A0A077Z1A2_TRITR Loading...

Delta-1-pyrroline-5-carboxylate synthase

AlphaFold DB , UniProt , Accession A0A077Z1A2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 753 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
1M46.3Very low55.8Low118 Ų118102.1 Ų102.158%0.58155%0.548SS*.  0104.60-74.9-173.7171.500109.2V200 W262 R266M1-V200 HydrophobicContact CE-CG1 4.17Å; M1-V200 HydrophobicContact SD-CG1 3.67Å; M1-W262 HydrophobicContact SD-CH2 4.01Å; M1-R266 PolarHBondContact O-NH2 3.14Å
2E42.8Very low57.3Low181 Ų181104.2 Ų104.285%0.84655%0.548SS*.PPolyproline II helixtrans-61.4153.6169.4-75.5-178.616100111.1A4E2-A4 PolarHBondContact O-N 2.83Å
3P44.3Very low58.6Low99 Ų9997.7 Ų97.764%0.64352%0.519SS*.PPolyproline II helixtrans-61.6133.4172.124.7-30.8000109.9
4A45.4Very low60.1Low49 Ų4991.1 Ų91.141%0.40548%0.483SS..PPolyproline II helixtrans-66.9139178.200000109.8E2 K6 V7E2-A4 PolarHBondContact O-N 2.83Å; A4-K6 PolarHBondContact O-N 3.34Å; A4-V7 HydrophobicContact CB-CG2 3.88Å
5A44.8Very low61.2Low93 Ų9391.1 Ų91.177%0.76948%0.479SS*.SBendtrans-51.2134.5166.500000109.1V7A5-V7 VanDerWaalsContact C-N 3.33Å; A5-V7 WeakPolarHBondContact O-CG2 3.48Å; A5-V7 PolarHBondContact O-N 2.88Å
6K50Low62.7Low212 Ų21286.8 Ų86.892%0.92246%0.457SS*.  trans-24.387-176.4-73.9-178176.2-179.10112.9A4 E8A4-K6 PolarHBondContact O-N 3.34Å; K6-E8 PolarHBondContact O-N 3.48Å
7V52.8Low64.2Low86 Ų8681.7 Ų81.752%0.52143%0.43SS..  trans-68.9126.1172.5-179.20000105.1A4 A5 P9A4-V7 HydrophobicContact CB-CG2 3.88Å; A5-V7 VanDerWaalsContact C-N 3.33Å; A5-V7 WeakPolarHBondContact O-CG2 3.48Å; A5-V7 PolarHBondContact O-N 2.88Å; V7-P9 WeakPolarHBondContact O-CD 3.45Å
8E61Low65.5Low155 Ų15582.9 Ų82.972%0.72443%0.431SS*.  trans-55.7127.5172.8-90.8-161.1144.900108.7K6 W10K6-E8 PolarHBondContact O-N 3.48Å; E8-W10 PolarHBondContact O-N 2.96Å
9P66.2Low66.7Low43 Ų4386 Ų8628%0.27944%0.441SS..  trans-59.9115.3175.8-24.4000109.1V7 V11 K12 A296 A297V7-P9 WeakPolarHBondContact O-CD 3.45Å; P9-V11 VanDerWaalsContact C-N 3.35Å; P9-K12 WeakPolarHBondContact O-CE 3.5Å; P9-A296 HydrophobicContact CB-CB 4.06Å; P9-A296 HydrophobicContact CG-CB 4.08Å; P9-A297 HydrophobicContact CB-CB 4.21Å; P9-A297 HydrophobicContact CG-CB 4.19Å
10W79.4Confident68.1Low85 Ų8581.7 Ų81.732%0.32242%0.419SS..SBendtrans-75.5-30.1176.279.9-99.3000111.1E8 K12 D16 K19 A20 D205 P269E8-W10 PolarHBondContact O-N 2.96Å; W10-K12 PolarHBondContact O-N 2.7Å; W10-D16 HydrophobicContact CE3-CB 4.19Å; W10-D16 WeakPolarHBondContact CH2-O 3.21Å; W10-D16 HydrophobicContact CZ3-CB 3.83Å; W10-D16 WeakPolarHBondContact CZ3-O 3.34Å; W10-K19 HydrophobicContact CZ3-CB 4.08Å; W10-A20 HydrophobicContact CH2-CB 4.09Å; W10-A20 HydrophobicContact CZ2-CB 4.38Å; W10-D205 HydrophobicContact CZ2-CB 4.2Å; W10-D205 WeakPolarHBondContact CZ2-O 3.44Å; W10-P269 HydrophobicContact CZ2-CG 4.15Å
