaalsContact C-N 3.34Å; A37-I39 PolarHBondContact O-N 3.34Å; A37-E40 PolarHBondContact O-N 2.91Å; A37-E41 VanDerWaalsContact O-CB 3.32Å; A37-E41 WeakPolarHBondContact O-CB 3.47Å; A37-E41 PolarHBondContact O-N 3.06Å
38Q91Very high90.4Very high71 Ų7156.8 Ų56.833%0.33230%0.295SS..Hα-helixtrans-66.2-37.3177.3-171.8179.97.400111.8T34 E35 V36 T42T34-Q38 HydrophobicContact CG2-CB 4.27Å; T34-Q38 HydrophobicContact CG2-CG 4.26Å; E35-Q38 HydrophobicContact CB-CB 4.5Å; E35-Q38 WeakPolarHBondContact O-CB 3.36Å; E35-Q38 PolarHBondContact O-N 3.41Å; E35-Q38 VanDerWaalsContact O-N 3.11Å; V36-Q38 VanDerWaalsContact C-N 3.3Å; V36-Q38 PolarHBondContact O-N 3.47Å; Q38-T42 VanDerWaalsContact O-CB 3.25Å; Q38-T42 WeakPolarHBondContact O-CB 3.24Å; Q38-T42 PolarHBondContact O-N 3.06Å; Q38-T42 PolarHBondContact O-OG1 3.12Å
39I92.2Very high90.1Very high1 Ų156.8 Ų56.81%0.00530%0.295CS..Hα-helixtrans-65.2-48.7176.6-61.5161.1000110.6V30 T34 E35 V36 A37 T42 L43 V54 V68 W94V30-I39 HydrophobicContact CG1-CG1 4.33Å; V30-I39 HydrophobicContact CG2-CD1 3.97Å; V30-I39 HydrophobicContact CG2-CG1 4.42Å; T34-I39 HydrophobicContact CG2-CD1 4.17Å; T34-I39 HydrophobicContact CG2-CG1 3.55Å; E35-I39 WeakPolarHBondContact O-CG1 3.44Å; E35-I39 PolarHBondContact O-N 2.83Å; V36-I39 PolarHBondContact O-N 3.42Å; A37-I39 VanDerWaalsContact C-N 3.34Å; A37-I39 PolarHBondContact O-N 3.34Å; I39-T42 PolarHBondContact O-N 3.12Å; I39-L43 HydrophobicContact CG2-CD1 3.8Å; I39-L43 WeakPolarHBondContact O-CB 3.16Å; I39-L43 WeakPolarHBondContact O-CG 3.25Å; I39-L43 PolarHBondContact O-N 2.93Å; I39-V54 HydrophobicContact CB-CG2 4.23Å; I39-V54 HydrophobicContact CG2-CG2 3.92Å; I39-V68 HydrophobicContact CD1-CG2 4.11Å; I39-V68 HydrophobicContact CG2-CG1 4.29Å; I39-W94 HydrophobicContact CB-CH2 4.41Å; I39-W94 HydrophobicContact CB-CZ3 4.24Å; I39-W94 HydrophobicContact CG1-CH2 4Å; I39-W94 HydrophobicContact CG1-CZ3 4.19Å; I39-W94 HydrophobicContact CG2-CZ3 4.16Å
40E94.6Very high89.9Confident51 Ų5157 Ų5724%0.23830%0.303CS..Hα-helixtrans-62.7-43.5178.6-68.6-176.3173.200111.7V36 A37 Q44 R53 V54V36-E40 HydrophobicContact CG1-CG 4.36Å; V36-E40 WeakPolarHBondContact O-CG 3.42Å; V36-E40 PolarHBondContact O-N 2.91Å; A37-E40 PolarHBondContact O-N 2.91Å; E40-Q44 VanDerWaalsContact O-CB 3.27Å; E40-Q44 WeakPolarHBondContact O-CB 3.38Å; E40-Q44 WeakPolarHBondContact O-CG 3.2Å; E40-Q44 PolarHBondContact O-N 3.23Å; E40-R53 VanDerWaalsContact OE1-CA 3.31Å; E40-R53 WeakPolarHBondContact OE1-CA 3.15Å; E40-V54 HydrophobicContact CG-CG2 3.89Å; E40-V54 PolarHBondContact OE1-N 3.18Å
41E92.8Very high89.9Confident116 Ų11664 Ų6454%0.54233%0.33SS..Hα-helixtrans-64.9-43.7179-165.2-178-174.100111.9A37 Q44 T45 L88A37-E41 VanDerWaalsContact O-CB 3.32Å; A37-E41 WeakPolarHBondContact O-CB 3.47Å; A37-E41 PolarHBondContact O-N 3.06Å; E41-Q44 PolarHBondContact O-N 2.92Å; E41-T45 PolarHBondContact O-N 3.35Å; E41-L88 HydrophobicContact CB-CD1 4.08Å; E41-L88 HydrophobicContact CG-CD1 3.7Å
42T91.8Very high90.1Very high0 Ų061.6 Ų61.60%032%0.315CS..Hα-helixtrans-65-46.2178.9-59.20000111.1Q38 I39 Q44 T45 V85 T87 W94Q38-T42 VanDerWaalsContact O-CB 3.25Å; Q38-T42 WeakPolarHBondContact O-CB 3.24Å; Q38-T42 PolarHBondContact O-N 3.06Å; Q38-T42 PolarHBondContact O-OG1 3.12Å; I39-T42 PolarHBondContact O-N 3.12Å; T42-Q44 VanDerWaalsContact C-N 3.31Å; T42-Q44 PolarHBondContact O-N 2.94Å; T42-T45 VanDerWaalsContact O-CB 3.31Å; T42-T45 WeakPolarHBondContact O-CB 3.15Å; T42-T45 VanDerWaalsContact O-CG2 3.28Å; T42-T45 WeakPolarHBondContact O-CG2 3.44Å; T42-T45 PolarHBondContact O-N 3.48Å; T42-T45 VanDerWaalsContact O-N 3.17Å; T42-T45 PolarHBondContact O-OG1 2.85Å; T42-V85 HydrophobicContact CG2-CG1 4.38Å; T42-V85 HydrophobicContact CG2-CG2 4.09Å; T42-T87 HydrophobicContact CG2-CG2 4.31Å; T42-W94 HydrophobicContact CG2-CE3 3.99Å; T42-W94 HydrophobicContact CG2-CH2 4.14Å; T42-W94 HydrophobicContact CG2-CZ3 3.7Å
43L91.3Very high90.5Very high0 Ų062.6 Ų62.60%031%0.314CS..Hα-helixtrans-68-31.5178.3-69.2169.8000112.2L26 T28 I39 T45 I46 L49 V52 C70 V85 V96L26-L43 HydrophobicContact CD1-CD1 4.04Å; L26-L43 HydrophobicContact CD1-CD2 4.33Å; T28-L43 HydrophobicContact CG2-CD1 4.19Å; I39-L43 HydrophobicContact CG2-CD1 3.8Å; I39-L43 WeakPolarHBondContact O-CB 3.16Å; I39-L43 WeakPolarHBondContact O-CG 3.25Å; I39-L43 PolarHBondContact O-N 2.93Å; L43-T45 PolarHBondContact O-N 3.5Å; L43-I46 WeakPolarHBondContact O-CB 3.4Å; L43-I46 PolarHBondContact O-N 3.43Å; L43-L49 HydrophobicContact CB-CD1 4.47Å; L43-V52 HydrophobicContact CB-CB 4.36Å; L43-V52 HydrophobicContact CB-CG1 4.06Å; L43-V52 HydrophobicContact CB-CG2 4.14Å; L43-V52 HydrophobicContact CD1-CG1 3.99Å; L43-C70 HydrophobicContact CD1-CB 4.3Å; L43-C70 VanDerWaalsContact CD1-SG 3.54Å; L43-V85 HydrophobicContact CD2-CG1 4.04Å; L43-V96 HydrophobicContact CD2-CG2 4.41Å
44Q92.3Very high91.1Very high72 Ų7256.8 Ų56.834%0.33628%0.284SS..THydrogen-bonded Turntrans-69.3-6.1174.6-74.8172.23000114.2E40 E41 T42 I46 K47 V52E40-Q44 VanDerWaalsContact O-CB 3.27Å; E40-Q44 WeakPolarHBondContact O-CB 3.38Å; E40-Q44 WeakPolarHBondContact O-CG 3.2Å; E40-Q44 PolarHBondContact O-N 3.23Å; E41-Q44 PolarHBondContact O-N 2.92Å; T42-Q44 VanDerWaalsContact C-N 3.31Å; T42-Q44 PolarHBondContact O-N 2.94Å; Q44-I46 PolarHBondContact O-N 3.36Å; Q44-K47 PolarHBondContact O-NZ 2.84Å; Q44-V52 HydrophobicContact CG-CB 4.03Å; Q44-V52 HydrophobicContact CG-CG2 3.97Å; Q44-V52 PolarHBondContact NE2-O 3.16Å
45T88.9Confident91.3Very high60 Ų6061 Ų6137%0.36830%0.298SS..THydrogen-bonded Turntrans-64.3-31.4166.166.80000111.2E41 T42 L43 K47 L88E41-T45 PolarHBondContact O-N 3.35Å; T42-T45 VanDerWaalsContact O-CB 3.31Å; T42-T45 WeakPolarHBondContact O-CB 3.15Å; T42-T45 VanDerWaalsContact O-CG2 3.28Å; T42-T45 WeakPolarHBondContact O-CG2 3.44Å; T42-T45 PolarHBondContact O-N 3.48Å; T42-T45 VanDerWaalsContact O-N 3.17Å; T42-T45 PolarHBondContact O-OG1 2.85Å; L43-T45 PolarHBondContact O-N 3.5Å; T45-K47 PolarHBondContact O-N 2.88Å; T45-K47 VanDerWaalsContact O-N 3.12Å; T45-L88 HydrophobicContact CG2-CD2 4.26Å
46I89Confident91.3Very high16 Ų1654.9 Ų54.98%0.08227%0.272CS..SBendtrans-77.496.5174.6-52.4170000108.8L43 Q44 C48 L49 P82 V85 V96L43-I46 WeakPolarHBondContact O-CB 3.4Å; L43-I46 PolarHBondContact O-N 3.43Å; Q44-I46 PolarHBondContact O-N 3.36Å; I46-C48 VanDerWaalsContact C-N 3.26Å; I46-C48 WeakPolarHBondContact CG2-SG 3.25Å; I46-C48 PolarHBondContact O-N 3.36Å; I46-C48 VanDerWaalsContact O-N 3.17Å; I46-L49 HydrophobicContact CB-CD1 3.76Å; I46-L49 HydrophobicContact CB-CG 3.83Å; I46-L49 HydrophobicContact CD1-CD1 3.84Å; I46-L49 HydrophobicContact CG1-CD1 4.35Å; I46-L49 HydrophobicContact CG2-CD1 4.07Å; I46-L49 HydrophobicContact CG2-CD2 4.38Å; I46-L49 HydrophobicContact CG2-CG 3.72Å; I46-L49 WeakPolarHBondContact O-CB 3.02Å; I46-L49 PolarHBondContact O-N 2.87Å; I46-P82 HydrophobicContact CD1-CG 3.82Å; I46-P82 HydrophobicContact CG1-CG 4.04Å; I46-P82 HydrophobicContact CG2-CG 4.27Å; I46-V85 HydrophobicContact CD1-CB 4.08Å; I46-V85 HydrophobicContact CD1-CG2 4.06Å; I46-V85 HydrophobicContact CG1-CG2 4.14Å; I46-V96 HydrophobicContact CD1-CG2 4.42Å
47K88Confident91.3Very high172 Ų17259.7 Ų59.775%0.74829%0.285SS*.G310 helixtrans-60.9-29.5-170.2-60-56.5175.2-162.50114.7Q44 T45 L49 G50Q44-K47 PolarHBondContact O-NZ 2.84Å; T45-K47 PolarHBondContact O-N 2.88Å; T45-K47 VanDerWaalsContact O-N 3.12Å; K47-L49 PolarHBondContact O-N 2.86Å; K47-G50 PolarHBondContact O-N 3.49Å
48C85.9Confident91.3Very high48 Ų4861.4 Ų61.432%0.32428%0.284SS..G310 helixtrans-70.4-14.1178.3600000113.8I46 E74 D80I46-C48 VanDerWaalsContact C-N 3.26Å; I46-C48 WeakPolarHBondContact CG2-SG 3.25Å; I46-C48 PolarHBondContact O-N 3.36Å; I46-C48 VanDerWaalsContact O-N 3.17Å; C48-E74 WeakPolarHBondContact O-CB 3.45Å; C48-D80 HydrophobicContact CB-CB 4.45Å; C48-D80 PolarHBondContact SG-O 3.49Å
49L87.7Confident91.2Very high0 Ų062.5 Ų62.50%029%0.288CS..G310 helixtrans-80.7-19175.7-55.2-175.5000113.1L26 L43 I46 K47 R51 V52 C72 L76 I81L26-L49 HydrophobicContact CD2-CD1 3.51Å; L26-L49 HydrophobicContact CD2-CD2 4.12Å; L26-L49 HydrophobicContact CD2-CG 4.43Å; L43-L49 HydrophobicContact CB-CD1 4.47Å; I46-L49 HydrophobicContact CB-CD1 3.76Å; I46-L49 HydrophobicContact CB-CG 3.83Å; I46-L49 HydrophobicContact CD1-CD1 3.84Å; I46-L49 HydrophobicContact CG1-CD1 4.35Å; I46-L49 HydrophobicContact CG2-CD1 4.07Å; I46-L49 HydrophobicContact CG2-CD2 4.38Å; I46-L49 HydrophobicContact CG2-CG 3.72Å; I46-L49 WeakPolarHBondContact O-CB 3.02Å; I46-L49 PolarHBondContact O-N 2.87Å; K47-L49 PolarHBondContact O-N 2.86Å; L49-R51 PolarHBondContact O-N 2.95Å; L49-V52 HydrophobicContact CB-CG2 3.79Å; L49-V52 HydrophobicContact CD1-CG2 4.14Å; L49-C72 WeakPolarHBondContact O-CB 3.48Å; L49-L76 HydrophobicContact CD2-CD2 3.4Å; L49-L76 VanDerWaalsContact CD2-CD2 3.4Å; L49-I81 HydrophobicContact CD2-CD1 3.99Å; L49-I81 HydrophobicContact CD2-CG1 4.13Å; L49-I81 HydrophobicContact CD2-CG2 4.49Å
50G88.1Confident90.9Very high26 Ų2663.2 Ų63.227%0.26829%0.291SS..  trans61.4-132.9-172.600000112.3K47K47-G50 PolarHBondContact O-N 3.49Å
51R91.3Very high90.1Very high147 Ų14769 Ų6956%0.55532%0.319SS*.SBendtrans-81.2120.5177.7-172.2178.5-171.7172.65.6109.6L49 R73L49-R51 PolarHBondContact O-N 2.95Å; R51-R73 HydrophobicContact CB-CB 4.07Å; R51-R73 PolarHBondContact O-N 2.97Å
52V94.3Very high89.3Confident0 Ų068.3 Ų68.30%033%0.326CS..EExtended strand (participates in β ladder)trans-102.1136.7177.9-174.20000109.9L43 Q44 L49 C70 E71L43-V52 HydrophobicContact CB-CB 4.36Å; L43-V52 HydrophobicContact CB-CG1 4.06Å; L43-V52 HydrophobicContact CB-CG2 4.14Å; L43-V52 HydrophobicContact CD1-CG1 3.99Å; Q44-V52 HydrophobicContact CG-CB 4.03Å; Q44-V52 HydrophobicContact CG-CG2 3.97Å; Q44-V52 PolarHBondContact NE2-O 3.16Å; L49-V52 HydrophobicContact CB-CG2 3.79Å; L49-V52 HydrophobicContact CD1-CG2 4.14Å; V52-C70 HydrophobicContact CG1-CB 3.72Å; V52-E71 CarbonylContact C-O 3.05Å; V52-E71 WeakPolarHBondContact CA-O 3.37Å
53R94.9Very high88.5Confident127 Ų12771 Ų7148%0.47934%0.343SS..EExtended strand (participates in β ladder)trans-128.5134.5172.5-72.1-172.2173.5-157.5-3.5111.4E40 C70 E71E40-R53 VanDerWaalsContact OE1-CA 3.31Å; E40-R53 WeakPolarHBondContact OE1-CA 3.15Å; R53-C70 CarbonylContact O-C 3.59Å; R53-C70 VanDerWaalsContact O-CA 3.29Å; R53-C70 WeakPolarHBondContact O-CA 3.41Å; R53-E71 PolarHBondContact N-O 3.29Å; R53-E71 PolarHBondContact O-N 2.91Å
54V95.4Very high88.1Confident28 Ų2876 Ų7617%0.1737%0.369CS..EExtended strand (participates in β ladder)trans-75.6128172.9174.80000109.7V36 I39 E40 R57 V68V36-V54 HydrophobicContact CG1-CB 3.83Å; V36-V54 HydrophobicContact CG1-CG2 3.92Å; I39-V54 HydrophobicContact CB-CG2 4.23Å; I39-V54 HydrophobicContact CG2-CG2 3.92Å; E40-V54 HydrophobicContact CG-CG2 3.89Å; E40-V54 PolarHBondContact OE1-N 3.18Å; V54-R57 HydrophobicContact CG1-CG 4.02Å; V54-V68 HydrophobicContact CB-CG1 4.3Å; V54-V68 HydrophobicContact CG1-CG1 3.55Å; V54-V68 HydrophobicContact CG2-CG1 3.85Å
55R93.4Very high88Confident100 Ų10075.9 Ų75.938%0.37737%0.369SS..EExtended strand (participates in β ladder)trans-113-30-178.1-61.6-66.8-101.292.96.7113.3E18 I20 L69 E71E18-R55 IonicContact OE2-NH1 2.68Å; I20-R55 HydrophobicContact CD1-CB 3.54Å; I20-R55 HydrophobicContact CD1-CG 3.64Å; R55-L69 PolarHBondContact N-O 2.9Å; R55-E71 HydrophobicContact CG-CB 3.66Å; R55-E71 IonicContact CZ-OE2 2.85Å; R55-E71 IonicContact NE-OE2 2.66Å; R55-E71 PolarHBondContact NE-OE2 3.22Å; R55-E71 IonicContact NH2-OE2 2.83Å
56G90.9Very high88.1Confident9 Ų974.1 Ų74.19%0.09336%0.357CS..EExtended strand (participates in β ladder)trans-147.7150.1179.400000112.2V68 L69G56-V68 WeakPolarHBondContact O-CA 3.5Å; G56-L69 PolarHBondContact N-O 3.46Å; G56-L69 PolarHBondContact O-N 3.35Å
57R93.4Very high88.3Confident148 Ų14873.6 Ų73.656%0.55835%0.354SS*.EExtended strand (participates in β ladder)trans-135.6134.9173.5-66.2-174.9-65.8177.40.2109.6V54 I66 L67 V68V54-R57 HydrophobicContact CG1-CG 4.02Å; R57-I66 HydrophobicContact CB-CG2 3.96Å; R57-I66 HydrophobicContact CG-CG2 4.3Å; R57-L67 CarbonylContact C-O 3.53Å; R57-L67 WeakPolarHBondContact CA-O 3.23Å; R57-V68 HydrophobicContact CG-CG1 4.25Å; R57-V68 HydrophobicContact CG-CG2 4.37Å
58M90.9Very high88.6Confident98 Ų9865.4 Ų65.448%0.48332%0.319SS..EExtended strand (participates in β ladder)trans-138129.8-178.4-176.1179.6-6200108.7W14 I66 L67W14-M58 HydrophobicContact CH2-CB 3.42Å; W14-M58 VanDerWaalsContact CH2-CB 3.42Å; W14-M58 HydrophobicContact CH2-CE 4.35Å; W14-M58 HydrophobicContact CZ2-CB 4.09Å; W14-M58 HydrophobicContact CZ2-CE 4.31Å; W14-M58 HydrophobicContact CZ3-CB 3.93Å; W14-M58 HydrophobicContact CZ3-CE 4.43Å; M58-I66 CarbonylContact O-C 3.52Å; M58-I66 WeakPolarHBondContact O-CA 3.33Å; M58-L67 HydrophobicContact CB-CB 4.36Å; M58-L67 PolarHBondContact N-O 3.23Å; M58-L67 PolarHBondContact O-N 3.35Å
59F89Confident89.1Confident94 Ų9463.1 Ų63.141%0.41230%0.303SS..EExtended strand (participates in β ladder)trans-77.1129.9175.7-176.7-112.2000109.8E61 D64 I66F59-E61 HydrophobicContact CD1-CG 3.82Å; F59-E61 HydrophobicContact CE1-CB 4.35Å; F59-E61 HydrophobicContact CE1-CG 3.78Å; F59-D64 WeakPolarHBondContact CZ-OD1 3.37Å; F59-I66 HydrophobicContact CD2-CG1 4.47Å
60D84.4Confident89.4Confident16 Ų1663.1 Ų63.19%0.08630%0.303CS..EExtended strand (participates in β ladder)trans-102.195.9175.7-170.5-9.1000109K29 S62 T63 D64 Q65 L67K29-D60 WeakPolarHBondContact CE-OD2 3.18Å; K29-D60 IonicContact NZ-OD2 3.52Å; K29-D60 PolarHBondContact NZ-OD2 3.04Å; D60-S62 PolarHBondContact O-N 3.2Å; D60-S62 VanDerWaalsContact O-N 3.1Å; D60-S62 WeakPolarHBondContact OD1-CB 3.45Å; D60-S62 PolarHBondContact OD1-N 3.26Å; D60-S62 PolarHBondContact OD1-OG 2.98Å; D60-T63 PolarHBondContact O-N 3.38Å; D60-T63 VanDerWaalsContact O-N 3.14Å; D60-T63 PolarHBondContact OD2-OG1 3.23Å; D60-D64 PolarHBondContact O-N 3.38Å; D60-Q65 WeakPolarHBondContact CB-O 3.26Å; D60-Q65 PolarHBondContact N-O 3.19Å; D60-L67 HydrophobicContact CB-CD1 4.01Å; D60-L67 HydrophobicContact CB-CG 4.43Å
61E78.2Confident89.7Confident173 Ų17365.1 Ų65.181%0.80831%0.306SS*.THydrogen-bonded Turntrans-56.5-25.4-179.9-66.3-177.4173.100113F59F59-E61 HydrophobicContact CD1-CG 3.82Å; F59-E61 HydrophobicContact CE1-CB 4.35Å; F59-E61 HydrophobicContact CE1-CG 3.78Å
62S76Confident89.8Confident100 Ų10058.2 Ų58.270%0.69928%0.28SS*.THydrogen-bonded Turntrans-77.7-25.4-177.8720000113.6D60D60-S62 PolarHBondContact O-N 3.2Å; D60-S62 VanDerWaalsContact O-N 3.1Å; D60-S62 WeakPolarHBondContact OD1-CB 3.45Å; D60-S62 PolarHBondContact OD1-N 3.26Å; D60-S62 PolarHBondContact OD1-OG 2.98Å
63T75.6Confident89.6Confident57 Ų5767 Ų6735%0.3531%0.313SS..THydrogen-bonded Turntrans-122.13.3-176.357.90000113.9K29 D60 Q65K29-T63 PolarHBondContact NZ-OG1 3.14Å; K29-T63 VanDerWaalsContact NZ-OG1 3.11Å; D60-T63 PolarHBondContact O-N 3.38Å; D60-T63 VanDerWaalsContact O-N 3.14Å; D60-T63 PolarHBondContact OD2-OG1 3.23Å; T63-Q65 WeakPolarHBondContact O-CG 3.31Å; T63-Q65 PolarHBondContact O-N 3.18Å
64D82.4Confident89.2Confident105 Ų10565.3 Ų65.356%0.56131%0.311SS*.THydrogen-bonded Turntrans49.640-175.8-16133000112.7F59 D60F59-D64 WeakPolarHBondContact CZ-OD1 3.37Å; D60-D64 PolarHBondContact O-N 3.38Å
65Q89.5Confident88.7Confident70 Ų7069.1 Ų69.133%0.32733%0.325SS..EExtended strand (participates in β ladder)trans-132.4161.4-174.8-77.3174.3-4.800110.3D60 T63D60-Q65 WeakPolarHBondContact CB-O 3.26Å; D60-Q65 PolarHBondContact N-O 3.19Å; T63-Q65 WeakPolarHBondContact O-CG 3.31Å; T63-Q65 PolarHBondContact O-N 3.18Å
66I91.7Very high88.2Confident22 Ų2264.6 Ų64.611%0.11331%0.308CS..EExtended strand (participates in β ladder)trans-100123.2173.8-61.7175.9000108.7K29 V30 Q32 R57 M58 F59 V68K29-I66 WeakPolarHBondContact CA-O 3.48Å; V30-I66 HydrophobicContact CG2-CB 4Å; V30-I66 HydrophobicContact CG2-CG2 4.46Å; V30-I66 PolarHBondContact N-O 3.3Å; V30-I66 PolarHBondContact O-N 2.96Å; Q32-I66 HydrophobicContact CB-CD1 4.47Å; Q32-I66 HydrophobicContact CG-CD1 4.24Å; Q32-I66 VanDerWaalsContact O-CD1 3.28Å; Q32-I66 WeakPolarHBondContact O-CD1 3.33Å; R57-I66 HydrophobicContact CB-CG2 3.96Å; R57-I66 HydrophobicContact CG-CG2 4.3Å; M58-I66 CarbonylContact O-C 3.52Å; M58-I66 WeakPolarHBondContact O-CA 3.33Å; F59-I66 HydrophobicContact CD2-CG1 4.47Å; I66-V68 HydrophobicContact CG2-CG2 3.82Å
67L93.4Very high87.5Confident5 Ų566.8 Ų66.83%0.02632%0.32CS..EExtended strand (participates in β ladder)trans-78.2128.9163.9-80.6157.6000109.1M7 W14 L27 T28 K29 R57 M58 D60M7-L67 HydrophobicContact CE-CD2 4.05Å; M7-L67 HydrophobicContact SD-CD2 4.19Å; W14-L67 HydrophobicContact CZ3-CB 4.16Å; L27-L67 HydrophobicContact CD1-CD2 4.42Å; L27-L67 HydrophobicContact CD2-CD2 3.98Å; L27-L67 HydrophobicContact CG-CD2 4.08Å; T28-L67 WeakPolarHBondContact O-CA 3.35Å; K29-L67 HydrophobicContact CD-CD2 4.32Å; K29-L67 HydrophobicContact CG-CD2 3.67Å; K29-L67 HydrophobicContact CG-CG 4.28Å; R57-L67 CarbonylContact C-O 3.53Å; R57-L67 WeakPolarHBondContact CA-O 3.23Å; M58-L67 HydrophobicContact CB-CB 4.36Å; M58-L67 PolarHBondContact N-O 3.23Å; M58-L67 PolarHBondContact O-N 3.35Å; D60-L67 HydrophobicContact CB-CD1 4.01Å; D60-L67 HydrophobicContact CB-CG 4.43Å
68V95.3Very high86.5Confident0 Ų064 Ų640%032%0.316CS..EExtended strand (participates in β ladder)trans-124.5122.6-175.4-170.70000109.6L27 T28 V30 I39 V54 G56 R57 I66L27-V68 WeakPolarHBondContact CA-O 3.41Å; T28-V68 HydrophobicContact CG2-CB 3.97Å; T28-V68 PolarHBondContact N-O 2.85Å; T28-V68 PolarHBondContact O-N 3.32Å; V30-V68 HydrophobicContact CG1-CG2 4.28Å; V30-V68 HydrophobicContact CG2-CG2 3.57Å; I39-V68 HydrophobicContact CD1-CG2 4.11Å; I39-V68 HydrophobicContact CG2-CG1 4.29Å; V54-V68 HydrophobicContact CB-CG1 4.3Å; V54-V68 HydrophobicContact CG1-CG1 3.55Å; V54-V68 HydrophobicContact CG2-CG1 3.85Å; G56-V68 WeakPolarHBondContact O-CA 3.5Å; R57-V68 HydrophobicContact CG-CG1 4.25Å; R57-V68 HydrophobicContact CG-CG2 4.37Å; I66-V68 HydrophobicContact CG2-CG2 3.82Å
69L95.4Very high85.4Confident0 Ų063.7 Ų63.70%033%0.329CS..EExtended strand (participates in β ladder)trans-90.5125171.4179.766.8000109.3L11 W14 E18 I20 A25 L27 R55 G56L11-L69 HydrophobicContact CD1-CD1 3.44Å; L11-L69 VanDerWaalsContact CD1-CD1 3.44Å; W14-L69 HydrophobicContact CB-CD2 4.2Å; W14-L69 HydrophobicContact CD2-CB 3.99Å; W14-L69 HydrophobicContact CD2-CD2 4.02Å; W14-L69 HydrophobicContact CE3-CB 4.05Å; W14-L69 HydrophobicContact CG-CD2 3.72Å; W14-L69 HydrophobicContact CH2-CB 4.32Å; W14-L69 HydrophobicContact CZ2-CB 4.29Å; W14-L69 HydrophobicContact CZ3-CB 4.21Å; E18-L69 HydrophobicContact CB-CD2 4.31Å; E18-L69 HydrophobicContact CG-CD2 4.06Å; I20-L69 HydrophobicContact CD1-CD2 3.78Å; I20-L69 HydrophobicContact CD1-CG 4.32Å; A25-L69 HydrophobicContact CB-CD1 4.42Å; L27-L69 HydrophobicContact CD1-CB 4.44Å; R55-L69 PolarHBondContact N-O 2.9Å; G56-L69 PolarHBondContact N-O 3.46Å; G56-L69 PolarHBondContact O-N 3.35Å
70C94.7Very high84.5Confident0 Ų064.6 Ų64.60%034%0.338CS..EExtended strand (participates in β ladder)trans-122.2140.8-179.2-65.80000111.1A25 L26 L43 V52 R53A25-C70 WeakPolarHBondContact CA-O 3.32Å; L26-C70 HydrophobicContact CD1-CB 3.73Å; L26-C70 HydrophobicContact CG-CB 3.82Å; L26-C70 PolarHBondContact N-O 3.48Å; L26-C70 PolarHBondContact O-N 3.24Å; L43-C70 HydrophobicContact CD1-CB 4.3Å; L43-C70 VanDerWaalsContact CD1-SG 3.54Å; V52-C70 HydrophobicContact CG1-CB 3.72Å; R53-C70 CarbonylContact O-C 3.59Å; R53-C70 VanDerWaalsContact O-CA 3.29Å; R53-C70 WeakPolarHBondContact O-CA 3.41Å
71E94.1Very high84.4Confident68 Ų6864.5 Ų64.532%0.31834%0.337SS..EExtended strand (participates in β ladder)trans-104.2127.5172.3179.7179.4-167.600109.6I20 V52 R53 R55I20-E71 HydrophobicContact CG2-CB 4.26Å; I20-E71 HydrophobicContact CG2-CG 4.13Å; V52-E71 CarbonylContact C-O 3.05Å; V52-E71 WeakPolarHBondContact CA-O 3.37Å; R53-E71 PolarHBondContact N-O 3.29Å; R53-E71 PolarHBondContact O-N 2.91Å; R55-E71 HydrophobicContact CG-CB 3.66Å; R55-E71 IonicContact CZ-OE2 2.85Å; R55-E71 IonicContact NE-OE2 2.66Å; R55-E71 PolarHBondContact NE-OE2 3.22Å; R55-E71 IonicContact NH2-OE2 2.83Å
72C92.6Very high84.8Confident3 Ų358.9 Ų58.92%0.0232%0.316CS..EExtended strand (participates in β ladder)trans-104.4142.6-178.6-630000110.3H24 L26 L49 E74 L76H24-C72 PolarHBondContact ND1-O 2.81Å; H24-C72 WeakPolarHBondContact O-CB 3.25Å; H24-C72 PolarHBondContact O-N 2.76Å; L26-C72 VanDerWaalsContact CD2-SG 3.52Å; L49-C72 WeakPolarHBondContact O-CB 3.48Å; C72-E74 VanDerWaalsContact C-N 3.35Å; C72-L76 HydrophobicContact CB-CD1 4.49Å; C72-L76 HydrophobicContact CB-CD2 3.89Å; C72-L76 HydrophobicContact CB-CG 4.43Å
73R89.7Confident85.2Confident183 Ų18359.9 Ų59.969%0.69131%0.314SS*.SBendtrans-66.3-39.8175.8-177.2180-179.7177.5-0.6112H24 R51H24-R73 PolarHBondContact CE1-O 3.36Å; H24-R73 PolarHBondContact ND1-O 2.67Å; R51-R73 HydrophobicContact CB-CB 4.07Å; R51-R73 PolarHBondContact O-N 2.97Å
74E86.3Confident85.9Confident93 Ų9363.3 Ų63.344%0.43533%0.326SS..SBendtrans-88.5154.4-177.9-58-55.1150.400111.2H24 C48 C72H24-E74 PolarHBondContact ND1-O 3.08Å; H24-E74 VanDerWaalsContact ND1-O 3.1Å; C48-E74 WeakPolarHBondContact O-CB 3.45Å; C72-E74 VanDerWaalsContact C-N 3.35Å
75K85.4Confident86.2Confident107 Ų10758.7 Ų58.747%0.46530%0.301SS..PPolyproline II helixtrans-76.3128.4175.8-169-175179.7-158.50109.2S23 H24 E101S23-K75 CarbonylContact O-C 3.51Å; S23-K75 WeakPolarHBondContact O-CA 3.36Å; H24-K75 PolarHBondContact CE1-N 3.06Å; K75-E101 WeakPolarHBondContact CE-OE1 3.18Å; K75-E101 IonicContact NZ-OE1 3.61Å; K75-E101 PolarHBondContact NZ-OE1 3.2Å; K75-E101 IonicContact NZ-OE2 2.72Å
76L83.6Confident86.1Confident5 Ų560.6 Ų60.63%0.02631%0.313CS..PPolyproline II helixtrans-86.1126-172.3-55.3-172000111.2S23 A25 L26 L49 C72 I81 I98S23-L76 PolarHBondContact O-N 3.41Å; A25-L76 WeakPolarHBondContact O-CD1 3.28Å; L26-L76 HydrophobicContact CB-CD1 4.12Å; L49-L76 HydrophobicContact CD2-CD2 3.4Å; L49-L76 VanDerWaalsContact CD2-CD2 3.4Å; C72-L76 HydrophobicContact CB-CD1 4.49Å; C72-L76 HydrophobicContact CB-CD2 3.89Å; C72-L76 HydrophobicContact CB-CG 4.43Å; L76-I81 HydrophobicContact CB-CD1 3.57Å; L76-I81 HydrophobicContact CD1-CD1 4.4Å; L76-I81 HydrophobicContact CD2-CD1 3.78Å; L76-I81 HydrophobicContact CG-CD1 4.1Å; L76-I98 HydrophobicContact CD1-CG2 3.85Å
77T76.6Confident85.8Confident55 Ų5559.7 Ų59.734%0.33731%0.309SS..  trans-118.4141.7173.455.40000109.8A79 I81T77-A79 PolarHBondContact O-N 3.08Å; T77-I81 WeakPolarHBondContact O-CD1 3.29Å
78N71.8Confident84.8Confident90 Ų9064 Ų6448%0.48133%0.331SS..THydrogen-bonded Turntrans-66.2-20.3-175.5-159.8-16.8000113.3D80 I98 A100N78-D80 PolarHBondContact O-N 3.36Å; N78-I98 HydrophobicContact CB-CD1 4.36Å; N78-A100 WeakPolarHBondContact ND2-CB 3.4Å
79A67.8Low83.8Confident91 Ų9168.5 Ų68.575%0.75236%0.355SS*.THydrogen-bonded Turntrans-69.7-28.9-176.100000114.3T77T77-A79 PolarHBondContact O-N 3.08Å
80D69.3Low82.8Confident113 Ų11376.7 Ų76.760%0.60439%0.393SS*.SBendtrans-118.82-165.9-61.7-46.5000114.2C48 N78C48-D80 HydrophobicContact CB-CB 4.45Å; C48-D80 PolarHBondContact SG-O 3.49Å; N78-D80 PolarHBondContact O-N 3.36Å
81I83.5Confident81.7Confident14 Ų1480.2 Ų80.27%0.07242%0.418CS..  trans-106.5122.8-175.4-62.5169.5000109.2L49 L76 T77 V96 I98L49-I81 HydrophobicContact CD2-CD1 3.99Å; L49-I81 HydrophobicContact CD2-CG1 4.13Å; L49-I81 HydrophobicContact CD2-CG2 4.49Å; L76-I81 HydrophobicContact CB-CD1 3.57Å; L76-I81 HydrophobicContact CD1-CD1 4.4Å; L76-I81 HydrophobicContact CD2-CD1 3.78Å; L76-I81 HydrophobicContact CG-CD1 4.1Å; T77-I81 WeakPolarHBondContact O-CD1 3.29Å; I81-V96 HydrophobicContact CG2-CG1 4.01Å; I81-I98 HydrophobicContact CB-CD1 4.06Å; I81-I98 HydrophobicContact CD1-CD1 3.7Å; I81-I98 HydrophobicContact CD1-CG2 4.21Å; I81-I98 HydrophobicContact CG1-CD1 4.42Å; I81-I98 HydrophobicContact CG2-CD1 4.31Å; I81-I98 HydrophobicContact CG2-CG2 4.36Å
82P85.9Confident81.1Confident55 Ų5579.4 Ų79.436%0.35742%0.418SS..  trans-69.6145.117730.3-34.5000110.6I46 E84I46-P82 HydrophobicContact CD1-CG 3.82Å; I46-P82 HydrophobicContact CG1-CG 4.04Å; I46-P82 HydrophobicContact CG2-CG 4.27Å; P82-E84 PolarHBondContact O-N 2.89Å
83N85.1Confident80.9Confident122 Ų12282.7 Ų82.765%0.65244%0.438SS*.SBendtrans-70.2-16.2177.6-65.7-38.9000113.1P95 V96N83-P95 WeakPolarHBondContact O-CA 3.42Å; N83-V96 PolarHBondContact O-N 3.42Å
84E89.8Confident81Confident128 Ų12874.2 Ų74.260%0.59841%0.406SS*.EExtended strand (participates in β ladder)trans-144145.6-177.6-69.4-179.1173.200110.1P82 V93 W94P82-E84 PolarHBondContact O-N 2.89Å; E84-V93 HydrophobicContact CB-CG1 3.64Å; E84-V93 HydrophobicContact CG-CG1 3.99Å; E84-V93 WeakPolarHBondContact OE2-CG1 3.43Å; E84-W94 CarbonylContact C-O 3.3Å; E84-W94 WeakPolarHBondContact CA-O 3.31Å
85V89.2Confident81.2Confident8 Ų871.3 Ų71.35%0.04840%0.395CS..EExtended strand (participates in β ladder)trans-123.1134.1175.366.30000110.4T42 L43 I46 V93 W94 V96T42-V85 HydrophobicContact CG2-CG1 4.38Å; T42-V85 HydrophobicContact CG2-CG2 4.09Å; L43-V85 HydrophobicContact CD2-CG1 4.04Å; I46-V85 HydrophobicContact CD1-CB 4.08Å; I46-V85 HydrophobicContact CD1-CG2 4.06Å; I46-V85 HydrophobicContact CG1-CG2 4.14Å; V85-V93 WeakPolarHBondContact O-CA 3.29Å; V85-W94 HydrophobicContact CG1-CB 3.8Å; V85-W94 HydrophobicContact CG1-CE3 4.22Å; V85-W94 HydrophobicContact CG1-CG 4.49Å; V85-W94 PolarHBondContact N-O 3.32Å; V85-W94 PolarHBondContact O-N 3.24Å; V85-V96 HydrophobicContact CB-CG2 4.34Å; V85-V96 HydrophobicContact CG1-CG2 4.1Å
86L87Confident81.4Confident110 Ų11066.7 Ų66.758%0.57638%0.376SS*.EExtended strand (participates in β ladder)trans-83.8137.6173.7-77.9157000109.8V93L86-V93 HydrophobicContact CD2-CG2 3.57Å; L86-V93 HydrophobicContact CG-CG2 4.37Å
87T84.4Confident81.7Confident4 Ų467.8 Ų67.83%0.02538%0.381CS..  trans-66.9155.9173.953.60000112.1T42 D89 E90 S91 T92 W94T42-T87 HydrophobicContact CG2-CG2 4.31Å; T87-D89 WeakPolarHBondContact CB-OD1 3.34Å; T87-D89 PolarHBondContact O-N 2.84Å; T87-D89 VanDerWaalsContact O-N 3.14Å; T87-D89 PolarHBondContact OG1-OD1 2.92Å; T87-E90 WeakPolarHBondContact O-CA 3.26Å; T87-E90 PolarHBondContact O-N 3.16Å; T87-S91 PolarHBondContact OG1-N 2.74Å; T87-T92 WeakPolarHBondContact CG2-OG1 3.4Å; T87-T92 PolarHBondContact N-O 3.3Å; T87-T92 PolarHBondContact OG1-N 3.01Å; T87-T92 VanDerWaalsContact OG1-N 3.09Å; T87-T92 PolarHBondContact OG1-O 2.93Å; T87-T92 PolarHBondContact OG1-OG1 3.26Å; T87-W94 HydrophobicContact CG2-CD2 3.99Å; T87-W94 HydrophobicContact CG2-CG 4.48Å; T87-W94 HydrophobicContact CG2-CH2 4.12Å; T87-W94 HydrophobicContact CG2-CZ2 3.34Å; T87-W94 VanDerWaalsContact CG2-NE1 3.29Å
88L74.1Confident82.4Confident96 Ų9666.1 Ų66.150%0.50337%0.369SS..THydrogen-bonded Turntrans-60-22.5-178.7-77.1146.8000114.1E41 T45E41-L88 HydrophobicContact CB-CD1 4.08Å; E41-L88 HydrophobicContact CG-CD1 3.7Å; T45-L88 HydrophobicContact CG2-CD2 4.26Å
89D74.4Confident83Confident94 Ų9462.9 Ų62.950%0.50335%0.353SS..THydrogen-bonded Turntrans-93.96.2175.163.8-25.6000113.1T87 S91T87-D89 WeakPolarHBondContact CB-OD1 3.34Å; T87-D89 PolarHBondContact O-N 2.84Å; T87-D89 VanDerWaalsContact O-N 3.14Å; T87-D89 PolarHBondContact OG1-OD1 2.92Å; D89-S91 PolarHBondContact O-N 3.18Å; D89-S91 PolarHBondContact OD1-OG 3.48Å; D89-S91 VanDerWaalsContact OD1-OG 3.14Å; D89-S91 WeakPolarHBondContact OD2-CB 3.42Å; D89-S91 PolarHBondContact OD2-OG 2.84Å
90E73.1Confident82.9Confident171 Ų17161.1 Ų61.180%0.79934%0.338SS*.SBendtrans54.719.9-179.7-59.2-175.5171.800114.5T87T87-E90 WeakPolarHBondContact O-CA 3.26Å; T87-E90 PolarHBondContact O-N 3.16Å
91S71.1Confident82.4Confident75 Ų7560.5 Ų60.552%0.52433%0.332SS..SBendtrans-94.7-28.7-170.973.20000113.6T87 D89T87-S91 PolarHBondContact OG1-N 2.74Å; D89-S91 PolarHBondContact O-N 3.18Å; D89-S91 PolarHBondContact OD1-OG 3.48Å; D89-S91 VanDerWaalsContact OD1-OG 3.14Å; D89-S91 WeakPolarHBondContact OD2-CB 3.42Å; D89-S91 PolarHBondContact OD2-OG 2.84Å
92T81.7Confident80.8Confident51 Ų5164.7 Ų64.731%0.31336%0.362SS..  trans-138.6151.1-176.261.60000112.3T87 W94T87-T92 WeakPolarHBondContact CG2-OG1 3.4Å; T87-T92 PolarHBondContact N-O 3.3Å; T87-T92 PolarHBondContact OG1-N 3.01Å; T87-T92 VanDerWaalsContact OG1-N 3.09Å; T87-T92 PolarHBondContact OG1-O 2.93Å; T87-T92 PolarHBondContact OG1-OG1 3.26Å; T92-W94 PolarHBondContact OG1-NE1 3.39Å; T92-W94 VanDerWaalsContact OG1-NE1 3.16Å
93V88.4Confident78.8Confident72 Ų7267 Ų6744%0.43638%0.379SS..EExtended strand (participates in β ladder)trans-112.5127.7178-178.80000108.3E84 V85 L86E84-V93 HydrophobicContact CB-CG1 3.64Å; E84-V93 HydrophobicContact CG-CG1 3.99Å; E84-V93 WeakPolarHBondContact OE2-CG1 3.43Å; V85-V93 WeakPolarHBondContact O-CA 3.29Å; L86-V93 HydrophobicContact CD2-CG2 3.57Å; L86-V93 HydrophobicContact CG-CG2 4.37Å
94W92Very high77Confident4 Ų465.4 Ų65.42%0.01538%0.378CS..EExtended strand (participates in β ladder)trans-110125.8178.7-54.5-13.3000110.2V30 T34 I39 T42 E84 V85 T87 T92V30-W94 HydrophobicContact CB-CD2 4.35Å; V30-W94 HydrophobicContact CB-CZ2 4.35Å; V30-W94 HydrophobicContact CG1-CD2 3.57Å; V30-W94 HydrophobicContact CG1-CE3 3.61Å; V30-W94 HydrophobicContact CG1-CG 4.09Å; V30-W94 HydrophobicContact CG1-CH2 4.19Å; V30-W94 HydrophobicContact CG1-CZ2 4.15Å; V30-W94 HydrophobicContact CG1-CZ3 3.93Å; T34-W94 HydrophobicContact CG2-CH2 3.67Å; T34-W94 HydrophobicContact CG2-CZ2 3.62Å; I39-W94 HydrophobicContact CB-CH2 4.41Å; I39-W94 HydrophobicContact CB-CZ3 4.24Å; I39-W94 HydrophobicContact CG1-CH2 4Å; I39-W94 HydrophobicContact CG1-CZ3 4.19Å; I39-W94 HydrophobicContact CG2-CZ3 4.16Å; T42-W94 HydrophobicContact CG2-CE3 3.99Å; T42-W94 HydrophobicContact CG2-CH2 4.14Å; T42-W94 HydrophobicContact CG2-CZ3 3.7Å; E84-W94 CarbonylContact C-O 3.3Å; E84-W94 WeakPolarHBondContact CA-O 3.31Å; V85-W94 HydrophobicContact CG1-CB 3.8Å; V85-W94 HydrophobicContact CG1-CE3 4.22Å; V85-W94 HydrophobicContact CG1-CG 4.49Å; V85-W94 PolarHBondContact N-O 3.32Å; V85-W94 PolarHBondContact O-N 3.24Å; T87-W94 HydrophobicContact CG2-CD2 3.99Å; T87-W94 HydrophobicContact CG2-CG 4.48Å; T87-W94 HydrophobicContact CG2-CH2 4.12Å; T87-W94 HydrophobicContact CG2-CZ2 3.34Å; T87-W94 VanDerWaalsContact CG2-NE1 3.29Å; T92-W94 PolarHBondContact OG1-NE1 3.39Å; T92-W94 VanDerWaalsContact OG1-NE1 3.16Å