11V80.8Confident69.3Low2 Ų284.9 Ų84.91%0.01243%0.43CS..  trans-85.5103.1170.4-176.70000109.1P9 A13 D16 P269 L293 A295P9-V11 VanDerWaalsContact C-N 3.35Å; V11-A13 WeakPolarHBondContact CG1-O 3.33Å; V11-D16 HydrophobicContact CG1-CB 4.43Å; V11-P269 HydrophobicContact CG2-CB 4.16Å; V11-P269 HydrophobicContact CG2-CG 3.73Å; V11-L293 HydrophobicContact CG1-CD1 4.5Å; V11-L293 HydrophobicContact CG1-CD2 3.83Å; V11-A295 HydrophobicContact CB-CB 4.44Å; V11-A295 HydrophobicContact CG1-CB 4.32Å
12K73.7Confident71.7Confident127 Ų12781.2 Ų81.255%0.55241%0.409SS*.SBendtrans-110.1-12.2174.2-62.7-179.9-177.5176.60112.3P9 W10 D16 L299P9-K12 WeakPolarHBondContact O-CE 3.5Å; W10-K12 PolarHBondContact O-N 2.7Å; K12-D16 PolarHBondContact N-OD2 2.89Å; K12-L299 WeakPolarHBondContact O-CD2 3.49Å
13A74Confident74.3Confident20 Ų2072.6 Ų72.617%0.16537%0.369CS..SBendtrans-145.5156.917000000109.8V11 E15 D16V11-A13 WeakPolarHBondContact CG1-O 3.33Å; A13-E15 PolarHBondContact O-N 3.19Å; A13-E15 VanDerWaalsContact O-N 3.15Å; A13-D16 PolarHBondContact N-OD2 3.36Å; A13-D16 WeakPolarHBondContact O-CB 3.13Å; A13-D16 PolarHBondContact O-N 3.47Å
14R79.4Confident76.9Confident5 Ų567.9 Ų67.92%0.01934%0.338CS..G310 helixtrans-55.9-30.5173.9-90.7-170.6171.7-115.32.8113.3D16 I17 G230 G287 R288 K289 V290 G291 L293 L299R14-D16 PolarHBondContact O-N 3.26Å; R14-I17 WeakPolarHBondContact O-CB 3.4Å; R14-I17 VanDerWaalsContact O-CG1 3.24Å; R14-I17 WeakPolarHBondContact O-CG1 3.48Å; R14-I17 PolarHBondContact O-N 2.96Å; R14-I17 VanDerWaalsContact O-N 3.14Å; R14-G230 PolarHBondContact NE-O 2.87Å; R14-G230 PolarHBondContact NH2-O 3.25Å; R14-G287 WeakPolarHBondContact CB-O 3.08Å; R14-R288 PolarHBondContact NH1-O 2.9Å; R14-K289 VanDerWaalsContact NH1-CA 3.34Å; R14-V290 PolarHBondContact NH1-O 3.05Å; R14-V290 PolarHBondContact NH2-O 3.45Å; R14-G291 PolarHBondContact NH2-O 3.26Å; R14-L293 HydrophobicContact CG-CB 4.46Å; R14-L293 HydrophobicContact CG-CD2 3.67Å; R14-L299 HydrophobicContact CG-CD1 4.41Å
15E76.7Confident79.4Confident92 Ų9265.6 Ų65.643%0.4332%0.319SS..G310 helixtrans-63.5-25.5177-67.8177.5176.700113.3A13 I17 K18A13-E15 PolarHBondContact O-N 3.19Å; A13-E15 VanDerWaalsContact O-N 3.15Å; E15-I17 PolarHBondContact O-N 2.87Å; E15-K18 VanDerWaalsContact O-CB 3.31Å; E15-K18 WeakPolarHBondContact O-CB 3.14Å; E15-K18 WeakPolarHBondContact O-CG 3.45Å; E15-K18 PolarHBondContact O-N 3.02Å; E15-K18 VanDerWaalsContact O-N 3.13Å
16D85.5Confident81.8Confident22 Ų2261.5 Ų61.512%0.11828%0.284CS..G310 helixtrans-61.7-27.6176.5-69.1-44.9000111.1W10 V11 K12 A13 R14 K18 K19W10-D16 HydrophobicContact CE3-CB 4.19Å; W10-D16 WeakPolarHBondContact CH2-O 3.21Å; W10-D16 HydrophobicContact CZ3-CB 3.83Å; W10-D16 WeakPolarHBondContact CZ3-O 3.34Å; V11-D16 HydrophobicContact CG1-CB 4.43Å; K12-D16 PolarHBondContact N-OD2 2.89Å; A13-D16 PolarHBondContact N-OD2 3.36Å; A13-D16 WeakPolarHBondContact O-CB 3.13Å; A13-D16 PolarHBondContact O-N 3.47Å; R14-D16 PolarHBondContact O-N 3.26Å; D16-K18 PolarHBondContact O-N 3.45Å; D16-K19 VanDerWaalsContact O-CB 3.3Å; D16-K19 WeakPolarHBondContact O-CB 3.23Å; D16-K19 PolarHBondContact O-N 3.25Å; D16-K19 IonicContact OD1-NZ 3.05Å; D16-K19 PolarHBondContact OD1-NZ 3.48Å
17I88.3Confident83.9Confident0 Ų051.4 Ų51.40%024%0.24CC..G310 helixtrans-50.9-32.1175.5-64.3174.5000112.1R14 E15 K19 A20 L206 V271 I284 M285 L293R14-I17 WeakPolarHBondContact O-CB 3.4Å; R14-I17 VanDerWaalsContact O-CG1 3.24Å; R14-I17 WeakPolarHBondContact O-CG1 3.48Å; R14-I17 PolarHBondContact O-N 2.96Å; R14-I17 VanDerWaalsContact O-N 3.14Å; E15-I17 PolarHBondContact O-N 2.87Å; I17-K19 PolarHBondContact O-N 3.31Å; I17-K19 VanDerWaalsContact O-N 3.07Å; I17-A20 VanDerWaalsContact O-CB 3.25Å; I17-A20 WeakPolarHBondContact O-CB 3.42Å; I17-A20 PolarHBondContact O-N 3.46Å; I17-L206 HydrophobicContact CG2-CD2 3.66Å; I17-V271 HydrophobicContact CD1-CG2 4.23Å; I17-I284 HydrophobicContact CD1-CG2 4.4Å; I17-I284 HydrophobicContact CG2-CG2 4.32Å; I17-M285 HydrophobicContact CG2-CE 4.44Å; I17-M285 HydrophobicContact CG2-SD 3.91Å; I17-L293 HydrophobicContact CD1-CD1 4.02Å; I17-L293 HydrophobicContact CD1-CD2 4.24Å
18K87.5Confident85.6Confident104 Ų10447.5 Ų47.545%0.45222%0.218SC..G310 helixtrans-56.5-25.2176.1-68.7170.9-179.5170.20113.4E15 D16 M285 A286E15-K18 VanDerWaalsContact O-CB 3.31Å; E15-K18 WeakPolarHBondContact O-CB 3.14Å; E15-K18 WeakPolarHBondContact O-CG 3.45Å; E15-K18 PolarHBondContact O-N 3.02Å; E15-K18 VanDerWaalsContact O-N 3.13Å; D16-K18 PolarHBondContact O-N 3.45Å; K18-M285 WeakPolarHBondContact CG-O 3.48Å; K18-A286 WeakPolarHBondContact CE-O 3.41Å; K18-A286 PolarHBondContact NZ-O 2.9Å
19K89Confident86.6Confident141 Ų14142.2 Ų42.261%0.61320%0.198SC*.G310 helixtrans-84.1-10.9-179.2-56.8167.9-177.5161.10112.8W10 D16 I17 K21W10-K19 HydrophobicContact CZ3-CB 4.08Å; D16-K19 VanDerWaalsContact O-CB 3.3Å; D16-K19 WeakPolarHBondContact O-CB 3.23Å; D16-K19 PolarHBondContact O-N 3.25Å; D16-K19 IonicContact OD1-NZ 3.05Å; D16-K19 PolarHBondContact OD1-NZ 3.48Å; I17-K19 PolarHBondContact O-N 3.31Å; I17-K19 VanDerWaalsContact O-N 3.07Å; K19-K21 PolarHBondContact O-N 2.88Å
20A93Very high87.4Confident0 Ų042.3 Ų42.30%020%0.202CC..  trans-64.5122.1179.900000110.4W10 I17 I23 H60 D205 L206 M285W10-A20 HydrophobicContact CH2-CB 4.09Å; W10-A20 HydrophobicContact CZ2-CB 4.38Å; I17-A20 VanDerWaalsContact O-CB 3.25Å; I17-A20 WeakPolarHBondContact O-CB 3.42Å; I17-A20 PolarHBondContact O-N 3.46Å; A20-I23 HydrophobicContact CB-CG1 4.39Å; A20-H60 PolarHBondContact O-CE1 2.88Å; A20-H60 VanDerWaalsContact O-CE1 3.25Å; A20-H60 PolarHBondContact O-ND1 3.14Å; A20-D205 HydrophobicContact CB-CB 3.77Å; A20-L206 HydrophobicContact CB-CB 4.01Å; A20-L206 HydrophobicContact CB-CD2 4.49Å; A20-M285 HydrophobicContact CB-CE 4.34Å
21K93.8Very high87.8Confident149 Ų14938.2 Ų38.265%0.64819%0.187SC*.  trans-95.8-48.8178.7-68.1-175.3178.3-177.60111K19 H60 E61 D205K19-K21 PolarHBondContact O-N 2.88Å; K21-H60 CarbonylContact O-C 3.25Å; K21-H60 WeakPolarHBondContact O-CA 3.41Å; K21-E61 PolarHBondContact O-N 3.24Å; K21-D205 WeakPolarHBondContact CA-OD2 3.45Å; K21-D205 PolarHBondContact N-OD2 3.3Å