95P90.9Very high75.1Confident33 Ų3362.8 Ų62.821%0.21438%0.378CS..EExtended strand (participates in β ladder)trans-70.6145.4175.230-34.7000110.7T28 K29 N83 F97T28-P95 VanDerWaalsContact CA-O 3.28Å; T28-P95 WeakPolarHBondContact CA-O 3.28Å; T28-P95 VanDerWaalsContact CB-O 3.3Å; T28-P95 WeakPolarHBondContact CB-O 3.46Å; T28-P95 PolarHBondContact OG1-O 2.89Å; K29-P95 HydrophobicContact CB-CG 3.91Å; K29-P95 HydrophobicContact CD-CG 4.49Å; K29-P95 HydrophobicContact CG-CG 4.29Å; N83-P95 WeakPolarHBondContact O-CA 3.42Å; P95-F97 HydrophobicContact CB-CE2 3.85Å; P95-F97 HydrophobicContact CB-CZ 3.78Å; P95-F97 HydrophobicContact CG-CE2 3.89Å; P95-F97 HydrophobicContact CG-CZ 4.07Å
96V90.6Very high73.2Confident9 Ų968.2 Ų68.26%0.05541%0.407CS..EExtended strand (participates in β ladder)trans-118.1125.3178.9-179.40000108.8L26 L43 I46 I81 N83 V85 I98L26-V96 HydrophobicContact CB-CG1 4.48Å; L43-V96 HydrophobicContact CD2-CG2 4.41Å; I46-V96 HydrophobicContact CD1-CG2 4.42Å; I81-V96 HydrophobicContact CG2-CG1 4.01Å; N83-V96 PolarHBondContact O-N 3.42Å; V85-V96 HydrophobicContact CB-CG2 4.34Å; V85-V96 HydrophobicContact CG1-CG2 4.1Å; V96-I98 HydrophobicContact CG1-CG2 4.4Å
97F89.9Confident71.5Confident29 Ų2969.9 Ų69.913%0.12741%0.412CS..EExtended strand (participates in β ladder)trans-118.2133.3177.5-49-85.6000109.9T4 M7 L26 L27 K29 P95T4-F97 HydrophobicContact CG2-CD1 4.19Å; T4-F97 HydrophobicContact CG2-CE1 4.42Å; M7-F97 HydrophobicContact CB-CD1 3.76Å; M7-F97 HydrophobicContact CB-CD2 4.2Å; M7-F97 HydrophobicContact CB-CE1 3.94Å; M7-F97 HydrophobicContact CB-CE2 4.37Å; M7-F97 HydrophobicContact CB-CG 3.91Å; M7-F97 HydrophobicContact CB-CZ 4.24Å; M7-F97 HydrophobicContact CG-CD1 4.32Å; M7-F97 HydrophobicContact CG-CD2 4.48Å; M7-F97 HydrophobicContact CG-CE1 3.99Å; M7-F97 HydrophobicContact CG-CE2 4.17Å; M7-F97 HydrophobicContact CG-CZ 3.92Å; L26-F97 WeakPolarHBondContact CA-O 3.45Å; L27-F97 HydrophobicContact CB-CB 4.21Å; L27-F97 HydrophobicContact CB-CD2 4.42Å; L27-F97 PolarHBondContact N-O 3.42Å; L27-F97 WeakPolarHBondContact O-CD2 3.38Å; L27-F97 PolarHBondContact O-N 3.5Å; K29-F97 HydrophobicContact CG-CE2 4.47Å; P95-F97 HydrophobicContact CB-CE2 3.85Å; P95-F97 HydrophobicContact CB-CZ 3.78Å; P95-F97 HydrophobicContact CG-CE2 3.89Å; P95-F97 HydrophobicContact CG-CZ 4.07Å
98I89.4Confident70.2Confident19 Ų1973.7 Ų73.710%0.09743%0.432CS..EExtended strand (participates in β ladder)trans-133.5161.8178.460175.4000109.9L26 L76 N78 I81 V96 A100L26-I98 HydrophobicContact CB-CG2 3.93Å; L76-I98 HydrophobicContact CD1-CG2 3.85Å; N78-I98 HydrophobicContact CB-CD1 4.36Å; I81-I98 HydrophobicContact CB-CD1 4.06Å; I81-I98 HydrophobicContact CD1-CD1 3.7Å; I81-I98 HydrophobicContact CD1-CG2 4.21Å; I81-I98 HydrophobicContact CG1-CD1 4.42Å; I81-I98 HydrophobicContact CG2-CD1 4.31Å; I81-I98 HydrophobicContact CG2-CG2 4.36Å; V96-I98 HydrophobicContact CG1-CG2 4.4Å; I98-A100 PolarHBondContact O-N 2.97Å
99V84.9Confident69.8Low22 Ų2275.2 Ų75.213%0.13344%0.435CS..  trans-82.7114170.6-178.30000108.7V8 L11 K12 E22 E101V8-V99 HydrophobicContact CG1-CG2 4.43Å; L11-V99 HydrophobicContact CD2-CG2 3.85Å; L11-V99 HydrophobicContact CG-CG2 4.21Å; K12-V99 VanDerWaalsContact CE-CG1 3.44Å; K12-V99 HydrophobicContact CG-CG2 3.84Å; E22-V99 HydrophobicContact CB-CB 4.45Å; E22-V99 HydrophobicContact CB-CG2 4.11Å; V99-E101 PolarHBondContact O-N 2.84Å
100A65.3Low69.5Low54 Ų5473.3 Ų73.345%0.44643%0.429SS..  trans-67128175.900000110.7N78 I98 S102N78-A100 WeakPolarHBondContact ND2-CB 3.4Å; I98-A100 PolarHBondContact O-N 2.97Å; A100-S102 PolarHBondContact O-N 3.35Å
101E59.2Low69.5Low101 Ų10169.4 Ų69.447%0.47242%0.416SS..  trans-71.5110168.2-68.5-166.5142.300109.3K75 V99 S103K75-E101 WeakPolarHBondContact CE-OE1 3.18Å; K75-E101 IonicContact NZ-OE1 3.61Å; K75-E101 PolarHBondContact NZ-OE1 3.2Å; K75-E101 IonicContact NZ-OE2 2.72Å; V99-E101 PolarHBondContact O-N 2.84Å; E101-S103 PolarHBondContact O-N 2.87Å
102S49.3Very low69.8Low102 Ų10271.7 Ų71.771%0.71342%0.417SS*.  trans-66.1119154.849.50000107A100 S104A100-S102 PolarHBondContact O-N 3.35Å; S102-S104 PolarHBondContact O-N 3.31Å
103S44.5Very low69.5Low102 Ų10272.9 Ų72.971%0.71342%0.421SS*.  trans-51.5107.2177.952.40000110.7E101 A105E101-S103 PolarHBondContact O-N 2.87Å; S103-A105 PolarHBondContact O-N 3.24Å
104S48.7Very low68.9Low89 Ų8973.6 Ų73.662%0.62242%0.422SS*.THydrogen-bonded Turntrans-69.76.8-176.762.50000114.4S102 D106 D108S102-S104 PolarHBondContact O-N 3.31Å; S104-D106 VanDerWaalsContact C-N 3.35Å; S104-D108 WeakPolarHBondContact O-CB 3.48Å; S104-D108 PolarHBondContact O-N 2.76Å
105A48.8Very low68.4Low74 Ų7477.4 Ų77.461%0.61245%0.446SS*.Hα-helixtrans-71-30.8179.900000112.5S103 F109S103-A105 PolarHBondContact O-N 3.24Å; A105-F109 PolarHBondContact O-N 3.48Å
106D48.9Very low67.9Low122 Ų12281 Ų8165%0.65246%0.463SS*.Hα-helixtrans-81.4-33.6-174.8-140.318.8000112.3S104 S110S104-D106 VanDerWaalsContact C-N 3.35Å; D106-S110 WeakPolarHBondContact O-CB 3.49Å; D106-S110 PolarHBondContact O-N 2.96Å; D106-S110 PolarHBondContact O-OG 2.95Å
107E52.1Low67.4Low145 Ų14581.5 Ų81.568%0.67847%0.465SS*.Hα-helixtrans-72-41.6172.5-69.7-166.616000111.7F109 S110 V111E107-F109 PolarHBondContact O-N 3.38Å; E107-S110 PolarHBondContact O-N 2.89Å; E107-V111 WeakPolarHBondContact O-CB 3.3Å; E107-V111 VanDerWaalsContact O-CG2 3.25Å; E107-V111 WeakPolarHBondContact O-CG2 3.37Å; E107-V111 PolarHBondContact O-N 3.14Å
108D56.9Low66.8Low84 Ų8487.7 Ų87.745%0.44950%0.495SS..Hα-helixtrans-69.9-33-177-161.237.8000112.2S104 K112S104-D108 WeakPolarHBondContact O-CB 3.48Å; S104-D108 PolarHBondContact O-N 2.76Å; D108-K112 WeakPolarHBondContact O-CB 3.12Å; D108-K112 WeakPolarHBondContact O-CD 3.45Å; D108-K112 VanDerWaalsContact O-CG 3.23Å; D108-K112 WeakPolarHBondContact O-CG 3.47Å; D108-K112 PolarHBondContact O-N 3.31Å; D108-K112 VanDerWaalsContact O-N 3.15Å; D108-K112 IonicContact OD1-NZ 3.67Å; D108-K112 IonicContact OD2-NZ 2.69Å; D108-K112 PolarHBondContact OD2-NZ 3.06Å
109F65.4Low66.5Low128 Ų12890.7 Ų90.756%0.56152%0.522SS*.Hα-helixtrans-69.3-45.6170.6-179.4-102000111.9A105 E107 V111 K112 L113A105-F109 PolarHBondContact O-N 3.48Å; E107-F109 PolarHBondContact O-N 3.38Å; F109-V111 VanDerWaalsContact C-N 3.31Å; F109-V111 PolarHBondContact O-N 3.17Å; F109-K112 PolarHBondContact O-N 3.27Å; F109-L113 HydrophobicContact CE1-CD2 4.01Å; F109-L113 HydrophobicContact CZ-CD2 4.45Å; F109-L113 VanDerWaalsContact O-CB 3.26Å; F109-L113 WeakPolarHBondContact O-CB 3.4Å; F109-L113 PolarHBondContact O-N 3.17Å
110S68Low66.3Low53 Ų5396.2 Ų96.237%0.37155%0.547SS..Hα-helixtrans-62.8-38-179.8-640000112.3D106 E107 N114D106-S110 WeakPolarHBondContact O-CB 3.49Å; D106-S110 PolarHBondContact O-N 2.96Å; D106-S110 PolarHBondContact O-OG 2.95Å; E107-S110 PolarHBondContact O-N 2.89Å; S110-N114 WeakPolarHBondContact O-CB 3.38Å; S110-N114 PolarHBondContact O-N 3.01Å; S110-N114 PolarHBondContact O-ND2 3.05Å
111V74.1Confident67Low89 Ų8996.9 Ų96.954%0.53956%0.559SS.*Hα-helixtrans-69.1-44.2175.4172.80000111.1E107 F109 N114 T115E107-V111 WeakPolarHBondContact O-CB 3.3Å; E107-V111 VanDerWaalsContact O-CG2 3.25Å; E107-V111 WeakPolarHBondContact O-CG2 3.37Å; E107-V111 PolarHBondContact O-N 3.14Å; F109-V111 VanDerWaalsContact C-N 3.31Å; F109-V111 PolarHBondContact O-N 3.17Å; V111-N114 PolarHBondContact O-N 3.16Å; V111-T115 WeakPolarHBondContact O-CB 3.46Å; V111-T115 PolarHBondContact O-N 2.66Å; V111-T115 PolarHBondContact O-OG1 3.08Å
112K75.9Confident67.9Low124 Ų12497.1 Ų97.154%0.53956%0.558SS.*Hα-helixtrans-64.6-40.9176.7-75.5169-175.9159.80112.4D108 F109 T115 L116D108-K112 WeakPolarHBondContact O-CB 3.12Å; D108-K112 WeakPolarHBondContact O-CD 3.45Å; D108-K112 VanDerWaalsContact O-CG 3.23Å; D108-K112 WeakPolarHBondContact O-CG 3.47Å; D108-K112 PolarHBondContact O-N 3.31Å; D108-K112 VanDerWaalsContact O-N 3.15Å; D108-K112 IonicContact OD1-NZ 3.67Å; D108-K112 IonicContact OD2-NZ 2.69Å; D108-K112 PolarHBondContact OD2-NZ 3.06Å; F109-K112 PolarHBondContact O-N 3.27Å; K112-T115 PolarHBondContact O-N 3.46Å; K112-L116 WeakPolarHBondContact O-CB 3.3Å; K112-L116 PolarHBondContact O-N 3.34Å
113L76.4Confident69.3Low76 Ų7695.2 Ų95.240%0.39854%0.542SS..Hα-helixtrans-63.7-48.6177.2-178.663.8000110.9F109 T115 L116 L117F109-L113 HydrophobicContact CE1-CD2 4.01Å; F109-L113 HydrophobicContact CZ-CD2 4.45Å; F109-L113 VanDerWaalsContact O-CB 3.26Å; F109-L113 WeakPolarHBondContact O-CB 3.4Å; F109-L113 PolarHBondContact O-N 3.17Å; L113-T115 VanDerWaalsContact C-N 3.32Å; L113-T115 PolarHBondContact O-N 3.34Å; L113-L116 PolarHBondContact O-N 3.01Å; L113-L117 HydrophobicContact CD1-CD1 4.39Å; L113-L117 HydrophobicContact CD1-CG 4.45Å; L113-L117 HydrophobicContact CG-CD1 4.11Å; L113-L117 WeakPolarHBondContact O-CB 3.37Å; L113-L117 VanDerWaalsContact O-CG 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.46Å; L113-L117 PolarHBondContact O-N 2.77Å
114N75.9Confident70.5Confident86 Ų8693.3 Ų93.346%0.4653%0.533SS..Hα-helixtrans-63.6-37.4177-79.9-49.7000112.5S110 V111 L117 Q118S110-N114 WeakPolarHBondContact O-CB 3.38Å; S110-N114 PolarHBondContact O-N 3.01Å; S110-N114 PolarHBondContact O-ND2 3.05Å; V111-N114 PolarHBondContact O-N 3.16Å; N114-L117 PolarHBondContact O-N 3.3Å; N114-Q118 WeakPolarHBondContact O-CG 3.41Å; N114-Q118 PolarHBondContact O-N 2.72Å
115T81Confident71.4Confident85 Ų8595.8 Ų95.852%0.52153%0.534SS..Hα-helixtrans-64.9-41.4176.1-55.30000111.5V111 K112 L113 Q118 A119V111-T115 WeakPolarHBondContact O-CB 3.46Å; V111-T115 PolarHBondContact O-N 2.66Å; V111-T115 PolarHBondContact O-OG1 3.08Å; K112-T115 PolarHBondContact O-N 3.46Å; L113-T115 VanDerWaalsContact C-N 3.32Å; L113-T115 PolarHBondContact O-N 3.34Å; T115-Q118 PolarHBondContact O-N 3.36Å; T115-A119 WeakPolarHBondContact O-CB 3.21Å; T115-A119 PolarHBondContact O-N 3.15Å
116L80Confident72.5Confident109 Ų10995.8 Ų95.857%0.57152%0.524SS*.Hα-helixtrans-69.1-40177.9-171.8138.2000112K112 L113 A119 E120K112-L116 WeakPolarHBondContact O-CB 3.3Å; K112-L116 PolarHBondContact O-N 3.34Å; L113-L116 PolarHBondContact O-N 3.01Å; L116-A119 PolarHBondContact O-N 3.18Å; L116-E120 WeakPolarHBondContact O-CG 3.44Å; L116-E120 PolarHBondContact O-N 3.22Å; L116-E120 VanDerWaalsContact O-N 3.11Å
117L81.2Confident73.3Confident18 Ų1892.6 Ų92.69%0.09451%0.509CS..Hα-helixtrans-61.4-43.9174.9-71.4173.6000111.4L113 N114 E120 G121 K122 V127L113-L117 HydrophobicContact CD1-CD1 4.39Å; L113-L117 HydrophobicContact CD1-CG 4.45Å; L113-L117 HydrophobicContact CG-CD1 4.11Å; L113-L117 WeakPolarHBondContact O-CB 3.37Å; L113-L117 VanDerWaalsContact O-CG 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.46Å; L113-L117 PolarHBondContact O-N 2.77Å; N114-L117 PolarHBondContact O-N 3.3Å; L117-E120 PolarHBondContact O-N 3.04Å; L117-G121 PolarHBondContact O-N 3.09Å; L117-K122 CarbonylContact C-O 3.53Å; L117-K122 VanDerWaalsContact C-O 3.23Å; L117-K122 WeakPolarHBondContact CB-O 2.79Å; L117-K122 HydrophobicContact CD2-CB 4.34Å; L117-K122 PolarHBondContact O-N 3.43Å; L117-V127 HydrophobicContact CD1-CG2 4.37Å; L117-V127 HydrophobicContact CD2-CG2 3.49Å; L117-V127 VanDerWaalsContact CD2-CG2 3.49Å
118Q76.9Confident73.8Confident160 Ų16091.6 Ų91.675%0.74850%0.504SS*.Hα-helixtrans-65-39.3175.4-74.2-173.4-2.100113.2N114 T115 E120 G121N114-Q118 WeakPolarHBondContact O-CG 3.41Å; N114-Q118 PolarHBondContact O-N 2.72Å; T115-Q118 PolarHBondContact O-N 3.36Å; Q118-E120 VanDerWaalsContact C-N 3.29Å; Q118-E120 PolarHBondContact O-N 3.22Å; Q118-G121 PolarHBondContact O-N 2.89Å; Q118-G121 VanDerWaalsContact O-N 3.15Å
119A83.6Confident74.1Confident81 Ų8190.2 Ų90.267%0.66951%0.505SS*.Hα-helixtrans-64.4-34.2178.100000112.7T115 L116 G121T115-A119 WeakPolarHBondContact O-CB 3.21Å; T115-A119 PolarHBondContact O-N 3.15Å; L116-A119 PolarHBondContact O-N 3.18Å; A119-G121 VanDerWaalsContact C-N 3.31Å
120E81.4Confident74Confident139 Ų13990.3 Ų90.365%0.6551%0.51SS*.THydrogen-bonded Turntrans-87.73.3176.9-65.9-66.3137.700113.1L116 L117 Q118 K122L116-E120 WeakPolarHBondContact O-CG 3.44Å; L116-E120 PolarHBondContact O-N 3.22Å; L116-E120 VanDerWaalsContact O-N 3.11Å; L117-E120 PolarHBondContact O-N 3.04Å; Q118-E120 VanDerWaalsContact C-N 3.29Å; Q118-E120 PolarHBondContact O-N 3.22Å; E120-K122 VanDerWaalsContact C-N 3.26Å; E120-K122 PolarHBondContact O-N 3.43Å
121G78.8Confident73.3Confident68 Ų6894.6 Ų94.670%0.70153%0.528SS*.THydrogen-bonded Turntrans66.124.5-179.600000114.3L117 Q118 A119L117-G121 PolarHBondContact O-N 3.09Å; Q118-G121 PolarHBondContact O-N 2.89Å; Q118-G121 VanDerWaalsContact O-N 3.15Å; A119-G121 VanDerWaalsContact C-N 3.31Å
122K78.1Confident72.2Confident105 Ų10595 Ų9546%0.45753%0.531SS..  trans-110.9149.2-178.7-66.3-174.1-179.3176.60111.3L117 E120L117-K122 CarbonylContact C-O 3.53Å; L117-K122 VanDerWaalsContact C-O 3.23Å; L117-K122 WeakPolarHBondContact CB-O 2.79Å; L117-K122 HydrophobicContact CD2-CB 4.34Å; L117-K122 PolarHBondContact O-N 3.43Å; E120-K122 VanDerWaalsContact C-N 3.26Å; E120-K122 PolarHBondContact O-N 3.43Å
123T78.6Confident70.7Confident62 Ų6291.9 Ų91.938%0.3853%0.534SS..  trans-102.3163.3177.163.30000111.4E125 D126 V127T123-E125 WeakPolarHBondContact CB-OE2 3.01Å; T123-E125 PolarHBondContact O-N 3.42Å; T123-E125 PolarHBondContact OG1-OE2 3.13Å; T123-D126 PolarHBondContact N-OD2 3.31Å; T123-D126 WeakPolarHBondContact O-CB 3.44Å; T123-D126 PolarHBondContact O-N 3.26Å; T123-D126 VanDerWaalsContact O-N 3.1Å; T123-D126 PolarHBondContact OG1-N 2.86Å; T123-D126 PolarHBondContact OG1-OD2 3.42Å; T123-V127 PolarHBondContact O-N 3.13Å
124A69.8Low68.9Low62 Ų6293 Ų9351%0.51255%0.548SS..Hα-helixtrans-61.3-29172.700000111.6V127 H128A124-V127 PolarHBondContact O-N 3.3Å; A124-H128 PolarHBondContact O-N 2.87Å
125E68.7Low67.7Low141 Ų14198.2 Ų98.266%0.65957%0.57SS**Hα-helixtrans-67.5-34.8172.7-65.8102.317800112.8T123 V127 H128 A129T123-E125 WeakPolarHBondContact CB-OE2 3.01Å; T123-E125 PolarHBondContact O-N 3.42Å; T123-E125 PolarHBondContact OG1-OE2 3.13Å; E125-V127 VanDerWaalsContact C-N 3.33Å; E125-V127 PolarHBondContact O-N 2.91Å; E125-H128 PolarHBondContact O-N 3.1Å; E125-A129 WeakPolarHBondContact O-CB 3.4Å; E125-A129 PolarHBondContact O-N 2.86Å
126D70.8Confident65.8Low75 Ų7599 Ų9940%0.40158%0.577SS.*Hα-helixtrans-67.2-34.9176.7-62.6-47.5000112.1T123 L130T123-D126 PolarHBondContact N-OD2 3.31Å; T123-D126 WeakPolarHBondContact O-CB 3.44Å; T123-D126 PolarHBondContact O-N 3.26Å; T123-D126 VanDerWaalsContact O-N 3.1Å; T123-D126 PolarHBondContact OG1-N 2.86Å; T123-D126 PolarHBondContact OG1-OD2 3.42Å; D126-L130 WeakPolarHBondContact O-CG 3.39Å; D126-L130 PolarHBondContact O-N 2.94Å; D126-L130 VanDerWaalsContact O-N 3.08Å
127V66.5Low64.7Low55 Ų55100.5 Ų100.533%0.33359%0.59SS.*Hα-helixtrans-68.3-42.7172.5179.40000110.3L117 T123 A124 E125 A129 L130 L131L117-V127 HydrophobicContact CD1-CG2 4.37Å; L117-V127 HydrophobicContact CD2-CG2 3.49Å; L117-V127 VanDerWaalsContact CD2-CG2 3.49Å; T123-V127 PolarHBondContact O-N 3.13Å; A124-V127 PolarHBondContact O-N 3.3Å; E125-V127 VanDerWaalsContact C-N 3.33Å; E125-V127 PolarHBondContact O-N 2.91Å; V127-A129 VanDerWaalsContact C-N 3.31Å; V127-A129 PolarHBondContact O-N 3.17Å; V127-L130 PolarHBondContact O-N 3.3Å; V127-L131 HydrophobicContact CG1-CD1 4.16Å; V127-L131 WeakPolarHBondContact O-CG 3.39Å; V127-L131 PolarHBondContact O-N 3.34Å; V127-L131 VanDerWaalsContact O-N 3.09Å
128H61.7Low63.1Low123 Ų123102.4 Ų102.457%0.56960%0.603SS**Hα-helixtrans-62.6-39.4176.1-166.1-83.5000111.6A124 E125 L131 T132A124-H128 PolarHBondContact O-N 2.87Å; E125-H128 PolarHBondContact O-N 3.1Å; H128-L131 PolarHBondContact O-N 3.39Å; H128-T132 PolarHBondContact O-N 3.4Å; H128-T132 PolarHBondContact O-OG1 2.77Å
129A63.8Low62.5Low56 Ų5697.2 Ų97.246%0.46359%0.585SS.*Hα-helixtrans-67.1-34.9176.400000113.1E125 V127 L131 T132 G133E125-A129 WeakPolarHBondContact O-CB 3.4Å; E125-A129 PolarHBondContact O-N 2.86Å; V127-A129 VanDerWaalsContact C-N 3.31Å; V127-A129 PolarHBondContact O-N 3.17Å; A129-L131 VanDerWaalsContact C-N 3.31Å; A129-T132 PolarHBondContact O-N 2.79Å; A129-G133 WeakPolarHBondContact O-CA 3.29Å; A129-G133 PolarHBondContact O-N 3.05Å
130L62.2Low61.6Low130 Ų13098.3 Ų98.368%0.68159%0.585SS**Hα-helixtrans-67.3-31.7171.4-76.6164.4000112.7D126 V127D126-L130 WeakPolarHBondContact O-CG 3.39Å; D126-L130 PolarHBondContact O-N 2.94Å; D126-L130 VanDerWaalsContact O-N 3.08Å; V127-L130 PolarHBondContact O-N 3.3Å
131L54.5Low60.6Low143 Ų14395.9 Ų95.975%0.74958%0.579SS**Hα-helixtrans-80.6-23.3176.9-69.1167.5000112.9V127 H128 A129V127-L131 HydrophobicContact CG1-CD1 4.16Å; V127-L131 WeakPolarHBondContact O-CG 3.39Å; V127-L131 PolarHBondContact O-N 3.34Å; V127-L131 VanDerWaalsContact O-N 3.09Å; H128-L131 PolarHBondContact O-N 3.39Å; A129-L131 VanDerWaalsContact C-N 3.31Å
132T51.2Low59.8Low98 Ų9897.4 Ų97.460%0.60157%0.569SS**Hα-helixtrans-108.20-177.244.70000114.4H128 A129H128-T132 PolarHBondContact O-N 3.4Å; H128-T132 PolarHBondContact O-OG1 2.77Å; A129-T132 PolarHBondContact O-N 2.79Å
133G43.8Very low59.2Low58 Ų5895 Ų9560%0.59856%0.564SS**SBendtrans-11172.9-173.800000115.5A129A129-G133 WeakPolarHBondContact O-CA 3.29Å; A129-G133 PolarHBondContact O-N 3.05Å
134S39.5Very low58.8Low100 Ų10097.5 Ų97.570%0.69958%0.575SS**  trans173.4116.7144.8-1800000107P136S134-P136 WeakPolarHBondContact O-CD 3.36Å
135E49Very low58.9Low195 Ų19599.7 Ų99.791%0.91158%0.577SS**  trans-63.7127.8161.5-78.1-15015000109.2
136P42.8Very low59.1Low102 Ų102100.1 Ų100.166%0.66257%0.573SS**  trans-106.8138.4155.316.75.4000108.7S134 P138S134-P136 WeakPolarHBondContact O-CD 3.36Å; P136-P138 VanDerWaalsContact O-N 3.16Å
137V55.8Low59.3Low140 Ų14099.1 Ų99.185%0.84858%0.575SS**  trans-46122.8163175.70000108.2S139V137-S139 PolarHBondContact O-N 3.47Å
138P47.2Very low59.5Low57 Ų57100.2 Ų100.237%0.3758%0.582SS.*  trans-66127.6-173.126-32.7000108.5P136 E142 S143P136-P138 VanDerWaalsContact O-N 3.16Å; P138-E142 HydrophobicContact CB-CB 4.48Å; P138-S143 WeakPolarHBondContact CB-OG 3.47Å; P138-S143 WeakPolarHBondContact CG-OG 3.44Å
139S65.6Low59.8Low52 Ų5297 Ų9736%0.36457%0.573SS.*  trans-49.5142.6167.51570000109.1V137 T141 E142 S143V137-S139 PolarHBondContact O-N 3.47Å; S139-T141 PolarHBondContact O-N 3.12Å; S139-T141 PolarHBondContact OG-N 2.89Å; S139-T141 PolarHBondContact OG-OG1 2.8Å; S139-E142 PolarHBondContact O-N 2.81Å; S139-S143 PolarHBondContact O-N 2.97Å
140P63.2Low60.2Low104 Ų10497.8 Ų97.868%0.67557%0.57SS**Hα-helixtrans-50.6-30.3175.9-25.533000112.4L144P140-L144 WeakPolarHBondContact O-CB 3.27Å; P140-L144 WeakPolarHBondContact O-CD1 3.36Å; P140-L144 VanDerWaalsContact O-CG 3.27Å; P140-L144 WeakPolarHBondContact O-CG 3.42Å; P140-L144 PolarHBondContact O-N 3.16Å; P140-L144 VanDerWaalsContact O-N 3.07Å
141T62.2Low60.6Low87 Ų8797.5 Ų97.553%0.53457%0.568SS.*Hα-helixtrans-72.9-38.4177.2-40.50000112.4S139 L144 I145S139-T141 PolarHBondContact O-N 3.12Å; S139-T141 PolarHBondContact OG-N 2.89Å; S139-T141 PolarHBondContact OG-OG1 2.8Å; T141-L144 PolarHBondContact O-N 3.16Å; T141-I145 HydrophobicContact CG2-CD1 4.12Å; T141-I145 WeakPolarHBondContact O-CB 3.45Å; T141-I145 WeakPolarHBondContact O-CD1 3.47Å; T141-I145 WeakPolarHBondContact O-CG1 3.33Å; T141-I145 PolarHBondContact O-N 3.18Å
142E59.9Low61.2Low101 Ų10196 Ų9647%0.47256%0.56SS.*Hα-helixtrans-72.2-36.5175.4-84.8-172.8143.300112.5P138 S139 L144 I145 R146P138-E142 HydrophobicContact CB-CB 4.48Å; S139-E142 PolarHBondContact O-N 2.81Å; E142-L144 VanDerWaalsContact C-N 3.29Å; E142-L144 PolarHBondContact O-N 2.94Å; E142-I145 PolarHBondContact O-N 2.77Å; E142-R146 VanDerWaalsContact O-CB 3.24Å; E142-R146 WeakPolarHBondContact O-CB 3.48Å; E142-R146 PolarHBondContact O-N 2.85Å
143S67.4Low61.6Low53 Ų5396.3 Ų96.337%0.37156%0.558SS.*Hα-helixtrans-65.4-36.1173.1-65.30000111.4P138 S139 A147P138-S143 WeakPolarHBondContact CB-OG 3.47Å; P138-S143 WeakPolarHBondContact CG-OG 3.44Å; S139-S143 PolarHBondContact O-N 2.97Å; S143-A147 WeakPolarHBondContact O-CB 3.49Å; S143-A147 PolarHBondContact O-N 3.45Å
144L68.9Low62.3Low116 Ų116101 Ų10161%0.60756%0.562SS**Hα-helixtrans-69.1-44.6172.2-79.3167000112P140 T141 E142 R146 A147 V148P140-L144 WeakPolarHBondContact O-CB 3.27Å; P140-L144 WeakPolarHBondContact O-CD1 3.36Å; P140-L144 VanDerWaalsContact O-CG 3.27Å; P140-L144 WeakPolarHBondContact O-CG 3.42Å; P140-L144 PolarHBondContact O-N 3.16Å; P140-L144 VanDerWaalsContact O-N 3.07Å; T141-L144 PolarHBondContact O-N 3.16Å; E142-L144 VanDerWaalsContact C-N 3.29Å; E142-L144 PolarHBondContact O-N 2.94Å; L144-R146 VanDerWaalsContact C-N 3.33Å; L144-R146 PolarHBondContact O-N 2.7Å; L144-A147 PolarHBondContact O-N 3.1Å; L144-V148 VanDerWaalsContact O-CB 3.3Å; L144-V148 WeakPolarHBondContact O-CB 3.46Å; L144-V148 WeakPolarHBondContact O-CG2 3.4Å; L144-V148 PolarHBondContact O-N 3.03Å
145I72.7Confident63Low108 Ų108100.2 Ų100.255%0.55456%0.561SS**Hα-helixtrans-62.7-42.7177.1-69.3161.4000110.2T141 E142 V148 S149T141-I145 HydrophobicContact CG2-CD1 4.12Å; T141-I145 WeakPolarHBondContact O-CB 3.45Å; T141-I145 WeakPolarHBondContact O-CD1 3.47Å; T141-I145 WeakPolarHBondContact O-CG1 3.33Å; T141-I145 PolarHBondContact O-N 3.18Å; E142-I145 PolarHBondContact O-N 2.77Å; I145-V148 PolarHBondContact O-N 3.5Å; I145-S149 VanDerWaalsContact O-CB 3.25Å; I145-S149 WeakPolarHBondContact O-CB 3.33Å; I145-S149 PolarHBondContact O-N 3.35Å
146R73.5Confident62.9Low149 Ų14994 Ų9456%0.56254%0.544SS*.Hα-helixtrans-67.7-41.5176.2-168179.2-59.8168.13.1111.8E142 L144 V148 S149 D150E142-R146 VanDerWaalsContact O-CB 3.24Å; E142-R146 WeakPolarHBondContact O-CB 3.48Å; E142-R146 PolarHBondContact O-N 2.85Å; L144-R146 VanDerWaalsContact C-N 3.33Å; L144-R146 PolarHBondContact O-N 2.7Å; R146-V148 VanDerWaalsContact C-N 3.32Å; R146-V148 PolarHBondContact O-N 2.63Å; R146-S149 PolarHBondContact O-N 2.91Å; R146-D150 VanDerWaalsContact O-CB 3.29Å; R146-D150 WeakPolarHBondContact O-CB 3.35Å; R146-D150 PolarHBondContact O-N 2.87Å
147A73.7Confident62.8Low55 Ų5597.6 Ų97.646%0.45555%0.549SS..Hα-helixtrans-65.4-36.3175.100000112.2S143 L144 L151S143-A147 WeakPolarHBondContact O-CB 3.49Å; S143-A147 PolarHBondContact O-N 3.45Å; L144-A147 PolarHBondContact O-N 3.1Å; A147-L151 WeakPolarHBondContact O-CB 3.49Å; A147-L151 PolarHBondContact O-N 3.38Å
148V71.1Confident62.5Low77 Ų7796 Ų9647%0.46754%0.541SS..Hα-helixtrans-72-37.7174.3173.20000110.7L144 I145 R146 L151 L152L144-V148 VanDerWaalsContact O-CB 3.3Å; L144-V148 WeakPolarHBondContact O-CB 3.46Å; L144-V148 WeakPolarHBondContact O-CG2 3.4Å; L144-V148 PolarHBondContact O-N 3.03Å; I145-V148 PolarHBondContact O-N 3.5Å; R146-V148 VanDerWaalsContact C-N 3.32Å; R146-V148 PolarHBondContact O-N 2.63Å; V148-L151 PolarHBondContact O-N 2.92Å; V148-L152 HydrophobicContact CG1-CD1 4.03Å; V148-L152 HydrophobicContact CG1-CG 4.47Å; V148-L152 WeakPolarHBondContact O-CB 3.4Å; V148-L152 VanDerWaalsContact O-CG 3.23Å; V148-L152 WeakPolarHBondContact O-CG 3.24Å; V148-L152 PolarHBondContact O-N 3.37Å
149S68.8Low62.3Low56 Ų5697.1 Ų97.139%0.39256%0.555SS.*Hα-helixtrans-65.4-47.2173.7-157.60000110.8I145 R146 L151 L152 D153I145-S149 VanDerWaalsContact O-CB 3.25Å; I145-S149 WeakPolarHBondContact O-CB 3.33Å; I145-S149 PolarHBondContact O-N 3.35Å; R146-S149 PolarHBondContact O-N 2.91Å; S149-L151 VanDerWaalsContact C-N 3.27Å; S149-L151 PolarHBondContact O-N 3.41Å; S149-L152 CarbonylContact O-C 3.57Å; S149-L152 WeakPolarHBondContact O-CA 3.41Å; S149-L152 WeakPolarHBondContact O-CB 3.48Å; S149-L152 PolarHBondContact O-N 2.86Å; S149-L152 VanDerWaalsContact O-N 3.09Å; S149-D153 WeakPolarHBondContact O-CB 3.46Å; S149-D153 VanDerWaalsContact O-CG 3.26Å; S149-D153 PolarHBondContact O-N 3.42Å
150D71.9Confident61.4Low73 Ų73101.3 Ų101.339%0.3958%0.579SS.*Hα-helixtrans-63.5-32.5174.3-73.2-12.1000111.9R146 K154R146-D150 VanDerWaalsContact O-CB 3.29Å; R146-D150 WeakPolarHBondContact O-CB 3.35Å; R146-D150 PolarHBondContact O-N 2.87Å; D150-K154 WeakPolarHBondContact O-CB 3.29Å; D150-K154 WeakPolarHBondContact O-CD 3.17Å; D150-K154 WeakPolarHBondContact O-CG 3.49Å; D150-K154 PolarHBondContact O-N 3.47Å
151L69.2Low60.4Low123 Ų123103.1 Ų103.164%0.64458%0.579SS**Hα-helixtrans-72.5-37.6173.8-164.788000111A147 V148 S149 A155A147-L151 WeakPolarHBondContact O-CB 3.49Å; A147-L151 PolarHBondContact O-N 3.38Å; V148-L151 PolarHBondContact O-N 2.92Å; S149-L151 VanDerWaalsContact C-N 3.27Å; S149-L151 PolarHBondContact O-N 3.41Å; L151-A155 WeakPolarHBondContact O-CB 3.29Å; L151-A155 PolarHBondContact O-N 2.81Å
152L67.3Low59.6Low111 Ų111102.6 Ų102.658%0.58158%0.583SS**Hα-helixtrans-68.3-39173.3-76166000111.1V148 S149 A155 A156V148-L152 HydrophobicContact CG1-CD1 4.03Å; V148-L152 HydrophobicContact CG1-CG 4.47Å; V148-L152 WeakPolarHBondContact O-CB 3.4Å; V148-L152 VanDerWaalsContact O-CG 3.23Å; V148-L152 WeakPolarHBondContact O-CG 3.24Å; V148-L152 PolarHBondContact O-N 3.37Å; S149-L152 CarbonylContact O-C 3.57Å; S149-L152 WeakPolarHBondContact O-CA 3.41Å; S149-L152 WeakPolarHBondContact O-CB 3.48Å; S149-L152 PolarHBondContact O-N 2.86Å; S149-L152 VanDerWaalsContact O-N 3.09Å; L152-A155 CarbonylContact O-C 3.23Å; L152-A155 PolarHBondContact O-N 2.83Å; L152-A156 WeakPolarHBondContact O-CB 3.46Å; L152-A156 PolarHBondContact O-N 3.4Å
153D60.6Low58.9Low105 Ų105100.7 Ų100.756%0.56159%0.591SS**Hα-helixtrans-72.5-35.2176.4-70.1-32000111.7S149 A156S149-D153 WeakPolarHBondContact O-CB 3.46Å; S149-D153 VanDerWaalsContact O-CG 3.26Å; S149-D153 PolarHBondContact O-N 3.42Å; D153-A156 CarbonylContact O-C 3.59Å; D153-A156 PolarHBondContact O-N 3.21Å
154K59.1Low58.3Low158 Ų158102.2 Ų102.269%0.68761%0.614SS**Hα-helixtrans-77.2-29172.5-74.6169-177.7164.10113D150 A156D150-K154 WeakPolarHBondContact O-CB 3.29Å; D150-K154 WeakPolarHBondContact O-CD 3.17Å; D150-K154 WeakPolarHBondContact O-CG 3.49Å; D150-K154 PolarHBondContact O-N 3.47Å; K154-A156 VanDerWaalsContact C-N 3.33Å
155A53.1Low57.9Low82 Ų8299.7 Ų99.768%0.67860%0.599SS**Hα-helixtrans-76.1-25.8169.500000111.4L151 L152 K157L151-A155 WeakPolarHBondContact O-CB 3.29Å; L151-A155 PolarHBondContact O-N 2.81Å; L152-A155 CarbonylContact O-C 3.23Å; L152-A155 PolarHBondContact O-N 2.83Å; A155-K157 PolarHBondContact O-N 2.99Å
156A47.6Very low57.9Low66 Ų66105.5 Ų105.555%0.54561%0.614SS.*  trans-8055.416700000111.3L152 D153 K154L152-A156 WeakPolarHBondContact O-CB 3.46Å; L152-A156 PolarHBondContact O-N 3.4Å; D153-A156 CarbonylContact O-C 3.59Å; D153-A156 PolarHBondContact O-N 3.21Å; K154-A156 VanDerWaalsContact C-N 3.33Å
157K40.8Very low58.3Low176 Ų176107.8 Ų107.877%0.76562%0.622SS**  trans-64.1146.2152.8-95.6-179.8177.8175.90108.7A155 A159A155-K157 PolarHBondContact O-N 2.99Å; K157-A159 PolarHBondContact O-N 3.24Å
158P47.7Very low59.2Low106 Ų106105.8 Ų105.869%0.68860%0.603SS**SBendtrans-70.198.4-14629.7-35.1000110.9T160P158-T160 VanDerWaalsContact C-N 3.28Å
159A45Very low60.2Low81 Ų81109.8 Ų109.867%0.66961%0.61SS**SBendtrans-86.8-4.7163.600000111.6K157K157-A159 PolarHBondContact O-N 3.24Å
160T45.8Very low61.5Low140 Ų140108.9 Ų108.986%0.85960%0.602SS**SBendtrans-114.910.8-165.8-22.30000114.8P158P158-T160 VanDerWaalsContact C-N 3.28Å
161E42.2Very low62.7Low143 Ų143105.8 Ų105.867%0.66859%0.586SS**SBendtrans-99.214.7157.7-72.1-164.8169.800112.2G163E161-G163 PolarHBondContact O-N 3.21Å; E161-G163 VanDerWaalsContact O-N 3.11Å
162A45.3Very low63.9Low76 Ų76100.1 Ų100.163%0.62856%0.556SS**  trans-85.264.3171.800000110.2G164A162-G164 VanDerWaalsContact C-N 3.35Å; A162-G164 PolarHBondContact O-N 3.01Å
163G45.4Very low65.1Low61 Ų6195.6 Ų95.663%0.62954%0.536SS*.  trans-61.199.3158.200000109.3E161 F165E161-G163 PolarHBondContact O-N 3.21Å; E161-G163 VanDerWaalsContact O-N 3.11Å; G163-F165 PolarHBondContact O-N 3.42Å
164G54Low66.6Low84 Ų8494.6 Ų94.687%0.86653%0.53SS*.SBendtrans76.6-34.8154.500000119.9A162A162-G164 VanDerWaalsContact C-N 3.35Å; A162-G164 PolarHBondContact O-N 3.01Å
165F61.3Low67.9Low64 Ų6494.3 Ų94.328%0.28154%0.535SS..  trans-105.5133.4-166.6-133.7-93.9000114.3G163 M193 M194 V197G163-F165 PolarHBondContact O-N 3.42Å; F165-M193 HydrophobicContact CE1-CB 4.49Å; F165-M193 HydrophobicContact CZ-CB 3.73Å; F165-M194 HydrophobicContact CD1-CB 3.63Å; F165-M194 HydrophobicContact CD1-CG 3.72Å; F165-M194 VanDerWaalsContact CE1-CA 3.46Å; F165-M194 HydrophobicContact CE1-CB 3.57Å; F165-M194 HydrophobicContact CE1-CG 4.21Å; F165-M194 HydrophobicContact CG-CB 4.42Å; F165-M194 HydrophobicContact CG-CG 4.28Å; F165-M194 HydrophobicContact CZ-CB 4.34Å; F165-V197 HydrophobicContact CD2-CB 4.01Å; F165-V197 HydrophobicContact CD2-CG1 3.96Å; F165-V197 HydrophobicContact CE2-CB 3.65Å; F165-V197 HydrophobicContact CE2-CG1 3.83Å; F165-V197 HydrophobicContact CE2-CG2 4.18Å
166R71.6Confident69.6Low230 Ų23096 Ų9687%0.86854%0.539SS*.PPolyproline II helixtrans-63.6140173.3-66.5-170.2-156.8-137.14.9109.6L168R166-L168 PolarHBondContact O-N 3.35Å
167R83.8Confident71.7Confident197 Ų19794.7 Ų94.774%0.74353%0.525SS*.PPolyproline II helixtrans-55.8132.6173-177.4178.7177.1174.62.5110.4
168L91.3Very high74.1Confident12 Ų1288.3 Ų88.36%0.06350%0.501CS..PPolyproline II helixtrans-56.5140.4175-68.2176.2000111.3R166 W187 Q190 A191 M194R166-L168 PolarHBondContact O-N 3.35Å; L168-W187 HydrophobicContact CD1-CZ2 4.47Å; L168-Q190 HydrophobicContact CD2-CB 3.78Å; L168-Q190 WeakPolarHBondContact CD2-O 3.26Å; L168-A191 HydrophobicContact CD1-CB 4.06Å; L168-A191 HydrophobicContact CD2-CB 4.29Å; L168-M194 HydrophobicContact CD1-CE 4.15Å; L168-M194 HydrophobicContact CD1-SD 3.64Å; L168-M194 HydrophobicContact CD2-CB 4.1Å; L168-M194 HydrophobicContact CG-CB 4.49Å; L168-M194 HydrophobicContact CG-SD 3.89Å
169R92.9Very high76Confident161 Ų16188.6 Ų88.661%0.60851%0.512SS*.PPolyproline II helixtrans-66.9160.2171.5-70.4-68.1-168.7-1660.9110.5E182 W187 S212R169-E182 HydrophobicContact CB-CB 3.77Å; R169-E182 HydrophobicContact CB-CG 4.31Å; R169-W187 PolarHBondContact O-NE1 3.24Å; R169-S212 WeakPolarHBondContact O-CB 3.47Å
170T95.3Very high78.1Confident37 Ų3788.3 Ų88.323%0.22752%0.517CS..PPolyproline II helixtrans-77.4137.2-179.8-59.30000111.3E181 E182 S212 K214T170-E181 HydrophobicContact CG2-CG 4.23Å; T170-E181 WeakPolarHBondContact O-CA 3.31Å; T170-E181 WeakPolarHBondContact O-CB 3.48Å; T170-E182 PolarHBondContact O-N 2.98Å; T170-S212 CarbonylContact C-O 3.54Å; T170-S212 WeakPolarHBondContact CA-O 3.45Å; T170-K214 HydrophobicContact CG2-CB 4.39Å; T170-K214 HydrophobicContact CG2-CD 3.56Å; T170-K214 HydrophobicContact CG2-CG 3.77Å