22R96.8Very high88.1Confident41 Ų4138.2 Ų38.216%0.15519%0.186CC..EExtended strand (participates in β ladder)trans-101.3117-178-175.3173-72.6-160.1-10.6111E61 D163 I202 A204 D205 L206R22-E61 CarbonylContact C-O 3.43Å; R22-E61 WeakPolarHBondContact CA-O 3.45Å; R22-E61 HydrophobicContact CB-CB 4.32Å; R22-E61 HydrophobicContact CG-CB 4.37Å; R22-E61 IonicContact CZ-OE2 3.89Å; R22-E61 IonicContact NE-OE2 3.21Å; R22-E61 PolarHBondContact NE-OE2 3.05Å; R22-E61 IonicContact NH2-OE2 3.96Å; R22-E61 PolarHBondContact NH2-OE2 3.41Å; R22-D163 IonicContact CZ-OD1 3.41Å; R22-D163 VanDerWaalsContact CZ-OD1 3.24Å; R22-D163 IonicContact NH1-OD1 2.76Å; R22-D163 PolarHBondContact NH1-OD1 3.29Å; R22-D163 IonicContact NH2-OD1 3.24Å; R22-D163 PolarHBondContact NH2-OD1 3.36Å; R22-I202 WeakPolarHBondContact CD-O 3.03Å; R22-I202 HydrophobicContact CG-CD1 4.44Å; R22-I202 PolarHBondContact NH1-O 3.04Å; R22-I202 VanDerWaalsContact NH1-O 3.08Å; R22-A204 HydrophobicContact CG-CB 4.32Å; R22-D205 PolarHBondContact N-OD2 2.75Å; R22-D205 PolarHBondContact O-N 2.93Å; R22-L206 PolarHBondContact O-N 2.87Å
23I97.6Very high88.5Confident0 Ų033.3 Ų33.30%017%0.169CC..EExtended strand (participates in β ladder)trans-126.5128.2-169.1-51.5165000109.6A20 I25 L55 H60 E61 V62 I63 L206 L208 M285A20-I23 HydrophobicContact CB-CG1 4.39Å; I23-I25 HydrophobicContact CG2-CD1 4.45Å; I23-I25 HydrophobicContact CG2-CG1 3.9Å; I23-L55 HydrophobicContact CD1-CD1 4.26Å; I23-H60 HydrophobicContact CD1-CB 4.1Å; I23-E61 PolarHBondContact N-O 2.85Å; I23-V62 WeakPolarHBondContact O-CA 3.29Å; I23-I63 PolarHBondContact O-N 3.23Å; I23-L206 WeakPolarHBondContact CA-O 3.47Å; I23-L206 HydrophobicContact CG2-CB 4.49Å; I23-L208 HydrophobicContact CG2-CD1 4.07Å; I23-L208 HydrophobicContact CG2-CG 4.02Å; I23-M285 HydrophobicContact CD1-CE 3.48Å; I23-M285 VanDerWaalsContact CD1-CE 3.48Å; I23-M285 HydrophobicContact CD1-SD 3.63Å
24V98.2Very high88.8Confident0 Ų038.4 Ų38.40%019%0.185CC..EExtended strand (participates in β ladder)trans-99.4124.9169.3178.50000108.8I63 V65 A195 L198 S199 I202 A204 L206 L207 L208V24-I63 CarbonylContact C-O 3.6Å; V24-I63 WeakPolarHBondContact CA-O 3.44Å; V24-I63 HydrophobicContact CG2-CB 4.47Å; V24-V65 HydrophobicContact CG1-CG2 3.87Å; V24-A195 HydrophobicContact CG1-CB 4.47Å; V24-L198 HydrophobicContact CG1-CD2 4.28Å; V24-S199 WeakPolarHBondContact CB-OG 3.5Å; V24-S199 WeakPolarHBondContact CG2-OG 3.23Å; V24-I202 HydrophobicContact CG2-CD1 3.59Å; V24-A204 HydrophobicContact CG2-CB 3.84Å; V24-L206 PolarHBondContact N-O 2.86Å; V24-L207 HydrophobicContact CB-CD1 4.06Å; V24-L207 HydrophobicContact CG1-CD1 3.86Å; V24-L207 CarbonylContact O-C 3.57Å; V24-L207 WeakPolarHBondContact O-CA 3.05Å; V24-L208 PolarHBondContact O-N 2.89Å
25I98Very high88.6Confident0 Ų046.2 Ų46.20%022%0.221CC..EExtended strand (participates in β ladder)trans-113.9108.7179.1-53.9-177.4000108.8I23 I27 I52 V62 I63 I64 V65 L208 L210 I281I23-I25 HydrophobicContact CG2-CD1 4.45Å; I23-I25 HydrophobicContact CG2-CG1 3.9Å; I25-I27 HydrophobicContact CG2-CG1 4.25Å; I25-I52 HydrophobicContact CD1-CD1 4.02Å; I25-I52 HydrophobicContact CD1-CG1 3.79Å; I25-I52 HydrophobicContact CG2-CD1 4.49Å; I25-V62 HydrophobicContact CD1-CG1 3.61Å; I25-V62 HydrophobicContact CG1-CG1 3.99Å; I25-I63 PolarHBondContact N-O 2.98Å; I25-I64 CarbonylContact