171F97Very high80.4Confident9 Ų983.9 Ų83.94%0.03949%0.487CS..BIsolated β-bridgetrans-132127.7173169.5-113000110.6F184 W187 S212 L213 K214 A217 F244F171-F184 HydrophobicContact CD1-CD2 4.25Å; F171-F184 AromaticContact CE1-CD2 3.51Å; F171-F184 HydrophobicContact CE1-CD2 3.51Å; F171-F184 HydrophobicContact CE1-CE2 4.03Å; F171-F184 HydrophobicContact CE2-CB 3.73Å; F171-F184 AromaticContact CE2-CD2 3.9Å; F171-F184 HydrophobicContact CE2-CD2 3.9Å; F171-F184 HydrophobicContact CE2-CG 4.29Å; F171-F184 HydrophobicContact CZ-CB 3.9Å; F171-F184 AromaticContact CZ-CD2 3.3Å; F171-F184 HydrophobicContact CZ-CD2 3.3Å; F171-F184 HydrophobicContact CZ-CE2 4.2Å; F171-F184 AromaticContact CZ-CG 3.97Å; F171-F184 HydrophobicContact CZ-CG 3.97Å; F171-W187 HydrophobicContact CB-CB 4.19Å; F171-W187 HydrophobicContact CB-CD2 3.83Å; F171-W187 HydrophobicContact CB-CG 3.57Å; F171-W187 HydrophobicContact CD1-CD2 4.23Å; F171-W187 HydrophobicContact CD1-CE3 4.18Å; F171-W187 HydrophobicContact CG-CD2 4.2Å; F171-W187 HydrophobicContact CG-CG 4.17Å; F171-S212 PolarHBondContact N-O 3.16Å; F171-L213 HydrophobicContact CB-CD2 4.43Å; F171-L213 HydrophobicContact CD1-CD2 3.74Å; F171-L213 CarbonylContact O-C 3.51Å; F171-L213 WeakPolarHBondContact O-CA 3.45Å; F171-K214 PolarHBondContact O-N 2.99Å; F171-A217 HydrophobicContact CD1-CB 3.6Å; F171-A217 HydrophobicContact CE1-CB 3.42Å; F171-A217 VanDerWaalsContact CE1-CB 3.42Å; F171-A217 HydrophobicContact CZ-CB 4.33Å; F171-F244 HydrophobicContact CE1-CD2 4.12Å; F171-F244 HydrophobicContact CE1-CG 4.15Å; F171-F244 HydrophobicContact CZ-CB 4.04Å; F171-F244 HydrophobicContact CZ-CD1 4.07Å; F171-F244 HydrophobicContact CZ-CD2 4.29Å; F171-F244 AromaticContact CZ-CG 3.86Å; F171-F244 HydrophobicContact CZ-CG 3.86Å
172S95.1Very high82.8Confident3 Ų379.4 Ų79.42%0.02147%0.466CS..  trans-105.5-17.3-179.261.70000115.4I174 E181 K214 P216 A217S172-I174 VanDerWaalsContact C-N 3.28Å; S172-I174 PolarHBondContact OG-N 3.32Å; S172-E181 WeakPolarHBondContact CB-OE2 3.44Å; S172-E181 PolarHBondContact N-OE2 3.17Å; S172-E181 PolarHBondContact OG-OE2 2.94Å; S172-K214 CarbonylContact C-O 3.56Å; S172-K214 VanDerWaalsContact CA-O 3.27Å; S172-K214 WeakPolarHBondContact CA-O 3.47Å; S172-K214 VanDerWaalsContact O-O 3.06Å; S172-P216 WeakPolarHBondContact O-CD 3.04Å; S172-A217 PolarHBondContact O-N 3.24Å; S172-A217 VanDerWaalsContact O-N 3.11Å
173G92.6Very high85.1Confident16 Ų1680.8 Ų80.817%0.16546%0.459CS..  trans75.311.6-170.100000114.9
174I92.4Very high87.3Confident84 Ų8478.9 Ų78.943%0.43143%0.434SS..  trans-91.4133.5177.4-60.2173.8000110.2S172 P176 T177 P178 P216S172-I174 VanDerWaalsContact C-N 3.28Å; S172-I174 PolarHBondContact OG-N 3.32Å; I174-P176 CarbonylContact O-C 3.39Å; I174-T177 WeakPolarHBondContact O-CA 3.48Å; I174-T177 PolarHBondContact O-N 3.37Å; I174-P178 HydrophobicContact CB-CG 4.32Å; I174-P178 HydrophobicContact CG2-CG 4.5Å; I174-P216 HydrophobicContact CG1-CG 4.36Å
175L86.4Confident89Confident152 Ų15278.2 Ų78.280%0.79641%0.41SS*.SBendtrans-115133.1175-71.8172000111.2
176P87.7Confident90.5Very high118 Ų11879.1 Ų79.177%0.76642%0.415SS*.SBendcis-67.6150.2-4.629.8-35000112.3I174 P178I174-P176 CarbonylContact O-C 3.39Å; P176-P178 WeakPolarHBondContact O-CD 3.4Å
177T91.3Very high91.6Very high39 Ų3968.2 Ų68.224%0.23937%0.374CS..PPolyproline II helixtrans-55.1124-176.4-53.70000111.3I174 E181 Q183I174-T177 WeakPolarHBondContact O-CA 3.48Å; I174-T177 PolarHBondContact O-N 3.37Å; T177-E181 HydrophobicContact CG2-CB 3.99Å; T177-Q183 HydrophobicContact CG2-CG 4.42Å
178P92.1Very high92.1Very high42 Ų4259.6 Ų59.627%0.27334%0.343SS..PPolyproline II helixtrans-57.9149.5178.1-26.134.9000113.3I174 P176 G180 E181I174-P178 HydrophobicContact CB-CG 4.32Å; I174-P178 HydrophobicContact CG2-CG 4.5Å; P176-P178 WeakPolarHBondContact O-CD 3.4Å; P178-G180 PolarHBondContact O-N 3.08Å; P178-E181 HydrophobicContact CB-CG 4.16Å; P178-E181 WeakPolarHBondContact CD-OE2 3.25Å; P178-E181 WeakPolarHBondContact O-CB 3.33Å; P178-E181 PolarHBondContact O-N 2.82Å; P178-E181 VanDerWaalsContact O-N 3.07Å
179A88.1Confident92.1Very high111 Ų11164.7 Ų64.792%0.91737%0.366SS*.THydrogen-bonded Turntrans-62.3126179.100000111.5
180G88.5Confident92.1Very high75 Ų7559.7 Ų59.777%0.77335%0.35SS*.THydrogen-bonded Turntrans90.5-1.3-177.200000114.5P178P178-G180 PolarHBondContact O-N 3.08Å
181E93.4Very high92Very high48 Ų4858 Ų5822%0.22434%0.339CS..SBendtrans-99.9159.7169.5-61.8-171179.200111.3T170 S172 T177 P178T170-E181 HydrophobicContact CG2-CG 4.23Å; T170-E181 WeakPolarHBondContact O-CA 3.31Å; T170-E181 WeakPolarHBondContact O-CB 3.48Å; S172-E181 WeakPolarHBondContact CB-OE2 3.44Å; S172-E181 PolarHBondContact N-OE2 3.17Å; S172-E181 PolarHBondContact OG-OE2 2.94Å; T177-E181 HydrophobicContact CG2-CB 3.99Å; P178-E181 HydrophobicContact CB-CG 4.16Å; P178-E181 WeakPolarHBondContact CD-OE2 3.25Å; P178-E181 WeakPolarHBondContact O-CB 3.33Å; P178-E181 PolarHBondContact O-N 2.82Å; P178-E181 VanDerWaalsContact O-N 3.07Å
182E93.9Very high91.9Very high48 Ų4861.8 Ų61.822%0.22435%0.354CS..PPolyproline II helixtrans-93.1146.5-179.8-164.867.8-115.900110.4R169 T170 H186 W187R169-E182 HydrophobicContact CB-CB 3.77Å; R169-E182 HydrophobicContact CB-CG 4.31Å; T170-E182 PolarHBondContact O-N 2.98Å; E182-H186 HydrophobicContact CG-CB 3.92Å; E182-H186 WeakPolarHBondContact OE1-CB 3.43Å; E182-H186 IonicContact OE1-CG 3.49Å; E182-H186 IonicContact OE1-ND1 3.87Å; E182-W187 HydrophobicContact CB-CB 4.03Å; E182-W187 HydrophobicContact CG-CB 3.84Å
183Q92.5Very high91.6Very high106 Ų10666.1 Ų66.150%0.49538%0.375SS..PPolyproline II helixtrans-70.9153.8172.6-61.5-170.1-4800110.4T177 D185 H186 W187T177-Q183 HydrophobicContact CG2-CG 4.42Å; Q183-D185 PolarHBondContact O-N 3.23Å; Q183-H186 PolarHBondContact O-N 3.47Å; Q183-H186 PolarHBondContact OE1-CE1 3.19Å; Q183-W187 WeakPolarHBondContact O-CB 3.34Å; Q183-W187 PolarHBondContact O-N 2.87Å
184F92.8Very high91.6Very high20 Ų2065.6 Ų65.69%0.08837%0.368CS..Hα-helixtrans-54.4-53.4-173.4-179-112.2000113.1F171 H186 W187 L188 L240 D241 F244 G245F171-F184 HydrophobicContact CD1-CD2 4.25Å; F171-F184 AromaticContact CE1-CD2 3.51Å; F171-F184 HydrophobicContact CE1-CD2 3.51Å; F171-F184 HydrophobicContact CE1-CE2 4.03Å; F171-F184 HydrophobicContact CE2-CB 3.73Å; F171-F184 AromaticContact CE2-CD2 3.9Å; F171-F184 HydrophobicContact CE2-CD2 3.9Å; F171-F184 HydrophobicContact CE2-CG 4.29Å; F171-F184 HydrophobicContact CZ-CB 3.9Å; F171-F184 AromaticContact CZ-CD2 3.3Å; F171-F184 HydrophobicContact CZ-CD2 3.3Å; F171-F184 HydrophobicContact CZ-CE2 4.2Å; F171-F184 AromaticContact CZ-CG 3.97Å; F171-F184 HydrophobicContact CZ-CG 3.97Å; F184-H186 PolarHBondContact O-N 2.94Å; F184-W187 HydrophobicContact CE2-CE3 4.41Å; F184-W187 PolarHBondContact O-N 3.34Å; F184-L188 HydrophobicContact CE1-CD2 3.84Å; F184-L188 HydrophobicContact CE2-CB 4.38Å; F184-L188 HydrophobicContact CE2-CD1 4.39Å; F184-L188 HydrophobicContact CZ-CB 4.24Å; F184-L188 HydrophobicContact CZ-CD1 4.08Å; F184-L188 HydrophobicContact CZ-CD2 3.76Å; F184-L188 HydrophobicContact CZ-CG 4.24Å; F184-L188 VanDerWaalsContact O-CB 3.31Å; F184-L188 WeakPolarHBondContact O-CB 3.44Å; F184-L188 PolarHBondContact O-N 3.01Å; F184-L240 HydrophobicContact CE2-CB 4.16Å; F184-L240 HydrophobicContact CZ-CB 4.45Å; F184-L240 WeakPolarHBondContact CZ-O 3.47Å; F184-D241 HydrophobicContact CZ-CB 4.4Å; F184-F244 HydrophobicContact CD1-CB 4.09Å; F184-F244 VanDerWaalsContact CD1-O 3.3Å; F184-F244 WeakPolarHBondContact CD1-O 3.38Å; F184-F244 HydrophobicContact CD2-CB 3.69Å; F184-F244 HydrophobicContact CE1-CB 4.19Å; F184-F244 HydrophobicContact CE2-CB 3.78Å; F184-F244 HydrophobicContact CG-CB 3.84Å; F184-F244 HydrophobicContact CZ-CB 4.03Å; F184-G245 VanDerWaalsContact CE1-N 3.32Å
185D89.7Confident91.6Very high70 Ų7061.9 Ų61.937%0.37435%0.35SS..Hα-helixtrans-54.4-50.4-178.7-65-17.1000112Q183 W187 L188 E189Q183-D185 PolarHBondContact O-N 3.23Å; D185-W187 PolarHBondContact O-N 2.92Å; D185-L188 PolarHBondContact O-N 3.29Å; D185-E189 WeakPolarHBondContact O-CG 3.49Å; D185-E189 PolarHBondContact O-N 3.07Å
186H91.3Very high91.7Very high84 Ų8462.3 Ų62.339%0.38935%0.348SS..Hα-helixtrans-67.7-37.9-179.3-56.5115.1000112.5E182 Q183 F184 Q190E182-H186 HydrophobicContact CG-CB 3.92Å; E182-H186 WeakPolarHBondContact OE1-CB 3.43Å; E182-H186 IonicContact OE1-CG 3.49Å; E182-H186 IonicContact OE1-ND1 3.87Å; Q183-H186 PolarHBondContact O-N 3.47Å; Q183-H186 PolarHBondContact OE1-CE1 3.19Å; F184-H186 PolarHBondContact O-N 2.94Å; H186-Q190 VanDerWaalsContact O-CG 3.26Å; H186-Q190 WeakPolarHBondContact O-CG 3.26Å; H186-Q190 PolarHBondContact O-N 2.81Å; H186-Q190 VanDerWaalsContact O-N 3.13Å
187W95.6Very high91.7Very high0 Ų061.1 Ų61.10%034%0.338CS..Hα-helixtrans-65.9-42.7176.3178.389000111.1L168 R169 F171 E182 Q183 F184 D185 Q190 A191 I209 S212 L213 L237 L240L168-W187 HydrophobicContact CD1-CZ2 4.47Å; R169-W187 PolarHBondContact O-NE1 3.24Å; F171-W187 HydrophobicContact CB-CB 4.19Å; F171-W187 HydrophobicContact CB-CD2 3.83Å; F171-W187 HydrophobicContact CB-CG 3.57Å; F171-W187 HydrophobicContact CD1-CD2 4.23Å; F171-W187 HydrophobicContact CD1-CE3 4.18Å; F171-W187 HydrophobicContact CG-CD2 4.2Å; F171-W187 HydrophobicContact CG-CG 4.17Å; E182-W187 HydrophobicContact CB-CB 4.03Å; E182-W187 HydrophobicContact CG-CB 3.84Å; Q183-W187 WeakPolarHBondContact O-CB 3.34Å; Q183-W187 PolarHBondContact O-N 2.87Å; F184-W187 HydrophobicContact CE2-CE3 4.41Å; F184-W187 PolarHBondContact O-N 3.34Å; D185-W187 PolarHBondContact O-N 2.92Å; W187-Q190 WeakPolarHBondContact O-CB 3.49Å; W187-Q190 PolarHBondContact O-N 2.77Å; W187-A191 HydrophobicContact CE3-CB 4.38Å; W187-A191 HydrophobicContact CH2-CB 3.97Å; W187-A191 HydrophobicContact CZ2-CB 4.18Å; W187-A191 HydrophobicContact CZ3-CB 4.09Å; W187-A191 WeakPolarHBondContact O-CB 3.39Å; W187-A191 PolarHBondContact O-N 3.29Å; W187-I209 HydrophobicContact CH2-CG2 4.16Å; W187-I209 HydrophobicContact CZ2-CG2 4.43Å; W187-S212 VanDerWaalsContact CZ2-OG 3.24Å; W187-S212 WeakPolarHBondContact CZ2-OG 3.44Å; W187-S212 PolarHBondContact NE1-OG 2.99Å; W187-L213 HydrophobicContact CH2-CD2 3.66Å; W187-L213 HydrophobicContact CH2-CG 4.44Å; W187-L213 HydrophobicContact CZ2-CD2 3.45Å; W187-L213 VanDerWaalsContact CZ2-CD2 3.45Å; W187-L213 HydrophobicContact CZ2-CG 4.14Å; W187-L213 HydrophobicContact CZ3-CD2 4.35Å; W187-L237 HydrophobicContact CH2-CD2 3.98Å; W187-L237 HydrophobicContact CZ3-CD2 4.18Å; W187-L240 HydrophobicContact CH2-CD1 3.52Å; W187-L240 HydrophobicContact CZ3-CD1 3.72Å
188L94.1Very high91.4Very high17 Ų1759.6 Ų59.69%0.08933%0.329CS..Hα-helixtrans-64.2-44-179.5-173.268.4000110.8F184 D185 Q190 A191 Y192 L237 D241F184-L188 HydrophobicContact CE1-CD2 3.84Å; F184-L188 HydrophobicContact CE2-CB 4.38Å; F184-L188 HydrophobicContact CE2-CD1 4.39Å; F184-L188 HydrophobicContact CZ-CB 4.24Å; F184-L188 HydrophobicContact CZ-CD1 4.08Å; F184-L188 HydrophobicContact CZ-CD2 3.76Å; F184-L188 HydrophobicContact CZ-CG 4.24Å; F184-L188 VanDerWaalsContact O-CB 3.31Å; F184-L188 WeakPolarHBondContact O-CB 3.44Å; F184-L188 PolarHBondContact O-N 3.01Å; D185-L188 PolarHBondContact O-N 3.29Å; L188-Q190 PolarHBondContact O-N 2.66Å; L188-A191 PolarHBondContact O-N 3.03Å; L188-A191 VanDerWaalsContact O-N 3.17Å; L188-Y192 HydrophobicContact CD1-CD2 4.1Å; L188-Y192 HydrophobicContact CD1-CE2 3.69Å; L188-Y192 HydrophobicContact CD2-CE2 4.04Å; L188-Y192 HydrophobicContact CG-CD2 3.83Å; L188-Y192 HydrophobicContact CG-CE2 3.65Å; L188-Y192 WeakPolarHBondContact O-CD2 3.44Å; L188-Y192 PolarHBondContact O-N 3.46Å; L188-L237 HydrophobicContact CD1-CB 4.24Å; L188-L237 HydrophobicContact CD1-CD2 4.36Å; L188-D241 HydrophobicContact CD2-CB 4.08Å
189E91.4Very high90.9Very high118 Ų11867.1 Ų67.155%0.55136%0.36SS*.Hα-helixtrans-57.5-46.3172.6-73.9176.2-178.500111.8D185 A191 M193D185-E189 WeakPolarHBondContact O-CG 3.49Å; D185-E189 PolarHBondContact O-N 3.07Å; E189-A191 VanDerWaalsContact C-N 3.3Å; E189-A191 PolarHBondContact O-N 3.01Å; E189-M193 WeakPolarHBondContact O-CG 3.25Å; E189-M193 PolarHBondContact O-N 3.32Å; E189-M193 VanDerWaalsContact O-N 3.07Å
190Q92.9Very high90.8Very high57 Ų5763.1 Ų63.127%0.26633%0.326SS..Hα-helixtrans-61.6-39.7175.8-71.2172.712.700112.1L168 H186 W187 L188 M194L168-Q190 HydrophobicContact CD2-CB 3.78Å; L168-Q190 WeakPolarHBondContact CD2-O 3.26Å; H186-Q190 VanDerWaalsContact O-CG 3.26Å; H186-Q190 WeakPolarHBondContact O-CG 3.26Å; H186-Q190 PolarHBondContact O-N 2.81Å; H186-Q190 VanDerWaalsContact O-N 3.13Å; W187-Q190 WeakPolarHBondContact O-CB 3.49Å; W187-Q190 PolarHBondContact O-N 2.77Å; L188-Q190 PolarHBondContact O-N 2.66Å; Q190-M194 WeakPolarHBondContact O-CB 3.48Å; Q190-M194 PolarHBondContact O-N 3.37Å
191A94.2Very high90.9Very high0 Ų062.8 Ų62.80%031%0.311CS..Hα-helixtrans-69.3-43.4-178.700000111.9L168 W187 L188 E189 M194 V195 L237L168-A191 HydrophobicContact CD1-CB 4.06Å; L168-A191 HydrophobicContact CD2-CB 4.29Å; W187-A191 HydrophobicContact CE3-CB 4.38Å; W187-A191 HydrophobicContact CH2-CB 3.97Å; W187-A191 HydrophobicContact CZ2-CB 4.18Å; W187-A191 HydrophobicContact CZ3-CB 4.09Å; W187-A191 WeakPolarHBondContact O-CB 3.39Å; W187-A191 PolarHBondContact O-N 3.29Å; L188-A191 PolarHBondContact O-N 3.03Å; L188-A191 VanDerWaalsContact O-N 3.17Å; E189-A191 VanDerWaalsContact C-N 3.3Å; E189-A191 PolarHBondContact O-N 3.01Å; A191-M194 WeakPolarHBondContact O-CB 3.32Å; A191-M194 PolarHBondContact O-N 3.11Å; A191-V195 WeakPolarHBondContact O-CG2 3.38Å; A191-V195 PolarHBondContact O-N 3.45Å; A191-L237 HydrophobicContact CB-CD1 4.24Å; A191-L237 HydrophobicContact CB-CD2 3.58Å
192Y93.6Very high90.8Very high89 Ų8964.6 Ų64.635%0.34933%0.327SS..Hα-helixtrans-59.9-48.3172.9-86.4-65.9000111.6L188 M194 V195 E196 L237L188-Y192 HydrophobicContact CD1-CD2 4.1Å; L188-Y192 HydrophobicContact CD1-CE2 3.69Å; L188-Y192 HydrophobicContact CD2-CE2 4.04Å; L188-Y192 HydrophobicContact CG-CD2 3.83Å; L188-Y192 HydrophobicContact CG-CE2 3.65Å; L188-Y192 WeakPolarHBondContact O-CD2 3.44Å; L188-Y192 PolarHBondContact O-N 3.46Å; Y192-M194 VanDerWaalsContact C-N 3.27Å; Y192-M194 PolarHBondContact O-N 3.13Å; Y192-V195 PolarHBondContact O-N 3.27Å; Y192-V195 VanDerWaalsContact O-N 3.1Å; Y192-E196 WeakPolarHBondContact O-CB 3.47Å; Y192-E196 PolarHBondContact O-N 3.35Å; Y192-L237 HydrophobicContact CD1-CD1 3.53Å; Y192-L237 HydrophobicContact CD2-CD1 4.19Å; Y192-L237 HydrophobicContact CE1-CB 4.01Å; Y192-L237 HydrophobicContact CE1-CD1 3.7Å; Y192-L237 HydrophobicContact CE2-CB 4.24Å; Y192-L237 HydrophobicContact CE2-CD1 4.35Å; Y192-L237 HydrophobicContact CG-CD1 3.78Å
193M89.9Confident90.7Very high95 Ų9569.8 Ų69.847%0.46835%0.349SS..Hα-helixtrans-60-39.1176.4-69.1-170.1-65.100111.9F165 E189 E196 V197F165-M193 HydrophobicContact CE1-CB 4.49Å; F165-M193 HydrophobicContact CZ-CB 3.73Å; E189-M193 WeakPolarHBondContact O-CG 3.25Å; E189-M193 PolarHBondContact O-N 3.32Å; E189-M193 VanDerWaalsContact O-N 3.07Å; M193-E196 PolarHBondContact O-N 3.12Å; M193-V197 VanDerWaalsContact O-CB 3.25Å; M193-V197 WeakPolarHBondContact O-CB 3.45Å; M193-V197 VanDerWaalsContact O-CG2 3.29Å; M193-V197 WeakPolarHBondContact O-CG2 3.48Å; M193-V197 PolarHBondContact O-N 3.27Å
194M92.9Very high90.7Very high4 Ų466 Ų662%0.0233%0.331CS..Hα-helixtrans-63.7-43.4175.7-176.7-139.859.500111.1F165 L168 Q190 A191 Y192 S198 K205 R208 I209F165-M194 HydrophobicContact CD1-CB 3.63Å; F165-M194 HydrophobicContact CD1-CG 3.72Å; F165-M194 VanDerWaalsContact CE1-CA 3.46Å; F165-M194 HydrophobicContact CE1-CB 3.57Å; F165-M194 HydrophobicContact CE1-CG 4.21Å; F165-M194 HydrophobicContact CG-CB 4.42Å; F165-M194 HydrophobicContact CG-CG 4.28Å; F165-M194 HydrophobicContact CZ-CB 4.34Å; L168-M194 HydrophobicContact CD1-CE 4.15Å; L168-M194 HydrophobicContact CD1-SD 3.64Å; L168-M194 HydrophobicContact CD2-CB 4.1Å; L168-M194 HydrophobicContact CG-CB 4.49Å; L168-M194 HydrophobicContact CG-SD 3.89Å; Q190-M194 WeakPolarHBondContact O-CB 3.48Å; Q190-M194 PolarHBondContact O-N 3.37Å; A191-M194 WeakPolarHBondContact O-CB 3.32Å; A191-M194 PolarHBondContact O-N 3.11Å; Y192-M194 VanDerWaalsContact C-N 3.27Å; Y192-M194 PolarHBondContact O-N 3.13Å; M194-S198 WeakPolarHBondContact O-CB 3.39Å; M194-S198 PolarHBondContact O-N 2.95Å; M194-S198 VanDerWaalsContact O-N 3.08Å; M194-S198 PolarHBondContact O-OG 3.35Å; M194-K205 HydrophobicContact CE-CB 4.44Å; M194-R208 HydrophobicContact CE-CB 4.43Å; M194-R208 HydrophobicContact SD-CB 3.68Å; M194-R208 HydrophobicContact SD-CG 4.5Å; M194-I209 HydrophobicContact CE-CD1 4.4Å; M194-I209 HydrophobicContact CE-CG1 3.9Å
195V92.1Very high90.7Very high7 Ų766.5 Ų66.54%0.04233%0.334CS..Hα-helixtrans-64.8-42.4178.21700000111A191 Y192 K205 I209 P233 E234 L237A191-V195 WeakPolarHBondContact O-CG2 3.38Å; A191-V195 PolarHBondContact O-N 3.45Å; Y192-V195 PolarHBondContact O-N 3.27Å; Y192-V195 VanDerWaalsContact O-N 3.1Å; V195-K205 HydrophobicContact CG1-CD 4.38Å; V195-K205 WeakPolarHBondContact O-CE 3.49Å; V195-K205 PolarHBondContact O-NZ 3.49Å; V195-I209 HydrophobicContact CG2-CD1 3.85Å; V195-P233 HydrophobicContact CG1-CB 4.09Å; V195-P233 HydrophobicContact CG2-CB 3.93Å; V195-E234 HydrophobicContact CG1-CG 4.16Å; V195-E234 WeakPolarHBondContact CG1-OE1 3.33Å; V195-L237 HydrophobicContact CB-CD1 4.4Å; V195-L237 HydrophobicContact CG2-CD1 3.86Å
196E88.6Confident90.9Very high161 Ų16164.4 Ų64.475%0.75232%0.32SS*.Hα-helixtrans-70.2-48.6-178.9-173.7178.3-177.700112.4Y192 M193Y192-E196 WeakPolarHBondContact O-CB 3.47Å; Y192-E196 PolarHBondContact O-N 3.35Å; M193-E196 PolarHBondContact O-N 3.12Å
197V86.2Confident90.9Very high92 Ų9265 Ų6556%0.55832%0.319SS*.Hα-helixtrans-88.8-24.7-168.3179.70000113F165 M193 E199F165-V197 HydrophobicContact CD2-CB 4.01Å; F165-V197 HydrophobicContact CD2-CG1 3.96Å; F165-V197 HydrophobicContact CE2-CB 3.65Å; F165-V197 HydrophobicContact CE2-CG1 3.83Å; F165-V197 HydrophobicContact CE2-CG2 4.18Å; M193-V197 VanDerWaalsContact O-CB 3.25Å; M193-V197 WeakPolarHBondContact O-CB 3.45Å; M193-V197 VanDerWaalsContact O-CG2 3.29Å; M193-V197 WeakPolarHBondContact O-CG2 3.48Å; M193-V197 PolarHBondContact O-N 3.27Å; V197-E199 PolarHBondContact O-N 3.14Å
198S85.1Confident90.9Very high7 Ų767.6 Ų67.65%0.04933%0.329CS..  trans-75.7130.6-177.868.10000112.3M194 C200 K205M194-S198 WeakPolarHBondContact O-CB 3.39Å; M194-S198 PolarHBondContact O-N 2.95Å; M194-S198 VanDerWaalsContact O-N 3.08Å; M194-S198 PolarHBondContact O-OG 3.35Å; S198-C200 PolarHBondContact O-N 3.45Å; S198-C200 PolarHBondContact OG-SG 3.17Å; S198-C200 VanDerWaalsContact OG-SG 3.36Å; S198-K205 WeakPolarHBondContact O-CE 3.36Å; S198-K205 PolarHBondContact O-NZ 3.42Å; S198-K205 WeakPolarHBondContact OG-CE 3.41Å
199E83.1Confident90.9Very high200 Ų20066.8 Ų66.894%0.93533%0.325SS*.  trans-815.8178.3-60.3-176.7161.300113.3V197V197-E199 PolarHBondContact O-N 3.14Å
200C85.8Confident91.1Very high28 Ų2862.9 Ų62.919%0.18931%0.307CS..SBendtrans-77161.8-177.668.50000112.8S198 E204 K205 R208S198-C200 PolarHBondContact O-N 3.45Å; S198-C200 PolarHBondContact OG-SG 3.17Å; S198-C200 VanDerWaalsContact OG-SG 3.36Å; C200-E204 HydrophobicContact CB-CB 4.02Å; C200-E204 HydrophobicContact CB-CG 3.69Å; C200-K205 WeakPolarHBondContact O-CE 3.38Å; C200-K205 WeakPolarHBondContact SG-CG 3.34Å; C200-R208 PolarHBondContact SG-NH1 3.4Å
201S91.1Very high91.2Very high67 Ų6764.4 Ų64.447%0.46931%0.314SS..  trans-59.4152.3179.471.50000112.5K203 E204 K205S201-K203 PolarHBondContact O-N 2.88Å; S201-K203 VanDerWaalsContact O-N 3.15Å; S201-E204 WeakPolarHBondContact O-CA 3.43Å; S201-E204 WeakPolarHBondContact O-CB 3.49Å; S201-E204 PolarHBondContact O-N 3.05Å; S201-E204 WeakPolarHBondContact OG-CB 3.21Å; S201-E204 PolarHBondContact OG-N 2.85Å; S201-K205 PolarHBondContact O-N 3.43Å
202P91.3Very high91.3Very high87 Ų8764.5 Ų64.557%0.56532%0.315SS*.Hα-helixtrans-54.1-35.7175.2-2734.6000113.1E204 K205 R206 P233P202-E204 VanDerWaalsContact C-N 3.31Å; P202-E204 PolarHBondContact O-N 3.14Å; P202-K205 PolarHBondContact O-N 2.71Å; P202-R206 WeakPolarHBondContact O-CB 3.45Å; P202-R206 PolarHBondContact O-N 3.23Å; P202-P233 HydrophobicContact CB-CG 4.11Å; P202-P233 WeakPolarHBondContact O-CG 3.46Å
203K91.6Very high91.4Very high156 Ų15660.6 Ų60.668%0.67830%0.3SS*.Hα-helixtrans-61.6-39.6174.8-174.7178178.9179.80112.2S201 R207S201-K203 PolarHBondContact O-N 2.88Å; S201-K203 VanDerWaalsContact O-N 3.15Å; K203-R207 WeakPolarHBondContact O-CB 3.28Å; K203-R207 PolarHBondContact O-N 3.45Å
204E91.5Very high91.7Very high27 Ų2761.2 Ų61.213%0.12630%0.3CS..Hα-helixtrans-72.6-42.8177.6177.257.8-166.400111.8C200 S201 P202 R206 R207 R208C200-E204 HydrophobicContact CB-CB 4.02Å; C200-E204 HydrophobicContact CB-CG 3.69Å; S201-E204 WeakPolarHBondContact O-CA 3.43Å; S201-E204 WeakPolarHBondContact O-CB 3.49Å; S201-E204 PolarHBondContact O-N 3.05Å; S201-E204 WeakPolarHBondContact OG-CB 3.21Å; S201-E204 PolarHBondContact OG-N 2.85Å; P202-E204 VanDerWaalsContact C-N 3.31Å; P202-E204 PolarHBondContact O-N 3.14Å; E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 3.18Å; E204-R207 WeakPolarHBondContact O-CB 3.44Å; E204-R207 PolarHBondContact O-N 2.83Å; E204-R207 IonicContact OE1-CZ 3.98Å; E204-R207 IonicContact OE1-NE 3.58Å; E204-R207 IonicContact OE1-NH2 3.46Å; E204-R207 PolarHBondContact OE1-NH2 3.46Å; E204-R207 IonicContact OE2-CZ 3.95Å; E204-R207 IonicContact OE2-NE 2.9Å; E204-R207 PolarHBondContact OE2-NE 3.18Å; E204-R207 IonicContact OE2-NH2 3.18Å; E204-R207 PolarHBondContact OE2-NH2 2.97Å; E204-R208 WeakPolarHBondContact O-CG 3.39Å; E204-R208 PolarHBondContact O-N 2.87Å; E204-R208 IonicContact OE1-CZ 3.15Å; E204-R208 IonicContact OE1-NE 2.62Å; E204-R208 PolarHBondContact OE1-NE 3.28Å; E204-R208 IonicContact OE1-NH2 2.74Å; E204-R208 PolarHBondContact OE1-NH2 3.46Å
205K93.5Very high91.8Very high31 Ų3162.6 Ų62.614%0.13532%0.315CS..Hα-helixtrans-55.1-49172.1-65.3-178.5-178.5-172.90110.9M194 V195 S198 C200 S201 P202 R207 R208 I209 P233M194-K205 HydrophobicContact CE-CB 4.44Å; V195-K205 HydrophobicContact CG1-CD 4.38Å; V195-K205 WeakPolarHBondContact O-CE 3.49Å; V195-K205 PolarHBondContact O-NZ 3.49Å; S198-K205 WeakPolarHBondContact O-CE 3.36Å; S198-K205 PolarHBondContact O-NZ 3.42Å; S198-K205 WeakPolarHBondContact OG-CE 3.41Å; C200-K205 WeakPolarHBondContact O-CE 3.38Å; C200-K205 WeakPolarHBondContact SG-CG 3.34Å; S201-K205 PolarHBondContact O-N 3.43Å; P202-K205 PolarHBondContact O-N 2.71Å; K205-R207 PolarHBondContact O-N 3.36Å; K205-R208 PolarHBondContact O-N 3.23Å; K205-I209 WeakPolarHBondContact O-CG1 3.38Å; K205-I209 PolarHBondContact O-N 3.24Å; K205-P233 HydrophobicContact CB-CB 3.96Å; K205-P233 HydrophobicContact CB-CG 3.68Å; K205-P233 HydrophobicContact CD-CG 4.4Å
206R93.4Very high92Very high25 Ų2564.7 Ų64.79%0.09433%0.329CS..Hα-helixtrans-60.6-41.5176.5-174.6172.966.7175.74.7112.6P202 E204 I209 M210 P229 V231 P233P202-R206 WeakPolarHBondContact O-CB 3.45Å; P202-R206 PolarHBondContact O-N 3.23Å; E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 3.18Å; R206-I209 PolarHBondContact O-N 2.89Å; R206-M210 HydrophobicContact CG-CE 4.25Å; R206-M210 WeakPolarHBondContact O-CG 3.28Å; R206-M210 PolarHBondContact O-N 3.47Å; R206-P229 PolarHBondContact NH1-O 3.4Å; R206-P229 PolarHBondContact NH2-O 3.43Å; R206-V231 WeakPolarHBondContact CD-O 3.44Å; R206-V231 PolarHBondContact NH1-O 3.32Å; R206-V231 VanDerWaalsContact NH1-O 3.07Å; R206-P233 HydrophobicContact CB-CG 4.5Å
207R92.1Very high92.4Very high98 Ų9857 Ų5737%0.3729%0.293SS..Hα-helixtrans-59.5-46.6175.1-176.2179.167.8101.6-11.6111.2K203 E204 K205 I209 M210 E211K203-R207 WeakPolarHBondContact O-CB 3.28Å; K203-R207 PolarHBondContact O-N 3.45Å; E204-R207 WeakPolarHBondContact O-CB 3.44Å; E204-R207 PolarHBondContact O-N 2.83Å; E204-R207 IonicContact OE1-CZ 3.98Å; E204-R207 IonicContact OE1-NE 3.58Å; E204-R207 IonicContact OE1-NH2 3.46Å; E204-R207 PolarHBondContact OE1-NH2 3.46Å; E204-R207 IonicContact OE2-CZ 3.95Å; E204-R207 IonicContact OE2-NE 2.9Å; E204-R207 PolarHBondContact OE2-NE 3.18Å; E204-R207 IonicContact OE2-NH2 3.18Å; E204-R207 PolarHBondContact OE2-NH2 2.97Å; K205-R207 PolarHBondContact O-N 3.36Å; R207-I209 PolarHBondContact O-N 3.4Å; R207-M210 PolarHBondContact O-N 3Å; R207-E211 HydrophobicContact CG-CG 4.29Å; R207-E211 WeakPolarHBondContact CG-OE1 3.49Å; R207-E211 IonicContact CZ-OE1 3.88Å; R207-E211 IonicContact NE-OE1 3.53Å; R207-E211 IonicContact NH1-OE1 2.76Å; R207-E211 PolarHBondContact NH1-OE1 3.02Å; R207-E211 IonicContact NH1-OE2 3.13Å; R207-E211 WeakPolarHBondContact O-CB 3.5Å; R207-E211 WeakPolarHBondContact O-CG 3.38Å; R207-E211 PolarHBondContact O-N 2.79Å
208R94.1Very high92.9Very high53 Ų5354.6 Ų54.620%0.228%0.277CS..Hα-helixtrans-63.5-40179.3-69.9175-172.3166.20.2112.9M194 C200 E204 K205 E211 S212M194-R208 HydrophobicContact CE-CB 4.43Å; M194-R208 HydrophobicContact SD-CB 3.68Å; M194-R208 HydrophobicContact SD-CG 4.5Å; C200-R208 PolarHBondContact SG-NH1 3.4Å; E204-R208 WeakPolarHBondContact O-CG 3.39Å; E204-R208 PolarHBondContact O-N 2.87Å; E204-R208 IonicContact OE1-CZ 3.15Å; E204-R208 IonicContact OE1-NE 2.62Å; E204-R208 PolarHBondContact OE1-NE 3.28Å; E204-R208 IonicContact OE1-NH2 2.74Å; E204-R208 PolarHBondContact OE1-NH2 3.46Å; K205-R208 PolarHBondContact O-N 3.23Å; R208-E211 PolarHBondContact O-N 3.27Å; R208-S212 PolarHBondContact O-N 2.84Å
209I95.4Very high93.4Very high0 Ų060.4 Ų60.40%030%0.303CS..Hα-helixtrans-56.6-57.8171.4-68.1166.7000108.7W187 M194 V195 K205 R206 R207 E211 S212 L213 P233 L237 L240W187-I209 HydrophobicContact CH2-CG2 4.16Å; W187-I209 HydrophobicContact CZ2-CG2 4.43Å; M194-I209 HydrophobicContact CE-CD1 4.4Å; M194-I209 HydrophobicContact CE-CG1 3.9Å; V195-I209 HydrophobicContact CG2-CD1 3.85Å; K205-I209 WeakPolarHBondContact O-CG1 3.38Å; K205-I209 PolarHBondContact O-N 3.24Å; R206-I209 PolarHBondContact O-N 2.89Å; R207-I209 PolarHBondContact O-N 3.4Å; I209-E211 VanDerWaalsContact C-N 3.34Å; I209-E211 PolarHBondContact O-N 3.21Å; I209-S212 PolarHBondContact O-N 3.49Å; I209-S212 PolarHBondContact O-OG 3.44Å; I209-L213 HydrophobicContact CG2-CD1 4.03Å; I209-L213 WeakPolarHBondContact O-CG 2.85Å; I209-L213 PolarHBondContact O-N 3.12Å; I209-P233 HydrophobicContact CD1-CB 3.99Å; I209-L237 HydrophobicContact CD1-CD2 3.93Å; I209-L237 HydrophobicContact CD1-CG 4.15Å; I209-L237 HydrophobicContact CG1-CD2 4.27Å; I209-L237 HydrophobicContact CG2-CD2 4.4Å; I209-L240 HydrophobicContact CG2-CD1 4.42Å
210M94.6Very high94Very high37 Ų3752.8 Ų52.818%0.18227%0.27CS..Hα-helixtrans-58.8-39.3-178.4-69.5-174.4-60.900114R206 R207 S212 L213 I221 R225R206-M210 HydrophobicContact CG-CE 4.25Å; R206-M210 WeakPolarHBondContact O-CG 3.28Å; R206-M210 PolarHBondContact O-N 3.47Å; R207-M210 PolarHBondContact O-N 3Å; M210-S212 PolarHBondContact O-N 3.08Å; M210-L213 PolarHBondContact O-N 3.47Å; M210-L213 VanDerWaalsContact O-N 3.13Å; M210-I221 HydrophobicContact CG-CG2 3.84Å; M210-I221 HydrophobicContact SD-CG2 4.28Å; M210-R225 VanDerWaalsContact SD-CD 3.59Å; M210-R225 PolarHBondContact SD-NH1 3.19Å
211E94.6Very high94.5Very high88 Ų8851.4 Ų51.441%0.41126%0.261SS..Hα-helixtrans-66.7-20178.5-77.5178.8-176.500113.8R207 R208 I209R207-E211 HydrophobicContact CG-CG 4.29Å; R207-E211 WeakPolarHBondContact CG-OE1 3.49Å; R207-E211 IonicContact CZ-OE1 3.88Å; R207-E211 IonicContact NE-OE1 3.53Å; R207-E211 IonicContact NH1-OE1 2.76Å; R207-E211 PolarHBondContact NH1-OE1 3.02Å; R207-E211 IonicContact NH1-OE2 3.13Å; R207-E211 WeakPolarHBondContact O-CB 3.5Å; R207-E211 WeakPolarHBondContact O-CG 3.38Å; R207-E211 PolarHBondContact O-N 2.79Å; R208-E211 PolarHBondContact O-N 3.27Å; I209-E211 VanDerWaalsContact C-N 3.34Å; I209-E211 PolarHBondContact O-N 3.21Å
212S96.2Very high94.7Very high3 Ų354 Ų542%0.02126%0.264CS..Hα-helixtrans-89.9-13175.777.80000112.8R169 T170 F171 W187 R208 I209 M210R169-S212 WeakPolarHBondContact O-CB 3.47Å; T170-S212 CarbonylContact C-O 3.54Å; T170-S212 WeakPolarHBondContact CA-O 3.45Å; F171-S212 PolarHBondContact N-O 3.16Å; W187-S212 VanDerWaalsContact CZ2-OG 3.24Å; W187-S212 WeakPolarHBondContact CZ2-OG 3.44Å; W187-S212 PolarHBondContact NE1-OG 2.99Å; R208-S212 PolarHBondContact O-N 2.84Å; I209-S212 PolarHBondContact O-N 3.49Å; I209-S212 PolarHBondContact O-OG 3.44Å; M210-S212 PolarHBondContact O-N 3.08Å
213L96.9Very high94.8Very high6 Ų652.4 Ų52.43%0.03126%0.258CS..BIsolated β-bridgetrans-92.8147.2-178.2-61173.9000112.5F171 W187 I209 M210 A217 L218 I221 L240F171-L213 HydrophobicContact CB-CD2 4.43Å; F171-L213 HydrophobicContact CD1-CD2 3.74Å; F171-L213 CarbonylContact O-C 3.51Å; F171-L213 WeakPolarHBondContact O-CA 3.45Å; W187-L213 HydrophobicContact CH2-CD2 3.66Å; W187-L213 HydrophobicContact CH2-CG 4.44Å; W187-L213 HydrophobicContact CZ2-CD2 3.45Å; W187-L213 VanDerWaalsContact CZ2-CD2 3.45Å; W187-L213 HydrophobicContact CZ2-CG 4.14Å; W187-L213 HydrophobicContact CZ3-CD2 4.35Å; I209-L213 HydrophobicContact CG2-CD1 4.03Å; I209-L213 WeakPolarHBondContact O-CG 2.85Å; I209-L213 PolarHBondContact O-N 3.12Å; M210-L213 PolarHBondContact O-N 3.47Å; M210-L213 VanDerWaalsContact O-N 3.13Å; L213-A217 HydrophobicContact CD2-CB 3.96Å; L213-L218 HydrophobicContact CB-CB 3.95Å; L213-L218 HydrophobicContact CB-CD1 4.15Å; L213-I221 HydrophobicContact CD1-CB 4.23Å; L213-I221 HydrophobicContact CD1-CG1 3.51Å; L213-L240 HydrophobicContact CD1-CD1 3.82Å; L213-L240 HydrophobicContact CD1-CD2 4.36Å; L213-L240 HydrophobicContact CD2-CD1 4.11Å; L213-L240 HydrophobicContact CD2-CD2 4.49Å
214K95.7Very high95Very high109 Ų10946.9 Ų46.947%0.47424%0.237SC..  trans-138.2172.2171.4-70-172.1-174.5169.40110.9T170 F171 S172 A217 L218T170-K214 HydrophobicContact CG2-CB 4.39Å; T170-K214 HydrophobicContact CG2-CD 3.56Å; T170-K214 HydrophobicContact CG2-CG 3.77Å; F171-K214 PolarHBondContact O-N 2.99Å; S172-K214 CarbonylContact C-O 3.56Å; S172-K214 VanDerWaalsContact CA-O 3.27Å; S172-K214 WeakPolarHBondContact CA-O 3.47Å; S172-K214 VanDerWaalsContact O-O 3.06Å; K214-A217 PolarHBondContact O-N 2.84Å; K214-L218 PolarHBondContact O-N 3.19Å; K214-L218 VanDerWaalsContact O-N 3.15Å