O-C 3.48Å; I25-I64 WeakPolarHBondContact O-CA 3.32Å; I25-V65 PolarHBondContact O-N 3.03Å; I25-L208 CarbonylContact C-O 3.52Å; I25-L208 WeakPolarHBondContact CA-O 3.45Å; I25-L208 HydrophobicContact CD1-CD1 4.31Å; I25-L208 HydrophobicContact CG1-CB 4.25Å; I25-L208 HydrophobicContact CG1-CD1 4.2Å; I25-L208 HydrophobicContact CG2-CB 4.43Å; I25-L210 HydrophobicContact CG2-CD1 3.93Å; I25-L210 HydrophobicContact CG2-CG 4.02Å; I25-I281 HydrophobicContact CD1-CD1 4.19Å; I25-I281 HydrophobicContact CD1-CG2 4.26Å
26K95.5Very high88.2Confident7 Ų745.4 Ų45.43%0.0322%0.22CC..EExtended strand (participates in β ladder)trans-88125172.9-174.5-95.3172.51630110.2V65 D192 A195 L208 T209 L210K26-V65 CarbonylContact C-O 3.49Å; K26-V65 VanDerWaalsContact CA-O 3.3Å; K26-V65 WeakPolarHBondContact CA-O 3.38Å; K26-V65 HydrophobicContact CB-CB 4.22Å; K26-V65 HydrophobicContact CG-CB 4.2Å; K26-V65 HydrophobicContact CG-CG1 4.2Å; K26-D192 WeakPolarHBondContact CD-OD1 3.39Å; K26-D192 WeakPolarHBondContact CE-OD1 3.39Å; K26-D192 IonicContact NZ-OD1 3.59Å; K26-D192 PolarHBondContact NZ-OD1 3.23Å; K26-D192 IonicContact NZ-OD2 2.65Å; K26-A195 HydrophobicContact CB-CB 3.76Å; K26-A195 HydrophobicContact CG-CB 3.96Å; K26-L208 PolarHBondContact N-O 2.83Å; K26-T209 HydrophobicContact CD-CG2 4.11Å; K26-L210 WeakPolarHBondContact O-CB 3.33Å; K26-L210 PolarHBondContact O-N 3.19Å
27I94Very high87.1Confident0 Ų049.7 Ų49.70%024%0.239CC..EExtended strand (participates in β ladder)trans-108.1109.6-179.9-54177.9000108.9I25 V31 I32 I48 I64 V65 S67 Y128 L210I25-I27 HydrophobicContact CG2-CG1 4.25Å; I27-V31 HydrophobicContact CG2-CB 4.31Å; I27-V31 HydrophobicContact CG2-CG1 4.38Å; I27-I32 HydrophobicContact CG2-CG2 3.42Å; I27-I32 VanDerWaalsContact CG2-CG2 3.42Å; I27-I48 HydrophobicContact CD1-CG2 3.9Å; I27-I64 HydrophobicContact CD1-CG2 3.72Å; I27-I64 HydrophobicContact CG1-CG2 4.19Å; I27-V65 PolarHBondContact N-O 3.1Å; I27-S67 WeakPolarHBondContact O-CB 3.41Å; I27-S67 PolarHBondContact O-N 3.45Å; I27-S67 PolarHBondContact O-OG 3.27Å; I27-Y128 HydrophobicContact CD1-CE1 4.44Å; I27-L210 HydrophobicContact CG1-CD1 4.32Å
28G88.3Confident86Confident5 Ų555.3 Ų55.35%0.05227%0.265CS..  trans-68.1150.418000000113.8A30 V31 I32 L210G28-A30 VanDerWaalsContact C-N 3.28Å; G28-A30 PolarHBondContact O-N 3.26Å; G28-V31 WeakPolarHBondContact O-CB 3.48Å; G28-V31 PolarHBondContact O-N 3.24Å; G28-I32 PolarHBondContact O-N 2.88Å; G28-L210 PolarHBondContact N-O 3.41Å
29S83.2Confident85.3Confident43 Ų4350.9 Ų50.930%0.30125%0.249SC..Hα-helixtrans-55.6-42.2-179.9-530000112.3V31 I32 A33 S67 G68S29-V31 PolarHBondContact O-N 2.81Å; S29-I32 PolarHBondContact O-N 3.37Å; S29-A33 WeakPolarHBondContact O-CB 3.41Å; S29-A33 PolarHBondContact O-N 2.82Å; S29-S67 VanDerWaalsContact OG-CB 3.22Å; S29-S67 WeakPolarHBondContact OG-CB 3.46Å; S29-G68 PolarHBondContact OG-N 3.14Å; S29-G68 VanDerWaalsContact OG-N 3.07Å
30A83.5Confident85Confident45 Ų4545.3 Ų45.337%0.37223%0.226SC..Hα-helixtrans-69.2-15.7179.500000113.9G28 N212G28-A30 VanDerWaalsContact C-N 3.28Å; G28-A30 PolarHBondContact O-N 3.26Å; A30-N212 HydrophobicContact CB-CB 4.02Å
31V87Confident84.7Confident0 Ų046 Ų460%023%0.232CC..Hα-helixtrans-78.1-48.2173.6-177.70000109I27 G28 S29 R44 I48 L210 S211I27-V31 HydrophobicContact CG2-CB 4.31Å; I27-V31 HydrophobicContact CG2-CG1 4.38Å; G28-V31 WeakPolarHBondContact O-CB 3.48Å; G28-V31 PolarHBondContact O-N 3.24Å; S29-V31 PolarHBondContact O-N 2.81Å; V31-R44 WeakPolarHBondContact O-CD 3.25Å; V31-R44 PolarHBondContact O-NH1 3.46Å; V31-I48 HydrophobicContact CG1-CD1 3.55Å; V31-L210 HydrophobicContact CG2-CB 4.44Å; V31-L210 WeakPolarHBondContact CG2-O 3.22Å; V31-S211 WeakPolarHBondContact CG2-O 3.49Å
32I86.3Confident84.4Confident1 Ų143.9 Ų43.91%0.00523%0.227CC..Hα-helixtrans-90.7-6.5-176.660.1171.5000114I27 G28 S29 L40 A41 L45 S67 L124I27-I32 HydrophobicContact CG2-CG2 3.42Å; I27-I32 VanDerWaalsContact CG2-CG2 3.42Å; G28-I32 PolarHBondContact O-N 2.88Å; S29-I32 PolarHBondContact O-N 3.37Å; I32-L40 HydrophobicContact CB-CD2 4.41Å; I32-L40 HydrophobicContact CD1-CD2 4.18Å; I32-L40 HydrophobicContact CG1-CD2 4.34Å; I32-L40 CarbonylContact O-C 3.56Å; I32-L40 VanDerWaalsContact O-CA 3.25Å; I32-L40 WeakPolarHBondContact O-CA 3.33Å; I32-A41 PolarHBondContact O-N 2.71Å; I32-L45 HydrophobicContact CG2-CD1 3.9Å; I32-S67 VanDerWaalsContact CD1-O 3.29Å; I32-S67 WeakPolarHBondContact CD1-O 3.34Å; I32-L124 HydrophobicContact CD1-CD2 3.75Å
33A83.3Confident84Confident24 Ų2444.8 Ų44.820%0.19825%0.249CC..BIsolated β-bridgetrans-83.5147.9173.500000112.1S29 G39 R44S29-A33 WeakPolarHBondContact O-CB 3.41Å; S29-A33 PolarHBondContact O-N 2.82Å; A33-G39 CarbonylContact C-O 3.52Å; A33-G39 WeakPolarHBondContact CA-O 3.44Å; A33-R44 PolarHBondContact O-NH1 2.85Å
34R81.2Confident83.6Confident128 Ų12847.4 Ų47.448%0.48326%0.259SS..  trans-69.6161.3165.6-71.2168.554.8143.42.6110.9D36 E37 G39 A41R34-D36 VanDerWaalsContact C-N 3.34Å; R34-D36 WeakPolarHBondContact CB-OD1 3.48Å; R34-D36 IonicContact CZ-OD1 3.36Å; R34-D36 IonicContact CZ-OD2 2.89Å; R34-D36 VanDerWaalsContact CZ-OD2 3.26Å; R34-D36 IonicContact NE-OD1 3.72Å; R34-D36 PolarHBondContact NE-OD1 3.48Å; R34-D36 IonicContact NE-OD2 2.77Å; R34-D36 PolarHBondContact NE-OD2 3.31Å; R34-D36 IonicContact NH2-OD1 3.89Å; R34-D36 IonicContact NH2-OD2 3.69Å; R34-D36 PolarHBondContact NH2-OD2 2.92Å; R34-E37 PolarHBondContact O-N 3.25Å; R34-E37 VanDerWaalsContact O-N 3.1Å; R34-G39 PolarHBondContact N-O 3.38Å; R34-A41 HydrophobicContact CG-CB 4.35Å
35E73.3Confident83.3Confident168 Ų16847.4 Ų47.479%0.78526%0.259SS*.THydrogen-bonded Turntrans-71-28.6-179.4-64.2-174.7167.200113.5E37E35-E37 PolarHBondContact O-N 3.15Å
36D68.7Low83.1Confident76 Ų7649 Ų4941%0.40627%0.272SS..THydrogen-bonded Turntrans-74.4-1.417158.13.8000112.9R34 E38R34-D36 VanDerWaalsContact C-N 3.34Å; R34-D36 WeakPolarHBondContact CB-OD1 3.48Å; R34-D36 IonicContact CZ-OD1 3.36Å; R34-D36 IonicContact CZ-OD2 2.89Å; R34-D36 VanDerWaalsContact CZ-OD2 3.26Å; R34-D36 IonicContact NE-OD1 3.72Å; R34-D36 PolarHBondContact NE-OD1 3.48Å; R34-D36 IonicContact NE-OD2 2.77Å; R34-D36 PolarHBondContact NE-OD2 3.31Å; R34-D36 IonicContact NH2-OD1 3.89Å; R34-D36 IonicContact NH2-OD2 3.69Å; R34-D36 PolarHBondContact NH2-OD2 2.92Å; D36-E38 WeakPolarHBondContact O-CG 3.27Å; D36-E38 PolarHBondContact O-N 3.38Å; D36-E38 PolarHBondContact OD1-N 3.37Å