215G95.6Very high95Very high33 Ų3349.9 Ų49.934%0.3425%0.247SC..Hα-helixtrans51.3-140.5169.600000113.7A217 L218 E219G215-A217 PolarHBondContact O-N 3.2Å; G215-L218 PolarHBondContact O-N 3.01Å; G215-L218 VanDerWaalsContact O-N 3.16Å; G215-E219 PolarHBondContact O-N 3.15Å
216P95.9Very high95Very high51 Ų5155.6 Ų55.633%0.33128%0.279SS..Hα-helixtrans-49.7-39.6176.2-30.234.3000114.4S172 I174 L218 E219 V220 F244S172-P216 WeakPolarHBondContact O-CD 3.04Å; I174-P216 HydrophobicContact CG1-CG 4.36Å; P216-L218 PolarHBondContact O-N 3.14Å; P216-E219 WeakPolarHBondContact O-CB 3.46Å; P216-E219 PolarHBondContact O-N 3.1Å; P216-V220 PolarHBondContact O-N 2.63Å; P216-V220 VanDerWaalsContact O-N 3.13Å; P216-F244 HydrophobicContact CB-CE1 4.09Å; P216-F244 HydrophobicContact CB-CZ 3.87Å
217A96.5Very high95Very high0 Ų059.6 Ų59.60%031%0.31CS..Hα-helixtrans-65.5-38.7-177.600000112.8F171 S172 L213 K214 G215 L240 F244F171-A217 HydrophobicContact CD1-CB 3.6Å; F171-A217 HydrophobicContact CE1-CB 3.42Å; F171-A217 VanDerWaalsContact CE1-CB 3.42Å; F171-A217 HydrophobicContact CZ-CB 4.33Å; S172-A217 PolarHBondContact O-N 3.24Å; S172-A217 VanDerWaalsContact O-N 3.11Å; L213-A217 HydrophobicContact CD2-CB 3.96Å; K214-A217 PolarHBondContact O-N 2.84Å; G215-A217 PolarHBondContact O-N 3.2Å; A217-L240 HydrophobicContact CB-CD2 4.24Å; A217-F244 HydrophobicContact CB-CE2 3.92Å; A217-F244 HydrophobicContact CB-CZ 4.05Å
218L96.6Very high95.1Very high40 Ų4058.1 Ų58.121%0.20931%0.31CS..Hα-helixtrans-70.4-33.3174.8-178.561.6000112.1L213 K214 G215 P216 I221 K222L213-L218 HydrophobicContact CB-CB 3.95Å; L213-L218 HydrophobicContact CB-CD1 4.15Å; K214-L218 PolarHBondContact O-N 3.19Å; K214-L218 VanDerWaalsContact O-N 3.15Å; G215-L218 PolarHBondContact O-N 3.01Å; G215-L218 VanDerWaalsContact O-N 3.16Å; P216-L218 PolarHBondContact O-N 3.14Å; L218-I221 PolarHBondContact O-N 2.83Å; L218-K222 HydrophobicContact CG-CD 4.28Å; L218-K222 WeakPolarHBondContact O-CG 3.37Å; L218-K222 PolarHBondContact O-N 3.28Å
219E96.4Very high94.9Very high129 Ų12959.3 Ų59.360%0.60333%0.325SS*.Hα-helixtrans-64.3-41.2178-70.6172.9-173.900111.9G215 P216 K222 A223G215-E219 PolarHBondContact O-N 3.15Å; P216-E219 WeakPolarHBondContact O-CB 3.46Å; P216-E219 PolarHBondContact O-N 3.1Å; E219-K222 PolarHBondContact O-N 3.12Å; E219-A223 PolarHBondContact O-N 2.85Å
220V96.1Very high94.6Very high40 Ų4065.9 Ų65.924%0.24236%0.36CS..Hα-helixtrans-57.1-52.3175.1171.60000111P216 K222 A223 V224 A243 F244P216-V220 PolarHBondContact O-N 2.63Å; P216-V220 VanDerWaalsContact O-N 3.13Å; V220-K222 VanDerWaalsContact C-N 3.32Å; V220-K222 PolarHBondContact O-N 3.14Å; V220-A223 WeakPolarHBondContact O-CB 3.45Å; V220-A223 PolarHBondContact O-N 2.65Å; V220-A223 VanDerWaalsContact O-N 3.11Å; V220-V224 WeakPolarHBondContact O-CG2 3.36Å; V220-V224 PolarHBondContact O-N 3.18Å; V220-A243 HydrophobicContact CG1-CB 4.06Å; V220-A243 HydrophobicContact CG2-CB 4Å; V220-F244 HydrophobicContact CB-CE2 4.39Å; V220-F244 HydrophobicContact CG2-CE2 3.82Å; V220-F244 HydrophobicContact CG2-CZ 4.13Å
221I95.8Very high94.6Very high0 Ų064.4 Ų64.40%035%0.353CS..Hα-helixtrans-65.1-36.1-179.8-64.8-55.2000112.2M210 L213 L218 A223 V224 R225 C236 A239 L240M210-I221 HydrophobicContact CG-CG2 3.84Å; M210-I221 HydrophobicContact SD-CG2 4.28Å; L213-I221 HydrophobicContact CD1-CB 4.23Å; L213-I221 HydrophobicContact CD1-CG1 3.51Å; L218-I221 PolarHBondContact O-N 2.83Å; I221-A223 VanDerWaalsContact C-N 3.32Å; I221-A223 PolarHBondContact O-N 3.2Å; I221-V224 PolarHBondContact O-N 3.25Å; I221-R225 HydrophobicContact CG2-CG 4.35Å; I221-R225 WeakPolarHBondContact O-CB 3.02Å; I221-R225 VanDerWaalsContact O-CG 3.32Å; I221-R225 WeakPolarHBondContact O-CG 3.42Å; I221-R225 PolarHBondContact O-N 2.6Å; I221-C236 HydrophobicContact CD1-CB 3.84Å; I221-C236 VanDerWaalsContact CD1-O 3.3Å; I221-C236 WeakPolarHBondContact CD1-O 3.36Å; I221-A239 HydrophobicContact CD1-CB 4.48Å; I221-L240 HydrophobicContact CD1-CD1 3.92Å; I221-L240 HydrophobicContact CD1-CD2 4.24Å; I221-L240 HydrophobicContact CD1-CG 3.72Å; I221-L240 HydrophobicContact CG1-CD1 3.99Å; I221-L240 HydrophobicContact CG1-CD2 4.06Å; I221-L240 HydrophobicContact CG1-CG 4.01Å
222K94.4Very high94.6Very high120 Ų12061.7 Ų61.752%0.52234%0.344SS..Hα-helixtrans-61.6-41.7173.4-77.1175.1176.7176.70111.5L218 E219 V220 R225 L226L218-K222 HydrophobicContact CG-CD 4.28Å; L218-K222 WeakPolarHBondContact O-CG 3.37Å; L218-K222 PolarHBondContact O-N 3.28Å; E219-K222 PolarHBondContact O-N 3.12Å; V220-K222 VanDerWaalsContact C-N 3.32Å; V220-K222 PolarHBondContact O-N 3.14Å; K222-R225 PolarHBondContact O-N 3.23Å; K222-L226 WeakPolarHBondContact O-CG 3.43Å; K222-L226 PolarHBondContact O-N 3.11Å
223A94.8Very high94.6Very high54 Ų5461.7 Ų61.745%0.44634%0.344SS..Hα-helixtrans-64.9-43.2177.500000112.2E219 V220 I221 R225 L226 S227E219-A223 PolarHBondContact O-N 2.85Å; V220-A223 WeakPolarHBondContact O-CB 3.45Å; V220-A223 PolarHBondContact O-N 2.65Å; V220-A223 VanDerWaalsContact O-N 3.11Å; I221-A223 VanDerWaalsContact C-N 3.32Å; I221-A223 PolarHBondContact O-N 3.2Å; A223-R225 VanDerWaalsContact C-N 3.33Å; A223-R225 PolarHBondContact O-N 3.49Å; A223-L226 PolarHBondContact O-N 2.86Å; A223-S227 PolarHBondContact O-N 2.89Å; A223-S227 PolarHBondContact O-OG 3.28Å
224V94.4Very high94.5Very high40 Ų4065.2 Ų65.224%0.24236%0.36CS..Hα-helixtrans-58.3-47.6174175.40000110.3V220 I221 L226 S227 D228 V231 A239V220-V224 WeakPolarHBondContact O-CG2 3.36Å; V220-V224 PolarHBondContact O-N 3.18Å; I221-V224 PolarHBondContact O-N 3.25Å; V224-L226 VanDerWaalsContact C-N 3.3Å; V224-L226 PolarHBondContact O-N 2.78Å; V224-S227 WeakPolarHBondContact O-CB 3.25Å; V224-S227 PolarHBondContact O-N 2.81Å; V224-D228 PolarHBondContact O-N 3.16Å; V224-V231 HydrophobicContact CG1-CB 4.34Å; V224-V231 HydrophobicContact CG1-CG1 4.45Å; V224-V231 HydrophobicContact CG1-CG2 3.8Å; V224-A239 HydrophobicContact CG2-CB 3.79Å
225R93Very high94.5Very high90 Ų9064.3 Ų64.334%0.3436%0.357SS..Hα-helixtrans-66.8-25.1-179.9-73.3-172.769.9-145.1-7.6115.2M210 I221 K222 A223 S227 D228 V231M210-R225 VanDerWaalsContact SD-CD 3.59Å; M210-R225 PolarHBondContact SD-NH1 3.19Å; I221-R225 HydrophobicContact CG2-CG 4.35Å; I221-R225 WeakPolarHBondContact O-CB 3.02Å; I221-R225 VanDerWaalsContact O-CG 3.32Å; I221-R225 WeakPolarHBondContact O-CG 3.42Å; I221-R225 PolarHBondContact O-N 2.6Å; K222-R225 PolarHBondContact O-N 3.23Å; A223-R225 VanDerWaalsContact C-N 3.33Å; A223-R225 PolarHBondContact O-N 3.49Å; R225-S227 VanDerWaalsContact C-N 3.27Å; R225-D228 WeakPolarHBondContact CA-O 3.32Å; R225-D228 CarbonylContact O-C 3.39Å; R225-V231 HydrophobicContact CG-CG1 3.64Å
226L93.3Very high94.5Very high151 Ų15162.8 Ų62.879%0.79134%0.341SS*.Hα-helixtrans-69.8-30.5172.8-75.8170.5000111.5K222 A223 V224K222-L226 WeakPolarHBondContact O-CG 3.43Å; K222-L226 PolarHBondContact O-N 3.11Å; A223-L226 PolarHBondContact O-N 2.86Å; V224-L226 VanDerWaalsContact C-N 3.3Å; V224-L226 PolarHBondContact O-N 2.78Å
227S93.4Very high94.5Very high109 Ų10960.3 Ų60.376%0.76233%0.325SS*.Hα-helixtrans-84.1-39.3177.4-51.50000111.3A223 V224 R225A223-S227 PolarHBondContact O-N 2.89Å; A223-S227 PolarHBondContact O-OG 3.28Å; V224-S227 WeakPolarHBondContact O-CB 3.25Å; V224-S227 PolarHBondContact O-N 2.81Å; R225-S227 VanDerWaalsContact C-N 3.27Å
228D92.9Very high94.3Very high67 Ų6766.1 Ų66.136%0.35835%0.353SS..  trans-134.6102.5177.4-175.8-3.3000111.9V224 R225 D230 V231V224-D228 PolarHBondContact O-N 3.16Å; R225-D228 WeakPolarHBondContact CA-O 3.32Å; R225-D228 CarbonylContact O-C 3.39Å; D228-D230 PolarHBondContact O-N 3.17Å; D228-D230 PolarHBondContact OD1-N 3.09Å; D228-V231 HydrophobicContact CB-CB 4.36Å; D228-V231 PolarHBondContact O-N 2.98Å; D228-V231 PolarHBondContact OD1-N 3.04Å
229P90.1Very high94.2Very high79 Ų7965.3 Ų65.351%0.51335%0.352SS..THydrogen-bonded Turntrans-63.6-23.4178.6-23.935.2000114.8R206R206-P229 PolarHBondContact NH1-O 3.4Å; R206-P229 PolarHBondContact NH2-O 3.43Å
230D89.9Confident94.2Very high138 Ų13859.2 Ų59.274%0.73832%0.323SS*.THydrogen-bonded Turntrans-107.510.7-173.3-70.3-35.7000113.4D228 S232D228-D230 PolarHBondContact O-N 3.17Å; D228-D230 PolarHBondContact OD1-N 3.09Å; D230-S232 PolarHBondContact O-N 3.07Å
231V94.3Very high94Very high5 Ų559.4 Ų59.43%0.0332%0.323CS..  trans-41.1132.8173.966.60000112.5R206 V224 R225 D228 E235R206-V231 WeakPolarHBondContact CD-O 3.44Å; R206-V231 PolarHBondContact NH1-O 3.32Å; R206-V231 VanDerWaalsContact NH1-O 3.07Å; V224-V231 HydrophobicContact CG1-CB 4.34Å; V224-V231 HydrophobicContact CG1-CG1 4.45Å; V224-V231 HydrophobicContact CG1-CG2 3.8Å; R225-V231 HydrophobicContact CG-CG1 3.64Å; D228-V231 HydrophobicContact CB-CB 4.36Å; D228-V231 PolarHBondContact O-N 2.98Å; D228-V231 PolarHBondContact OD1-N 3.04Å; V231-E235 HydrophobicContact CG2-CB 3.53Å; V231-E235 WeakPolarHBondContact CG2-OE2 3.41Å
232S95.2Very high93.8Very high32 Ų3264.6 Ų64.622%0.22436%0.359CS..  trans-72.8158.2-177.7101.80000111.6D230 E234 E235 C236D230-S232 PolarHBondContact O-N 3.07Å; S232-E234 WeakPolarHBondContact CB-OE2 3.13Å; S232-E234 PolarHBondContact O-N 3.38Å; S232-E234 PolarHBondContact OG-N 3.49Å; S232-E234 VanDerWaalsContact OG-N 3.17Å; S232-E234 PolarHBondContact OG-OE2 2.85Å; S232-E235 PolarHBondContact N-OE2 3.32Å; S232-E235 PolarHBondContact O-N 2.54Å; S232-E235 PolarHBondContact OG-N 2.86Å; S232-E235 VanDerWaalsContact OG-N 3.11Å; S232-C236 PolarHBondContact O-N 3.19Å; S232-C236 PolarHBondContact O-SG 3.25Å
233P95.4Very high93.7Very high3 Ų361.3 Ų61.32%0.01935%0.354CS..Hα-helixtrans-55.9-38171.4-24.735.1000113.2V195 P202 K205 R206 I209 C236 L237V195-P233 HydrophobicContact CG1-CB 4.09Å; V195-P233 HydrophobicContact CG2-CB 3.93Å; P202-P233 HydrophobicContact CB-CG 4.11Å; P202-P233 WeakPolarHBondContact O-CG 3.46Å; K205-P233 HydrophobicContact CB-CB 3.96Å; K205-P233 HydrophobicContact CB-CG 3.68Å; K205-P233 HydrophobicContact CD-CG 4.4Å; R206-P233 HydrophobicContact CB-CG 4.5Å; I209-P233 HydrophobicContact CD1-CB 3.99Å; P233-C236 WeakPolarHBondContact O-CB 3.36Å; P233-C236 PolarHBondContact O-N 3.33Å; P233-L237 WeakPolarHBondContact O-CG 3.46Å; P233-L237 PolarHBondContact O-N 3.47Å
234E95.3Very high93.6Very high80 Ų8061.2 Ų61.237%0.37434%0.344SS..Hα-helixtrans-67.5-48179.9-57.571.9-154.600110.7V195 S232 C236 L237 E238V195-E234 HydrophobicContact CG1-CG 4.16Å; V195-E234 WeakPolarHBondContact CG1-OE1 3.33Å; S232-E234 WeakPolarHBondContact CB-OE2 3.13Å; S232-E234 PolarHBondContact O-N 3.38Å; S232-E234 PolarHBondContact OG-N 3.49Å; S232-E234 VanDerWaalsContact OG-N 3.17Å; S232-E234 PolarHBondContact OG-OE2 2.85Å; E234-C236 PolarHBondContact O-N 3.3Å; E234-L237 WeakPolarHBondContact O-CA 3.44Å; E234-L237 WeakPolarHBondContact O-CB 3.45Å; E234-L237 PolarHBondContact O-N 2.96Å; E234-E238 PolarHBondContact O-N 3.4Å
235E94.6Very high93.3Very high90 Ų9060.2 Ų60.242%0.42134%0.342SS..Hα-helixtrans-61-31.8175.6-68.7170.6157.600112V231 S232 A239V231-E235 HydrophobicContact CG2-CB 3.53Å; V231-E235 WeakPolarHBondContact CG2-OE2 3.41Å; S232-E235 PolarHBondContact N-OE2 3.32Å; S232-E235 PolarHBondContact O-N 2.54Å; S232-E235 PolarHBondContact OG-N 2.86Å; S232-E235 VanDerWaalsContact OG-N 3.11Å; E235-A239 WeakPolarHBondContact O-CB 3.28Å; E235-A239 PolarHBondContact O-N 3.14Å
236C95.3Very high92.8Very high0 Ų060.2 Ų60.20%035%0.347CS..Hα-helixtrans-63.8-43.2171.1-65.80000111.7I221 S232 P233 E234 L240I221-C236 HydrophobicContact CD1-CB 3.84Å; I221-C236 VanDerWaalsContact CD1-O 3.3Å; I221-C236 WeakPolarHBondContact CD1-O 3.36Å; S232-C236 PolarHBondContact O-N 3.19Å; S232-C236 PolarHBondContact O-SG 3.25Å; P233-C236 WeakPolarHBondContact O-CB 3.36Å; P233-C236 PolarHBondContact O-N 3.33Å; E234-C236 PolarHBondContact O-N 3.3Å; C236-L240 WeakPolarHBondContact O-CG 3.46Å; C236-L240 PolarHBondContact O-N 3.11Å; C236-L240 VanDerWaalsContact O-N 3.16Å
237L95.9Very high92.2Very high0 Ų058.2 Ų58.20%035%0.352CS..Hα-helixtrans-68.8-39.1178.4-62.5-176.8000111.6W187 L188 A191 Y192 V195 I209 P233 E234 L240 D241W187-L237 HydrophobicContact CH2-CD2 3.98Å; W187-L237 HydrophobicContact CZ3-CD2 4.18Å; L188-L237 HydrophobicContact CD1-CB 4.24Å; L188-L237 HydrophobicContact CD1-CD2 4.36Å; A191-L237 HydrophobicContact CB-CD1 4.24Å; A191-L237 HydrophobicContact CB-CD2 3.58Å; Y192-L237 HydrophobicContact CD1-CD1 3.53Å; Y192-L237 HydrophobicContact CD2-CD1 4.19Å; Y192-L237 HydrophobicContact CE1-CB 4.01Å; Y192-L237 HydrophobicContact CE1-CD1 3.7Å; Y192-L237 HydrophobicContact CE2-CB 4.24Å; Y192-L237 HydrophobicContact CE2-CD1 4.35Å; Y192-L237 HydrophobicContact CG-CD1 3.78Å; V195-L237 HydrophobicContact CB-CD1 4.4Å; V195-L237 HydrophobicContact CG2-CD1 3.86Å; I209-L237 HydrophobicContact CD1-CD2 3.93Å; I209-L237 HydrophobicContact CD1-CG 4.15Å; I209-L237 HydrophobicContact CG1-CD2 4.27Å; I209-L237 HydrophobicContact CG2-CD2 4.4Å; P233-L237 WeakPolarHBondContact O-CG 3.46Å; P233-L237 PolarHBondContact O-N 3.47Å; E234-L237 WeakPolarHBondContact O-CA 3.44Å; E234-L237 WeakPolarHBondContact O-CB 3.45Å; E234-L237 PolarHBondContact O-N 2.96Å; L237-L240 PolarHBondContact O-N 2.74Å; L237-D241 PolarHBondContact O-N 3.18Å
238E93.5Very high91.9Very high122 Ų12257 Ų5757%0.5733%0.334SS*.Hα-helixtrans-62.4-42.9174.4-71.3178.9-173.800111.9E234 L240 D241 S242E234-E238 PolarHBondContact O-N 3.4Å; E238-L240 VanDerWaalsContact C-N 3.27Å; E238-L240 PolarHBondContact O-N 3.49Å; E238-D241 PolarHBondContact O-N 3.3Å; E238-S242 WeakPolarHBondContact O-CB 3.44Å; E238-S242 PolarHBondContact O-N 2.92Å
239A94.9Very high91.9Very high23 Ų2356.2 Ų56.219%0.1933%0.334CS..Hα-helixtrans-62-36.2175.500000112.3I221 V224 E235 A243I221-A239 HydrophobicContact CD1-CB 4.48Å; V224-A239 HydrophobicContact CG2-CB 3.79Å; E235-A239 WeakPolarHBondContact O-CB 3.28Å; E235-A239 PolarHBondContact O-N 3.14Å; A239-A243 WeakPolarHBondContact O-CB 3.3Å; A239-A243 PolarHBondContact O-N 3.04Å; A239-A243 VanDerWaalsContact O-N 3.12Å
240L95.3Very high91.9Very high0 Ų052.8 Ų52.80%031%0.313CS..Hα-helixtrans-72-40.6175.1-72.4165.3000112.3F184 W187 I209 L213 A217 I221 C236 L237 E238 S242 A243 F244F184-L240 HydrophobicContact CE2-CB 4.16Å; F184-L240 HydrophobicContact CZ-CB 4.45Å; F184-L240 WeakPolarHBondContact CZ-O 3.47Å; W187-L240 HydrophobicContact CH2-CD1 3.52Å; W187-L240 HydrophobicContact CZ3-CD1 3.72Å; I209-L240 HydrophobicContact CG2-CD1 4.42Å; L213-L240 HydrophobicContact CD1-CD1 3.82Å; L213-L240 HydrophobicContact CD1-CD2 4.36Å; L213-L240 HydrophobicContact CD2-CD1 4.11Å; L213-L240 HydrophobicContact CD2-CD2 4.49Å; A217-L240 HydrophobicContact CB-CD2 4.24Å; I221-L240 HydrophobicContact CD1-CD1 3.92Å; I221-L240 HydrophobicContact CD1-CD2 4.24Å; I221-L240 HydrophobicContact CD1-CG 3.72Å; I221-L240 HydrophobicContact CG1-CD1 3.99Å; I221-L240 HydrophobicContact CG1-CD2 4.06Å; I221-L240 HydrophobicContact CG1-CG 4.01Å; C236-L240 WeakPolarHBondContact O-CG 3.46Å; C236-L240 PolarHBondContact O-N 3.11Å; C236-L240 VanDerWaalsContact O-N 3.16Å; L237-L240 PolarHBondContact O-N 2.74Å; E238-L240 VanDerWaalsContact C-N 3.27Å; E238-L240 PolarHBondContact O-N 3.49Å; L240-S242 VanDerWaalsContact C-N 3.3Å; L240-S242 PolarHBondContact O-N 2.84Å; L240-A243 PolarHBondContact O-N 3.48Å; L240-A243 VanDerWaalsContact O-N 3.16Å; L240-F244 HydrophobicContact CD2-CD2 3.99Å; L240-F244 HydrophobicContact CD2-CE2 3.97Å; L240-F244 PolarHBondContact O-N 2.86Å
241D92.8Very high92.1Very high45 Ų4551.2 Ų51.224%0.24130%0.304CS..Hα-helixtrans-62.2-39173-168.547.5000111.2F184 L188 L237 E238 A243 G245 K285F184-D241 HydrophobicContact CZ-CB 4.4Å; L188-D241 HydrophobicContact CD2-CB 4.08Å; L237-D241 PolarHBondContact O-N 3.18Å; E238-D241 PolarHBondContact O-N 3.3Å; D241-A243 VanDerWaalsContact C-N 3.3Å; D241-A243 PolarHBondContact O-N 2.97Å; D241-G245 WeakPolarHBondContact O-CA 3.32Å; D241-G245 PolarHBondContact O-N 3.38Å; D241-K285 IonicContact OD1-NZ 2.88Å; D241-K285 IonicContact OD2-NZ 3.85Å; D241-K285 PolarHBondContact OD2-NZ 3.39Å
242S91.4Very high92.2Very high108 Ų10854.8 Ų54.876%0.75532%0.324SS*.Hα-helixtrans-65.2-31.6174.1-176.90000113.3E238 L240E238-S242 WeakPolarHBondContact O-CB 3.44Å; E238-S242 PolarHBondContact O-N 2.92Å; L240-S242 VanDerWaalsContact C-N 3.3Å; L240-S242 PolarHBondContact O-N 2.84Å
243A92.8Very high92.2Very high52 Ų5254 Ų5443%0.4332%0.317SS..Hα-helixtrans-91.3-35-175.300000113.8V220 A239 L240 D241V220-A243 HydrophobicContact CG1-CB 4.06Å; V220-A243 HydrophobicContact CG2-CB 4Å; A239-A243 WeakPolarHBondContact O-CB 3.3Å; A239-A243 PolarHBondContact O-N 3.04Å; A239-A243 VanDerWaalsContact O-N 3.12Å; L240-A243 PolarHBondContact O-N 3.48Å; L240-A243 VanDerWaalsContact O-N 3.16Å; D241-A243 VanDerWaalsContact C-N 3.3Å; D241-A243 PolarHBondContact O-N 2.97Å
244F92.6Very high92.2Very high52 Ų5256.7 Ų56.723%0.22833%0.327CS..Hα-helixtrans-124-8.6-172.5-61.4-79.7000113.9F171 F184 P216 A217 V220 L240F171-F244 HydrophobicContact CE1-CD2 4.12Å; F171-F244 HydrophobicContact CE1-CG 4.15Å; F171-F244 HydrophobicContact CZ-CB 4.04Å; F171-F244 HydrophobicContact CZ-CD1 4.07Å; F171-F244 HydrophobicContact CZ-CD2 4.29Å; F171-F244 AromaticContact CZ-CG 3.86Å; F171-F244 HydrophobicContact CZ-CG 3.86Å; F184-F244 HydrophobicContact CD1-CB 4.09Å; F184-F244 VanDerWaalsContact CD1-O 3.3Å; F184-F244 WeakPolarHBondContact CD1-O 3.38Å; F184-F244 HydrophobicContact CD2-CB 3.69Å; F184-F244 HydrophobicContact CE1-CB 4.19Å; F184-F244 HydrophobicContact CE2-CB 3.78Å; F184-F244 HydrophobicContact CG-CB 3.84Å; F184-F244 HydrophobicContact CZ-CB 4.03Å; P216-F244 HydrophobicContact CB-CE1 4.09Å; P216-F244 HydrophobicContact CB-CZ 3.87Å; A217-F244 HydrophobicContact CB-CE2 3.92Å; A217-F244 HydrophobicContact CB-CZ 4.05Å; V220-F244 HydrophobicContact CB-CE2 4.39Å; V220-F244 HydrophobicContact CG2-CE2 3.82Å; V220-F244 HydrophobicContact CG2-CZ 4.13Å; L240-F244 HydrophobicContact CD2-CD2 3.99Å; L240-F244 HydrophobicContact CD2-CE2 3.97Å; L240-F244 PolarHBondContact O-N 2.86Å
245G87.5Confident92.3Very high19 Ų1959.3 Ų59.320%0.19634%0.337CS..SBendtrans-69.1169.4176.600000112.9F184 D241 A247F184-G245 VanDerWaalsContact CE1-N 3.32Å; D241-G245 WeakPolarHBondContact O-CA 3.32Å; D241-G245 PolarHBondContact O-N 3.38Å; G245-A247 PolarHBondContact O-N 3.26Å
246M81.6Confident92.3Very high89 Ų8957.1 Ų57.144%0.43834%0.335SS..  trans-59.1121.7172.7-67.5-76.3-55.200109.3E248M246-E248 HydrophobicContact CE-CB 4.47Å; M246-E248 HydrophobicContact CE-CG 3.97Å; M246-E248 WeakPolarHBondContact CE-OE2 3.45Å; M246-E248 PolarHBondContact O-N 2.91Å
247A82.3Confident92.4Very high109 Ų10957.1 Ų57.190%0.90134%0.335SS*.  trans-71.5-9.3175.600000113.4G245 S249G245-A247 PolarHBondContact O-N 3.26Å; A247-S249 PolarHBondContact O-N 3.48Å
248E86.9Confident92.5Very high85 Ų8559.9 Ų59.940%0.39735%0.345SS..  trans-65.9128.8178.7-63.9-175.6134.100110.6M246 D252 L253M246-E248 HydrophobicContact CE-CB 4.47Å; M246-E248 HydrophobicContact CE-CG 3.97Å; M246-E248 WeakPolarHBondContact CE-OE2 3.45Å; M246-E248 PolarHBondContact O-N 2.91Å; E248-D252 HydrophobicContact CB-CB 4.21Å; E248-L253 HydrophobicContact CB-CD2 4.1Å; E248-L253 HydrophobicContact CB-CG 4.07Å; E248-L253 VanDerWaalsContact OE2-CD2 3.26Å; E248-L253 WeakPolarHBondContact OE2-CD2 3.31Å
249S91.4Very high92.7Very high50 Ų5060.6 Ų60.635%0.3535%0.352SS..  trans-72.3163.8173.9680000111.3A247 D251 D252 L253A247-S249 PolarHBondContact O-N 3.48Å; S249-D251 PolarHBondContact O-N 3.1Å; S249-D252 WeakPolarHBondContact CB-OD2 3.47Å; S249-D252 PolarHBondContact N-OD2 3.29Å; S249-D252 PolarHBondContact O-N 2.79Å; S249-D252 VanDerWaalsContact O-N 3.15Å; S249-D252 PolarHBondContact OG-N 3.26Å; S249-D252 PolarHBondContact OG-OD2 3.27Å; S249-L253 WeakPolarHBondContact O-CG 3.28Å; S249-L253 PolarHBondContact O-N 2.86Å
250G91.9Very high92.8Very high7 Ų760.7 Ų60.77%0.07235%0.349CS..Hα-helixtrans-54.2-35.5171.500000112.9Y254 K285G250-Y254 WeakPolarHBondContact O-CB 3.31Å; G250-Y254 PolarHBondContact O-N 3.49Å; G250-K285 VanDerWaalsContact CA-O 3.25Å; G250-K285 WeakPolarHBondContact CA-O 3.44Å
251D93.9Very high92.9Very high104 Ų10465.9 Ų65.956%0.55637%0.373SS*.Hα-helixtrans-67.1-46.2176.6-71.3-22000111.7S249 L253 Y254 F255S249-D251 PolarHBondContact O-N 3.1Å; D251-L253 VanDerWaalsContact C-N 3.32Å; D251-L253 PolarHBondContact O-N 2.92Å; D251-Y254 WeakPolarHBondContact O-CB 3.38Å; D251-Y254 PolarHBondContact O-N 3.32Å; D251-Y254 VanDerWaalsContact O-N 3.09Å; D251-F255 HydrophobicContact CB-CE2 4.36Å; D251-F255 WeakPolarHBondContact O-CD2 3.44Å; D251-F255 PolarHBondContact O-N 3.09Å
252D94.9Very high93.1Very high81 Ų8164.4 Ų64.443%0.43337%0.365SS..Hα-helixtrans-59.8-44.8177-61.7-46.7000111.1E248 S249 Y254 F255 A256E248-D252 HydrophobicContact CB-CB 4.21Å; S249-D252 WeakPolarHBondContact CB-OD2 3.47Å; S249-D252 PolarHBondContact N-OD2 3.29Å; S249-D252 PolarHBondContact O-N 2.79Å; S249-D252 VanDerWaalsContact O-N 3.15Å; S249-D252 PolarHBondContact OG-N 3.26Å; S249-D252 PolarHBondContact OG-OD2 3.27Å; D252-Y254 VanDerWaalsContact C-N 3.3Å; D252-Y254 PolarHBondContact O-N 2.69Å; D252-F255 PolarHBondContact O-N 2.99Å; D252-A256 PolarHBondContact O-N 2.91Å
253L95Very high93.3Very high16 Ų1664.7 Ų64.78%0.08435%0.354CS..Hα-helixtrans-62.3-38.8175.1-67.9172.1000111.3E248 S249 D251 A256 F257 K281 V282 K285E248-L253 HydrophobicContact CB-CD2 4.1Å; E248-L253 HydrophobicContact CB-CG 4.07Å; E248-L253 VanDerWaalsContact OE2-CD2 3.26Å; E248-L253 WeakPolarHBondContact OE2-CD2 3.31Å; S249-L253 WeakPolarHBondContact O-CG 3.28Å; S249-L253 PolarHBondContact O-N 2.86Å; D251-L253 VanDerWaalsContact C-N 3.32Å; D251-L253 PolarHBondContact O-N 2.92Å; L253-A256 PolarHBondContact O-N 3.39Å; L253-F257 WeakPolarHBondContact O-CB 3.08Å; L253-F257 PolarHBondContact O-N 3.37Å; L253-K281 HydrophobicContact CD1-CB 4.32Å; L253-V282 HydrophobicContact CB-CG2 3.89Å; L253-V282 WeakPolarHBondContact O-CG2 3.27Å; L253-K285 HydrophobicContact CD1-CB 3.99Å; L253-K285 HydrophobicContact CD1-CG 3.86Å
254Y96.8Very high93.3Very high59 Ų5968.5 Ų68.523%0.23138%0.378CS..Hα-helixtrans-66.1-42.6176.3-174.9-110.9000111.3G250 D251 D252 F257 R258 V282 L288G250-Y254 WeakPolarHBondContact O-CB 3.31Å; G250-Y254 PolarHBondContact O-N 3.49Å; D251-Y254 WeakPolarHBondContact O-CB 3.38Å; D251-Y254 PolarHBondContact O-N 3.32Å; D251-Y254 VanDerWaalsContact O-N 3.09Å; D252-Y254 VanDerWaalsContact C-N 3.3Å; D252-Y254 PolarHBondContact O-N 2.69Å; Y254-F257 HydrophobicContact CD2-CD1 4.03Å; Y254-F257 HydrophobicContact CE2-CD1 4.04Å; Y254-F257 HydrophobicContact CE2-CE1 4.28Å; Y254-F257 WeakPolarHBondContact O-CB 3.37Å; Y254-F257 PolarHBondContact O-N 3.26Å; Y254-R258 HydrophobicContact CD1-CG 4.28Å; Y254-R258 HydrophobicContact CE1-CG 3.94Å; Y254-R258 HydrophobicContact CE2-CG 4.34Å; Y254-R258 VanDerWaalsContact O-CG 3.29Å; Y254-R258 WeakPolarHBondContact O-CG 3.35Å; Y254-R258 PolarHBondContact O-N 2.85Å; Y254-V282 HydrophobicContact CD2-CG1 3.91Å; Y254-V282 HydrophobicContact CG-CG1 4.38Å; Y254-L288 HydrophobicContact CE2-CD1 4.09Å
255F96.3Very high93.3Very high134 Ų13470 Ų7059%0.58841%0.407SS*.Hα-helixtrans-60.2-46.6173.6-73.3-63.6000111.6D251 D252 F257 R258 L259D251-F255 HydrophobicContact CB-CE2 4.36Å; D251-F255 WeakPolarHBondContact O-CD2 3.44Å; D251-F255 PolarHBondContact O-N 3.09Å; D252-F255 PolarHBondContact O-N 2.99Å; F255-F257 VanDerWaalsContact C-N 3.33Å; F255-F257 PolarHBondContact O-N 3.07Å; F255-R258 PolarHBondContact O-N 2.83Å; F255-R258 VanDerWaalsContact O-N 3.1Å; F255-L259 WeakPolarHBondContact O-CG 3.3Å; F255-L259 PolarHBondContact O-N 2.83Å; F255-L259 VanDerWaalsContact O-N 3.13Å
256A96.1Very high93.6Very high45 Ų4570.8 Ų70.837%0.37241%0.406SS..Hα-helixtrans-58.7-44.5175.800000111.7D252 L253 R258 L259 M260D252-A256 PolarHBondContact O-N 2.91Å; L253-A256 PolarHBondContact O-N 3.39Å; A256-R258 VanDerWaalsContact C-N 3.31Å; A256-R258 PolarHBondContact O-N 3.37Å; A256-L259 PolarHBondContact O-N 3.37Å; A256-L259 VanDerWaalsContact O-N 3.13Å; A256-M260 WeakPolarHBondContact O-CG 3.47Å; A256-M260 PolarHBondContact O-N 3.27Å
257F97.6Very high94.3Very high0 Ų072.5 Ų72.50%041%0.411CS..Hα-helixtrans-55.8-44.3173.2164.1-101.6000111.9L253 Y254 F255 L259 M260 L275 L279 V282 A296 Q300L253-F257 WeakPolarHBondContact O-CB 3.08Å; L253-F257 PolarHBondContact O-N 3.37Å; Y254-F257 HydrophobicContact CD2-CD1 4.03Å; Y254-F257 HydrophobicContact CE2-CD1 4.04Å; Y254-F257 HydrophobicContact CE2-CE1 4.28Å; Y254-F257 WeakPolarHBondContact O-CB 3.37Å; Y254-F257 PolarHBondContact O-N 3.26Å; F255-F257 VanDerWaalsContact C-N 3.33Å; F255-F257 PolarHBondContact O-N 3.07Å; F257-L259 PolarHBondContact O-N 3.37Å; F257-M260 HydrophobicContact CD2-SD 4.3Å; F257-M260 WeakPolarHBondContact O-CB 3.41Å; F257-M260 WeakPolarHBondContact O-CG 3.32Å; F257-M260 PolarHBondContact O-N 3.49Å; F257-M260 VanDerWaalsContact O-N 3.17Å; F257-L275 HydrophobicContact CD2-CD2 4.13Å; F257-L275 HydrophobicContact CE2-CD2 3.76Å; F257-L279 HydrophobicContact CD1-CD1 4.5Å; F257-L279 HydrophobicContact CD2-CB 4.16Å; F257-L279 HydrophobicContact CD2-CD1 4.39Å; F257-L279 HydrophobicContact CE1-CD1 4.19Å; F257-L279 HydrophobicContact CE2-CB 3.93Å; F257-L279 HydrophobicContact CE2-CD1 4.07Å; F257-L279 HydrophobicContact CE2-CD2 4.43Å; F257-L279 HydrophobicContact CE2-CG 4.37Å; F257-L279 HydrophobicContact CZ-CD1 3.96Å; F257-L279 HydrophobicContact CZ-CD2 4.44Å; F257-V282 HydrophobicContact CB-CG2 4.06Å; F257-A296 HydrophobicContact CE1-CB 4.22Å; F257-A296 HydrophobicContact CZ-CB 4.35Å; F257-Q300 HydrophobicContact CE1-CB 3.83Å; F257-Q300 HydrophobicContact CE1-CG 4.12Å; F257-Q300 HydrophobicContact CE2-CB 3.99Å; F257-Q300 HydrophobicContact CE2-CG 3.98Å; F257-Q300 HydrophobicContact CZ-CB 3.36Å; F257-Q300 HydrophobicContact CZ-CG 3.77Å; F257-Q300 PolarHBondContact O-NE2 3.43Å
258R97Very high95Very high57 Ų5767.4 Ų67.422%0.21537%0.369CS..Hα-helixtrans-69.7-18.4-180-63.9-61.6-90.9171.1-27.1113.8Y254 F255 A256 E299 Q300 K303Y254-R258 HydrophobicContact CD1-CG 4.28Å; Y254-R258 HydrophobicContact CE1-CG 3.94Å; Y254-R258 HydrophobicContact CE2-CG 4.34Å; Y254-R258 VanDerWaalsContact O-CG 3.29Å; Y254-R258 WeakPolarHBondContact O-CG 3.35Å; Y254-R258 PolarHBondContact O-N 2.85Å; F255-R258 PolarHBondContact O-N 2.83Å; F255-R258 VanDerWaalsContact O-N 3.1Å; A256-R258 VanDerWaalsContact C-N 3.31Å; A256-R258 PolarHBondContact O-N 3.37Å; R258-E299 IonicContact CZ-OE2 3.84Å; R258-E299 IonicContact NH1-OE2 3.93Å; R258-E299 IonicContact NH2-OE2 2.97Å; R258-E299 PolarHBondContact NH2-OE2 3.29Å; R258-Q300 VanDerWaalsContact C-NE2 3.3Å; R258-Q300 PolarHBondContact O-NE2 3.41Å; R258-Q300 PolarHBondContact O-OE1 2.9Å; R258-K303 VanDerWaalsContact NH2-NZ 3.15Å
259L96.7Very high95.5Very high138 Ų13863.6 Ų63.672%0.72335%0.351SS*.Hα-helixtrans-89.3-8.3175.1-66.8170.9000113.4F255 A256 F257 Q261F255-L259 WeakPolarHBondContact O-CG 3.3Å; F255-L259 PolarHBondContact O-N 2.83Å; F255-L259 VanDerWaalsContact O-N 3.13Å; A256-L259 PolarHBondContact O-N 3.37Å; A256-L259 VanDerWaalsContact O-N 3.13Å; F257-L259 PolarHBondContact O-N 3.37Å; L259-Q261 PolarHBondContact O-N 3.24Å
260M97.8Very high95.8Very high24 Ų2464.4 Ų64.412%0.11835%0.352CS..  trans-65127.2-178.3-66.3-176.769.200112A256 F257 F271 R274 L275 S278 Q300A256-M260 WeakPolarHBondContact O-CG 3.47Å; A256-M260 PolarHBondContact O-N 3.27Å; F257-M260 HydrophobicContact CD2-SD 4.3Å; F257-M260 WeakPolarHBondContact O-CB 3.41Å; F257-M260 WeakPolarHBondContact O-CG 3.32Å; F257-M260 PolarHBondContact O-N 3.49Å; F257-M260 VanDerWaalsContact O-N 3.17Å; M260-F271 HydrophobicContact CB-CE2 4.24Å; M260-R274 HydrophobicContact CE-CB 4.24Å; M260-R274 HydrophobicContact CE-CG 3.67Å; M260-L275 HydrophobicContact CB-CD2 3.83Å; M260-L275 HydrophobicContact CE-CD2 4.17Å; M260-L275 HydrophobicContact CE-CG 4.4Å; M260-L275 HydrophobicContact CG-CD2 4.47Å; M260-L275 HydrophobicContact SD-CD2 3.9Å; M260-S278 WeakPolarHBondContact SD-CB 3.4Å; M260-S278 PolarHBondContact SD-OG 3.19Å; M260-S278 VanDerWaalsContact SD-OG 3.4Å; M260-Q300 PolarHBondContact O-NE2 3.01Å
261Q97.3Very high96.1Very high109 Ų10964.1 Ų64.151%0.50935%0.349SS..  trans-123.8151.2173.3-64.4-178000111.2L259 Q263 R274 G304 V306L259-Q261 PolarHBondContact O-N 3.24Å; Q261-Q263 PolarHBondContact O-N 3.35Å; Q261-Q263 PolarHBondContact O-NE2 3.47Å; Q261-R274 PolarHBondContact O-NH2 3.47Å; Q261-G304 CarbonylContact C-O 3.49Å; Q261-G304 WeakPolarHBondContact CA-O 3.48Å; Q261-V306 HydrophobicContact CB-CG2 4.48Å
262Q97.5Very high96.3Very high14 Ų1459.1 Ų59.17%0.06532%0.322CS..PPolyproline II helixtrans-62.3128.5171-176.8176.417.200109.2E266 F271 G304 V306 S308Q262-E266 WeakPolarHBondContact CA-OE2 3.45Å; Q262-E266 HydrophobicContact CG-CB 4.18Å; Q262-E266 PolarHBondContact NE2-O 3.46Å; Q262-F271 HydrophobicContact CB-CB 4.24Å; Q262-F271 HydrophobicContact CB-CD1 3.82Å; Q262-F271 HydrophobicContact CB-CD2 4.23Å; Q262-F271 HydrophobicContact CB-CE1 4.19Å; Q262-F271 HydrophobicContact CB-CG 3.83Å; Q262-F271 HydrophobicContact CG-CB 4.11Å; Q262-F271 HydrophobicContact CG-CD1 4.42Å; Q262-F271 HydrophobicContact CG-CG 4.25Å; Q262-G304 PolarHBondContact N-O 3.5Å; Q262-V306 HydrophobicContact CB-CG2 4.42Å; Q262-V306 WeakPolarHBondContact O-CG2 3.48Å; Q262-S308 PolarHBondContact NE2-OG 3.36Å; Q262-S308 PolarHBondContact OE1-OG 3.23Å
263Q94.9Very high96.4Very high114 Ų11459.3 Ų59.353%0.53332%0.317SS..PPolyproline II helixtrans-77.5154.5179-56.7-58.3-53.600110.4Q261 G265 E266Q261-Q263 PolarHBondContact O-N 3.35Å; Q261-Q263 PolarHBondContact O-NE2 3.47Å; Q263-G265 PolarHBondContact O-N 2.91Å; Q263-G265 VanDerWaalsContact O-N 3.16Å; Q263-E266 HydrophobicContact CB-CB 4.03Å; Q263-E266 PolarHBondContact N-OE2 2.81Å; Q263-E266 VanDerWaalsContact O-CB 3.24Å; Q263-E266 WeakPolarHBondContact O-CB 3.33Å; Q263-E266 PolarHBondContact O-N 3.42Å
264S93.8Very high96.6Very high133 Ų13361.4 Ų61.493%0.9332%0.323SS*.THydrogen-bonded Turntrans-57.2121.8176.3176.70000111E266S264-E266 VanDerWaalsContact C-N 3.27Å; S264-E266 PolarHBondContact O-N 2.99Å
265G91.2Very high96.6Very high82 Ų8258.6 Ų58.685%0.84531%0.313SS*.THydrogen-bonded Turntrans78.9-0.2-178.100000115.4Q263Q263-G265 PolarHBondContact O-N 2.91Å; Q263-G265 VanDerWaalsContact O-N 3.16Å
266E95.4Very high96.7Very high36 Ų3653.6 Ų53.617%0.16829%0.291CS..  trans-72.7131.1171.7-173.3-178.8-151.800109.5Q262 Q263 S264 D270 F271 R274Q262-E266 WeakPolarHBondContact CA-OE2 3.45Å; Q262-E266 HydrophobicContact CG-CB 4.18Å; Q262-E266 PolarHBondContact NE2-O 3.46Å; Q263-E266 HydrophobicContact CB-CB 4.03Å; Q263-E266 PolarHBondContact N-OE2 2.81Å; Q263-E266 VanDerWaalsContact O-CB 3.24Å; Q263-E266 WeakPolarHBondContact O-CB 3.33Å; Q263-E266 PolarHBondContact O-N 3.42Å; S264-E266 VanDerWaalsContact C-N 3.27Å; S264-E266 PolarHBondContact O-N 2.99Å; E266-D270 HydrophobicContact CG-CB 3.75Å; E266-F271 HydrophobicContact CG-CB 4.29Å; E266-F271 WeakPolarHBondContact OE1-CA 3.13Å; E266-F271 PolarHBondContact OE1-N 2.99Å; E266-R274 IonicContact OE1-CZ 2.63Å; E266-R274 IonicContact OE1-NE 3.23Å; E266-R274 PolarHBondContact OE1-NE 2.86Å; E266-R274 IonicContact OE1-NH2 3.5Å; E266-R274 PolarHBondContact OE1-NH2 3.19Å; E266-R274 IonicContact OE2-CZ 3.81Å; E266-R274 IonicContact OE2-NE 2.71Å; E266-R274 IonicContact OE2-NH2 3.7Å; E266-R274 PolarHBondContact OE2-NH2 2.94Å
267K95.9Very high96.6Very high126 Ų12659.7 Ų59.755%0.54830%0.304SS..  trans-66.3152.3172.9-69.3-172174.7-171.40110.7S269 D270 F271 E338K267-S269 PolarHBondContact O-N 3.42Å; K267-D270 HydrophobicContact CB-CB 4.42Å; K267-D270 PolarHBondContact O-N 3.36Å; K267-D270 VanDerWaalsContact O-N 3.08Å; K267-F271 PolarHBondContact O-N 3.16Å; K267-E338 WeakPolarHBondContact CB-OE1 3.31Å
268L97.2Very high96.6Very high2 Ų260.8 Ų60.81%0.0131%0.312CS..Hα-helixtrans-61.1-35.3178.5-173.259.6000111.5F271 L272 L301 A305 M311 L312 L315 I334 E338L268-F271 HydrophobicContact CD1-CD1 4.3Å; L268-F271 PolarHBondContact O-N 3.17Å; L268-L272 WeakPolarHBondContact O-CB 3.42Å; L268-L272 PolarHBondContact O-N 3.42Å; L268-L301 HydrophobicContact CD1-CD1 3.65Å; L268-L301 HydrophobicContact CD1-CG 4.33Å; L268-A305 HydrophobicContact CD1-CB 3.59Å; L268-M311 HydrophobicContact CB-CE 4.49Å; L268-M311 HydrophobicContact CB-SD 4.2Å; L268-M311 HydrophobicContact CD2-CB 3.99Å; L268-M311 HydrophobicContact CD2-CE 4.17Å; L268-M311 HydrophobicContact CD2-SD 4.09Å; L268-L312 HydrophobicContact CD1-CD2 4.39Å; L268-L312 HydrophobicContact CD2-CD2 4.15Å; L268-L315 HydrophobicContact CD2-CD1 4.34Å; L268-I334 HydrophobicContact CB-CG2 3.87Å; L268-I334 HydrophobicContact CD2-CD1 4.24Å; L268-I334 HydrophobicContact CD2-CG1 4.08Å; L268-I334 HydrophobicContact CD2-CG2 4.07Å; L268-I334 HydrophobicContact CG-CD1 4.17Å; L268-I334 HydrophobicContact CG-CG1 4.42Å; L268-I334 HydrophobicContact CG-CG2 3.94Å; L268-E338 PolarHBondContact N-OE1 2.62Å; L268-E338 VanDerWaalsContact N-OE1 3.1Å
269S97.6Very high96.6Very high4 Ų458.1 Ų58.13%0.02830%0.302CS..Hα-helixtrans-67.4-33.9175.764.40000113.5K267 R273 E338K267-S269 PolarHBondContact O-N 3.42Å; S269-R273 WeakPolarHBondContact O-CG 3.28Å; S269-R273 VanDerWaalsContact O-CZ 3.27Å; S269-R273 PolarHBondContact O-N 3.06Å; S269-R273 VanDerWaalsContact O-N 3.12Å; S269-R273 PolarHBondContact O-NE 3.38Å; S269-R273 PolarHBondContact OG-NH2 3.25Å; S269-E338 WeakPolarHBondContact CB-OE1 3.41Å; S269-E338 WeakPolarHBondContact CB-OE2 3.36Å; S269-E338 PolarHBondContact N-OE1 3.35Å; S269-E338 PolarHBondContact OG-OE1 3.23Å; S269-E338 PolarHBondContact OG-OE2 3.16Å
270D97.6Very high96.5Very high68 Ų6854.1 Ų54.136%0.36429%0.286SS..Hα-helixtrans-70.3-45.1174.4-74.5-48.3000110.9E266 K267 L272 R273 R274E266-D270 HydrophobicContact CG-CB 3.75Å; K267-D270 HydrophobicContact CB-CB 4.42Å; K267-D270 PolarHBondContact O-N 3.36Å; K267-D270 VanDerWaalsContact O-N 3.08Å; D270-L272 VanDerWaalsContact C-N 3.3Å; D270-L272 PolarHBondContact O-N 3.12Å; D270-R273 VanDerWaalsContact CG-NH2 3.3Å; D270-R273 PolarHBondContact O-N 2.84Å; D270-R273 IonicContact OD1-CZ 2.85Å; D270-R273 IonicContact OD1-NE 2.65Å; D270-R273 PolarHBondContact OD1-NE 3.39Å; D270-R273 IonicContact OD1-NH2 3.84Å; D270-R273 PolarHBondContact OD1-NH2 2.97Å; D270-R273 IonicContact OD2-NH2 3.45Å; D270-R274 PolarHBondContact O-N 3.44Å
271F97.8Very high96.3Very high0 Ų057.2 Ų57.20%030%0.298CS..Hα-helixtrans-58.6-43.9174.6177.7-131.9000111.4M260 Q262 E266 K267 L268 R273 R274 L275 L301 G304 A305M260-F271 HydrophobicContact CB-CE2 4.24Å; Q262-F271 HydrophobicContact CB-CB 4.24Å; Q262-F271 HydrophobicContact CB-CD1 3.82Å; Q262-F271 HydrophobicContact CB-CD2 4.23Å; Q262-F271 HydrophobicContact CB-CE1 4.19Å; Q262-F271 HydrophobicContact CB-CG 3.83Å; Q262-F271 HydrophobicContact CG-CB 4.11Å; Q262-F271 HydrophobicContact CG-CD1 4.42Å; Q262-F271 HydrophobicContact CG-CG 4.25Å; E266-F271 HydrophobicContact CG-CB 4.29Å; E266-F271 WeakPolarHBondContact OE1-CA 3.13Å; E266-F271 PolarHBondContact OE1-N 2.99Å; K267-F271 PolarHBondContact O-N 3.16Å; L268-F271 HydrophobicContact CD1-CD1 4.3Å; L268-F271 PolarHBondContact O-N 3.17Å; F271-R273 PolarHBondContact O-N 2.88Å; F271-R274 VanDerWaalsContact CD2-NH2 3.25Å; F271-R274 PolarHBondContact O-N 3.11Å; F271-L275 HydrophobicContact CD1-CD1 3.88Å; F271-L275 HydrophobicContact CD2-CD1 4.27Å; F271-L275 HydrophobicContact CD2-CG 4.11Å; F271-L275 HydrophobicContact CE1-CD1 3.47Å; F271-L275 VanDerWaalsContact CE1-CD1 3.47Å; F271-L275 HydrophobicContact CE1-CG 4.2Å; F271-L275 HydrophobicContact CE2-CD1 3.92Å; F271-L275 HydrophobicContact CE2-CD2 4.05Å; F271-L275 HydrophobicContact CE2-CG 3.69Å; F271-L275 HydrophobicContact CG-CD1 4.28Å; F271-L275 HydrophobicContact CZ-CD1 3.5Å; F271-L275 VanDerWaalsContact CZ-CD1 3.5Å; F271-L275 HydrophobicContact CZ-CD2 3.96Å; F271-L275 HydrophobicContact CZ-CG 3.75Å; F271-L275 WeakPolarHBondContact O-CB 3.38Å; F271-L275 WeakPolarHBondContact O-CG 3.44Å; F271-L275 PolarHBondContact O-N 3.38Å; F271-L301 HydrophobicContact CD1-CD1 3.71Å; F271-L301 HydrophobicContact CE1-CD1 3.88Å; F271-G304 VanDerWaalsContact CE1-C 3.5Å; F271-A305 HydrophobicContact CD1-CB 4.12Å; F271-A305 HydrophobicContact CE1-CB 4.02Å
272L98Very high96.2Very high0 Ų052 Ų520%027%0.274CS..Hα-helixtrans-61.1-43.1176.9-175.462.7000112.6L268 D270 R274 L275 E276 R297 L301 F327 L330 L331 I334L268-L272 WeakPolarHBondContact O-CB 3.42Å; L268-L272 PolarHBondContact O-N 3.42Å; D270-L272 VanDerWaalsContact C-N 3.3Å; D270-L272 PolarHBondContact O-N 3.12Å; L272-R274 VanDerWaalsContact C-N 3.3Å; L272-R274 PolarHBondContact O-N 2.89Å; L272-L275 WeakPolarHBondContact O-CB 3.31Å; L272-L275 PolarHBondContact O-N 2.68Å; L272-E276 PolarHBondContact O-N 3.17Å; L272-R297 HydrophobicContact CD1-CG 3.75Å; L272-L301 HydrophobicContact CD1-CD1 4.34Å; L272-L301 HydrophobicContact CD1-CD2 4.31Å; L272-F327 HydrophobicContact CD2-CD2 4.37Å; L272-F327 HydrophobicContact CD2-CE2 4.3Å; L272-F327 HydrophobicContact CG-CD2 4.24Å; L272-F327 HydrophobicContact CG-CE2 3.98Å; L272-L330 HydrophobicContact CD1-CD2 3.99Å; L272-L330 HydrophobicContact CD2-CB 4.34Å; L272-L330 HydrophobicContact CD2-CD2 3.96Å; L272-L330 HydrophobicContact CD2-CG 3.86Å; L272-L331 HydrophobicContact CD2-CB 4.07Å; L272-L331 HydrophobicContact CD2-CD1 4.3Å; L272-I334 HydrophobicContact CB-CD1 4.48Å; L272-I334 HydrophobicContact CD2-CD1 3.58Å
273R98.2Very high96.1Very high84 Ų8452.7 Ų52.732%0.31728%0.279SS..Hα-helixtrans-62.7-38.3175.4-76.9-177.9-76.4-86.50.8111.8S269 D270 F271 E276 R277 F327S269-R273 WeakPolarHBondContact O-CG 3.28Å; S269-R273 VanDerWaalsContact O-CZ 3.27Å; S269-R273 PolarHBondContact O-N 3.06Å; S269-R273 VanDerWaalsContact O-N 3.12Å; S269-R273 PolarHBondContact O-NE 3.38Å; S269-R273 PolarHBondContact OG-NH2 3.25Å; D270-R273 VanDerWaalsContact CG-NH2 3.3Å; D270-R273 PolarHBondContact O-N 2.84Å; D270-R273 IonicContact OD1-CZ 2.85Å; D270-R273 IonicContact OD1-NE 2.65Å; D270-R273 PolarHBondContact OD1-NE 3.39Å; D270-R273 IonicContact OD1-NH2 3.84Å; D270-R273 PolarHBondContact OD1-NH2 2.97Å; D270-R273 IonicContact OD2-NH2 3.45Å; F271-R273 PolarHBondContact O-N 2.88Å; R273-E276 PolarHBondContact O-N 3.04Å; R273-R277 PolarHBondContact O-N 2.88Å; R273-F327 HydrophobicContact CG-CZ 4.31Å
274R97.4Very high95.9Very high60 Ų6054.3 Ų54.323%0.22629%0.287CS..Hα-helixtrans-67.9-43.7176.7-168.3167.351.385.2-4111.2M260 Q261 E266 D270 F271 L272 E276 R277 S278M260-R274 HydrophobicContact CE-CB 4.24Å; M260-R274 HydrophobicContact CE-CG 3.67Å; Q261-R274 PolarHBondContact O-NH2 3.47Å; E266-R274 IonicContact OE1-CZ 2.63Å; E266-R274 IonicContact OE1-NE 3.23Å; E266-R274 PolarHBondContact OE1-NE 2.86Å; E266-R274 IonicContact OE1-NH2 3.5Å; E266-R274 PolarHBondContact OE1-NH2 3.19Å; E266-R274 IonicContact OE2-CZ 3.81Å; E266-R274 IonicContact OE2-NE 2.71Å; E266-R274 IonicContact OE2-NH2 3.7Å; E266-R274 PolarHBondContact OE2-NH2 2.94Å; D270-R274 PolarHBondContact O-N 3.44Å; F271-R274 VanDerWaalsContact CD2-NH2 3.25Å; F271-R274 PolarHBondContact O-N 3.11Å; L272-R274 VanDerWaalsContact C-N 3.3Å; L272-R274 PolarHBondContact O-N 2.89Å; R274-E276 VanDerWaalsContact C-N 3.31Å; R274-E276 PolarHBondContact O-N 3.17Å; R274-R277 PolarHBondContact O-N 3.46Å; R274-S278 PolarHBondContact O-N 2.82Å
275L97.3Very high95.7Very high1 Ų151.3 Ų51.31%0.00526%0.257CS..Hα-helixtrans-56.3-45.1171.7-81170.2000111.6F257 M260 F271 L272 R277 S278 L279 Q300 L301F257-L275 HydrophobicContact CD2-CD2 4.13Å; F257-L275 HydrophobicContact CE2-CD2 3.76Å; M260-L275 HydrophobicContact CB-CD2 3.83Å; M260-L275 HydrophobicContact CE-CD2 4.17Å; M260-L275 HydrophobicContact CE-CG 4.4Å; M260-L275 HydrophobicContact CG-CD2 4.47Å; M260-L275 HydrophobicContact SD-CD2 3.9Å; F271-L275 HydrophobicContact CD1-CD1 3.88Å; F271-L275 HydrophobicContact CD2-CD1 4.27Å; F271-L275 HydrophobicContact CD2-CG 4.11Å; F271-L275 HydrophobicContact CE1-CD1 3.47Å; F271-L275 VanDerWaalsContact CE1-CD1 3.47Å; F271-L275 HydrophobicContact CE1-CG 4.2Å; F271-L275 HydrophobicContact CE2-CD1 3.92Å; F271-L275 HydrophobicContact CE2-CD2 4.05Å; F271-L275 HydrophobicContact CE2-CG 3.69Å; F271-L275 HydrophobicContact CG-CD1 4.28Å; F271-L275 HydrophobicContact CZ-CD1 3.5Å; F271-L275 VanDerWaalsContact CZ-CD1 3.5Å; F271-L275 HydrophobicContact CZ-CD2 3.96Å; F271-L275 HydrophobicContact CZ-CG 3.75Å; F271-L275 WeakPolarHBondContact O-CB 3.38Å; F271-L275 WeakPolarHBondContact O-CG 3.44Å; F271-L275 PolarHBondContact O-N 3.38Å; L272-L275 WeakPolarHBondContact O-CB 3.31Å; L272-L275 PolarHBondContact O-N 2.68Å; L275-R277 PolarHBondContact O-N 3.36Å; L275-S278 PolarHBondContact O-N 3.36Å; L275-L279 WeakPolarHBondContact O-CB 3.39Å; L275-L279 PolarHBondContact O-N 3.41Å; L275-Q300 HydrophobicContact CD2-CB 4.2Å; L275-Q300 HydrophobicContact CD2-CG 3.44Å; L275-Q300 VanDerWaalsContact CD2-CG 3.44Å; L275-L301 HydrophobicContact CD1-CB 4.47Å; L275-L301 HydrophobicContact CD1-CD1 3.84Å
276E97.8Very high95.7Very high29 Ų2954.5 Ų54.514%0.13626%0.255CS..Hα-helixtrans-60.8-47.6-179.3-170.362.4-168.300111.9L272 R273 R274 S278 L279 S280 R297 F327L272-E276 PolarHBondContact O-N 3.17Å; R273-E276 PolarHBondContact O-N 3.04Å; R274-E276 VanDerWaalsContact C-N 3.31Å; R274-E276 PolarHBondContact O-N 3.17Å; E276-S278 VanDerWaalsContact C-N 3.26Å; E276-S278 PolarHBondContact O-N 3.32Å; E276-L279 PolarHBondContact O-N 2.86Å; E276-L279 VanDerWaalsContact O-N 3.14Å; E276-S280 PolarHBondContact O-N 3.47Å; E276-S280 PolarHBondContact O-OG 3.1Å; E276-S280 VanDerWaalsContact O-OG 3.05Å; E276-R297 IonicContact OE1-CZ 2.85Å; E276-R297 IonicContact OE1-NH2 3.46Å; E276-R297 PolarHBondContact OE1-NH2 3.21Å; E276-R297 IonicContact OE2-CZ 2.77Å; E276-R297 IonicContact OE2-NE 3.07Å; E276-R297 PolarHBondContact OE2-NE 2.97Å; E276-R297 IonicContact OE2-NH2 2.66Å; E276-R297 PolarHBondContact OE2-NH2 3.4Å; E276-F327 HydrophobicContact CB-CD2 3.86Å; E276-F327 HydrophobicContact CB-CE2 3.52Å; E276-F327 HydrophobicContact CB-CZ 4.07Å; E276-F327 HydrophobicContact CG-CD1 4.32Å; E276-F327 HydrophobicContact CG-CD2 3.71Å; E276-F327 HydrophobicContact CG-CE1 4.33Å; E276-F327 HydrophobicContact CG-CE2 3.71Å; E276-F327 HydrophobicContact CG-CG 4.03Å; E276-F327 HydrophobicContact CG-CZ 4.03Å; E276-F327 WeakPolarHBondContact OE2-CD2 2.94Å
277R95.6Very high95.7Very high172 Ų17253.6 Ų53.665%0.64926%0.255SS*.Hα-helixtrans-58-39.2177.3-72.8-173.5-66.3177.7-0.1112.5R273 R274 L275R273-R277 PolarHBondContact O-N 2.88Å; R274-R277 PolarHBondContact O-N 3.46Å; L275-R277 PolarHBondContact O-N 3.36Å
278S96.3Very high95.8Very high24 Ų2448.7 Ų48.717%0.16824%0.235CC..Hα-helixtrans-69.3-44.9175.9176.30000111.5M260 R274 L275 E276 S280 K281 V282M260-S278 WeakPolarHBondContact SD-CB 3.4Å; M260-S278 PolarHBondContact SD-OG 3.19Å; M260-S278 VanDerWaalsContact SD-OG 3.4Å; R274-S278 PolarHBondContact O-N 2.82Å; L275-S278 PolarHBondContact O-N 3.36Å; E276-S278 VanDerWaalsContact C-N 3.26Å; E276-S278 PolarHBondContact O-N 3.32Å; S278-S280 VanDerWaalsContact C-N 3.35Å; S278-S280 PolarHBondContact O-N 3.5Å; S278-K281 WeakPolarHBondContact O-CB 3.4Å; S278-K281 PolarHBondContact O-N 3.31Å; S278-V282 WeakPolarHBondContact O-CG2 3.36Å; S278-V282 PolarHBondContact O-N 3.43Å; S278-V282 VanDerWaalsContact O-N 3.14Å
279L97Very high95.7Very high0 Ų052.2 Ų52.20%026%0.258CS..Hα-helixtrans-64.6-36.6-179.8-173.660.2000112.6F257 L275 E276 K281 V282 V283 L288 M293 A296 R297F257-L279 HydrophobicContact CD1-CD1 4.5Å; F257-L279 HydrophobicContact CD2-CB 4.16Å; F257-L279 HydrophobicContact CD2-CD1 4.39Å; F257-L279 HydrophobicContact CE1-CD1 4.19Å; F257-L279 HydrophobicContact CE2-CB 3.93Å; F257-L279 HydrophobicContact CE2-CD1 4.07Å; F257-L279 HydrophobicContact CE2-CD2 4.43Å; F257-L279 HydrophobicContact CE2-CG 4.37Å; F257-L279 HydrophobicContact CZ-CD1 3.96Å; F257-L279 HydrophobicContact CZ-CD2 4.44Å; L275-L279 WeakPolarHBondContact O-CB 3.39Å; L275-L279 PolarHBondContact O-N 3.41Å; E276-L279 PolarHBondContact O-N 2.86Å; E276-L279 VanDerWaalsContact O-N 3.14Å; L279-K281 VanDerWaalsContact C-N 3.31Å; L279-K281 PolarHBondContact O-N 3.07Å; L279-V282 WeakPolarHBondContact O-CB 3.49Å; L279-V282 PolarHBondContact O-N 2.88Å; L279-V283 WeakPolarHBondContact O-CG2 3.46Å; L279-V283 PolarHBondContact O-N 3.39Å; L279-V283 VanDerWaalsContact O-N 3.12Å; L279-L288 HydrophobicContact CD1-CD2 3.74Å; L279-M293 HydrophobicContact CD2-CB 4.14Å; L279-M293 HydrophobicContact CD2-CE 4.42Å; L279-M293 HydrophobicContact CD2-CG 4.46Å; L279-M293 WeakPolarHBondContact CD2-O 3.42Å; L279-M293 HydrophobicContact CG-CE 4.17Å; L279-M293 HydrophobicContact CG-CG 4.45Å; L279-A296 HydrophobicContact CD1-CB 4.18Å; L279-R297 HydrophobicContact CD2-CB 4.04Å
280S95.4Very high95.6Very high54 Ų5455.1 Ų55.138%0.37828%0.282SS..Hα-helixtrans-59.7-41.5173.5-59.80000111.7E276 S278 V283 Q284E276-S280 PolarHBondContact O-N 3.47Å; E276-S280 PolarHBondContact O-OG 3.1Å; E276-S280 VanDerWaalsContact O-OG 3.05Å; S278-S280 VanDerWaalsContact C-N 3.35Å; S278-S280 PolarHBondContact O-N 3.5Å; S280-V283 PolarHBondContact O-N 3.27Å; S280-Q284 WeakPolarHBondContact O-CB 3.37Å; S280-Q284 PolarHBondContact O-N 3.41Å
281K92.4Very high95.5Very high89 Ų8957.1 Ų57.139%0.38730%0.301SS..Hα-helixtrans-65.3-39.3176.3-68.8-173.4174.9-157.80112.5L253 S278 L279 V283 Q284 K285L253-K281 HydrophobicContact CD1-CB 4.32Å; S278-K281 WeakPolarHBondContact O-CB 3.4Å; S278-K281 PolarHBondContact O-N 3.31Å; L279-K281 VanDerWaalsContact C-N 3.31Å; L279-K281 PolarHBondContact O-N 3.07Å; K281-V283 VanDerWaalsContact C-N 3.32Å; K281-V283 PolarHBondContact O-N 3.4Å; K281-Q284 PolarHBondContact O-N 2.86Å; K281-K285 PolarHBondContact O-N 2.92Å; K281-K285 VanDerWaalsContact O-N 3.11Å
282V96.3Very high95.4Very high0 Ų059.1 Ų59.10%032%0.315CS..Hα-helixtrans-57.6-47.7175.1174.70000110.8L253 Y254 F257 S278 L279 K285 D286 G287 L288L253-V282 HydrophobicContact CB-CG2 3.89Å; L253-V282 WeakPolarHBondContact O-CG2 3.27Å; Y254-V282 HydrophobicContact CD2-CG1 3.91Å; Y254-V282 HydrophobicContact CG-CG1 4.38Å; F257-V282 HydrophobicContact CB-CG2 4.06Å; S278-V282 WeakPolarHBondContact O-CG2 3.36Å; S278-V282 PolarHBondContact O-N 3.43Å; S278-V282 VanDerWaalsContact O-N 3.14Å; L279-V282 WeakPolarHBondContact O-CB 3.49Å; L279-V282 PolarHBondContact O-N 2.88Å; V282-K285 CarbonylContact O-C 3.45Å; V282-K285 PolarHBondContact O-N 2.93Å; V282-D286 PolarHBondContact O-N 3.22Å; V282-G287 PolarHBondContact O-N 3.31Å; V282-L288 HydrophobicContact CG1-CB 3.66Å
283V95.3Very high95.4Very high29 Ų2960.6 Ų60.618%0.17632%0.322CS..Hα-helixtrans-69.1-38.8-178.4176.10000111L279 S280 K281 K285 D286 L288 A290 M293L279-V283 WeakPolarHBondContact O-CG2 3.46Å; L279-V283 PolarHBondContact O-N 3.39Å; L279-V283 VanDerWaalsContact O-N 3.12Å; S280-V283 PolarHBondContact O-N 3.27Å; K281-V283 VanDerWaalsContact C-N 3.32Å; K281-V283 PolarHBondContact O-N 3.4Å; V283-K285 PolarHBondContact O-N 3.36Å; V283-D286 PolarHBondContact O-N 3.27Å; V283-D286 VanDerWaalsContact O-N 3.13Å; V283-L288 HydrophobicContact CG2-CB 4.43Å; V283-L288 WeakPolarHBondContact CG2-O 3.46Å; V283-A290 HydrophobicContact CG1-CB 3.96Å; V283-M293 HydrophobicContact CB-SD 4.42Å; V283-M293 HydrophobicContact CG1-SD 4.33Å; V283-M293 HydrophobicContact CG2-CE 4.06Å; V283-M293 HydrophobicContact CG2-CG 3.5Å; V283-M293 HydrophobicContact CG2-SD 3.75Å
284Q89.9Confident95.3Very high147 Ų14758.9 Ų58.969%0.68732%0.32SS*.Hα-helixtrans-61.8-30.1176.8-172.8-178.620.100113S280 K281S280-Q284 WeakPolarHBondContact O-CB 3.37Å; S280-Q284 PolarHBondContact O-N 3.41Å; K281-Q284 PolarHBondContact O-N 2.86Å
285K90.1Very high95.3Very high70 Ų7061.2 Ų61.230%0.30433%0.332SS..THydrogen-bonded Turntrans-103.124.1176.4-66.7-70.6-174.1-178.40112.5D241 G250 L253 K281 V282 V283 G287D241-K285 IonicContact OD1-NZ 2.88Å; D241-K285 IonicContact OD2-NZ 3.85Å; D241-K285 PolarHBondContact OD2-NZ 3.39Å; G250-K285 VanDerWaalsContact CA-O 3.25Å; G250-K285 WeakPolarHBondContact CA-O 3.44Å; L253-K285 HydrophobicContact CD1-CB 3.99Å; L253-K285 HydrophobicContact CD1-CG 3.86Å; K281-K285 PolarHBondContact O-N 2.92Å; K281-K285 VanDerWaalsContact O-N 3.11Å; V282-K285 CarbonylContact O-C 3.45Å; V282-K285 PolarHBondContact O-N 2.93Å; V283-K285 PolarHBondContact O-N 3.36Å; K285-G287 PolarHBondContact O-N 2.9Å
286D92.4Very high95.3Very high150 Ų15061.4 Ų61.480%0.80233%0.333SS*.THydrogen-bonded Turntrans57.619.8175-63.8-51.5000116.4V282 V283 L288V282-D286 PolarHBondContact O-N 3.22Å; V283-D286 PolarHBondContact O-N 3.27Å; V283-D286 VanDerWaalsContact O-N 3.13Å; D286-L288 VanDerWaalsContact C-N 3.26Å; D286-L288 PolarHBondContact O-N 3.39Å
287G94.8Very high95.3Very high17 Ų1760.3 Ų60.318%0.17533%0.328CS..SBendtrans-74.2-15.5175.900000114V282 K285V282-G287 PolarHBondContact O-N 3.31Å; K285-G287 PolarHBondContact O-N 2.9Å
288L96.8Very high95.3Very high23 Ų2352.1 Ų52.112%0.1230%0.297CS..SBendtrans-154.9136.6176.4-174.781.9000109.7Y254 L279 V282 V283 D286 A296Y254-L288 HydrophobicContact CE2-CD1 4.09Å; L279-L288 HydrophobicContact CD1-CD2 3.74Å; V282-L288 HydrophobicContact CG1-CB 3.66Å; V283-L288 HydrophobicContact CG2-CB 4.43Å; V283-L288 WeakPolarHBondContact CG2-O 3.46Å; D286-L288 VanDerWaalsContact C-N 3.26Å; D286-L288 PolarHBondContact O-N 3.39Å; L288-A296 HydrophobicContact CD2-CB 3.59Å
289P96.3Very high95.3Very high75 Ų7553.3 Ų53.349%0.48730%0.3SS..  trans-66.7141.4174.226.9-34.2000111.7S291 S292P289-S291 PolarHBondContact O-N 3.02Å; P289-S291 VanDerWaalsContact O-N 3.12Å; P289-S292 PolarHBondContact O-N 3.31Å
290A95.4Very high95.4Very high65 Ų6553.4 Ų53.454%0.53730%0.3SS..G310 helixtrans-54.1-34.4-179.900000113.3V283 S292 M293V283-A290 HydrophobicContact CG1-CB 3.96Å; A290-S292 PolarHBondContact O-N 3.49Å; A290-M293 HydrophobicContact CB-SD 4.39Å; A290-M293 WeakPolarHBondContact O-CB 3.4Å; A290-M293 VanDerWaalsContact O-CG 3.27Å; A290-M293 WeakPolarHBondContact O-CG 3.41Å; A290-M293 PolarHBondContact O-N 3.37Å
291S95.5Very high95.4Very high111 Ų11150.9 Ų50.978%0.77628%0.282SS*.G310 helixtrans-61-23.9176.560.30000113.8P289P289-S291 PolarHBondContact O-N 3.02Å; P289-S291 VanDerWaalsContact O-N 3.12Å
292S96Very high95.6Very high41 Ų4148.2 Ų48.229%0.28727%0.272SS..G310 helixtrans-96.8-1.3-178.6-650000113.7P289 A290 N294 K295 A296P289-S292 PolarHBondContact O-N 3.31Å; A290-S292 PolarHBondContact O-N 3.49Å; S292-N294 PolarHBondContact O-N 3.09Å; S292-K295 PolarHBondContact O-N 3.49Å; S292-A296 WeakPolarHBondContact O-CB 3.46Å; S292-A296 PolarHBondContact O-N 2.88Å
293M96.6Very high95.6Very high31 Ų3154.5 Ų54.515%0.15330%0.3CS..Hα-helixtrans-56.7-49.1-176.9-73.5179.48300112.8L279 V283 A290 K295 A296 R297L279-M293 HydrophobicContact CD2-CB 4.14Å; L279-M293 HydrophobicContact CD2-CE 4.42Å; L279-M293 HydrophobicContact CD2-CG 4.46Å; L279-M293 WeakPolarHBondContact CD2-O 3.42Å; L279-M293 HydrophobicContact CG-CE 4.17Å; L279-M293 HydrophobicContact CG-CG 4.45Å; V283-M293 HydrophobicContact CB-SD 4.42Å; V283-M293 HydrophobicContact CG1-SD 4.33Å; V283-M293 HydrophobicContact CG2-CE 4.06Å; V283-M293 HydrophobicContact CG2-CG 3.5Å; V283-M293 HydrophobicContact CG2-SD 3.75Å; A290-M293 HydrophobicContact CB-SD 4.39Å; A290-M293 WeakPolarHBondContact O-CB 3.4Å; A290-M293 VanDerWaalsContact O-CG 3.27Å; A290-M293 WeakPolarHBondContact O-CG 3.41Å; A290-M293 PolarHBondContact O-N 3.37Å; M293-K295 VanDerWaalsContact C-N 3.27Å; M293-K295 PolarHBondContact O-N 3.19Å; M293-A296 PolarHBondContact O-N 3.23Å; M293-R297 WeakPolarHBondContact O-CB 3.36Å; M293-R297 PolarHBondContact O-N 3.32Å
294N97.3Very high95.6Very high49 Ų4953.2 Ų53.226%0.26229%0.292SS..Hα-helixtrans-61-39.6-177.7-64.9-14.6000111.8S292 R297 I298 P324S292-N294 PolarHBondContact O-N 3.09Å; N294-R297 PolarHBondContact OD1-NH1 3Å; N294-I298 WeakPolarHBondContact O-CG1 3.45Å; N294-I298 PolarHBondContact O-N 3.45Å; N294-P324 HydrophobicContact CB-CB 3.94Å; N294-P324 HydrophobicContact CB-CG 3.72Å
295K96.6Very high95.8Very high109 Ų10946.3 Ų46.347%0.47426%0.26SS..Hα-helixtrans-66.6-50.1176.5-174.1-179.6176.9-1760111.3S292 M293 R297 I298 E299 P324S292-K295 PolarHBondContact O-N 3.49Å; M293-K295 VanDerWaalsContact C-N 3.27Å; M293-K295 PolarHBondContact O-N 3.19Å; K295-R297 VanDerWaalsContact C-N 3.28Å; K295-R297 PolarHBondContact O-N 3.39Å; K295-I298 PolarHBondContact O-N 3.24Å; K295-E299 VanDerWaalsContact CE-OE1 3.26Å; K295-E299 WeakPolarHBondContact CE-OE1 3.48Å; K295-E299 WeakPolarHBondContact O-CG 3.41Å; K295-E299 PolarHBondContact O-N 2.89Å; K295-P324 HydrophobicContact CB-CG 4.22Å
296A97.3Very high95.8Very high5 Ų546.8 Ų46.84%0.04127%0.269CS..Hα-helixtrans-58.7-40.9178.900000111.8F257 L279 L288 S292 M293 E299 Q300F257-A296 HydrophobicContact CE1-CB 4.22Å; F257-A296 HydrophobicContact CZ-CB 4.35Å; L279-A296 HydrophobicContact CD1-CB 4.18Å; L288-A296 HydrophobicContact CD2-CB 3.59Å; S292-A296 WeakPolarHBondContact O-CB 3.46Å; S292-A296 PolarHBondContact O-N 2.88Å; M293-A296 PolarHBondContact O-N 3.23Å; A296-E299 PolarHBondContact O-N 3.31Å; A296-Q300 WeakPolarHBondContact O-CB 3.29Å; A296-Q300 PolarHBondContact O-N 2.84Å
297R97.5Very high95.4Very high5 Ų542.6 Ų42.62%0.01926%0.261CS..Hα-helixtrans-58.8-51.8175.7-173.6-175.9-57.51114.9112.1L272 E276 L279 M293 N294 K295 E299 Q300 L301 L330L272-R297 HydrophobicContact CD1-CG 3.75Å; E276-R297 IonicContact OE1-CZ 2.85Å; E276-R297 IonicContact OE1-NH2 3.46Å; E276-R297 PolarHBondContact OE1-NH2 3.21Å; E276-R297 IonicContact OE2-CZ 2.77Å; E276-R297 IonicContact OE2-NE 3.07Å; E276-R297 PolarHBondContact OE2-NE 2.97Å; E276-R297 IonicContact OE2-NH2 2.66Å; E276-R297 PolarHBondContact OE2-NH2 3.4Å; L279-R297 HydrophobicContact CD2-CB 4.04Å; M293-R297 WeakPolarHBondContact O-CB 3.36Å; M293-R297 PolarHBondContact O-N 3.32Å; N294-R297 PolarHBondContact OD1-NH1 3Å; K295-R297 VanDerWaalsContact C-N 3.28Å; K295-R297 PolarHBondContact O-N 3.39Å; R297-E299 PolarHBondContact O-N 2.88Å; R297-Q300 PolarHBondContact O-N 2.82Å; R297-L301 VanDerWaalsContact O-CB 3.3Å; R297-L301 WeakPolarHBondContact O-CB 3.47Å; R297-L301 PolarHBondContact O-N 3.2Å; R297-L330 HydrophobicContact CG-CD2 4.4Å
298I97Very high95.3Very high1 Ų142.4 Ų42.41%0.00526%0.257CS..Hα-helixtrans-62.9-44.1179.2-69.9-69.9000111.1N294 K295 Q300 L301 L302 L317 K321 P324 P325 L330N294-I298 WeakPolarHBondContact O-CG1 3.45Å; N294-I298 PolarHBondContact O-N 3.45Å; K295-I298 PolarHBondContact O-N 3.24Å; I298-Q300 VanDerWaalsContact C-N 3.31Å; I298-Q300 PolarHBondContact O-N 3.3Å; I298-L301 PolarHBondContact O-N 2.97Å; I298-L302 HydrophobicContact CG2-CD1 3.91Å; I298-L302 HydrophobicContact CG2-CG 4.45Å; I298-L302 WeakPolarHBondContact O-CB 3.33Å; I298-L302 VanDerWaalsContact O-CG 3.29Å; I298-L302 WeakPolarHBondContact O-CG 3.32Å; I298-L302 PolarHBondContact O-N 3.27Å; I298-L317 HydrophobicContact CD1-CD2 3.98Å; I298-K321 HydrophobicContact CG2-CG 4.18Å; I298-P324 HydrophobicContact CG1-CB 3.85Å; I298-P325 HydrophobicContact CD1-CG 4.03Å; I298-L330 HydrophobicContact CD1-CD1 4.15Å; I298-L330 HydrophobicContact CD1-CD2 3.72Å
299E96.5Very high95Very high48 Ų4846 Ų4622%0.22428%0.276CS..Hα-helixtrans-61.1-41.3177.7-74.5-176.3-168.400112.5R258 K295 A296 R297 K303R258-E299 IonicContact CZ-OE2 3.84Å; R258-E299 IonicContact NH1-OE2 3.93Å; R258-E299 IonicContact NH2-OE2 2.97Å; R258-E299 PolarHBondContact NH2-OE2 3.29Å; K295-E299 VanDerWaalsContact CE-OE1 3.26Å; K295-E299 WeakPolarHBondContact CE-OE1 3.48Å; K295-E299 WeakPolarHBondContact O-CG 3.41Å; K295-E299 PolarHBondContact O-N 2.89Å; A296-E299 PolarHBondContact O-N 3.31Å; R297-E299 PolarHBondContact O-N 2.88Å; E299-K303 WeakPolarHBondContact O-CG 3.42Å; E299-K303 PolarHBondContact O-N 2.83Å
300Q97.5Very high94.7Very high3 Ų347.2 Ų47.21%0.01428%0.278CS..Hα-helixtrans-75.2-35.1179.7-168.658.322.100112.1F257 R258 M260 L275 A296 R297 I298 L302 K303 G304F257-Q300 HydrophobicContact CE1-CB 3.83Å; F257-Q300 HydrophobicContact CE1-CG 4.12Å; F257-Q300 HydrophobicContact CE2-CB 3.99Å; F257-Q300 HydrophobicContact CE2-CG 3.98Å; F257-Q300 HydrophobicContact CZ-CB 3.36Å; F257-Q300 HydrophobicContact CZ-CG 3.77Å; F257-Q300 PolarHBondContact O-NE2 3.43Å; R258-Q300 VanDerWaalsContact C-NE2 3.3Å; R258-Q300 PolarHBondContact O-NE2 3.41Å; R258-Q300 PolarHBondContact O-OE1 2.9Å; M260-Q300 PolarHBondContact O-NE2 3.01Å; L275-Q300 HydrophobicContact CD2-CB 4.2Å; L275-Q300 HydrophobicContact CD2-CG 3.44Å; L275-Q300 VanDerWaalsContact CD2-CG 3.44Å; A296-Q300 WeakPolarHBondContact O-CB 3.29Å; A296-Q300 PolarHBondContact O-N 2.84Å; R297-Q300 PolarHBondContact O-N 2.82Å; I298-Q300 VanDerWaalsContact C-N 3.31Å; I298-Q300 PolarHBondContact O-N 3.3Å; Q300-L302 VanDerWaalsContact C-N 3.32Å; Q300-L302 PolarHBondContact O-N 2.86Å; Q300-K303 PolarHBondContact O-N 3.05Å; Q300-G304 WeakPolarHBondContact O-CA 3.3Å; Q300-G304 PolarHBondContact O-N 3.13Å
301L96.8Very high94.5Very high0 Ų044.6 Ų44.60%026%0.255CS..Hα-helixtrans-62.1-43.4173.4-16565.3000110.7L268 F271 L272 L275 R297 I298 K303 A305 L312 L317 L330 I334L268-L301 HydrophobicContact CD1-CD1 3.65Å; L268-L301 HydrophobicContact CD1-CG 4.33Å; F271-L301 HydrophobicContact CD1-CD1 3.71Å; F271-L301 HydrophobicContact CE1-CD1 3.88Å; L272-L301 HydrophobicContact CD1-CD1 4.34Å; L272-L301 HydrophobicContact CD1-CD2 4.31Å; L275-L301 HydrophobicContact CD1-CB 4.47Å; L275-L301 HydrophobicContact CD1-CD1 3.84Å; R297-L301 VanDerWaalsContact O-CB 3.3Å; R297-L301 WeakPolarHBondContact O-CB 3.47Å; R297-L301 PolarHBondContact O-N 3.2Å; I298-L301 PolarHBondContact O-N 2.97Å; L301-K303 VanDerWaalsContact C-N 3.26Å; L301-K303 PolarHBondContact O-N 3.18Å; L301-A305 HydrophobicContact CD1-CB 4.3Å; L301-A305 WeakPolarHBondContact O-CB 3.44Å; L301-A305 PolarHBondContact O-N 3.12Å; L301-L312 HydrophobicContact CD2-CD2 4.46Å; L301-L312 HydrophobicContact CG-CD2 4.1Å; L301-L317 HydrophobicContact CD2-CD1 3.67Å; L301-L317 HydrophobicContact CG-CD1 4.37Å; L301-L330 HydrophobicContact CD2-CD2 3.98Å; L301-I334 HydrophobicContact CD2-CD1 4.08Å
302L95.8Very high94.5Very high33 Ų3339.8 Ų39.817%0.17322%0.22CC..Hα-helixtrans-64.3-25.2176-75.6171000114.4I298 Q300 L312 L317 R318 K321I298-L302 HydrophobicContact CG2-CD1 3.91Å; I298-L302 HydrophobicContact CG2-CG 4.45Å; I298-L302 WeakPolarHBondContact O-CB 3.33Å; I298-L302 VanDerWaalsContact O-CG 3.29Å; I298-L302 WeakPolarHBondContact O-CG 3.32Å; I298-L302 PolarHBondContact O-N 3.27Å; Q300-L302 VanDerWaalsContact C-N 3.32Å; Q300-L302 PolarHBondContact O-N 2.86Å; L302-L312 HydrophobicContact CD2-CB 4.43Å; L302-L312 HydrophobicContact CD2-CD1 4.41Å; L302-L317 HydrophobicContact CD2-CB 3.87Å; L302-L317 HydrophobicContact CG-CB 4.26Å; L302-R318 HydrophobicContact CD1-CG 4.23Å; L302-R318 HydrophobicContact CD2-CG 3.68Å; L302-K321 HydrophobicContact CD1-CD 4.34Å; L302-K321 HydrophobicContact CD1-CG 4.24Å
303K95.8Very high94.3Very high133 Ų13343.3 Ų43.358%0.57824%0.235SC*.Hα-helixtrans-93.7-38.7179.2-73.1176.2178.3-176.80112.7R258 E299 Q300 L301R258-K303 VanDerWaalsContact NH2-NZ 3.15Å; E299-K303 WeakPolarHBondContact O-CG 3.42Å; E299-K303 PolarHBondContact O-N 2.83Å; Q300-K303 PolarHBondContact O-N 3.05Å; L301-K303 VanDerWaalsContact C-N 3.26Å; L301-K303 PolarHBondContact O-N 3.18Å
304G95.3Very high94.1Very high1 Ų144.7 Ų44.71%0.0124%0.241CC..Hα-helixtrans-98.4-16.6-16800000114.6Q261 Q262 F271 Q300 V306Q261-G304 CarbonylContact C-O 3.49Å; Q261-G304 WeakPolarHBondContact CA-O 3.48Å; Q262-G304 PolarHBondContact N-O 3.5Å; F271-G304 VanDerWaalsContact CE1-C 3.5Å; Q300-G304 WeakPolarHBondContact O-CA 3.3Å; Q300-G304 PolarHBondContact O-N 3.13Å; G304-V306 PolarHBondContact O-N 3.49Å
305A95.7Very high94Very high2 Ų243.2 Ų43.22%0.01723%0.233CC..  trans-80.560.4179.500000112.4L268 F271 L301 G307 S308 L312L268-A305 HydrophobicContact CD1-CB 3.59Å; F271-A305 HydrophobicContact CD1-CB 4.12Å; F271-A305 HydrophobicContact CE1-CB 4.02Å; L301-A305 HydrophobicContact CD1-CB 4.3Å; L301-A305 WeakPolarHBondContact O-CB 3.44Å; L301-A305 PolarHBondContact O-N 3.12Å; A305-G307 PolarHBondContact O-N 2.74Å; A305-S308 PolarHBondContact O-N 3.48Å; A305-S308 VanDerWaalsContact O-N 3.14Å; A305-L312 HydrophobicContact CB-CD1 4.07Å; A305-L312 HydrophobicContact CB-CD2 4.02Å; A305-L312 HydrophobicContact CB-CG 4.44Å
306V88.7Confident93.9Very high80 Ų8045.6 Ų45.649%0.48524%0.239SC..THydrogen-bonded Turntrans-61.9-4.1-173.2-670000115.3Q261 Q262 G304Q261-V306 HydrophobicContact CB-CG2 4.48Å; Q262-V306 HydrophobicContact CB-CG2 4.42Å; Q262-V306 WeakPolarHBondContact O-CG2 3.48Å; G304-V306 PolarHBondContact O-N 3.49Å