37E62.8Low83.1Confident111 Ų11150.5 Ų50.552%0.51928%0.284SS..SBendtrans61.46.1-177.8-52.6-175.3164.100114.2R34 E35 G39 F248R34-E37 PolarHBondContact O-N 3.25Å; R34-E37 VanDerWaalsContact O-N 3.1Å; E35-E37 PolarHBondContact O-N 3.15Å; E37-G39 PolarHBondContact O-N 3.37Å; E37-F248 WeakPolarHBondContact OE1-CD2 3.29Å; E37-F248 WeakPolarHBondContact OE1-CE2 3.45Å; E37-F248 WeakPolarHBondContact OE2-CE2 3.29Å; E37-F248 WeakPolarHBondContact OE2-CZ 3.38Å
38E65.8Low83.2Confident118 Ų11850.6 Ų50.655%0.55128%0.284SS*.SBendtrans-95.626-175-63.3-156161.900113.5D36 K75D36-E38 WeakPolarHBondContact O-CG 3.27Å; D36-E38 PolarHBondContact O-N 3.38Å; D36-E38 PolarHBondContact OD1-N 3.37Å; E38-K75 WeakPolarHBondContact O-CD 3.45Å; E38-K75 VanDerWaalsContact O-CE 3.24Å; E38-K75 WeakPolarHBondContact O-CE 3.5Å; E38-K75 PolarHBondContact O-NZ 3.24Å
39G72.6Confident83.5Confident11 Ų1150.3 Ų50.311%0.11328%0.281CS..SBendtrans152.5-163.6171.700000115.7A33 R34 E37A33-G39 CarbonylContact C-O 3.52Å; A33-G39 WeakPolarHBondContact CA-O 3.44Å; R34-G39 PolarHBondContact N-O 3.38Å; E37-G39 PolarHBondContact O-N 3.37Å
40L81.4Confident84.2Confident25 Ų2553 Ų5313%0.13129%0.289CS..BIsolated β-bridgetrans-86134.1-177.2-62.1171.1000112I32 L42 F72 L124 A127I32-L40 HydrophobicContact CB-CD2 4.41Å; I32-L40 HydrophobicContact CD1-CD2 4.18Å; I32-L40 HydrophobicContact CG1-CD2 4.34Å; I32-L40 CarbonylContact O-C 3.56Å; I32-L40 VanDerWaalsContact O-CA 3.25Å; I32-L40 WeakPolarHBondContact O-CA 3.33Å; L40-L42 VanDerWaalsContact C-N 3.26Å; L40-L42 HydrophobicContact CB-CD2 4.31Å; L40-L42 PolarHBondContact O-N 3.04Å; L40-F72 HydrophobicContact CD1-CD2 3.93Å; L40-F72 HydrophobicContact CD1-CE2 3.84Å; L40-F72 HydrophobicContact CD1-CZ 4.41Å; L40-F72 HydrophobicContact CD2-CD2 4.17Å; L40-F72 HydrophobicContact CG-CD2 3.61Å; L40-F72 HydrophobicContact CG-CE2 3.84Å; L40-F72 HydrophobicContact CG-CG 4.41Å; L40-L124 HydrophobicContact CD1-CD2 3.9Å; L40-L124 HydrophobicContact CD2-CD2 3.49Å; L40-L124 VanDerWaalsContact CD2-CD2 3.49Å; L40-L124 HydrophobicContact CG-CD2 4.33Å; L40-A127 HydrophobicContact CD1-CB 4.11Å
41A88Confident84.8Confident15 Ų1551 Ų5112%0.12427%0.272CS..  trans-78.776.216800000109I32 R34 G43 R44 L45I32-A41 PolarHBondContact O-N 2.71Å; R34-A41 HydrophobicContact CG-CB 4.35Å; A41-G43 VanDerWaalsContact C-N 3.28Å; A41-G43 PolarHBondContact O-N 2.95Å; A41-R44 HydrophobicContact CB-CB 4.16Å; A41-R44 PolarHBondContact O-N 3.43Å; A41-L45 PolarHBondContact O-N 2.98Å
42L86.4Confident85.3Confident103 Ų10351 Ų5154%0.53927%0.272SS..Hα-helixtrans-53.9-40.3-173.5-71.5175.3000113.4L40 R44 L45 A46L40-L42 VanDerWaalsContact C-N 3.26Å; L40-L42 HydrophobicContact CB-CD2 4.31Å; L40-L42 PolarHBondContact O-N 3.04Å; L42-R44 VanDerWaalsContact C-N 3.31Å; L42-R44 PolarHBondContact O-N 3.46Å; L42-L45 PolarHBondContact O-N 3.25Å; L42-A46 VanDerWaalsContact O-CB 3.27Å; L42-A46 WeakPolarHBondContact O-CB 3.05Å; L42-A46 PolarHBondContact O-N 2.93Å