307G85Confident93.7Very high62 Ų6245.4 Ų45.464%0.63924%0.237SC*.THydrogen-bonded Turntrans-12611.7178.400000114.5A305A305-G307 PolarHBondContact O-N 2.74Å
308S92.5Very high93.5Very high13 Ų1353.9 Ų53.99%0.09127%0.269CS..  trans-134.426.4-172.3-60.30000113.8Q262 A305 L310 M311 L312Q262-S308 PolarHBondContact NE2-OG 3.36Å; Q262-S308 PolarHBondContact OE1-OG 3.23Å; A305-S308 PolarHBondContact O-N 3.48Å; A305-S308 VanDerWaalsContact O-N 3.14Å; S308-L310 VanDerWaalsContact C-N 3.29Å; S308-L310 PolarHBondContact O-N 3.31Å; S308-M311 WeakPolarHBondContact O-CB 3.37Å; S308-M311 PolarHBondContact O-N 3.19Å; S308-L312 WeakPolarHBondContact O-CG 3.37Å; S308-L312 PolarHBondContact O-N 2.91Å
309D89.8Confident93.3Very high98 Ų9860.8 Ų60.852%0.52430%0.301SS..Hα-helixtrans-50.9-43.3-176.7-69.9-49.2000114M311 L312 I313D309-M311 VanDerWaalsContact C-N 3.34Å; D309-M311 PolarHBondContact O-N 3.35Å; D309-L312 PolarHBondContact O-N 3.03Å; D309-I313 VanDerWaalsContact O-CG1 3.31Å; D309-I313 WeakPolarHBondContact O-CG1 3.37Å; D309-I313 PolarHBondContact O-N 3.39Å
310L89.7Confident93.1Very high101 Ų10161.9 Ų61.953%0.52930%0.303SS..Hα-helixtrans-61.5-43.9179.1-176.362.8000111.5S308 I313 Q314S308-L310 VanDerWaalsContact C-N 3.29Å; S308-L310 PolarHBondContact O-N 3.31Å; L310-I313 WeakPolarHBondContact O-CB 3.43Å; L310-I313 PolarHBondContact O-N 3.03Å; L310-Q314 WeakPolarHBondContact O-CG 3.25Å; L310-Q314 PolarHBondContact O-N 3.42Å
311M92.4Very high92.8Very high11 Ų1166.5 Ų66.55%0.05432%0.324CS..Hα-helixtrans-63.6-41.8175.6-64.6-1757700111.6L268 S308 D309 I313 Q314 L315 I334 E337 E338 E341L268-M311 HydrophobicContact CB-CE 4.49Å; L268-M311 HydrophobicContact CB-SD 4.2Å; L268-M311 HydrophobicContact CD2-CB 3.99Å; L268-M311 HydrophobicContact CD2-CE 4.17Å; L268-M311 HydrophobicContact CD2-SD 4.09Å; S308-M311 WeakPolarHBondContact O-CB 3.37Å; S308-M311 PolarHBondContact O-N 3.19Å; D309-M311 VanDerWaalsContact C-N 3.34Å; D309-M311 PolarHBondContact O-N 3.35Å; M311-I313 PolarHBondContact O-N 3.28Å; M311-Q314 PolarHBondContact O-N 2.99Å; M311-L315 VanDerWaalsContact O-CB 3.3Å; M311-L315 WeakPolarHBondContact O-CB 3.36Å; M311-L315 WeakPolarHBondContact O-CD1 3.46Å; M311-L315 WeakPolarHBondContact O-CG 3.24Å; M311-L315 PolarHBondContact O-N 2.94Å; M311-I334 HydrophobicContact CE-CG2 4.34Å; M311-E337 HydrophobicContact CE-CB 3.93Å; M311-E337 HydrophobicContact CE-CG 4.04Å; M311-E338 HydrophobicContact CE-CB 4.3Å; M311-E338 HydrophobicContact CE-CG 3.43Å; M311-E338 VanDerWaalsContact CE-CG 3.43Å; M311-E338 HydrophobicContact SD-CG 4.33Å; M311-E341 WeakPolarHBondContact CG-OE1 3.49Å
312L94.3Very high92.5Very high9 Ų970.3 Ų70.35%0.04736%0.363CS..Hα-helixtrans-60.7-34.8177.1-55.3177.2000111.7L268 L301 L302 A305 S308 D309 R316 L317L268-L312 HydrophobicContact CD1-CD2 4.39Å; L268-L312 HydrophobicContact CD2-CD2 4.15Å; L301-L312 HydrophobicContact CD2-CD2 4.46Å; L301-L312 HydrophobicContact CG-CD2 4.1Å; L302-L312 HydrophobicContact CD2-CB 4.43Å; L302-L312 HydrophobicContact CD2-CD1 4.41Å; A305-L312 HydrophobicContact CB-CD1 4.07Å; A305-L312 HydrophobicContact CB-CD2 4.02Å; A305-L312 HydrophobicContact CB-CG 4.44Å; S308-L312 WeakPolarHBondContact O-CG 3.37Å; S308-L312 PolarHBondContact O-N 2.91Å; D309-L312 PolarHBondContact O-N 3.03Å; L312-R316 PolarHBondContact O-N 3.13Å; L312-L317 HydrophobicContact CB-CD1 4.45Å; L312-L317 HydrophobicContact CD2-CD1 3.6Å; L312-L317 PolarHBondContact O-N 3.19Å
313I93.2Very high92.4Very high115 Ų11575.3 Ų75.359%0.5939%0.39SS*.Hα-helixtrans-70.6-49175.1-66.3164.3000110.6D309 L310 M311 L315 R316D309-I313 VanDerWaalsContact O-CG1 3.31Å; D309-I313 WeakPolarHBondContact O-CG1 3.37Å; D309-I313 PolarHBondContact O-N 3.39Å; L310-I313 WeakPolarHBondContact O-CB 3.43Å; L310-I313 PolarHBondContact O-N 3.03Å; M311-I313 PolarHBondContact O-N 3.28Å; I313-L315 VanDerWaalsContact C-N 3.28Å; I313-L315 PolarHBondContact O-N 3.37Å; I313-R316 WeakPolarHBondContact O-CA 3.37Å; I313-R316 PolarHBondContact O-N 3.28Å
314Q92.3Very high92.4Very high61 Ų6170.3 Ų70.329%0.28537%0.371SS..Hα-helixtrans-58.5-40.7178.9-73.7165.9-39.200112L310 M311 R316 E337 E341L310-Q314 WeakPolarHBondContact O-CG 3.25Å; L310-Q314 PolarHBondContact O-N 3.42Å; M311-Q314 PolarHBondContact O-N 2.99Å; Q314-R316 PolarHBondContact O-N 3.43Å; Q314-E337 HydrophobicContact CB-CG 4.45Å; Q314-E337 PolarHBondContact NE2-OE1 3.46Å; Q314-E337 VanDerWaalsContact NE2-OE1 3.16Å; Q314-E337 PolarHBondContact OE1-OE1 3.48Å; Q314-E341 PolarHBondContact OE1-OE1 3.11Å
315L94Very high92.4Very high18 Ų1870.5 Ų70.59%0.09437%0.372CS..THydrogen-bonded Turntrans-77.4-3.9177-65168.2000113.6L268 M311 I313 L317 E333 I334 E337L268-L315 HydrophobicContact CD2-CD1 4.34Å; M311-L315 VanDerWaalsContact O-CB 3.3Å; M311-L315 WeakPolarHBondContact O-CB 3.36Å; M311-L315 WeakPolarHBondContact O-CD1 3.46Å; M311-L315 WeakPolarHBondContact O-CG 3.24Å; M311-L315 PolarHBondContact O-N 2.94Å; I313-L315 VanDerWaalsContact C-N 3.28Å; I313-L315 PolarHBondContact O-N 3.37Å; L315-L317 HydrophobicContact CB-CD1 4.41Å; L315-L317 HydrophobicContact CB-CD2 3.77Å; L315-L317 HydrophobicContact CB-CG 3.76Å; L315-L317 PolarHBondContact O-N 2.92Å; L315-E333 HydrophobicContact CD2-CB 3.91Å; L315-I334 HydrophobicContact CD1-CB 4.48Å; L315-I334 HydrophobicContact CD1-CG1 3.51Å; L315-E337 HydrophobicContact CD2-CB 4.34Å
316R94.6Very high92.5Very high159 Ų15973.2 Ų73.260%0.639%0.388SS*.THydrogen-bonded Turntrans5237.4178.9-55-175.5-173.7-171.80.5113.6L312 I313 Q314 R318 E319 R320L312-R316 PolarHBondContact O-N 3.13Å; I313-R316 WeakPolarHBondContact O-CA 3.37Å; I313-R316 PolarHBondContact O-N 3.28Å; Q314-R316 PolarHBondContact O-N 3.43Å; R316-R318 PolarHBondContact O-N 3.3Å; R316-R318 VanDerWaalsContact O-N 3.16Å; R316-E319 WeakPolarHBondContact CD-OE2 3.39Å; R316-E319 PolarHBondContact O-N 3.47Å; R316-E319 VanDerWaalsContact O-N 3.12Å; R316-R320 PolarHBondContact O-N 2.89Å
317L94Very high92.9Very high0 Ų071.3 Ų71.30%037%0.373CS..THydrogen-bonded Turntrans-65.3-25.2-171.6-59.9-175.3000113.3I298 L301 L302 L312 L315 L330I298-L317 HydrophobicContact CD1-CD2 3.98Å; L301-L317 HydrophobicContact CD2-CD1 3.67Å; L301-L317 HydrophobicContact CG-CD1 4.37Å; L302-L317 HydrophobicContact CD2-CB 3.87Å; L302-L317 HydrophobicContact CG-CB 4.26Å; L312-L317 HydrophobicContact CB-CD1 4.45Å; L312-L317 HydrophobicContact CD2-CD1 3.6Å; L312-L317 PolarHBondContact O-N 3.19Å; L315-L317 HydrophobicContact CB-CD1 4.41Å; L315-L317 HydrophobicContact CB-CD2 3.77Å; L315-L317 HydrophobicContact CB-CG 3.76Å; L315-L317 PolarHBondContact O-N 2.92Å; L317-L330 HydrophobicContact CD1-CD1 4.48Å; L317-L330 HydrophobicContact CD2-CD1 3.59Å
318R92.6Very high93.5Very high184 Ų18474.1 Ų74.169%0.69437%0.373SS*.THydrogen-bonded Turntrans-66.3-38.9175.7-67.3-174.5-179.8-1581.1112.5L302 R316 R320 K321L302-R318 HydrophobicContact CD1-CG 4.23Å; L302-R318 HydrophobicContact CD2-CG 3.68Å; R316-R318 PolarHBondContact O-N 3.3Å; R316-R318 VanDerWaalsContact O-N 3.16Å; R318-R320 VanDerWaalsContact C-N 3.34Å; R318-K321 WeakPolarHBondContact O-CG 3.26Å
319E93.8Very high93.7Very high146 Ų14677 Ų7768%0.68239%0.386SS*.G310 helixtrans-73.7-30.7-178.6-65.8164.9-156.900111.3R316 K321R316-E319 WeakPolarHBondContact CD-OE2 3.39Å; R316-E319 PolarHBondContact O-N 3.47Å; R316-E319 VanDerWaalsContact O-N 3.12Å; E319-K321 VanDerWaalsContact C-N 3.27Å; E319-K321 PolarHBondContact O-N 3.27Å
320R91.9Very high94.1Very high70 Ų7072.4 Ų72.426%0.26436%0.361SS..G310 helixtrans-83.15.6-176.3-62.2173.474.1-178.68.8114.2R316 R318 G322 N323 P324 E333R316-R320 PolarHBondContact O-N 2.89Å; R318-R320 VanDerWaalsContact C-N 3.34Å; R320-G322 PolarHBondContact O-N 3.5Å; R320-N323 CarbonylContact O-C 3.35Å; R320-N323 PolarHBondContact O-N 3.17Å; R320-N323 VanDerWaalsContact O-N 3.14Å; R320-N323 VanDerWaalsContact O-O 3.13Å; R320-P324 VanDerWaalsContact O-CA 3.28Å; R320-P324 WeakPolarHBondContact O-CA 3.36Å; R320-P324 VanDerWaalsContact O-N 3.12Å; R320-E333 IonicContact CZ-OE1 3.74Å; R320-E333 IonicContact CZ-OE2 3.6Å; R320-E333 IonicContact NH1-OE1 3.89Å; R320-E333 PolarHBondContact NH1-OE1 3.02Å; R320-E333 IonicContact NH1-OE2 3.7Å; R320-E333 PolarHBondContact NH1-OE2 3.24Å; R320-E333 IonicContact NH2-OE1 3.05Å; R320-E333 PolarHBondContact NH2-OE1 2.95Å; R320-E333 IonicContact NH2-OE2 3.62Å
321K91.6Very high94.5Very high101 Ų10168.7 Ų68.744%0.43934%0.341SS..G310 helixtrans-58-33.2178-75.4-177.1177.9-174.70113.7I298 L302 R318 E319I298-K321 HydrophobicContact CG2-CG 4.18Å; L302-K321 HydrophobicContact CD1-CD 4.34Å; L302-K321 HydrophobicContact CD1-CG 4.24Å; R318-K321 WeakPolarHBondContact O-CG 3.26Å; E319-K321 VanDerWaalsContact C-N 3.27Å; E319-K321 PolarHBondContact O-N 3.27Å
322G90.6Very high94.8Very high80 Ų8075.8 Ų75.883%0.82537%0.367SS*.G310 helixtrans-76.8-25179.300000114R320R320-G322 PolarHBondContact O-N 3.5Å
323N93.4Very high94.9Very high137 Ų13777.9 Ų77.973%0.73338%0.377SS*.SBendtrans-139.676.7175.7-172.921.9000109.3R320R320-N323 CarbonylContact O-C 3.35Å; R320-N323 PolarHBondContact O-N 3.17Å; R320-N323 VanDerWaalsContact O-N 3.14Å; R320-N323 VanDerWaalsContact O-O 3.13Å
324P95.1Very high95.1Very high28 Ų2872.4 Ų72.418%0.18235%0.349CS..PPolyproline II helixtrans-73.5136.9-170.629-34.6000111.2N294 K295 I298 R320N294-P324 HydrophobicContact CB-CB 3.94Å; N294-P324 HydrophobicContact CB-CG 3.72Å; K295-P324 HydrophobicContact CB-CG 4.22Å; I298-P324 HydrophobicContact CG1-CB 3.85Å; R320-P324 VanDerWaalsContact O-CA 3.28Å; R320-P324 WeakPolarHBondContact O-CA 3.36Å; R320-P324 VanDerWaalsContact O-N 3.12Å
325P95.7Very high95.4Very high6 Ų676.8 Ų76.84%0.03936%0.363CS..PPolyproline II helixtrans-63.7159175.126.1-33.5000112.4I298 E329 L330I298-P325 HydrophobicContact CD1-CG 4.03Å; P325-E329 HydrophobicContact CB-CB 4.11Å; P325-L330 HydrophobicContact CB-CB 4.4Å; P325-L330 HydrophobicContact CG-CB 4.09Å; P325-L330 HydrophobicContact CG-CD1 4.2Å
326T96.9Very high95.5Very high58 Ų5878.8 Ų78.836%0.35638%0.382SS..PPolyproline II helixtrans-67162.7169.6650000111.1L328 E329 L330T326-L328 VanDerWaalsContact C-N 3.31Å; T326-L328 PolarHBondContact O-N 3.38Å; T326-E329 WeakPolarHBondContact CB-OE2 3.29Å; T326-E329 PolarHBondContact N-OE2 3.11Å; T326-E329 PolarHBondContact O-N 3.48Å; T326-E329 WeakPolarHBondContact OG1-CB 3.19Å; T326-E329 WeakPolarHBondContact OG1-CG 3.38Å; T326-E329 PolarHBondContact OG1-N 3.42Å; T326-E329 PolarHBondContact OG1-OE2 3.14Å; T326-L330 WeakPolarHBondContact O-CB 3.35Å; T326-L330 PolarHBondContact O-N 3.37Å
327F97.5Very high95.5Very high40 Ų4073 Ų7318%0.17536%0.362CS..Hα-helixtrans-53.9-46.7177169.5-109.3000112.5L272 R273 E276 L330 L331L272-F327 HydrophobicContact CD2-CD2 4.37Å; L272-F327 HydrophobicContact CD2-CE2 4.3Å; L272-F327 HydrophobicContact CG-CD2 4.24Å; L272-F327 HydrophobicContact CG-CE2 3.98Å; R273-F327 HydrophobicContact CG-CZ 4.31Å; E276-F327 HydrophobicContact CB-CD2 3.86Å; E276-F327 HydrophobicContact CB-CE2 3.52Å; E276-F327 HydrophobicContact CB-CZ 4.07Å; E276-F327 HydrophobicContact CG-CD1 4.32Å; E276-F327 HydrophobicContact CG-CD2 3.71Å; E276-F327 HydrophobicContact CG-CE1 4.33Å; E276-F327 HydrophobicContact CG-CE2 3.71Å; E276-F327 HydrophobicContact CG-CG 4.03Å; E276-F327 HydrophobicContact CG-CZ 4.03Å; E276-F327 WeakPolarHBondContact OE2-CD2 2.94Å; F327-L330 PolarHBondContact O-N 3.24Å; F327-L331 HydrophobicContact CE1-CD2 4.13Å; F327-L331 HydrophobicContact CZ-CD2 3.91Å; F327-L331 WeakPolarHBondContact O-CB 3.32Å; F327-L331 PolarHBondContact O-N 2.92Å
328L97.6Very high95.5Very high121 Ų12174.3 Ų74.363%0.63437%0.368SS*.Hα-helixtrans-70.1-39.8-175.8-66.5178.9000112.5T326 R332T326-L328 VanDerWaalsContact C-N 3.31Å; T326-L328 PolarHBondContact O-N 3.38Å; L328-R332 WeakPolarHBondContact O-CB 3.29Å; L328-R332 PolarHBondContact O-N 2.91Å
329E97.6Very high95.6Very high75 Ų7572.3 Ų72.335%0.3537%0.366SS..Hα-helixtrans-60.9-51.3174.5-71.3165.5154.700110.7P325 T326 L331 R332 E333P325-E329 HydrophobicContact CB-CB 4.11Å; T326-E329 WeakPolarHBondContact CB-OE2 3.29Å; T326-E329 PolarHBondContact N-OE2 3.11Å; T326-E329 PolarHBondContact O-N 3.48Å; T326-E329 WeakPolarHBondContact OG1-CB 3.19Å; T326-E329 WeakPolarHBondContact OG1-CG 3.38Å; T326-E329 PolarHBondContact OG1-N 3.42Å; T326-E329 PolarHBondContact OG1-OE2 3.14Å; E329-L331 VanDerWaalsContact C-N 3.34Å; E329-L331 PolarHBondContact O-N 3.13Å; E329-R332 PolarHBondContact O-N 3.07Å; E329-E333 VanDerWaalsContact O-CG 3.31Å; E329-E333 WeakPolarHBondContact O-CG 3.25Å; E329-E333 PolarHBondContact O-N 2.97Å
330L97.4Very high95.5Very high0 Ų071.6 Ų71.60%036%0.359CS..Hα-helixtrans-61.3-43.2179.7-177.661.2000111.7L272 R297 I298 L301 L317 P325 T326 F327 R332 E333 I334L272-L330 HydrophobicContact CD1-CD2 3.99Å; L272-L330 HydrophobicContact CD2-CB 4.34Å; L272-L330 HydrophobicContact CD2-CD2 3.96Å; L272-L330 HydrophobicContact CD2-CG 3.86Å; R297-L330 HydrophobicContact CG-CD2 4.4Å; I298-L330 HydrophobicContact CD1-CD1 4.15Å; I298-L330 HydrophobicContact CD1-CD2 3.72Å; L301-L330 HydrophobicContact CD2-CD2 3.98Å; L317-L330 HydrophobicContact CD1-CD1 4.48Å; L317-L330 HydrophobicContact CD2-CD1 3.59Å; P325-L330 HydrophobicContact CB-CB 4.4Å; P325-L330 HydrophobicContact CG-CB 4.09Å; P325-L330 HydrophobicContact CG-CD1 4.2Å; T326-L330 WeakPolarHBondContact O-CB 3.35Å; T326-L330 PolarHBondContact O-N 3.37Å; F327-L330 PolarHBondContact O-N 3.24Å; L330-R332 VanDerWaalsContact C-N 3.34Å; L330-R332 PolarHBondContact O-N 3.06Å; L330-E333 PolarHBondContact O-N 2.85Å; L330-I334 HydrophobicContact CD1-CD1 4Å; L330-I334 HydrophobicContact CD1-CG1 4.35Å; L330-I334 HydrophobicContact CG-CD1 3.82Å; L330-I334 WeakPolarHBondContact O-CB 3.12Å; L330-I334 WeakPolarHBondContact O-CD1 3.4Å; L330-I334 VanDerWaalsContact O-CG1 3.29Å; L330-I334 WeakPolarHBondContact O-CG1 3.48Å; L330-I334 PolarHBondContact O-N 3.24Å
331L98.2Very high95.4Very high23 Ų2370.8 Ų70.812%0.1236%0.358CS..Hα-helixtrans-62.6-41.7178.1179.161.7000111.9L272 F327 E329 R335L272-L331 HydrophobicContact CD2-CB 4.07Å; L272-L331 HydrophobicContact CD2-CD1 4.3Å; F327-L331 HydrophobicContact CE1-CD2 4.13Å; F327-L331 HydrophobicContact CZ-CD2 3.91Å; F327-L331 WeakPolarHBondContact O-CB 3.32Å; F327-L331 PolarHBondContact O-N 2.92Å; E329-L331 VanDerWaalsContact C-N 3.34Å; E329-L331 PolarHBondContact O-N 3.13Å; L331-R335 HydrophobicContact CD1-CG 4.4Å; L331-R335 WeakPolarHBondContact O-CB 3.48Å; L331-R335 VanDerWaalsContact O-CG 3.28Å; L331-R335 WeakPolarHBondContact O-CG 3.44Å; L331-R335 PolarHBondContact O-N 3.47Å
332R98Very high95.2Very high160 Ų16068.1 Ų68.160%0.60435%0.354SS*.Hα-helixtrans-63.7-46.4177.2177.1179.758.1-142.3-5111.3L328 E329 L330 R335 A336L328-R332 WeakPolarHBondContact O-CB 3.29Å; L328-R332 PolarHBondContact O-N 2.91Å; E329-R332 PolarHBondContact O-N 3.07Å; L330-R332 VanDerWaalsContact C-N 3.34Å; L330-R332 PolarHBondContact O-N 3.06Å; R332-R335 PolarHBondContact O-N 2.71Å; R332-A336 PolarHBondContact O-N 2.88Å
333E97.2Very high95.2Very high54 Ų5466.6 Ų66.625%0.25233%0.331SS..Hα-helixtrans-62.3-46.3178.4-68.8169.7-166.500111.6L315 R320 E329 L330 R335 A336 E337L315-E333 HydrophobicContact CD2-CB 3.91Å; R320-E333 IonicContact CZ-OE1 3.74Å; R320-E333 IonicContact CZ-OE2 3.6Å; R320-E333 IonicContact NH1-OE1 3.89Å; R320-E333 PolarHBondContact NH1-OE1 3.02Å; R320-E333 IonicContact NH1-OE2 3.7Å; R320-E333 PolarHBondContact NH1-OE2 3.24Å; R320-E333 IonicContact NH2-OE1 3.05Å; R320-E333 PolarHBondContact NH2-OE1 2.95Å; R320-E333 IonicContact NH2-OE2 3.62Å; E329-E333 VanDerWaalsContact O-CG 3.31Å; E329-E333 WeakPolarHBondContact O-CG 3.25Å; E329-E333 PolarHBondContact O-N 2.97Å; L330-E333 PolarHBondContact O-N 2.85Å; E333-R335 VanDerWaalsContact C-N 3.34Å; E333-R335 PolarHBondContact O-N 2.93Å; E333-A336 PolarHBondContact O-N 3.08Å; E333-E337 PolarHBondContact O-N 3.46Å
334I97.2Very high94.8Very high0 Ų066.1 Ų66.10%032%0.319CS..Hα-helixtrans-58.4-46.9175.8-72.3163.3000110.6L268 L272 L301 M311 L315 L330 A336 E337 E338L268-I334 HydrophobicContact CB-CG2 3.87Å; L268-I334 HydrophobicContact CD2-CD1 4.24Å; L268-I334 HydrophobicContact CD2-CG1 4.08Å; L268-I334 HydrophobicContact CD2-CG2 4.07Å; L268-I334 HydrophobicContact CG-CD1 4.17Å; L268-I334 HydrophobicContact CG-CG1 4.42Å; L268-I334 HydrophobicContact CG-CG2 3.94Å; L272-I334 HydrophobicContact CB-CD1 4.48Å; L272-I334 HydrophobicContact CD2-CD1 3.58Å; L301-I334 HydrophobicContact CD2-CD1 4.08Å; M311-I334 HydrophobicContact CE-CG2 4.34Å; L315-I334 HydrophobicContact CD1-CB 4.48Å; L315-I334 HydrophobicContact CD1-CG1 3.51Å; L330-I334 HydrophobicContact CD1-CD1 4Å; L330-I334 HydrophobicContact CD1-CG1 4.35Å; L330-I334 HydrophobicContact CG-CD1 3.82Å; L330-I334 WeakPolarHBondContact O-CB 3.12Å; L330-I334 WeakPolarHBondContact O-CD1 3.4Å; L330-I334 VanDerWaalsContact O-CG1 3.29Å; L330-I334 WeakPolarHBondContact O-CG1 3.48Å; L330-I334 PolarHBondContact O-N 3.24Å; I334-A336 VanDerWaalsContact C-N 3.29Å; I334-A336 PolarHBondContact O-N 3.38Å; I334-E337 PolarHBondContact O-N 2.9Å; I334-E338 HydrophobicContact CG2-CG 4.15Å; I334-E338 WeakPolarHBondContact O-CB 3.26Å; I334-E338 VanDerWaalsContact O-CG 3.29Å; I334-E338 WeakPolarHBondContact O-CG 3.39Å; I334-E338 PolarHBondContact O-N 3.2Å
335R97.6Very high94.1Very high152 Ų15268.1 Ų68.157%0.57434%0.338SS*.Hα-helixtrans-61.7-38.1179.3-76-179.466-172.1-1.7112.6L331 R332 E333 E339L331-R335 HydrophobicContact CD1-CG 4.4Å; L331-R335 WeakPolarHBondContact O-CB 3.48Å; L331-R335 VanDerWaalsContact O-CG 3.28Å; L331-R335 WeakPolarHBondContact O-CG 3.44Å; L331-R335 PolarHBondContact O-N 3.47Å; R332-R335 PolarHBondContact O-N 2.71Å; E333-R335 VanDerWaalsContact C-N 3.34Å; E333-R335 PolarHBondContact O-N 2.93Å; R335-E339 WeakPolarHBondContact O-CB 3.26Å; R335-E339 PolarHBondContact O-N 3.23Å; R335-E339 VanDerWaalsContact O-N 3.08Å
336A96.4Very high93.3Very high61 Ų6176.1 Ų76.150%0.50437%0.372SS..Hα-helixtrans-65.1-43.217600000111.4R332 E333 I334 E339 Y340R332-A336 PolarHBondContact O-N 2.88Å; E333-A336 PolarHBondContact O-N 3.08Å; I334-A336 VanDerWaalsContact C-N 3.29Å; I334-A336 PolarHBondContact O-N 3.38Å; A336-E339 PolarHBondContact O-N 2.94Å; A336-Y340 WeakPolarHBondContact O-CB 3.33Å; A336-Y340 PolarHBondContact O-N 2.89Å
337E95.2Very high92.1Very high36 Ų3680 Ų8017%0.16839%0.39CS..Hα-helixtrans-67-41.6176.5-165.163.4-138.400111.6M311 Q314 L315 E333 I334 E339 Y340 E341M311-E337 HydrophobicContact CE-CB 3.93Å; M311-E337 HydrophobicContact CE-CG 4.04Å; Q314-E337 HydrophobicContact CB-CG 4.45Å; Q314-E337 PolarHBondContact NE2-OE1 3.46Å; Q314-E337 VanDerWaalsContact NE2-OE1 3.16Å; Q314-E337 PolarHBondContact OE1-OE1 3.48Å; L315-E337 HydrophobicContact CD2-CB 4.34Å; E333-E337 PolarHBondContact O-N 3.46Å; I334-E337 PolarHBondContact O-N 2.9Å; E337-E339 VanDerWaalsContact C-N 3.28Å; E337-E339 PolarHBondContact O-N 3.28Å; E337-Y340 WeakPolarHBondContact O-CB 3.38Å; E337-Y340 PolarHBondContact O-N 3.31Å; E337-Y340 VanDerWaalsContact O-N 3.17Å; E337-Y340 WeakPolarHBondContact OE1-CD1 3.43Å; E337-E341 WeakPolarHBondContact O-CG 3.46Å; E337-E341 PolarHBondContact O-N 2.6Å
338E95.1Very high89.9Confident28 Ų2881.7 Ų81.713%0.13141%0.406CS..Hα-helixtrans-57.6-40.9174.6-73.4176.8167.700111.8K267 L268 S269 M311 I334 A342K267-E338 WeakPolarHBondContact CB-OE1 3.31Å; L268-E338 PolarHBondContact N-OE1 2.62Å; L268-E338 VanDerWaalsContact N-OE1 3.1Å; S269-E338 WeakPolarHBondContact CB-OE1 3.41Å; S269-E338 WeakPolarHBondContact CB-OE2 3.36Å; S269-E338 PolarHBondContact N-OE1 3.35Å; S269-E338 PolarHBondContact OG-OE1 3.23Å; S269-E338 PolarHBondContact OG-OE2 3.16Å; M311-E338 HydrophobicContact CE-CB 4.3Å; M311-E338 HydrophobicContact CE-CG 3.43Å; M311-E338 VanDerWaalsContact CE-CG 3.43Å; M311-E338 HydrophobicContact SD-CG 4.33Å; I334-E338 HydrophobicContact CG2-CG 4.15Å; I334-E338 WeakPolarHBondContact O-CB 3.26Å; I334-E338 VanDerWaalsContact O-CG 3.29Å; I334-E338 WeakPolarHBondContact O-CG 3.39Å; I334-E338 PolarHBondContact O-N 3.2Å; E338-A342 VanDerWaalsContact O-CB 3.25Å; E338-A342 WeakPolarHBondContact O-CB 3.47Å; E338-A342 PolarHBondContact O-N 3.04Å
339E94.2Very high87.5Confident142 Ų14280.7 Ų80.766%0.66441%0.407SS*.Hα-helixtrans-72.2-37.3177.6-176.8154.1-147.600112.3R335 A336 E337 A342 S343R335-E339 WeakPolarHBondContact O-CB 3.26Å; R335-E339 PolarHBondContact O-N 3.23Å; R335-E339 VanDerWaalsContact O-N 3.08Å; A336-E339 PolarHBondContact O-N 2.94Å; E337-E339 VanDerWaalsContact C-N 3.28Å; E337-E339 PolarHBondContact O-N 3.28Å; E339-A342 PolarHBondContact O-N 2.93Å; E339-S343 WeakPolarHBondContact O-CB 3.48Å; E339-S343 PolarHBondContact O-N 3.04Å; E339-S343 PolarHBondContact O-OG 3.49Å
340Y91.8Very high84.9Confident132 Ų13282.2 Ų82.252%0.51843%0.427SS..Hα-helixtrans-62.5-47.2172.9-179.2-106000111.5A336 E337 S343 R344A336-Y340 WeakPolarHBondContact O-CB 3.33Å; A336-Y340 PolarHBondContact O-N 2.89Å; E337-Y340 WeakPolarHBondContact O-CB 3.38Å; E337-Y340 PolarHBondContact O-N 3.31Å; E337-Y340 VanDerWaalsContact O-N 3.17Å; E337-Y340 WeakPolarHBondContact OE1-CD1 3.43Å; Y340-S343 WeakPolarHBondContact O-CB 3.43Å; Y340-S343 PolarHBondContact O-N 3.36Å; Y340-R344 HydrophobicContact CD1-CG 4.49Å; Y340-R344 HydrophobicContact CE1-CG 4.14Å; Y340-R344 HydrophobicContact CE2-CG 4.49Å; Y340-R344 WeakPolarHBondContact O-CG 3.34Å; Y340-R344 PolarHBondContact O-N 3.37Å
341E88.6Confident82.3Confident52 Ų5288.6 Ų88.624%0.24347%0.465CS..Hα-helixtrans-62.7-44.1175.3-73.1-165.6155.400112.1M311 Q314 E337 S343 R344 A345M311-E341 WeakPolarHBondContact CG-OE1 3.49Å; Q314-E341 PolarHBondContact OE1-OE1 3.11Å; E337-E341 WeakPolarHBondContact O-CG 3.46Å; E337-E341 PolarHBondContact O-N 2.6Å; E341-S343 PolarHBondContact O-N 3.04Å; E341-R344 PolarHBondContact O-N 3.26Å; E341-A345 WeakPolarHBondContact O-CB 3.46Å; E341-A345 PolarHBondContact O-N 3.38Å
342A88.9Confident79.5Confident45 Ų4596.5 Ų96.537%0.37249%0.493SS..Hα-helixtrans-62.2-34.7176.200000112E338 E339 K346E338-A342 VanDerWaalsContact O-CB 3.25Å; E338-A342 WeakPolarHBondContact O-CB 3.47Å; E338-A342 PolarHBondContact O-N 3.04Å; E339-A342 PolarHBondContact O-N 2.93Å; A342-K346 WeakPolarHBondContact O-CD 3.36Å; A342-K346 VanDerWaalsContact O-CG 3.26Å; A342-K346 WeakPolarHBondContact O-CG 3.47Å; A342-K346 PolarHBondContact O-N 3.42Å
343S88.9Confident76.6Confident48 Ų4891.9 Ų91.934%0.33649%0.489SS..Hα-helixtrans-71-41.7174.9-59.80000111.5E339 Y340 E341 K346 L347E339-S343 WeakPolarHBondContact O-CB 3.48Å; E339-S343 PolarHBondContact O-N 3.04Å; E339-S343 PolarHBondContact O-OG 3.49Å; Y340-S343 WeakPolarHBondContact O-CB 3.43Å; Y340-S343 PolarHBondContact O-N 3.36Å; E341-S343 PolarHBondContact O-N 3.04Å; S343-K346 WeakPolarHBondContact O-CB 3.2Å; S343-K346 PolarHBondContact O-N 3.25Å; S343-L347 WeakPolarHBondContact O-CB 3.35Å; S343-L347 WeakPolarHBondContact O-CG 3.27Å; S343-L347 PolarHBondContact O-N 3.34Å
344R84.7Confident73.7Confident128 Ų12895.6 Ų95.648%0.48352%0.515SS..Hα-helixtrans-63.7-40173.8-75-173.865.9-132.71.6112.7Y340 E341 K346 L347 S348Y340-R344 HydrophobicContact CD1-CG 4.49Å; Y340-R344 HydrophobicContact CE1-CG 4.14Å; Y340-R344 HydrophobicContact CE2-CG 4.49Å; Y340-R344 WeakPolarHBondContact O-CG 3.34Å; Y340-R344 PolarHBondContact O-N 3.37Å; E341-R344 PolarHBondContact O-N 3.26Å; R344-K346 PolarHBondContact O-N 3.48Å; R344-L347 CarbonylContact O-C 3.55Å; R344-L347 PolarHBondContact O-N 2.96Å; R344-L347 VanDerWaalsContact O-N 3.08Å; R344-S348 PolarHBondContact O-N 3.37Å; R344-S348 PolarHBondContact O-OG 2.98Å
345A80.6Confident70.7Confident69 Ų69102.9 Ų102.957%0.5755%0.549SS*.Hα-helixtrans-63.3-30.8176.200000112.3E341 S348E341-A345 WeakPolarHBondContact O-CB 3.46Å; E341-A345 PolarHBondContact O-N 3.38Å; A345-S348 PolarHBondContact O-OG 3.22Å
346K79.1Confident67.8Low174 Ų174101 Ų10176%0.75756%0.557SS**Hα-helixtrans-76.2-32.6172.3-66.7165.3-171172.60112.5A342 S343 R344A342-K346 WeakPolarHBondContact O-CD 3.36Å; A342-K346 VanDerWaalsContact O-CG 3.26Å; A342-K346 WeakPolarHBondContact O-CG 3.47Å; A342-K346 PolarHBondContact O-N 3.42Å; S343-K346 WeakPolarHBondContact O-CB 3.2Å; S343-K346 PolarHBondContact O-N 3.25Å; R344-K346 PolarHBondContact O-N 3.48Å
347L71.9Confident64.8Low140 Ų140106.1 Ų106.173%0.73357%0.567SS**Hα-helixtrans-88.1-6.8179.1-69.8172.8000114S343 R344 P349S343-L347 WeakPolarHBondContact O-CB 3.35Å; S343-L347 WeakPolarHBondContact O-CG 3.27Å; S343-L347 PolarHBondContact O-N 3.34Å; R344-L347 CarbonylContact O-C 3.55Å; R344-L347 PolarHBondContact O-N 2.96Å; R344-L347 VanDerWaalsContact O-N 3.08Å; L347-P349 WeakPolarHBondContact O-CD 3.09Å
348S50.8Low62.4Low75 Ų75109.2 Ų109.252%0.52459%0.591SS.*  trans-86.685.6162.859.60000107.9R344 A345 S350R344-S348 PolarHBondContact O-N 3.37Å; R344-S348 PolarHBondContact O-OG 2.98Å; A345-S348 PolarHBondContact O-OG 3.22Å; S348-S350 PolarHBondContact O-N 3.19Å
349P47.5Very low59.8Low100 Ų100114.1 Ų114.165%0.64961%0.614SS**  trans-55.3138.915130-30.7000104.5L347 V351L347-P349 WeakPolarHBondContact O-CD 3.09Å; P349-V351 PolarHBondContact O-N 2.91Å
350S43.6Very low57.6Low108 Ų108112.1 Ų112.176%0.75561%0.607SS**  trans-34.5105169.3177.90000108.3S348 R352S348-S350 PolarHBondContact O-N 3.19Å; S350-R352 PolarHBondContact O-N 3.21Å
351V41.8Very low55.7Low134 Ų134112.1 Ų112.181%0.81262%0.616SS**  trans-66.292.4159.2177.90000100.2P349 A353P349-V351 PolarHBondContact O-N 2.91Å; V351-A353 PolarHBondContact O-N 2.77Å
352R40.1Very low53.8Low189 Ų189115.2 Ų115.271%0.71363%0.63SS**  trans-53.1102.4162.7-144.9177.6-161.2167.67.3101.4S350 V354S350-R352 PolarHBondContact O-N 3.21Å; R352-V354 VanDerWaalsContact C-N 3.29Å; R352-V354 PolarHBondContact O-N 3.5Å
353A38Very low52Low62 Ų62116.2 Ų116.251%0.51263%0.629SS.*  trans-46.2115.115600000102.7V351 H355V351-A353 PolarHBondContact O-N 2.77Å; A353-H355 PolarHBondContact O-N 3.33Å
354V35.1Very low50.4Low133 Ų133118.3 Ų118.381%0.80663%0.634SS**  trans-68.874.7166.6-179.60000103.8R352 P356R352-V354 VanDerWaalsContact C-N 3.29Å; R352-V354 PolarHBondContact O-N 3.5Å; V354-P356 WeakPolarHBondContact O-CD 3.5Å
355H35.7Very low49.4Very low153 Ų153115.3 Ų115.371%0.70863%0.633SS**  trans-61.8121.1145.7-73.4-30.3000103.9A353 K357A353-H355 PolarHBondContact O-N 3.33Å; H355-K357 PolarHBondContact O-N 3.06Å
356P36.1Very low48.8Very low113 Ų113116.9 Ų116.973%0.73463%0.628SS**  trans-58.4102.4165.819.4-19.2000105.1V354 P358V354-P356 WeakPolarHBondContact O-CD 3.5Å; P356-P358 WeakPolarHBondContact O-CD 3.42Å
357K33.5Very low48.4Very low167 Ų167112.6 Ų112.673%0.72661%0.613SS**  trans-56.1123.4165.2-100.6-175.8173.3-175.70104.7H355 Q359H355-K357 PolarHBondContact O-N 3.06Å; K357-Q359 VanDerWaalsContact C-N 3.32Å; K357-Q359 PolarHBondContact O-N 3.17Å
358P43.6Very low48.2Very low102 Ų102111.9 Ų111.966%0.66261%0.605SS**  trans-62.1104.5167.5-7.822.3000105.6P356 L360P356-P358 WeakPolarHBondContact O-CD 3.42Å; P358-L360 HydrophobicContact CB-CB 4.43Å; P358-L360 HydrophobicContact CB-CD1 3.81Å; P358-L360 HydrophobicContact CB-CG 4.26Å; P358-L360 PolarHBondContact O-N 3.32Å
359Q41.1Very low49.4Very low131 Ų131111.2 Ų111.261%0.61260%0.601SS**  trans-7068.9160.6-83.6-159-44.400107.3K357K357-Q359 VanDerWaalsContact C-N 3.32Å; K357-Q359 PolarHBondContact O-N 3.17Å
360L48.2Very low50.5Low99 Ų99110.8 Ų110.852%0.51859%0.592SS.*  trans-88.6-35.2174.2-95.3157.7000110.6P358 Q364P358-L360 HydrophobicContact CB-CB 4.43Å; P358-L360 HydrophobicContact CB-CD1 3.81Å; P358-L360 HydrophobicContact CB-CG 4.26Å; P358-L360 PolarHBondContact O-N 3.32Å; L360-Q364 WeakPolarHBondContact O-CB 3.37Å; L360-Q364 WeakPolarHBondContact O-CG 3.33Å; L360-Q364 PolarHBondContact O-N 3.37Å
361D51.8Low51.9Low132 Ų132114.3 Ų114.371%0.70659%0.589SS**Hα-helixtrans-84.1-39-169.2-60.8-25.6000114.1S365D361-S365 PolarHBondContact O-N 3.15Å
362H48.3Very low53.5Low118 Ų118110.8 Ų110.855%0.54657%0.574SS.*Hα-helixtrans-70-46.5178-163.951000111Q364 S365 E366H362-Q364 VanDerWaalsContact C-N 3.34Å; H362-Q364 PolarHBondContact O-N 3.21Å; H362-S365 PolarHBondContact O-N 2.87Å; H362-S365 PolarHBondContact O-OG 2.54Å; H362-E366 PolarHBondContact O-N 3.19Å; H362-E366 VanDerWaalsContact O-N 3.08Å
363N50.8Low55.3Low65 Ų65106.7 Ų106.735%0.34856%0.563SS.*Hα-helixtrans-67.8-30.9177.8-69.89000112I367N363-I367 HydrophobicContact CB-CD1 4.37Å; N363-I367 WeakPolarHBondContact O-CB 3.21Å; N363-I367 VanDerWaalsContact O-CD1 3.25Å; N363-I367 WeakPolarHBondContact O-CD1 3.41Å; N363-I367 WeakPolarHBondContact O-CG1 3.45Å; N363-I367 PolarHBondContact O-N 3.16Å
364Q55.8Low57.2Low93 Ų93108.3 Ų108.344%0.43556%0.562SS.*Hα-helixtrans-67.6-41.3173.2-87.3-17619.900112.6L360 H362 E366 Q368L360-Q364 WeakPolarHBondContact O-CB 3.37Å; L360-Q364 WeakPolarHBondContact O-CG 3.33Å; L360-Q364 PolarHBondContact O-N 3.37Å; H362-Q364 VanDerWaalsContact C-N 3.34Å; H362-Q364 PolarHBondContact O-N 3.21Å; Q364-E366 VanDerWaalsContact C-N 3.31Å; Q364-E366 PolarHBondContact O-N 3.14Å; Q364-Q368 VanDerWaalsContact O-CB 3.25Å; Q364-Q368 WeakPolarHBondContact O-CB 3.4Å; Q364-Q368 WeakPolarHBondContact O-CG 3.5Å; Q364-Q368 PolarHBondContact O-N 3.03Å
365S64.4Low59.2Low65 Ų65109.8 Ų109.846%0.45556%0.558SS.*Hα-helixtrans-64.7-38.4176.271.20000112D361 H362 Q368 S369D361-S365 PolarHBondContact O-N 3.15Å; H362-S365 PolarHBondContact O-N 2.87Å; H362-S365 PolarHBondContact O-OG 2.54Å; S365-Q368 PolarHBondContact O-N 2.74Å; S365-S369 WeakPolarHBondContact O-CB 3.45Å; S365-S369 PolarHBondContact O-N 3.28Å
366E68.6Low61.2Low102 Ų102108.2 Ų108.248%0.47755%0.551SS.*Hα-helixtrans-73.5-41.1-179.3-144168.4-154.900110.6H362 Q364 Q368 S369 L370H362-E366 PolarHBondContact O-N 3.19Å; H362-E366 VanDerWaalsContact O-N 3.08Å; Q364-E366 VanDerWaalsContact C-N 3.31Å; Q364-E366 PolarHBondContact O-N 3.14Å; E366-Q368 VanDerWaalsContact C-N 3.34Å; E366-Q368 PolarHBondContact O-N 3.43Å; E366-S369 PolarHBondContact O-N 3.25Å; E366-L370 VanDerWaalsContact O-CB 3.31Å; E366-L370 WeakPolarHBondContact O-CB 3.42Å; E366-L370 WeakPolarHBondContact O-CG 3.38Å; E366-L370 PolarHBondContact O-N 3.34Å
367I69.1Low63Low84 Ų84107.3 Ų107.343%0.43154%0.543SS..Hα-helixtrans-66.2-35.3173.1-68.8164.9000111.4N363 R371N363-I367 HydrophobicContact CB-CD1 4.37Å; N363-I367 WeakPolarHBondContact O-CB 3.21Å; N363-I367 VanDerWaalsContact O-CD1 3.25Å; N363-I367 WeakPolarHBondContact O-CD1 3.41Å; N363-I367 WeakPolarHBondContact O-CG1 3.45Å; N363-I367 PolarHBondContact O-N 3.16Å; I367-R371 HydrophobicContact CG2-CG 4.49Å; I367-R371 VanDerWaalsContact O-CB 3.26Å; I367-R371 WeakPolarHBondContact O-CB 3.48Å; I367-R371 VanDerWaalsContact O-CG 3.23Å; I367-R371 WeakPolarHBondContact O-CG 3.34Å; I367-R371 PolarHBondContact O-N 3.39Å
368Q67.7Low64.7Low124 Ų124106.6 Ų106.658%0.57954%0.54SS*.Hα-helixtrans-70.5-40.4175-75.6175.522.600111.8Q364 S365 E366 R371 A372Q364-Q368 VanDerWaalsContact O-CB 3.25Å; Q364-Q368 WeakPolarHBondContact O-CB 3.4Å; Q364-Q368 WeakPolarHBondContact O-CG 3.5Å; Q364-Q368 PolarHBondContact O-N 3.03Å; S365-Q368 PolarHBondContact O-N 2.74Å; E366-Q368 VanDerWaalsContact C-N 3.34Å; E366-Q368 PolarHBondContact O-N 3.43Å; Q368-R371 PolarHBondContact O-N 3.03Å; Q368-A372 PolarHBondContact O-N 3.13Å
369S75.7Confident66.1Low62 Ų62105.4 Ų105.443%0.43453%0.534SS..Hα-helixtrans-61.8-49.7173-165.80000111.2S365 E366 R371 A372 E373S365-S369 WeakPolarHBondContact O-CB 3.45Å; S365-S369 PolarHBondContact O-N 3.28Å; E366-S369 PolarHBondContact O-N 3.25Å; S369-R371 VanDerWaalsContact C-N 3.3Å; S369-R371 PolarHBondContact O-N 3.37Å; S369-A372 WeakPolarHBondContact O-CB 3.43Å; S369-A372 PolarHBondContact O-N 2.91Å; S369-E373 PolarHBondContact O-N 3.27Å
370L72.5Confident67.6Low90 Ų90104.5 Ų104.547%0.47153%0.531SS..Hα-helixtrans-64-33.8178.1-69.8169.6000112.1E366 I374E366-L370 VanDerWaalsContact O-CB 3.31Å; E366-L370 WeakPolarHBondContact O-CB 3.42Å; E366-L370 WeakPolarHBondContact O-CG 3.38Å; E366-L370 PolarHBondContact O-N 3.34Å; L370-I374 WeakPolarHBondContact O-CB 3.35Å; L370-I374 WeakPolarHBondContact O-CD1 3.37Å; L370-I374 WeakPolarHBondContact O-CG1 3.47Å; L370-I374 PolarHBondContact O-N 2.69Å
371R72.3Confident68.5Low183 Ų183106.9 Ų106.969%0.69154%0.538SS*.Hα-helixtrans-68.6-35.3172.7-82.3178.3179.3178.41.8112.6I367 Q368 S369 K375I367-R371 HydrophobicContact CG2-CG 4.49Å; I367-R371 VanDerWaalsContact O-CB 3.26Å; I367-R371 WeakPolarHBondContact O-CB 3.48Å; I367-R371 VanDerWaalsContact O-CG 3.23Å; I367-R371 WeakPolarHBondContact O-CG 3.34Å; I367-R371 PolarHBondContact O-N 3.39Å; Q368-R371 PolarHBondContact O-N 3.03Å; S369-R371 VanDerWaalsContact C-N 3.3Å; S369-R371 PolarHBondContact O-N 3.37Å; R371-K375 WeakPolarHBondContact O-CB 3.37Å; R371-K375 PolarHBondContact O-N 3.03Å
372A74.9Confident69.1Low60 Ų60103.3 Ų103.350%0.49653%0.526SS..Hα-helixtrans-67.5-45.4174.700000110.8Q368 S369 I374 K375 E376Q368-A372 PolarHBondContact O-N 3.13Å; S369-A372 WeakPolarHBondContact O-CB 3.43Å; S369-A372 PolarHBondContact O-N 2.91Å; A372-I374 PolarHBondContact O-N 2.92Å; A372-K375 WeakPolarHBondContact O-CB 3.48Å; A372-K375 PolarHBondContact O-N 3.28Å; A372-K375 VanDerWaalsContact O-N 3.12Å; A372-E376 PolarHBondContact O-N 2.9Å
373E78.7Confident69.8Low102 Ų102100.1 Ų100.148%0.47752%0.52SS..Hα-helixtrans-61.6-43.5175.2-75.7172-151.100112.1S369 K375 E376 V377S369-E373 PolarHBondContact O-N 3.27Å; E373-K375 VanDerWaalsContact C-N 3.27Å; E373-K375 PolarHBondContact O-N 3.38Å; E373-E376 PolarHBondContact O-N 3.25Å; E373-V377 WeakPolarHBondContact O-CB 3.37Å; E373-V377 WeakPolarHBondContact O-CG2 3.25Å; E373-V377 PolarHBondContact O-N 3.24Å
374I78.4Confident70.2Confident96 Ų96102.9 Ų102.949%0.49253%0.534SS..Hα-helixtrans-63.8-34.4175.6-71.2166.6000111.2L370 A372 K378L370-I374 WeakPolarHBondContact O-CB 3.35Å; L370-I374 WeakPolarHBondContact O-CD1 3.37Å; L370-I374 WeakPolarHBondContact O-CG1 3.47Å; L370-I374 PolarHBondContact O-N 2.69Å; A372-I374 PolarHBondContact O-N 2.92Å; I374-K378 HydrophobicContact CG2-CD 4.12Å; I374-K378 HydrophobicContact CG2-CG 4.48Å; I374-K378 VanDerWaalsContact O-CB 3.28Å; I374-K378 WeakPolarHBondContact O-CB 3.39Å; I374-K378 VanDerWaalsContact O-CG 3.25Å; I374-K378 WeakPolarHBondContact O-CG 3.47Å; I374-K378 PolarHBondContact O-N 3.07Å
375K75.8Confident70.1Confident164 Ų164102.3 Ų102.371%0.71354%0.54SS*.Hα-helixtrans-70.4-38.4176.8-169.3179.6-179.4-176.60111.4R371 A372 E373 S379R371-K375 WeakPolarHBondContact O-CB 3.37Å; R371-K375 PolarHBondContact O-N 3.03Å; A372-K375 WeakPolarHBondContact O-CB 3.48Å; A372-K375 PolarHBondContact O-N 3.28Å; A372-K375 VanDerWaalsContact O-N 3.12Å; E373-K375 VanDerWaalsContact C-N 3.27Å; E373-K375 PolarHBondContact O-N 3.38Å; K375-S379 WeakPolarHBondContact O-CB 3.42Å; K375-S379 PolarHBondContact O-N 3.39Å
376E78.2Confident69.6Low120 Ų120103.3 Ų103.356%0.56155%0.548SS*.Hα-helixtrans-67.3-45.7175.5-172.6170.9-173.800111.6A372 E373 K378 S379 M380A372-E376 PolarHBondContact O-N 2.9Å; E373-E376 PolarHBondContact O-N 3.25Å; E376-K378 VanDerWaalsContact C-N 3.34Å; E376-K378 PolarHBondContact O-N 3.26Å; E376-S379 WeakPolarHBondContact O-CA 3.32Å; E376-S379 WeakPolarHBondContact O-CB 2.88Å; E376-S379 PolarHBondContact O-N 2.92Å; E376-S379 VanDerWaalsContact O-N 3.12Å; E376-M380 WeakPolarHBondContact O-CG 3.46Å; E376-M380 PolarHBondContact O-N 3.4Å
377V73.2Confident68.8Low94 Ų94107 Ų10757%0.5756%0.562SS**Hα-helixtrans-63.9-39.4175.8172.70000111.3E373 S379 M380 F381E373-V377 WeakPolarHBondContact O-CB 3.37Å; E373-V377 WeakPolarHBondContact O-CG2 3.25Å; E373-V377 PolarHBondContact O-N 3.24Å; V377-S379 VanDerWaalsContact C-N 3.34Å; V377-S379 PolarHBondContact O-N 3.43Å; V377-M380 PolarHBondContact O-N 3.01Å; V377-F381 WeakPolarHBondContact O-CB 3.48Å; V377-F381 PolarHBondContact O-N 3.42Å
378K70.6Confident67.7Low152 Ų152107.7 Ų107.766%0.66157%0.574SS**Hα-helixtrans-65.1-36.2172.9-79.2179178-176.50112.6I374 E376 F381 A382I374-K378 HydrophobicContact CG2-CD 4.12Å; I374-K378 HydrophobicContact CG2-CG 4.48Å; I374-K378 VanDerWaalsContact O-CB 3.28Å; I374-K378 WeakPolarHBondContact O-CB 3.39Å; I374-K378 VanDerWaalsContact O-CG 3.25Å; I374-K378 WeakPolarHBondContact O-CG 3.47Å; I374-K378 PolarHBondContact O-N 3.07Å; E376-K378 VanDerWaalsContact C-N 3.34Å; E376-K378 PolarHBondContact O-N 3.26Å; K378-F381 PolarHBondContact O-N 2.9Å; K378-A382 WeakPolarHBondContact O-CB 3.35Å; K378-A382 PolarHBondContact O-N 3.15Å
379S71.1Confident66.7Low77 Ų77109 Ų10954%0.53859%0.585SS.*Hα-helixtrans-65.4-44.5173.5166.30000111.5K375 E376 V377 F381 A382 A383K375-S379 WeakPolarHBondContact O-CB 3.42Å; K375-S379 PolarHBondContact O-N 3.39Å; E376-S379 WeakPolarHBondContact O-CA 3.32Å; E376-S379 WeakPolarHBondContact O-CB 2.88Å; E376-S379 PolarHBondContact O-N 2.92Å; E376-S379 VanDerWaalsContact O-N 3.12Å; V377-S379 VanDerWaalsContact C-N 3.34Å; V377-S379 PolarHBondContact O-N 3.43Å; S379-F381 PolarHBondContact O-N 3.17Å; S379-A382 PolarHBondContact O-N 2.96Å; S379-A383 WeakPolarHBondContact O-CB 3.42Å; S379-A383 PolarHBondContact O-N 3.46Å
380M72.9Confident65Low112 Ų112114.3 Ų114.355%0.55260%0.603SS**Hα-helixtrans-63.1-40.9174.7-71.9-178.3139.900111.9E376 V377 A383 L384E376-M380 WeakPolarHBondContact O-CG 3.46Å; E376-M380 PolarHBondContact O-N 3.4Å; V377-M380 PolarHBondContact O-N 3.01Å; M380-A383 PolarHBondContact O-N 3.25Å; M380-L384 WeakPolarHBondContact O-CB 3.42Å; M380-L384 VanDerWaalsContact O-CG 3.29Å; M380-L384 WeakPolarHBondContact O-CG 3.34Å; M380-L384 PolarHBondContact O-N 3.42Å
381F66.7Low63.3Low150 Ų150117.2 Ų117.266%0.65862%0.619SS**Hα-helixtrans-67.5-38.8176.2-162.4-92.7000111.9V377 K378 S379 L384 S385V377-F381 WeakPolarHBondContact O-CB 3.48Å; V377-F381 PolarHBondContact O-N 3.42Å; K378-F381 PolarHBondContact O-N 2.9Å; S379-F381 PolarHBondContact O-N 3.17Å; F381-L384 PolarHBondContact O-N 3Å; F381-S385 WeakPolarHBondContact O-CB 3.24Å; F381-S385 PolarHBondContact O-N 3.21Å
382A65.8Low61.5Low57 Ų57115.1 Ų115.147%0.47163%0.626SS.*Hα-helixtrans-64.5-41173.200000111.8K378 S379 S385 S386K378-A382 WeakPolarHBondContact O-CB 3.35Å; K378-A382 PolarHBondContact O-N 3.15Å; S379-A382 PolarHBondContact O-N 2.96Å; A382-S385 PolarHBondContact O-N 3.49Å; A382-S386 WeakPolarHBondContact O-CB 3.25Å; A382-S386 PolarHBondContact O-N 3.3Å; A382-S386 PolarHBondContact O-OG 2.96Å
383A63.3Low59.5Low50 Ų50116.4 Ų116.441%0.41364%0.637SS.*Hα-helixtrans-68.3-31.1177.300000113.5S379 M380 S386 K387S379-A383 WeakPolarHBondContact O-CB 3.42Å; S379-A383 PolarHBondContact O-N 3.46Å; M380-A383 PolarHBondContact O-N 3.25Å; A383-S386 WeakPolarHBondContact CA-OG 3.47Å; A383-S386 PolarHBondContact O-OG 3.36Å; A383-K387 PolarHBondContact O-N 3.1Å
384L59Low57.4Low124 Ų124119.6 Ų119.665%0.64966%0.657SS**Hα-helixtrans-79.4-35.5173.4-72166000111.7M380 F381 S386 K387M380-L384 WeakPolarHBondContact O-CB 3.42Å; M380-L384 VanDerWaalsContact O-CG 3.29Å; M380-L384 WeakPolarHBondContact O-CG 3.34Å; M380-L384 PolarHBondContact O-N 3.42Å; F381-L384 PolarHBondContact O-N 3Å; L384-S386 VanDerWaalsContact C-N 3.33Å; L384-K387 PolarHBondContact O-N 3.14Å
385S53.6Low55.3Low80 Ų80124 Ų12456%0.55967%0.673SS**Hα-helixtrans-70-28.8174.4-166.90000112.4F381 A382F381-S385 WeakPolarHBondContact O-CB 3.24Å; F381-S385 PolarHBondContact O-N 3.21Å; A382-S385 PolarHBondContact O-N 3.49Å
386S54.2Low53.1Low87 Ų87124.9 Ų124.961%0.60868%0.679SS**THydrogen-bonded Turntrans-84-5173.860.80000114.1A382 A383 L384A382-S386 WeakPolarHBondContact O-CB 3.25Å; A382-S386 PolarHBondContact O-N 3.3Å; A382-S386 PolarHBondContact O-OG 2.96Å; A383-S386 WeakPolarHBondContact CA-OG 3.47Å; A383-S386 PolarHBondContact O-OG 3.36Å; L384-S386 VanDerWaalsContact C-N 3.33Å
387K50.9Low50.7Low179 Ų179125.1 Ų125.178%0.77869%0.685SS**THydrogen-bonded Turntrans-99.21.1172.5-85.7-179175.4-179.70113.9A383 L384A383-K387 PolarHBondContact O-N 3.1Å; L384-K387 PolarHBondContact O-N 3.14Å
388S46.5Very low48.6Very low98 Ų98129.6 Ų129.669%0.68570%0.696SS**SBendtrans-98.66.5179.1-169.70000114.5
389L47.3Very low46.4Very low153 Ų153127.8 Ų127.880%0.80170%0.702SS**SBendtrans-140.759.4173.7-70.9174.9000111.4
390Q38.6Very low44.4Very low173 Ų173128.6 Ų128.681%0.80871%0.707SS**SBendtrans-161.4141.2148-109.9123.211.200110.2
391D37.8Very low42.2Very low151 Ų151128.9 Ų128.981%0.80772%0.715SS**  trans76.471.6174.6-57.3-14.3000118.9
392T35Very low40.5Very low138 Ų138128.2 Ų128.285%0.84772%0.719SS**  -74.3139.4126.447.80000110.3
393A32.8Very low39Very low87 Ų87136.5 Ų136.572%0.71974%0.738SS**  trans90.699.7166.800000116.9
394D34.7Very low37.5Very low169 Ų169143.7 Ų143.790%0.90476%0.763SS**  -164.2154.189-105.7-29.1000113.4
395K33.1Very low36.5Very low190 Ų190147.3 Ų147.383%0.82677%0.768SS**  trans-99.5170.5-171.7-77.7179173.51760112.4
396Q29.4Very low35.7Very low181 Ų181152.2 Ų152.285%0.84679%0.787SS**  trans91.6134.9168-65.6177.6-7900115.1
397D29.3Very low34.9Very low126 Ų126156 Ų15667%0.67479%0.792SS**  cis-159.91607.6-143.5-27.6000110.5
398K28.8Very low34.5Very low187 Ų187156.5 Ų156.581%0.81380%0.798SS**  trans4.1134.9160.9-84.4165.3165.9171.10121.4
399C23.9Very low34.4Very low115 Ų115158.1 Ų158.178%0.77781%0.806SS**  166.4152.481.5-1550000111.9
400S29.4Very low34Very low94 Ų94155.6 Ų155.666%0.65780%0.801SS**  trans-41.6157.9174.539.10000117
401T27.3Very low34.5Very low117 Ų117154.9 Ų154.972%0.71880%0.801SS**  -175.7150.959.9-18.90000111
402D29.4Very low35.2Very low137 Ų137152.8 Ų152.873%0.73379%0.79SS**  trans63.8123.4147.2-70-33.2000126
403R35Very low36.2Very low230 Ų230149.7 Ų149.787%0.86878%0.779SS**  trans44.6119141.6-77.6176.7138.4175.5-4.5120.1
404E31.3Very low37.4Very low202 Ų202151 Ų15194%0.94477%0.774SS**  -175.8163.9111-103.8176.2163.400113.8
405R38.8Very low38.7Very low200 Ų200146.4 Ų146.476%0.75575%0.751SS**  trans-89.4137.6-158.6167.6-165-100-156.2-4.1112.5
406L36.7Very low40Very low182 Ų182141.9 Ų141.995%0.95374%0.74SS**  trans-138124.7156.2-78.2171000111.3
407K37.3Very low41.8Very low167 Ų167136 Ų13673%0.72672%0.722SS**PPolyproline II helixtrans-94.9143.6177-82.7178.4169.6-173.80109.7
408E42.1Very low43.1Very low190 Ų190135.1 Ų135.189%0.88872%0.717SS**PPolyproline II helixtrans-60.4147163.3-62.1173.1148.800111.8
409P44.7Very low44.8Very low132 Ų132133.5 Ų133.586%0.85771%0.71SS**PPolyproline II helixtrans-100130.8160.210.59000111.8
410S39.5Very low46.6Very low99 Ų99135.1 Ų135.169%0.69270%0.703SS**PPolyproline II helixtrans-84.6151-173.159.70000114.5D412S410-D412 PolarHBondContact O-N 3.39Å
411L48.2Very low48.4Very low158 Ų158136.6 Ų136.683%0.82770%0.7SS**THydrogen-bonded Turntrans-58.619.5175.5-68.4157.1000117
412D52.9Low50.4Low107 Ų107134.8 Ų134.857%0.57269%0.689SS**Hα-helixtrans-99.2-13.8-167.9-151.522.1000113.9S410 V416S410-D412 PolarHBondContact O-N 3.39Å; D412-V416 WeakPolarHBondContact O-CG2 3.35Å
413A55Low51.8Low73 Ų73135.7 Ų135.760%0.60369%0.686SS**Hα-helixtrans-74.4-38.617900000113V416 A417A413-V416 PolarHBondContact O-N 3.44Å; A413-A417 PolarHBondContact O-N 3.43Å
414D58.5Low52.5Low116 Ų116130.6 Ų130.662%0.6267%0.672SS**Hα-helixtrans-75.3-31.9-175-64-29.8000112.2V416 A417 L418D414-V416 VanDerWaalsContact C-N 3.34Å; D414-V416 PolarHBondContact O-N 2.95Å; D414-A417 PolarHBondContact O-N 3.1Å; D414-L418 PolarHBondContact O-N 3.23Å; D414-L418 VanDerWaalsContact O-N 3.07Å
415V62.1Low53.6Low71 Ų71126.4 Ų126.443%0.4366%0.656SS.*Hα-helixtrans-69.9-33177.9-179.30000111.4K419V415-K419 PolarHBondContact O-N 3.49Å
416V61.2Low54.2Low96 Ų96122.9 Ų122.958%0.58265%0.648SS**Hα-helixtrans-73.3-37.6175.9175.60000111.2D412 A413 D414 K420D412-V416 WeakPolarHBondContact O-CG2 3.35Å; A413-V416 PolarHBondContact O-N 3.44Å; D414-V416 VanDerWaalsContact C-N 3.34Å; D414-V416 PolarHBondContact O-N 2.95Å; V416-K420 PolarHBondContact O-N 3.44Å
417A67.2Low54.8Low56 Ų56121.4 Ų121.446%0.46364%0.636SS.*Hα-helixtrans-64.7-42.3175.900000112.2A413 D414 K420 Q421A413-A417 PolarHBondContact O-N 3.43Å; D414-A417 PolarHBondContact O-N 3.1Å; A417-K420 PolarHBondContact O-N 3.19Å; A417-Q421 PolarHBondContact O-N 3Å
418L57Low55.4Low109 Ų109120.6 Ų120.657%0.57163%0.632SS**Hα-helixtrans-67.3-39.5178.2-85.8154.3000113D414 K420 Q421 V422D414-L418 PolarHBondContact O-N 3.23Å; D414-L418 VanDerWaalsContact O-N 3.07Å; L418-K420 VanDerWaalsContact C-N 3.25Å; L418-K420 PolarHBondContact O-N 3.17Å; L418-Q421 PolarHBondContact O-N 2.7Å; L418-V422 PolarHBondContact O-N 3.45Å
419K63.2Low56Low153 Ų153116.2 Ų116.267%0.66562%0.618SS**Hα-helixtrans-64.4-27.8175.9-81.2178.6177.5173.30113.2V415 K423V415-K419 PolarHBondContact O-N 3.49Å; K419-K423 PolarHBondContact O-N 3.39Å
420K62.2Low56Low149 Ų149118.6 Ų118.665%0.64862%0.615SS**Hα-helixtrans-74.3-36.3178.1-165.7175179.3179.70112.4V416 A417 L418 Q424V416-K420 PolarHBondContact O-N 3.44Å; A417-K420 PolarHBondContact O-N 3.19Å; L418-K420 VanDerWaalsContact C-N 3.25Å; L418-K420 PolarHBondContact O-N 3.17Å; K420-Q424 PolarHBondContact O-N 2.77Å
421Q67.6Low56.1Low125 Ų125118.2 Ų118.258%0.58461%0.612SS**Hα-helixtrans-70.2-37.9177-80.7-178.3-11.900112.9A417 L418 K423 Q424 L425A417-Q421 PolarHBondContact O-N 3Å; L418-Q421 PolarHBondContact O-N 2.7Å; Q421-K423 PolarHBondContact O-N 3.1Å; Q421-Q424 PolarHBondContact O-N 2.87Å; Q421-L425 PolarHBondContact O-N 3.1Å
422V67.9Low56.1Low79 Ų79121.6 Ų121.648%0.47961%0.614SS.*Hα-helixtrans-66.8-37.2179.1175.90000111.9L418 Q424 L425 Q426L418-V422 PolarHBondContact O-N 3.45Å; V422-Q424 PolarHBondContact O-N 3.48Å; V422-L425 PolarHBondContact O-N 2.72Å; V422-Q426 PolarHBondContact O-N 3.47Å; V422-Q426 VanDerWaalsContact O-N 3.07Å
423K58.8Low55.5Low156 Ų156122.2 Ų122.268%0.67862%0.622SS**Hα-helixtrans-64.8-38176.1-103.7-177.2175.5-179.90113K419 Q421 Q427K419-K423 PolarHBondContact O-N 3.39Å; Q421-K423 PolarHBondContact O-N 3.1Å; K423-Q427 PolarHBondContact O-N 3.12Å
424Q50.7Low54.8Low122 Ų122123.5 Ų123.557%0.5763%0.626SS**Hα-helixtrans-69.7-33.3177.7-76.8-177.6-15.900112.8K420 Q421 V422 K428K420-Q424 PolarHBondContact O-N 2.77Å; Q421-Q424 PolarHBondContact O-N 2.87Å; V422-Q424 PolarHBondContact O-N 3.48Å; Q424-K428 PolarHBondContact O-N 2.85Å
425L54.5Low53.9Low115 Ų115126.8 Ų126.860%0.60264%0.638SS**Hα-helixtrans-73-39.4176.3-75.8163.5000112.1Q421 V422 Q427 K428 V429Q421-L425 PolarHBondContact O-N 3.1Å; V422-L425 PolarHBondContact O-N 2.72Å; L425-Q427 VanDerWaalsContact C-N 3.29Å; L425-Q427 PolarHBondContact O-N 2.95Å; L425-K428 PolarHBondContact O-N 2.68Å; L425-V429 WeakPolarHBondContact O-CG2 3.11Å; L425-V429 PolarHBondContact O-N 3.43Å
426Q51.9Low52.6Low126 Ų126132.9 Ų132.959%0.58966%0.661SS**Hα-helixtrans-64.8-31.5175.8-76.2178.4-21.100113.1V422 K430V422-Q426 PolarHBondContact O-N 3.47Å; V422-Q426 VanDerWaalsContact O-N 3.07Å; Q426-K430 PolarHBondContact O-N 2.66Å
427Q49.5Very low51.1Low150 Ų150132.7 Ų132.770%0.70167%0.67SS**Hα-helixtrans-75.2-30177.8-139.5169.70.700112.7K423 L425K423-Q427 PolarHBondContact O-N 3.12Å; L425-Q427 VanDerWaalsContact C-N 3.29Å; L425-Q427 PolarHBondContact O-N 2.95Å
428K49.6Very low49.2Very low150 Ų150139.3 Ų139.365%0.65269%0.691SS**Hα-helixtrans-75.1-24.3174.5-82.9-178.9174.8177.90114.1Q424 L425 S431Q424-K428 PolarHBondContact O-N 2.85Å; L425-K428 PolarHBondContact O-N 2.68Å; K428-S431 PolarHBondContact O-OG 2.76Å
429V54.3Low47.8Very low99 Ų99140.6 Ų140.660%0.670%0.704SS**Hα-helixtrans-81.5-35.8177.3175.50000111L425 S431 R432L425-V429 WeakPolarHBondContact O-CG2 3.11Å; L425-V429 PolarHBondContact O-N 3.43Å; V429-S431 VanDerWaalsContact C-N 3.32Å; V429-S431 PolarHBondContact O-N 2.85Å; V429-R432 PolarHBondContact O-N 2.83Å
430K43.7Very low46.1Very low181 Ų181140 Ų14079%0.78771%0.713SS**Hα-helixtrans-67.1-26.4176.5-83.7-177173.3-177.40114.3Q426Q426-K430 PolarHBondContact O-N 2.66Å
431S42.9Very low45.1Very low91 Ų91138.7 Ų138.764%0.63672%0.72SS**THydrogen-bonded Turntrans-82.6-8.7178.460.40000114.7K428 V429K428-S431 PolarHBondContact O-OG 2.76Å; V429-S431 VanDerWaalsContact C-N 3.32Å; V429-S431 PolarHBondContact O-N 2.85Å
432R46.8Very low43Very low229 Ų229137.1 Ų137.186%0.86473%0.728SS**THydrogen-bonded Turntrans-99-3.3-179.9-79.2-171.5172.7-173.4-2115.1V429V429-R432 PolarHBondContact O-N 2.83Å
433V41.3Very low41Very low121 Ų121140.2 Ų140.273%0.73375%0.747SS**SBendtrans-106.11.7-172.7-178.80000113.4
434S39.5Very low39.9Very low99 Ų99141.6 Ų141.669%0.69276%0.758SS**SBendtrans-106.116.6-170.3-142.40000117.1
435H39.3Very low38.8Very low186 Ų186140.1 Ų140.186%0.86177%0.767SS**SBendtrans-132.874.9171.1-71.7-53.9000111.4
436Q34.9Very low37.9Very low198 Ų198141.4 Ų141.493%0.92578%0.779SS**  trans-168.285.8156.1-108.8175.131.100109.3
437A30Very low36.7Very low92 Ų92143.8 Ų143.876%0.7679%0.79SS**  trans-164.6104.1157.600000107.9
438E28.5Very low35.6Very low195 Ų195142.7 Ų142.791%0.91179%0.794SS**  trans169.5111.4144.3-94.3169-156.400109.4
439T27.4Very low34.6Very low137 Ų137141.6 Ų141.684%0.8480%0.802SS**  trans-145130.6160.742.60000109.7
440T26.9Very low33.3Very low140 Ų140143.3 Ų143.386%0.85981%0.808SS**  trans-160.3168.5136.856.80000107.7
441P41.7Very low32.7Very low122 Ų122145.9 Ų145.979%0.79281%0.812SS**  -125.4166.3-75.634-16.3000113.1
442A23.4Very low32Very low91 Ų91149.5 Ų149.575%0.75282%0.819SS**  trans134.3144.9139.600000117.2
443V25.5Very low31.6Very low145 Ų145141 Ų14188%0.87979%0.793SS**  trans85.1125.2155.5-143.30000119.6
444M35.3Very low31.5Very low184 Ų184140.1 Ų140.191%0.90678%0.784SS**  trans-69.5134.7-178.6-60.1175.165.500112.7
445A27.6Very low31.8Very low92 Ų92143.5 Ų143.576%0.7679%0.792SS**  trans-153.6131.4153.400000110.8
446V35.8Very low32.3Very low142 Ų142140.6 Ų140.686%0.86178%0.782SS**  trans-65.8120-179.41730000110.6
447H26.8Very low33.5Very low176 Ų176135.8 Ų135.882%0.81576%0.76SS**  trans-133.4125.9166.4-86.936.2000111.9
448T27.4Very low35.4Very low127 Ų127138.6 Ų138.678%0.77975%0.751SS**  trans-62143.3172.143.10000112.6N450T448-N450 PolarHBondContact O-N 3.49Å
449P27.8Very low38Very low127 Ų127130.2 Ų130.283%0.82571%0.711SS**  trans-78113-178.129.4-31.1000111.9R451P449-R451 PolarHBondContact O-N 2.82Å
450N26.9Very low40.7Very low135 Ų135123.7 Ų123.772%0.72267%0.671SS**  trans-77104.1168.5-164.713.2000109.4T448T448-N450 PolarHBondContact O-N 3.49Å
451R30Very low43.4Very low234 Ų234124.8 Ų124.888%0.88366%0.661SS**  trans-81.8109.3166.1-89.2-177.8173.7176.2-1.5108.2P449 P453P449-R451 PolarHBondContact O-N 2.82Å; R451-P453 VanDerWaalsContact O-CD 3.26Å; R451-P453 WeakPolarHBondContact O-CD 3.36Å
452H28.9Very low45.2Very low167 Ų167124.2 Ų124.277%0.77364%0.643SS**PPolyproline II helixtrans-74.9117.5159.7-97.2-82.8000108.9
453P38.8Very low48.1Very low51 Ų51120 Ų12033%0.33161%0.608SS.*PPolyproline II helixtrans-89.3144.3170.632.3-24.7000110.3R451 R458R451-P453 VanDerWaalsContact O-CD 3.26Å; R451-P453 WeakPolarHBondContact O-CD 3.36Å; P453-R458 VanDerWaalsContact CB-NH2 3.32Å
454D39.6Very low50.8Low102 Ų102113.1 Ų113.155%0.54557%0.566SS.*PPolyproline II helixtrans-46.7136.7177.7-1649.1000112.9D456 E457D454-D456 PolarHBondContact O-N 3.36Å; D454-D456 VanDerWaalsContact O-N 3.1Å; D454-E457 PolarHBondContact O-N 2.79Å
455M44.7Very low53Low171 Ų171108 Ų10884%0.84254%0.54SS*.G310 helixtrans-67.3-12.3-170.8-74-80.4-88.400113.4
456D51.5Low55.5Low124 Ų124106.7 Ų106.766%0.66353%0.525SS*.G310 helixtrans-84.7-5179.7-83.5-22.6000114.9D454D454-D456 PolarHBondContact O-N 3.36Å; D454-D456 VanDerWaalsContact O-N 3.1Å
457E59.2Low57.4Low97 Ų97103.8 Ų103.845%0.45352%0.524SS..G310 helixtrans-101.5-2.2-176.5-66.6-171.8163.900114.6D454 K492D454-E457 PolarHBondContact O-N 2.79Å; E457-K492 IonicContact OE1-NZ 2.86Å; E457-K492 PolarHBondContact OE1-NZ 3.02Å
458R70.1Confident59.9Low151 Ų15197.9 Ų97.957%0.5750%0.497SS*.  trans-103.9109.4176.3-109.3125.7-88.6-133.7-10.5110.8P453P453-R458 VanDerWaalsContact CB-NH2 3.32Å
459F83Confident62.3Low19 Ų1996.8 Ų96.88%0.08349%0.485CS..BIsolated β-bridgetrans-117.6156.2172.964.8-85.5000111.2Y461 V482 R485 L486F459-Y461 HydrophobicContact CE2-CD1 4.34Å; F459-Y461 HydrophobicContact CE2-CE1 4.28Å; F459-Y461 HydrophobicContact CZ-CE1 4.23Å; F459-V482 HydrophobicContact CE2-CG1 4.2Å; F459-R485 HydrophobicContact CD1-CB 3.92Å; F459-R485 HydrophobicContact CD2-CB 3.64Å; F459-R485 HydrophobicContact CD2-CG 4.19Å; F459-R485 HydrophobicContact CE1-CB 3.78Å; F459-R485 HydrophobicContact CE2-CB 3.49Å; F459-R485 VanDerWaalsContact CE2-CB 3.49Å; F459-R485 HydrophobicContact CE2-CG 4.49Å; F459-R485 HydrophobicContact CG-CB 3.86Å; F459-R485 HydrophobicContact CG-CG 4.22Å; F459-R485 HydrophobicContact CZ-CB 3.57Å; F459-L486 HydrophobicContact CE2-CD1 3.93Å; F459-L486 HydrophobicContact CZ-CD1 3.73Å; F459-L486 HydrophobicContact CZ-CG 4.11Å
460C84.4Confident64.7Low0 Ų093 Ų930%046%0.464CS..  trans-73.8123.5-179.6178.40000111R462 G464 E465 H468C460-R462 PolarHBondContact O-N 3.11Å; C460-R462 VanDerWaalsContact O-N 3.12Å; C460-R462 PolarHBondContact SG-N 2.97Å; C460-G464 VanDerWaalsContact O-CA 3.25Å; C460-G464 WeakPolarHBondContact O-CA 3.39Å; C460-G464 PolarHBondContact O-N 3.35Å; C460-E465 VanDerWaalsContact CB-O 3.32Å; C460-E465 WeakPolarHBondContact CB-O 3.37Å; C460-E465 PolarHBondContact N-O 3.15Å; C460-H468 WeakPolarHBondContact CB-O 3.23Å
461Y83.2Confident67Low163 Ų16391.1 Ų91.164%0.63946%0.461SS*.THydrogen-bonded Turntrans-70.8-1.3177.8-67.5-83.3000114.8F459 V482 L486F459-Y461 HydrophobicContact CE2-CD1 4.34Å; F459-Y461 HydrophobicContact CE2-CE1 4.28Å; F459-Y461 HydrophobicContact CZ-CE1 4.23Å; Y461-V482 HydrophobicContact CD1-CG1 4.35Å; Y461-L486 HydrophobicContact CD1-CD1 4.07Å; Y461-L486 HydrophobicContact CE1-CD1 3.88Å
462R79.4Confident69Low110 Ų11088 Ų8842%0.41545%0.454SS..THydrogen-bonded Turntrans-98.4-44.9175.8-164.8177.6-167.8-137.30.7113.1C460 A470 C473 E477 N478C460-R462 PolarHBondContact O-N 3.11Å; C460-R462 VanDerWaalsContact O-N 3.12Å; C460-R462 PolarHBondContact SG-N 2.97Å; R462-A470 HydrophobicContact CB-CB 4.11Å; R462-C473 HydrophobicContact CB-CB 4.36Å; R462-E477 HydrophobicContact CG-CB 4.47Å; R462-E477 HydrophobicContact CG-CG 4.32Å; R462-E477 WeakPolarHBondContact O-CA 3.15Å; R462-N478 PolarHBondContact O-N 2.98Å
463C84.6Confident71.6Confident3 Ų380.6 Ų80.62%0.0242%0.422CS..THydrogen-bonded Turntrans-119.2-10-175.470.20000114.6H468 C473C463-H468 PolarHBondContact SG-NE2 3.36Å; C463-H468 VanDerWaalsContact SG-NE2 3.36Å; C463-C473 PolarHBondContact SG-SG 2.62Å
464G81.6Confident73.5Confident0 Ų090.2 Ų90.20%045%0.451CS..  trans78.510.6179.100000115.5C460C460-G464 VanDerWaalsContact O-CA 3.25Å; C460-G464 WeakPolarHBondContact O-CA 3.39Å; C460-G464 PolarHBondContact O-N 3.35Å
465E82Confident75.3Confident78 Ų7887 Ų8736%0.36444%0.437SS..  trans-95.2149.5178.4-66.1179.5168.200112.5C460 K481C460-E465 VanDerWaalsContact CB-O 3.32Å; C460-E465 WeakPolarHBondContact CB-O 3.37Å; C460-E465 PolarHBondContact N-O 3.15Å; E465-K481 IonicContact OE1-NZ 3.61Å; E465-K481 PolarHBondContact OE1-NZ 2.74Å; E465-K481 VanDerWaalsContact OE1-NZ 3.15Å
466S80.1Confident76.8Confident63 Ų6384.2 Ų84.244%0.44143%0.431SS..BIsolated β-bridgetrans-81.7162.9177.345.80000112.2
467G75.1Confident78.2Confident81 Ų8183.8 Ų83.884%0.83543%0.426SS*.SBendtrans89.2-1.9173.800000116.2
468H79.3Confident79.2Confident53 Ų5382.5 Ų82.525%0.24542%0.422CS..SBendtrans-152.6166172.967.3-82.1000112.3C460 C463 C473C460-H468 WeakPolarHBondContact CB-O 3.23Å; C463-H468 PolarHBondContact SG-NE2 3.36Å; C463-H468 VanDerWaalsContact SG-NE2 3.36Å; H468-C473 PolarHBondContact NE2-SG 2.9Å
469I78.9Confident79.5Confident104 Ų10481.2 Ų81.253%0.53342%0.422SS..  trans-110.5159.617958.1169.6000111.2S471 K472 C473I469-S471 VanDerWaalsContact CD1-OG 3.24Å; I469-S471 WeakPolarHBondContact CD1-OG 3.42Å; I469-S471 WeakPolarHBondContact CG1-OG 3.39Å; I469-S471 PolarHBondContact O-N 3.4Å; I469-K472 PolarHBondContact O-N 3.26Å; I469-C473 PolarHBondContact O-N 3.05Å
470A77.5Confident79.1Confident47 Ų4786.1 Ų86.139%0.38845%0.449SS..G310 helixtrans-52.7-34.2-172.900000113.9R462 K472 C473R462-A470 HydrophobicContact CB-CB 4.11Å; A470-K472 PolarHBondContact O-N 2.94Å; A470-C473 WeakPolarHBondContact O-CB 3.15Å; A470-C473 PolarHBondContact O-N 3.27Å
471S74.6Confident79Confident95 Ų9589.7 Ų89.766%0.66447%0.465SS*.G310 helixtrans-67.5-17.5179.256.80000114.9I469I469-S471 VanDerWaalsContact CD1-OG 3.24Å; I469-S471 WeakPolarHBondContact CD1-OG 3.42Å; I469-S471 WeakPolarHBondContact CG1-OG 3.39Å; I469-S471 PolarHBondContact O-N 3.4Å
472K73.8Confident78.9Confident168 Ų16882.6 Ų82.673%0.7344%0.439SS*.G310 helixtrans-121.117.3178.5-62-175.3-179.1-179.70112.7I469 A470I469-K472 PolarHBondContact O-N 3.26Å; A470-K472 PolarHBondContact O-N 2.94Å
473C81.9Confident78.6Confident13 Ų1381.6 Ų81.69%0.08844%0.44CS..  trans-82.4121-175.9-175.30000112.1R462 C463 H468 I469 A470R462-C473 HydrophobicContact CB-CB 4.36Å; C463-C473 PolarHBondContact SG-SG 2.62Å; H468-C473 PolarHBondContact NE2-SG 2.9Å; I469-C473 PolarHBondContact O-N 3.05Å; A470-C473 WeakPolarHBondContact O-CB 3.15Å; A470-C473 PolarHBondContact O-N 3.27Å
474R79.2Confident78.3Confident252 Ų25287 Ų8795%0.95147%0.468SS*.  trans-96.5-6.6175-63.8-174-179.9-159.7-0.3113.8
475S77.9Confident78.4Confident35 Ų3591 Ų9125%0.24548%0.483CS..SBendtrans-81.4152.2-179.6-540000111.3
476P75.4Confident78.3Confident112 Ų11290.6 Ų90.673%0.72748%0.483SS*.PPolyproline II helixtrans-62.7152174.826.7-34000111.3N478P476-N478 PolarHBondContact O-N 2.92Å
477E80.9Confident78.1Confident116 Ų11691.2 Ų91.254%0.54248%0.481SS..PPolyproline II helixtrans-64.7130.2-178.9-169.4175.1159.300110.8R462 Q479R462-E477 HydrophobicContact CG-CB 4.47Å; R462-E477 HydrophobicContact CG-CG 4.32Å; R462-E477 WeakPolarHBondContact O-CA 3.15Å; E477-Q479 HydrophobicContact CG-CG 4.25Å; E477-Q479 PolarHBondContact OE1-NE2 3.24Å
478N81Confident78.2Confident69 Ų6993.4 Ų93.437%0.36947%0.47SS..  trans-137.982.1-177.9-167.6-29.2000110.4R462 P476 N480 K481 V482R462-N478 PolarHBondContact O-N 2.98Å; P476-N478 PolarHBondContact O-N 2.92Å; N478-N480 VanDerWaalsContact C-N 3.3Å; N478-N480 PolarHBondContact O-N 2.69Å; N478-K481 HydrophobicContact CB-CB 4.29Å; N478-K481 PolarHBondContact O-N 3.42Å; N478-K481 WeakPolarHBondContact OD1-CB 3.39Å; N478-K481 PolarHBondContact OD1-N 2.8Å; N478-K481 VanDerWaalsContact OD1-N 3.1Å; N478-V482 WeakPolarHBondContact O-CG2 3.49Å; N478-V482 PolarHBondContact O-N 3.44Å
479Q75.4Confident78.1Confident124 Ų12493.3 Ų93.358%0.57948%0.478SS*.Hα-helixtrans-60.6-38.7-177.2-63.7177.6-4.100112E477 K481 V482 I483E477-Q479 HydrophobicContact CG-CG 4.25Å; E477-Q479 PolarHBondContact OE1-NE2 3.24Å; Q479-K481 PolarHBondContact O-N 3.21Å; Q479-V482 PolarHBondContact O-N 3.31Å; Q479-I483 WeakPolarHBondContact O-CB 3.04Å; Q479-I483 VanDerWaalsContact O-CG1 3.25Å; Q479-I483 WeakPolarHBondContact O-CG1 3.49Å; Q479-I483 PolarHBondContact O-N 3.46Å
480N75.8Confident77.9Confident123 Ų12393.7 Ų93.766%0.65848%0.481SS*.Hα-helixtrans-60.7-43.3179.2-71.6-28000112.2N478 I483 L484N478-N480 VanDerWaalsContact C-N 3.3Å; N478-N480 PolarHBondContact O-N 2.69Å; N480-I483 PolarHBondContact O-N 2.95Å; N480-L484 VanDerWaalsContact O-CG 3.29Å; N480-L484 WeakPolarHBondContact O-CG 3.24Å; N480-L484 PolarHBondContact O-N 3.49Å
481K80.7Confident77.6Confident74 Ų7498.3 Ų98.332%0.32249%0.492SS..Hα-helixtrans-69.1-36179.3-166171174.2-174.80112E465 N478 Q479 R485E465-K481 IonicContact OE1-NZ 3.61Å; E465-K481 PolarHBondContact OE1-NZ 2.74Å; E465-K481 VanDerWaalsContact OE1-NZ 3.15Å; N478-K481 HydrophobicContact CB-CB 4.29Å; N478-K481 PolarHBondContact O-N 3.42Å; N478-K481 WeakPolarHBondContact OD1-CB 3.39Å; N478-K481 PolarHBondContact OD1-N 2.8Å; N478-K481 VanDerWaalsContact OD1-N 3.1Å; Q479-K481 PolarHBondContact O-N 3.21Å; K481-R485 WeakPolarHBondContact O-CG 3.45Å; K481-R485 PolarHBondContact O-N 3.06Å; K481-R485 VanDerWaalsContact O-N 3.1Å
482V81.1Confident77.4Confident15 Ų1599 Ų999%0.09148%0.483CS..Hα-helixtrans-65.6-46.6174.6173.50000110.9F459 Y461 N478 Q479 L484 R485 L486F459-V482 HydrophobicContact CE2-CG1 4.2Å; Y461-V482 HydrophobicContact CD1-CG1 4.35Å; N478-V482 WeakPolarHBondContact O-CG2 3.49Å; N478-V482 PolarHBondContact O-N 3.44Å; Q479-V482 PolarHBondContact O-N 3.31Å; V482-L484 PolarHBondContact O-N 3.4Å; V482-R485 PolarHBondContact O-N 3.42Å; V482-L486 HydrophobicContact CG1-CD1 3.74Å; V482-L486 WeakPolarHBondContact O-CD1 3.26Å; V482-L486 PolarHBondContact O-N 3.4Å
483I74.5Confident76.9Confident89 Ų8994 Ų9446%0.45647%0.473SS..Hα-helixtrans-60.2-45.7177.5-69.3164.5000110.6Q479 N480 R485 L486 I487Q479-I483 WeakPolarHBondContact O-CB 3.04Å; Q479-I483 VanDerWaalsContact O-CG1 3.25Å; Q479-I483 WeakPolarHBondContact O-CG1 3.49Å; Q479-I483 PolarHBondContact O-N 3.46Å; N480-I483 PolarHBondContact O-N 2.95Å; I483-R485 VanDerWaalsContact C-N 3.32Å; I483-R485 PolarHBondContact O-N 2.94Å; I483-L486 PolarHBondContact O-N 3.02Å; I483-I487 HydrophobicContact CG2-CD1 3.71Å; I483-I487 HydrophobicContact CG2-CG1 4.38Å; I483-I487 VanDerWaalsContact O-CG1 3.28Å; I483-I487 WeakPolarHBondContact O-CG1 3.47Å; I483-I487 PolarHBondContact O-N 2.81Å
484L78.4Confident75.6Confident116 Ų116101.2 Ų101.261%0.60750%0.502SS*.Hα-helixtrans-59.1-42176.4-73.5171000112.2N480 V482 I487 Q488N480-L484 VanDerWaalsContact O-CG 3.29Å; N480-L484 WeakPolarHBondContact O-CG 3.24Å; N480-L484 PolarHBondContact O-N 3.49Å; V482-L484 PolarHBondContact O-N 3.4Å; L484-I487 PolarHBondContact O-N 3.25Å; L484-Q488 WeakPolarHBondContact O-CB 3.38Å; L484-Q488 PolarHBondContact O-N 2.92Å
485R83.4Confident74Confident83 Ų8393.1 Ų93.131%0.31348%0.484SS..Hα-helixtrans-68.1-39176.8-73.9-71.6-172.2137.3-1.3112.7F459 K481 V482 I483 Q488 A489F459-R485 HydrophobicContact CD1-CB 3.92Å; F459-R485 HydrophobicContact CD2-CB 3.64Å; F459-R485 HydrophobicContact CD2-CG 4.19Å; F459-R485 HydrophobicContact CE1-CB 3.78Å; F459-R485 HydrophobicContact CE2-CB 3.49Å; F459-R485 VanDerWaalsContact CE2-CB 3.49Å; F459-R485 HydrophobicContact CE2-CG 4.49Å; F459-R485 HydrophobicContact CG-CB 3.86Å; F459-R485 HydrophobicContact CG-CG 4.22Å; F459-R485 HydrophobicContact CZ-CB 3.57Å; K481-R485 WeakPolarHBondContact O-CG 3.45Å; K481-R485 PolarHBondContact O-N 3.06Å; K481-R485 VanDerWaalsContact O-N 3.1Å; V482-R485 PolarHBondContact O-N 3.42Å; I483-R485 VanDerWaalsContact C-N 3.32Å; I483-R485 PolarHBondContact O-N 2.94Å; R485-Q488 PolarHBondContact O-N 3.15Å; R485-A489 WeakPolarHBondContact O-CB 3.46Å; R485-A489 PolarHBondContact O-N 3.33Å
486L78.8Confident72.3Confident70 Ų7096.1 Ų96.137%0.36651%0.506SS..Hα-helixtrans-62-46.8172.8-101.5101.6000111.6F459 Y461 V482 I483 Q488 A489 L490F459-L486 HydrophobicContact CE2-CD1 3.93Å; F459-L486 HydrophobicContact CZ-CD1 3.73Å; F459-L486 HydrophobicContact CZ-CG 4.11Å; Y461-L486 HydrophobicContact CD1-CD1 4.07Å; Y461-L486 HydrophobicContact CE1-CD1 3.88Å; V482-L486 HydrophobicContact CG1-CD1 3.74Å; V482-L486 WeakPolarHBondContact O-CD1 3.26Å; V482-L486 PolarHBondContact O-N 3.4Å; I483-L486 PolarHBondContact O-N 3.02Å; L486-Q488 VanDerWaalsContact C-N 3.27Å; L486-Q488 PolarHBondContact O-N 3.29Å; L486-A489 PolarHBondContact O-N 2.71Å; L486-L490 WeakPolarHBondContact O-CB 3.29Å; L486-L490 VanDerWaalsContact O-CG 3.31Å; L486-L490 WeakPolarHBondContact O-CG 3.18Å; L486-L490 PolarHBondContact O-N 2.74Å
487I77.5Confident70.8Confident76 Ų7697.3 Ų97.339%0.3951%0.506SS..Hα-helixtrans-60.8-41.6177.9-68167.8000110I483 L484 L490 K491I483-I487 HydrophobicContact CG2-CD1 3.71Å; I483-I487 HydrophobicContact CG2-CG1 4.38Å; I483-I487 VanDerWaalsContact O-CG1 3.28Å; I483-I487 WeakPolarHBondContact O-CG1 3.47Å; I483-I487 PolarHBondContact O-N 2.81Å; L484-I487 PolarHBondContact O-N 3.25Å; I487-L490 PolarHBondContact O-N 3.09Å; I487-K491 HydrophobicContact CG2-CD 4.16Å; I487-K491 HydrophobicContact CG2-CG 4.43Å; I487-K491 WeakPolarHBondContact O-CB 3.23Å; I487-K491 WeakPolarHBondContact O-CG 3.35Å; I487-K491 PolarHBondContact O-N 3.47Å
488Q77Confident68.7Low128 Ų12897.3 Ų97.360%0.59851%0.514SS*.Hα-helixtrans-66.9-39.9178.9-156.2171.216.900112L484 R485 L486 K491 K492L484-Q488 WeakPolarHBondContact O-CB 3.38Å; L484-Q488 PolarHBondContact O-N 2.92Å; R485-Q488 PolarHBondContact O-N 3.15Å; L486-Q488 VanDerWaalsContact C-N 3.27Å; L486-Q488 PolarHBondContact O-N 3.29Å; Q488-K491 PolarHBondContact O-N 3.31Å; Q488-K492 WeakPolarHBondContact O-CB 3.38Å; Q488-K492 PolarHBondContact O-N 2.86Å
489A76.9Confident66.2Low50 Ų50102.8 Ų102.841%0.41354%0.537SS..Hα-helixtrans-64.6-42173.600000112.2R485 L486 K492 A493R485-A489 WeakPolarHBondContact O-CB 3.46Å; R485-A489 PolarHBondContact O-N 3.33Å; L486-A489 PolarHBondContact O-N 2.71Å; A489-K492 PolarHBondContact O-N 3.45Å; A489-A493 WeakPolarHBondContact O-CB 3.25Å; A489-A493 PolarHBondContact O-N 3.49Å
490L73.6Confident64.2Low113 Ų113101.8 Ų101.859%0.59254%0.541SS*.Hα-helixtrans-65.8-38.9175.5-72.7170000112.2L486 I487 A493 K494L486-L490 WeakPolarHBondContact O-CB 3.29Å; L486-L490 VanDerWaalsContact O-CG 3.31Å; L486-L490 WeakPolarHBondContact O-CG 3.18Å; L486-L490 PolarHBondContact O-N 2.74Å; I487-L490 PolarHBondContact O-N 3.09Å; L490-A493 PolarHBondContact O-N 2.79Å; L490-K494 WeakPolarHBondContact O-CB 3.14Å; L490-K494 WeakPolarHBondContact O-CG 3.3Å; L490-K494 PolarHBondContact O-N 2.8Å
491K71.8Confident62Low144 Ų144105 Ų10563%0.62655%0.552SS**Hα-helixtrans-65.8-40.7173.8-77.1-178.4178.7-173.80111.5I487 Q488 K494 S495I487-K491 HydrophobicContact CG2-CD 4.16Å; I487-K491 HydrophobicContact CG2-CG 4.43Å; I487-K491 WeakPolarHBondContact O-CB 3.23Å; I487-K491 WeakPolarHBondContact O-CG 3.35Å; I487-K491 PolarHBondContact O-N 3.47Å; Q488-K491 PolarHBondContact O-N 3.31Å; K491-K494 PolarHBondContact O-N 2.92Å; K491-S495 WeakPolarHBondContact O-CB 3.39Å; K491-S495 PolarHBondContact O-N 3.02Å; K491-S495 PolarHBondContact O-OG 2.74Å
492K70Confident59.6Low110 Ų110107 Ų10748%0.47857%0.57SS.*Hα-helixtrans-64.7-41.8176.5-152-179177.8-155.20111.3E457 Q488 A489 S495 S496E457-K492 IonicContact OE1-NZ 2.86Å; E457-K492 PolarHBondContact OE1-NZ 3.02Å; Q488-K492 WeakPolarHBondContact O-CB 3.38Å; Q488-K492 PolarHBondContact O-N 2.86Å; A489-K492 PolarHBondContact O-N 3.45Å; K492-S495 WeakPolarHBondContact CA-OG 3.39Å; K492-S495 PolarHBondContact O-N 3.31Å; K492-S495 PolarHBondContact O-OG 3.28Å; K492-S496 PolarHBondContact O-N 3.46Å; K492-S496 VanDerWaalsContact O-N 3.09Å; K492-S496 PolarHBondContact O-OG 3.05Å
493A64.5Low57.1Low62 Ų62113.4 Ų113.451%0.51260%0.604SS.*Hα-helixtrans-68.1-29.6173.800000113.9A489 L490 S496A489-A493 WeakPolarHBondContact O-CB 3.25Å; A489-A493 PolarHBondContact O-N 3.49Å; L490-A493 PolarHBondContact O-N 2.79Å; A493-S496 PolarHBondContact O-OG 3.46Å; A493-S496 VanDerWaalsContact O-OG 3.1Å
494K54.7Low54.9Low164 Ų164117.8 Ų117.871%0.71362%0.623SS**Hα-helixtrans-74.3-37.9170.4-81.1-174.7173.5-173.80112.1L490 K491 N497L490-K494 WeakPolarHBondContact O-CB 3.14Å; L490-K494 WeakPolarHBondContact O-CG 3.3Å; L490-K494 PolarHBondContact O-N 2.8Å; K491-K494 PolarHBondContact O-N 2.92Å; K494-N497 PolarHBondContact O-N 3.27Å
495S43.9Very low52.8Low82 Ų82117.9 Ų117.957%0.57363%0.633SS**Hα-helixtrans-72.3-27.218063.20000114.4K491 K492 N497K491-S495 WeakPolarHBondContact O-CB 3.39Å; K491-S495 PolarHBondContact O-N 3.02Å; K491-S495 PolarHBondContact O-OG 2.74Å; K492-S495 WeakPolarHBondContact CA-OG 3.39Å; K492-S495 PolarHBondContact O-N 3.31Å; K492-S495 PolarHBondContact O-OG 3.28Å; S495-N497 PolarHBondContact O-N 2.95Å
496S43.5Very low50.2Low99 Ų99120.6 Ų120.669%0.69266%0.659SS**THydrogen-bonded Turntrans-71.6-5.9171.357.50000113.2K492 A493K492-S496 PolarHBondContact O-N 3.46Å; K492-S496 VanDerWaalsContact O-N 3.09Å; K492-S496 PolarHBondContact O-OG 3.05Å; A493-S496 PolarHBondContact O-OG 3.46Å; A493-S496 VanDerWaalsContact O-OG 3.1Å
497N44.4Very low47.9Very low136 Ų136125.1 Ų125.173%0.72768%0.678SS**THydrogen-bonded Turntrans-118.95-176.6-140.112.5000114.9K494 S495K494-N497 PolarHBondContact O-N 3.27Å; S495-N497 PolarHBondContact O-N 2.95Å
498T35.3Very low45.6Very low116 Ų116129.6 Ų129.671%0.71270%0.697SS**  trans-165131.8171.2-19.60000113.8
499Q29.8Very low43.3Very low185 Ų185128.3 Ų128.386%0.86470%0.702SS**  trans-76.6161.8161.3-101.4-165.2-28.300111
500P33.1Very low41.2Very low102 Ų102131.2 Ų131.266%0.66273%0.727SS**  trans-94.9145.8-143.835.9-33.9000114.5
501H29Very low39Very low191 Ų191131.5 Ų131.588%0.88473%0.733SS**  trans-139.3121.6139.5-95-76.7000109.4
502T30.1Very low37.1Very low115 Ų115131.6 Ų131.671%0.70675%0.745SS**  trans-60156164.447.70000111.5
503D29.6Very low35.1Very low150 Ų150137.4 Ų137.480%0.80276%0.764SS**  cis-163.1165.1-13.7-127-23.6000106.3
504E28.4Very low34Very low182 Ų182143.3 Ų143.385%0.8578%0.778SS**  trans124.1101.5152.3-67.3-155.9150.500116.2
505S33.3Very low33.4Very low117 Ų117141.2 Ų141.282%0.81878%0.784SS**  trans-84.1132165.252.10000110.9
506V29.1Very low32.8Very low140 Ų140142.1 Ų142.185%0.84880%0.797SS**  trans-136121.4152.4179.10000109
507E30.6Very low32.3Very low165 Ų165144.1 Ų144.177%0.77180%0.804SS**  trans-62.6140.5164.5-63175.7147.800110.5
508Q28.4Very low31.7Very low170 Ų170141.4 Ų141.479%0.79480%0.801SS**  152.6127.5125.8-83.2170.96.400113.1
509S28.2Very low32Very low101 Ų101143.5 Ų143.571%0.70681%0.808SS**  trans42.6113.3133.3-54.10000119.2T511S509-T511 PolarHBondContact O-N 3.34Å; S509-T511 PolarHBondContact O-OG1 2.89Å
510A33.3Very low32.3Very low112 Ų112142.4 Ų142.493%0.92681%0.807SS**  trans-45.2108.3166.100000112
511T27.2Very low32.6Very low119 Ų119146 Ų14673%0.7382%0.815SS**  trans-138.2118.116424.60000108.6S509 R513S509-T511 PolarHBondContact O-N 3.34Å; S509-T511 PolarHBondContact O-OG1 2.89Å; T511-R513 PolarHBondContact O-N 2.8Å
512V32.8Very low33.3Very low145 Ų145142.6 Ų142.688%0.87981%0.81SS**  trans-68.1110.6177.6176.90000108.8
513R28.2Very low34.1Very low232 Ų232143.8 Ų143.888%0.87582%0.817SS**  trans-92.1105.5167.4-78.9-175.6174.4147.30.4109.9T511T511-R513 PolarHBondContact O-N 2.8Å
514K40.7Very low35.5Very low187 Ų187139.9 Ų139.981%0.81381%0.812SS**  trans-57.4148.4149.6-82.7174.6172.6174.20108.4
515S41.7Very low36.7Very low119 Ų119136.7 Ų136.783%0.83280%0.8SS**  trans82.790.317681.70000117.5
516A32.1Very low37.9Very low102 Ų102135 Ų13584%0.84379%0.786SS**  trans-172.364.5137.700000110.5A518A516-A518 VanDerWaalsContact C-N 3.32Å; A516-A518 PolarHBondContact O-N 3.39Å
517V32.4Very low38.9Very low140 Ų140138.3 Ų138.385%0.84879%0.793SS**  trans-89.184.1157.8-176.20000106.2
518A31.8Very low40.3Very low80 Ų80134 Ų13466%0.66179%0.793SS**  trans-77.6119.4157.900000106.5A516 L520A516-A518 VanDerWaalsContact C-N 3.32Å; A516-A518 PolarHBondContact O-N 3.39Å; A518-L520 PolarHBondContact O-N 2.61Å
519N42.6Very low41.4Very low159 Ų159131.6 Ų131.685%0.8579%0.785SS**  trans-51.7100.4170.6-76.6-54.6000109.9
520L36.1Very low42.5Very low162 Ų162132.6 Ų132.685%0.84878%0.781SS**  trans-93.3112.4161.3-77.7163.6000106.7A518A518-L520 PolarHBondContact O-N 2.61Å
521Q39.5Very low43.7Very low177 Ų177129.7 Ų129.783%0.82776%0.762SS**  trans-55.2136.3167.3-76.3-177.8-3800109.2V523Q521-V523 PolarHBondContact O-N 2.75Å; Q521-V523 VanDerWaalsContact O-N 3.09Å
522P42.8Very low45.4Very low120 Ų120129.8 Ų129.878%0.77977%0.765SS**  trans-75.2105.1-178.328.8-30.7000109.4
523V47.2Very low46.8Very low140 Ų140127.3 Ų127.385%0.84875%0.752SS**  trans-87.6112.7165.7177.40000108.2Q521Q521-V523 PolarHBondContact O-N 2.75Å; Q521-V523 VanDerWaalsContact O-N 3.09Å
524G58.8Low48.6Very low69 Ų69120.1 Ų120.171%0.71174%0.737SS**  trans75.151.2146.300000117.6
525L52.9Low50Low114 Ų114114.2 Ų114.260%0.59771%0.714SS**PPolyproline II helixtrans-83.3129.1157.9-75.3158.4000108.8I530L525-I530 HydrophobicContact CD1-CD1 3.67Å
526P58.4Low51.4Low81 Ų81114.1 Ų114.153%0.52670%0.7SS.*PPolyproline II helixtrans-55.7138.1175.6-22.630.8000111.8G528 L529P526-G528 PolarHBondContact O-N 2.72Å; P526-L529 HydrophobicContact CB-CD1 3.87Å; P526-L529 HydrophobicContact CG-CD1 3.56Å; P526-L529 WeakPolarHBondContact O-CB 3.37Å; P526-L529 PolarHBondContact O-N 3.24Å; P526-L529 VanDerWaalsContact O-N 3.15Å
527E50.9Low53.3Low210 Ų210113.1 Ų113.198%0.98169%0.686SS**THydrogen-bonded Turntrans-61.4120.9178.4-146.7169.7-161.200109.4
528G59.1Low55.3Low75 Ų75109.6 Ų109.677%0.77366%0.662SS**THydrogen-bonded Turntrans100.1-3.3-176.700000116.3P526P526-G528 PolarHBondContact O-N 2.72Å
529L52.7Low57.4Low119 Ų119113.1 Ų113.162%0.62366%0.662SS**SBendtrans-79.6-20.7177.5-133.6142.5000113.1P526P526-L529 HydrophobicContact CB-CD1 3.87Å; P526-L529 HydrophobicContact CG-CD1 3.56Å; P526-L529 WeakPolarHBondContact O-CB 3.37Å; P526-L529 PolarHBondContact O-N 3.24Å; P526-L529 VanDerWaalsContact O-N 3.15Å
530I51.7Low58.9Low122 Ų122107.3 Ų107.363%0.62663%0.63SS**SBendtrans-116.9120.3171.6-59-179.5000106.7L525L525-I530 HydrophobicContact CD1-CD1 3.67Å
531G57.5Low60.6Low52 Ų52105.9 Ų105.954%0.53662%0.624SS.*PPolyproline II helixtrans-62.9160.4173.300000111.5
532P64.1Low62.3Low120 Ų12099.7 Ų99.778%0.77961%0.608SS**PPolyproline II helixtrans-54.4135.6176.124.3-32.9000109.5S534P532-S534 PolarHBondContact O-N 2.83Å
533P61.7Low64Low93 Ų9398.3 Ų98.360%0.60459%0.59SS**PPolyproline II helixtrans-62.3134.4177.928.4-34.8000108.8L535P533-L535 HydrophobicContact CB-CD1 4.2Å; P533-L535 HydrophobicContact CB-CG 4.01Å; P533-L535 HydrophobicContact CG-CD1 3.86Å; P533-L535 HydrophobicContact CG-CG 4.14Å; P533-L535 PolarHBondContact O-N 3.45Å
534S64.8Low65.4Low82 Ų8297.5 Ų97.557%0.57358%0.581SS**  trans-72.873.2176.5-64.40000110.4P532 L549P532-S534 PolarHBondContact O-N 2.83Å; S534-L549 PolarHBondContact O-N 2.88Å
535L71.2Confident66.2Low63 Ų6394.3 Ų94.333%0.3355%0.547SS..EExtended strand (participates in β ladder)trans-98126176.4-62.4173.7000109.1P533 D546 A547 L548 F559P533-L535 HydrophobicContact CB-CD1 4.2Å; P533-L535 HydrophobicContact CB-CG 4.01Å; P533-L535 HydrophobicContact CG-CD1 3.86Å; P533-L535 HydrophobicContact CG-CG 4.14Å; P533-L535 PolarHBondContact O-N 3.45Å; L535-D546 HydrophobicContact CB-CB 4.49Å; L535-A547 WeakPolarHBondContact CA-O 3.46Å; L535-L548 HydrophobicContact CD2-CB 4.28Å; L535-L548 HydrophobicContact CD2-CD1 4.08Å; L535-F559 HydrophobicContact CD2-CE2 4.21Å; L535-F559 HydrophobicContact CD2-CZ 4.42Å
536E70.7Confident67.2Low116 Ų11693.4 Ų93.454%0.54254%0.544SS..EExtended strand (participates in β ladder)trans-113.6135.5172.9-80.4-72.1165.100109.6L538 A547 L549E536-L538 PolarHBondContact O-N 3.1Å; E536-A547 PolarHBondContact N-O 3.08Å; E536-A547 PolarHBondContact O-N 3.33Å; E536-L549 HydrophobicContact CB-CD1 4.38Å; E536-L549 HydrophobicContact CG-CD1 4.15Å
537P72.2Confident67.6Low82 Ų8290 Ų9053%0.53252%0.522SS..EExtended strand (participates in β ladder)trans-71.9111.9176.728.3-32.7000110.3L544P537-L544 HydrophobicContact CB-CD2 3.97Å
538L73.6Confident68.4Low66 Ų6683.2 Ų83.235%0.34649%0.492SS..EExtended strand (participates in β ladder)trans-105.7147.8175.4-166.180.4000110.3E536 I540 L544 C545 A547 V555E536-L538 PolarHBondContact O-N 3.1Å; L538-I540 HydrophobicContact CD2-CD1 4.03Å; L538-I540 HydrophobicContact CD2-CG1 3.72Å; L538-I540 HydrophobicContact CG-CG1 4.36Å; L538-L544 CarbonylContact O-C 3.59Å; L538-L544 WeakPolarHBondContact O-CA 3.24Å; L538-C545 PolarHBondContact N-O 3.48Å; L538-C545 PolarHBondContact O-N 3.24Å; L538-A547 HydrophobicContact CB-CB 4.29Å; L538-V555 HydrophobicContact CD2-CG1 4Å; L538-V555 HydrophobicContact CD2-CG2 3.92Å
539K77.8Confident68.5Low153 Ų15385.4 Ų85.467%0.66549%0.485SS*.EExtended strand (participates in β ladder)trans-102111.6172.6-166.7169.6177.1171.30110.1G542 Q543K539-G542 WeakPolarHBondContact CE-O 3.49Å; K539-Q543 CarbonylContact C-O 3.54Å; K539-Q543 WeakPolarHBondContact CA-O 3.12Å
540I73.4Confident68.8Low37 Ų3784 Ų8419%0.1948%0.479CS..EExtended strand (participates in β ladder)trans-111.4123.6175.5-55.2173.4000107.8L538 G542 Q543 C545 I558 W562 L567L538-I540 HydrophobicContact CD2-CD1 4.03Å; L538-I540 HydrophobicContact CD2-CG1 3.72Å; L538-I540 HydrophobicContact CG-CG1 4.36Å; I540-G542 PolarHBondContact O-N 2.96Å; I540-G542 VanDerWaalsContact O-N 3.11Å; I540-Q543 PolarHBondContact N-O 3.29Å; I540-Q543 PolarHBondContact O-N 3.21Å; I540-C545 HydrophobicContact CD1-CB 4.26Å; I540-I558 HydrophobicContact CD1-CG2 3.66Å; I540-W562 HydrophobicContact CB-CH2 3.76Å; I540-W562 HydrophobicContact CB-CZ2 4.48Å; I540-W562 HydrophobicContact CB-CZ3 4.41Å; I540-W562 HydrophobicContact CD1-CH2 4.43Å; I540-W562 HydrophobicContact CD1-CZ3 4.4Å; I540-W562 HydrophobicContact CG2-CH2 4.18Å; I540-L567 HydrophobicContact CG2-CD1 4.05Å
541N71.3Confident68.8Low133 Ų13384.4 Ų84.471%0.71149%0.492SS*.THydrogen-bonded Turntrans48.936.7-176.5-73-7.2000114.6Q543 L567N541-Q543 VanDerWaalsContact C-N 3.29Å; N541-Q543 PolarHBondContact O-N 3.09Å; N541-L567 WeakPolarHBondContact ND2-CD2 3.47Å
542G76.3Confident68.6Low47 Ų4785.1 Ų85.149%0.48550%0.499SS..THydrogen-bonded Turntrans87.1-8.2179.500000115.2K539 I540K539-G542 WeakPolarHBondContact CE-O 3.49Å; I540-G542 PolarHBondContact O-N 2.96Å; I540-G542 VanDerWaalsContact O-N 3.11Å
543Q77.2Confident68Low90 Ų9083 Ų8342%0.42149%0.487SS..EExtended strand (participates in β ladder)trans-106.3138.5-176.9-61.7-63.8-16.600111.1K539 I540 N541 W562 Y566K539-Q543 CarbonylContact C-O 3.54Å; K539-Q543 WeakPolarHBondContact CA-O 3.12Å; I540-Q543 PolarHBondContact N-O 3.29Å; I540-Q543 PolarHBondContact O-N 3.21Å; N541-Q543 VanDerWaalsContact C-N 3.29Å; N541-Q543 PolarHBondContact O-N 3.09Å; Q543-W562 HydrophobicContact CB-CH2 4.32Å; Q543-W562 HydrophobicContact CB-CZ2 3.64Å; Q543-Y566 HydrophobicContact CB-CD1 4.45Å; Q543-Y566 HydrophobicContact CB-CG 4.42Å; Q543-Y566 HydrophobicContact CG-CD1 3.89Å; Q543-Y566 HydrophobicContact CG-CE1 4.35Å; Q543-Y566 HydrophobicContact CG-CG 4.27Å
544L76.3Confident67.5Low123 Ų12390.6 Ų90.664%0.64450%0.504SS*.EExtended strand (participates in β ladder)trans-75.1132.6177.7-87.3148000110.8P537 L538 W562P537-L544 HydrophobicContact CB-CD2 3.97Å; L538-L544 CarbonylContact O-C 3.59Å; L538-L544 WeakPolarHBondContact O-CA 3.24Å; L544-W562 PolarHBondContact O-NE1 2.82Å
545C76.4Confident67Low2 Ų290.6 Ų90.61%0.01450%0.5CS..EExtended strand (participates in β ladder)trans-134.6130.8178.6-176.20000109.6L538 I540 A547 W562L538-C545 PolarHBondContact N-O 3.48Å; L538-C545 PolarHBondContact O-N 3.24Å; I540-C545 HydrophobicContact CD1-CB 4.26Å; C545-A547 PolarHBondContact O-N 3.36Å; C545-W562 HydrophobicContact CB-CD2 4Å; C545-W562 HydrophobicContact CB-CG 4.43Å; C545-W562 HydrophobicContact CB-CH2 4.39Å; C545-W562 HydrophobicContact CB-CZ2 3.77Å
546D73.4Confident66.2Low96 Ų9690.1 Ų90.151%0.51350%0.502SS..EExtended strand (participates in β ladder)trans-78.7110.4169.8-60.3-34.5000108.4L535L535-D546 HydrophobicContact CB-CB 4.49Å
547A68.1Low66Low8 Ų888.9 Ų88.97%0.06650%0.498CS..EExtended strand (participates in β ladder)trans-109.2138.9-177.100000110.7L535 E536 L538 C545 V555L535-A547 WeakPolarHBondContact CA-O 3.46Å; E536-A547 PolarHBondContact N-O 3.08Å; E536-A547 PolarHBondContact O-N 3.33Å; L538-A547 HydrophobicContact CB-CB 4.29Å; C545-A547 PolarHBondContact O-N 3.36Å; A547-V555 HydrophobicContact CB-CG1 4.48Å
548L66.4Low65.8Low69 Ų6987.5 Ų87.536%0.36149%0.486SS..EExtended strand (participates in β ladder)trans-75.9125175.4-169.675.5000110L535 I557L535-L548 HydrophobicContact CD2-CB 4.28Å; L535-L548 HydrophobicContact CD2-CD1 4.08Å; L548-I557 HydrophobicContact CD2-CD1 4.27Å
549L62.8Low65.9Low121 Ų12189.3 Ų89.363%0.63449%0.491SS*.  trans-81.2119.5177.3-150.889.9000110.2S534 E536S534-L549 PolarHBondContact O-N 2.88Å; E536-L549 HydrophobicContact CB-CD1 4.38Å; E536-L549 HydrophobicContact CG-CD1 4.15Å
550D58.6Low65.9Low90 Ų9087.9 Ų87.948%0.48149%0.487SS..  trans-112.9137.2172.7-171.811.5000109.5G552D550-G552 PolarHBondContact O-N 3.15Å
551S50Low66.1Low130 Ų13090.6 Ų90.691%0.90951%0.509SS*.THydrogen-bonded Turntrans-75.84.7-165.259.20000114.9
552G53.6Low66.7Low66 Ų6685.7 Ų85.768%0.6848%0.48SS*.THydrogen-bonded Turntrans-136.210.4-176.300000116.4D550D550-G552 PolarHBondContact O-N 3.15Å
553S52Low66.9Low75 Ų7585.3 Ų85.352%0.52447%0.465SS..SBendtrans-144.9147.9-175.5-70.30000113.4V555 S556S553-V555 PolarHBondContact O-N 3.18Å; S553-V555 VanDerWaalsContact O-N 3.08Å; S553-S556 VanDerWaalsContact CB-OG 3.24Å; S553-S556 WeakPolarHBondContact CB-OG 3.49Å
554R51.6Low67Low254 Ų25488.9 Ų88.996%0.95847%0.474SS*.SBendtrans-76.391166.2-74.8-177.5175.4160.4-0.1108.6
555V53.2Low67.3Low81 Ų8191.8 Ų91.849%0.49148%0.477SS..  trans62.4109172-172.40000114.5L538 A547 S553L538-V555 HydrophobicContact CD2-CG1 4Å; L538-V555 HydrophobicContact CD2-CG2 3.92Å; A547-V555 HydrophobicContact CB-CG1 4.48Å; S553-V555 PolarHBondContact O-N 3.18Å; S553-V555 VanDerWaalsContact O-N 3.08Å
556S55.8Low67.6Low53 Ų5395.7 Ų95.737%0.37149%0.492SS..  trans-106.3-27.1-168.2-53.10000115.9S553S553-S556 VanDerWaalsContact CB-OG 3.24Å; S553-S556 WeakPolarHBondContact CB-OG 3.49Å
557I65.1Low67.9Low90 Ų9092 Ų9246%0.46247%0.472SS..  trans-147.4123.1-173.1-51178.6000111.9L548L548-I557 HydrophobicContact CD2-CD1 4.27Å
558I69.7Low68.4Low53 Ų5395.7 Ų95.727%0.27250%0.497SS..  trans-106.1140.3161.758.9175.7000109.1I540 W562 Y563 L567I540-I558 HydrophobicContact CD1-CG2 3.66Å; I558-W562 HydrophobicContact CD1-CE3 4.37Å; I558-Y563 HydrophobicContact CD1-CD2 4.21Å; I558-L567 HydrophobicContact CD1-CD1 4.18Å
559F75.6Confident69.2Low105 Ų10598.6 Ų98.646%0.46151%0.513SS..  trans-67.8140.5178.6-67.3-78.1000111.2L535 S561 W562 Y563L535-F559 HydrophobicContact CD2-CE2 4.21Å; L535-F559 HydrophobicContact CD2-CZ 4.42Å; F559-S561 PolarHBondContact O-N 3.43Å; F559-W562 WeakPolarHBondContact O-CB 3.47Å; F559-W562 PolarHBondContact O-N 3.37Å; F559-Y563 PolarHBondContact O-N 3.33Å; F559-Y563 VanDerWaalsContact O-N 3.09Å
560E76.6Confident70Confident123 Ų12395.8 Ų95.858%0.57550%0.501SS*.Hα-helixtrans-57.1-36-177.9-175.4178-168.300112.7W562 Y563 R564E560-W562 VanDerWaalsContact C-N 3.28Å; E560-W562 PolarHBondContact O-N 3.11Å; E560-Y563 PolarHBondContact O-N 2.98Å; E560-R564 HydrophobicContact CG-CG 4.39Å; E560-R564 WeakPolarHBondContact O-CG 3.4Å; E560-R564 PolarHBondContact O-N 2.8Å; E560-R564 IonicContact OE1-CZ 3.29Å; E560-R564 VanDerWaalsContact OE1-CZ 3.29Å; E560-R564 IonicContact OE1-NE 3.24Å; E560-R564 PolarHBondContact OE1-NE 3.47Å; E560-R564 IonicContact OE1-NH2 2.65Å; E560-R564 PolarHBondContact OE1-NH2 3.36Å; E560-R564 IonicContact OE2-NH2 3.86Å
561S78.2Confident71Confident94 Ų9495.7 Ų95.766%0.65751%0.506SS*.Hα-helixtrans-60.5-36.7176.553.60000112.8F559F559-S561 PolarHBondContact O-N 3.43Å
562W84.3Confident72.3Confident29 Ų2995.5 Ų95.511%0.1149%0.493CS..Hα-helixtrans-76-45.8177.8-169.1100.3000111I540 Q543 L544 C545 I558 F559 E560 R564 R565 Y566 L567I540-W562 HydrophobicContact CB-CH2 3.76Å; I540-W562 HydrophobicContact CB-CZ2 4.48Å; I540-W562 HydrophobicContact CB-CZ3 4.41Å; I540-W562 HydrophobicContact CD1-CH2 4.43Å; I540-W562 HydrophobicContact CD1-CZ3 4.4Å; I540-W562 HydrophobicContact CG2-CH2 4.18Å; Q543-W562 HydrophobicContact CB-CH2 4.32Å; Q543-W562 HydrophobicContact CB-CZ2 3.64Å; L544-W562 PolarHBondContact O-NE1 2.82Å; C545-W562 HydrophobicContact CB-CD2 4Å; C545-W562 HydrophobicContact CB-CG 4.43Å; C545-W562 HydrophobicContact CB-CH2 4.39Å; C545-W562 HydrophobicContact CB-CZ2 3.77Å; I558-W562 HydrophobicContact CD1-CE3 4.37Å; F559-W562 WeakPolarHBondContact O-CB 3.47Å; F559-W562 PolarHBondContact O-N 3.37Å; E560-W562 VanDerWaalsContact C-N 3.28Å; E560-W562 PolarHBondContact O-N 3.11Å; W562-R564 PolarHBondContact O-N 2.85Å; W562-R565 PolarHBondContact O-N 2.85Å; W562-Y566 AromaticContact CD1-CD2 3.79Å; W562-Y566 AromaticContact CD1-CE2 3.85Å; W562-Y566 AromaticContact CD2-CD2 3.75Å; W562-Y566 HydrophobicContact CD2-CD2 3.75Å; W562-Y566 AromaticContact CE2-CD2 3.46Å; W562-Y566 VanDerWaalsContact CE2-CD2 3.46Å; W562-Y566 HydrophobicContact CE3-CD2 4.46Å; W562-Y566 AromaticContact CG-CD2 3.93Å; W562-Y566 HydrophobicContact CG-CD2 3.93Å; W562-Y566 HydrophobicContact CG-CE2 4.38Å; W562-Y566 AromaticContact CZ2-CD2 3.94Å; W562-Y566 HydrophobicContact CZ2-CD2 3.94Å; W562-Y566 HydrophobicContact CZ2-CG 4.24Å; W562-Y566 AromaticContact NE1-CD2 3.5Å; W562-Y566 AromaticContact NE1-CE2 3.67Å; W562-Y566 WeakPolarHBondContact O-CD2 3.16Å; W562-Y566 PolarHBondContact O-N 3.42Å; W562-L567 HydrophobicContact CH2-CD1 4.32Å; W562-L567 HydrophobicContact CH2-CG 4.3Å; W562-L567 HydrophobicContact CZ3-CD1 3.59Å; W562-L567 HydrophobicContact CZ3-CG 3.75Å
563Y80.3Confident73.3Confident40 Ų4099.4 Ų99.416%0.15749%0.493CS..Hα-helixtrans-55.1-48.5175.8166.8-89.6000111.6I558 F559 E560 R565 Y566 L567 S568 T570 I572I558-Y563 HydrophobicContact CD1-CD2 4.21Å; F559-Y563 PolarHBondContact O-N 3.33Å; F559-Y563 VanDerWaalsContact O-N 3.09Å; E560-Y563 PolarHBondContact O-N 2.98Å; Y563-R565 PolarHBondContact O-N 3.49Å; Y563-R565 VanDerWaalsContact O-N 3.14Å; Y563-Y566 PolarHBondContact O-N 3.07Å; Y563-L567 HydrophobicContact CD2-CB 3.82Å; Y563-L567 HydrophobicContact CE2-CB 4.12Å; Y563-L567 WeakPolarHBondContact CE2-O 3.41Å; Y563-L567 CarbonylContact O-C 3.54Å; Y563-L567 VanDerWaalsContact O-C 3.3Å; Y563-L567 WeakPolarHBondContact O-CA 3.39Å; Y563-L567 PolarHBondContact O-N 3.02Å; Y563-S568 PolarHBondContact O-N 3.22Å; Y563-T570 WeakPolarHBondContact CE2-O 3.45Å; Y563-T570 PolarHBondContact OH-O 3.25Å; Y563-I572 HydrophobicContact CD1-CD1 4.01Å; Y563-I572 HydrophobicContact CD2-CD1 4.4Å; Y563-I572 HydrophobicContact CD2-CG1 4.48Å; Y563-I572 HydrophobicContact CE1-CD1 3.51Å; Y563-I572 HydrophobicContact CE1-CG1 4.14Å; Y563-I572 HydrophobicContact CE2-CD1 3.9Å; Y563-I572 HydrophobicContact CE2-CG1 3.7Å; Y563-I572 HydrophobicContact CG-CD1 4.45Å; Y563-I572 VanDerWaalsContact CZ-CD1 3.44Å; Y563-I572 WeakPolarHBondContact OH-CG1 3.27Å
564R79.7Confident74.3Confident164 Ų164100.5 Ų100.562%0.61950%0.499SS*.Hα-helixtrans-60.8-26.8179.1-72.9-178.8-173.7-1772.5113.2E560 W562 S568E560-R564 HydrophobicContact CG-CG 4.39Å; E560-R564 WeakPolarHBondContact O-CG 3.4Å; E560-R564 PolarHBondContact O-N 2.8Å; E560-R564 IonicContact OE1-CZ 3.29Å; E560-R564 VanDerWaalsContact OE1-CZ 3.29Å; E560-R564 IonicContact OE1-NE 3.24Å; E560-R564 PolarHBondContact OE1-NE 3.47Å; E560-R564 IonicContact OE1-NH2 2.65Å; E560-R564 PolarHBondContact OE1-NH2 3.36Å; E560-R564 IonicContact OE2-NH2 3.86Å; W562-R564 PolarHBondContact O-N 2.85Å; R564-S568 WeakPolarHBondContact O-CB 3.42Å
565R82.9Confident74.8Confident185 Ų18595.8 Ų95.870%0.69850%0.498SS*.Hα-helixtrans-88-34.1-176.3-172170.1178.5168.6-0.6113.2W562 Y563W562-R565 PolarHBondContact O-N 2.85Å; Y563-R565 PolarHBondContact O-N 3.49Å; Y563-R565 VanDerWaalsContact O-N 3.14Å
566Y81.7Confident75.1Confident83 Ų8396.7 Ų96.733%0.32551%0.508SS..Hα-helixtrans-126.6-11.8-168.5-58.2-68000115.3Q543 W562 Y563Q543-Y566 HydrophobicContact CB-CD1 4.45Å; Q543-Y566 HydrophobicContact CB-CG 4.42Å; Q543-Y566 HydrophobicContact CG-CD1 3.89Å; Q543-Y566 HydrophobicContact CG-CE1 4.35Å; Q543-Y566 HydrophobicContact CG-CG 4.27Å; W562-Y566 AromaticContact CD1-CD2 3.79Å; W562-Y566 AromaticContact CD1-CE2 3.85Å; W562-Y566 AromaticContact CD2-CD2 3.75Å; W562-Y566 HydrophobicContact CD2-CD2 3.75Å; W562-Y566 AromaticContact CE2-CD2 3.46Å; W562-Y566 VanDerWaalsContact CE2-CD2 3.46Å; W562-Y566 HydrophobicContact CE3-CD2 4.46Å; W562-Y566 AromaticContact CG-CD2 3.93Å; W562-Y566 HydrophobicContact CG-CD2 3.93Å; W562-Y566 HydrophobicContact CG-CE2 4.38Å; W562-Y566 AromaticContact CZ2-CD2 3.94Å; W562-Y566 HydrophobicContact CZ2-CD2 3.94Å; W562-Y566 HydrophobicContact CZ2-CG 4.24Å; W562-Y566 AromaticContact NE1-CD2 3.5Å; W562-Y566 AromaticContact NE1-CE2 3.67Å; W562-Y566 WeakPolarHBondContact O-CD2 3.16Å; W562-Y566 PolarHBondContact O-N 3.42Å; Y563-Y566 PolarHBondContact O-N 3.07Å
567L80.2Confident74.5Confident18 Ų18107.8 Ų107.89%0.09455%0.549CS..  trans-138.827.1-178.9-66.3-178.8000112.7I540 N541 I558 W562 Y563 D569 T570I540-L567 HydrophobicContact CG2-CD1 4.05Å; N541-L567 WeakPolarHBondContact ND2-CD2 3.47Å; I558-L567 HydrophobicContact CD1-CD1 4.18Å; W562-L567 HydrophobicContact CH2-CD1 4.32Å; W562-L567 HydrophobicContact CH2-CG 4.3Å; W562-L567 HydrophobicContact CZ3-CD1 3.59Å; W562-L567 HydrophobicContact CZ3-CG 3.75Å; Y563-L567 HydrophobicContact CD2-CB 3.82Å; Y563-L567 HydrophobicContact CE2-CB 4.12Å; Y563-L567 WeakPolarHBondContact CE2-O 3.41Å; Y563-L567 CarbonylContact O-C 3.54Å; Y563-L567 VanDerWaalsContact O-C 3.3Å; Y563-L567 WeakPolarHBondContact O-CA 3.39Å; Y563-L567 PolarHBondContact O-N 3.02Å; L567-D569 VanDerWaalsContact C-OD1 3.25Å; L567-D569 WeakPolarHBondContact CA-OD1 3.16Å; L567-D569 PolarHBondContact O-N 2.88Å; L567-D569 VanDerWaalsContact O-N 3.14Å; L567-T570 PolarHBondContact O-N 3.41Å
568S78.3Confident75Confident86 Ų86108.7 Ų108.760%0.60155%0.554SS**THydrogen-bonded Turntrans-64.5-17.4-178.152.30000113.9Y563 R564Y563-S568 PolarHBondContact O-N 3.22Å; R564-S568 WeakPolarHBondContact O-CB 3.42Å
569D82.9Confident75.3Confident131 Ų131111.6 Ų111.670%0.70157%0.568SS**THydrogen-bonded Turntrans-81.6-15.1174.260.4-29.2000113.7L567L567-D569 VanDerWaalsContact C-OD1 3.25Å; L567-D569 WeakPolarHBondContact CA-OD1 3.16Å; L567-D569 PolarHBondContact O-N 2.88Å; L567-D569 VanDerWaalsContact O-N 3.14Å
570T79.7Confident75.2Confident62 Ų62112 Ų11238%0.3857%0.574SS.*SBendtrans-94113.7-177.4-56.20000110.8Y563 L567 I572Y563-T570 WeakPolarHBondContact CE2-O 3.45Å; Y563-T570 PolarHBondContact OH-O 3.25Å; L567-T570 PolarHBondContact O-N 3.41Å; T570-I572 PolarHBondContact O-N 2.98Å
571P79.4Confident75.2Confident88 Ų88111.4 Ų111.457%0.57157%0.574SS**PPolyproline II helixtrans-64.8131.8-174.524.1-32.2000113.3
572I77.6Confident75Confident125 Ų125112.4 Ų112.464%0.64157%0.569SS**PPolyproline II helixtrans-81.2118.3172.8-63.2166.7000109.4Y563 T570Y563-I572 HydrophobicContact CD1-CD1 4.01Å; Y563-I572 HydrophobicContact CD2-CD1 4.4Å; Y563-I572 HydrophobicContact CD2-CG1 4.48Å; Y563-I572 HydrophobicContact CE1-CD1 3.51Å; Y563-I572 HydrophobicContact CE1-CG1 4.14Å; Y563-I572 HydrophobicContact CE2-CD1 3.9Å; Y563-I572 HydrophobicContact CE2-CG1 3.7Å; Y563-I572 HydrophobicContact CG-CD1 4.45Å; Y563-I572 VanDerWaalsContact CZ-CD1 3.44Å; Y563-I572 WeakPolarHBondContact OH-CG1 3.27Å; T570-I572 PolarHBondContact O-N 2.98Å
573H75.7Confident74.4Confident148 Ų148118 Ų11869%0.68560%0.6SS**PPolyproline II helixtrans-93.7131.6172.3-63.3-65.5000110.9
574P71.3Confident73.9Confident99 Ų99123.6 Ų123.664%0.64363%0.632SS**PPolyproline II helixtrans-68.6147.2174.828.5-32.8000111.2S576P574-S576 PolarHBondContact O-N 3.5Å
575V63.8Low73.5Confident155 Ų155120.5 Ų120.594%0.93963%0.633SS**SBendtrans-78.37.5-174.1-176.90000113.4
576S58.4Low72.7Confident100 Ų100115.1 Ų115.170%0.69963%0.627SS**  trans-142.2136.5175.661.30000113.7P574P574-S576 PolarHBondContact O-N 3.5Å
577K43.6Very low71.9Confident286 Ų286118 Ų118100%1.24365%0.654SS**  trans-113.10157.1-93.2-171178.1179.60108.6

Retrieved 577 of 577 residues in 574.4 ms (Link to these results)