43G88.7Confident85.8Confident60 Ų6051 Ų5162%0.61927%0.272SS*.Hα-helixtrans-61.9-37.9177.200000113.1A41 S47A41-G43 VanDerWaalsContact C-N 3.28Å; A41-G43 PolarHBondContact O-N 2.95Å; G43-S47 WeakPolarHBondContact O-CB 3.38Å; G43-S47 PolarHBondContact O-N 3.37Å
44R90.1Very high86.4Confident56 Ų5653.9 Ų53.921%0.21128%0.281CS..Hα-helixtrans-73.9-39.9177.4-159.2-177.9-57.1138.21.2111.6V31 A33 A41 L42 S47 I48V31-R44 WeakPolarHBondContact O-CD 3.25Å; V31-R44 PolarHBondContact O-NH1 3.46Å; A33-R44 PolarHBondContact O-NH1 2.85Å; A41-R44 HydrophobicContact CB-CB 4.16Å; A41-R44 PolarHBondContact O-N 3.43Å; L42-R44 VanDerWaalsContact C-N 3.31Å; L42-R44 PolarHBondContact O-N 3.46Å; R44-S47 PolarHBondContact O-N 3.39Å; R44-I48 WeakPolarHBondContact O-CG1 3.2Å; R44-I48 PolarHBondContact O-N 3.31Å
45L92.1Very high87Confident0 Ų048.1 Ų48.10%026%0.26CS..Hα-helixtrans-61-45.5173.4-178.861.4000111.1I32 A41 L42 I48 I49 A127 Y128 L131I32-L45 HydrophobicContact CG2-CD1 3.9Å; A41-L45 PolarHBondContact O-N 2.98Å; L42-L45 PolarHBondContact O-N 3.25Å; L45-I48 PolarHBondContact O-N 2.72Å; L45-I49 HydrophobicContact CD1-CD1 3.94Å; L45-I49 HydrophobicContact CD1-CG1 4.34Å; L45-I49 HydrophobicContact CG-CD1 3.84Å; L45-I49 WeakPolarHBondContact O-CB 3.26Å; L45-I49 VanDerWaalsContact O-CG1 3.28Å; L45-I49 WeakPolarHBondContact O-CG1 3.41Å; L45-I49 PolarHBondContact O-N 3.49Å; L45-A127 HydrophobicContact CD2-CB 4.24Å; L45-Y128 HydrophobicContact CD1-CD1 4.23Å; L45-Y128 HydrophobicContact CD1-CE1 3.59Å; L45-L131 HydrophobicContact CB-CD1 4.37Å; L45-L131 HydrophobicContact CD2-CD1 3.69Å; L45-L131 HydrophobicContact CG-CD1 3.72Å
46A93.6Very high88Confident32 Ų3241.4 Ų41.426%0.26423%0.229SC..Hα-helixtrans-60.4-46.6176.800000111.7L42 I48 I49 E50 L131L42-A46 VanDerWaalsContact O-CB 3.27Å; L42-A46 WeakPolarHBondContact O-CB 3.05Å; L42-A46 PolarHBondContact O-N 2.93Å; A46-I48 VanDerWaalsContact C-N 3.33Å; A46-I48 PolarHBondContact O-N 2.9Å; A46-I49 PolarHBondContact O-N 3.03Å; A46-E50 WeakPolarHBondContact O-CB 3.49Å; A46-E50 PolarHBondContact O-N 3.47Å; A46-L131 HydrophobicContact CB-CD2 4.17Å
47S94.1Very high89.1Confident40 Ų4043.2 Ų43.228%0.2824%0.238SC..Hα-helixtrans-61.2-38.3176.51770000113.1G43 R44 Q51G43-S47 WeakPolarHBondContact O-CB 3.38Å; G43-S47 PolarHBondContact O-N 3.37Å; R44-S47 PolarHBondContact O-N 3.39Å; S47-Q51 WeakPolarHBondContact O-CG 3.43Å; S47-Q51 PolarHBondContact O-N 3.41Å; S47-Q51 PolarHBondContact O-NE2 3.29Å; S47-Q51 PolarHBondContact OG-NE2 2.58Å
48I95.9Very high90.4Very high1 Ų144.1 Ų44.11%0.00524%0.242CC..Hα-helixtrans-67.1-43.7174.7-73167.7000110.6I27 V31 R44 L45 A46 Q51 I52 L210 I281I27-I48 HydrophobicContact CD1-CG2 3.9Å; V31-I48 HydrophobicContact CG1-CD1 3.55Å; R44-I48 WeakPolarHBondContact O-CG1 3.2Å; R44-I48 PolarHBondContact O-N 3.31Å; L45-I48 PolarHBondContact O-N 2.72Å; A46-I48 VanDerWaalsContact C-N 3.33Å; A46-I48 PolarHBondContact O-N 2.9Å; I48-Q51 PolarHBondContact O-N 3.36Å; I48-I52 HydrophobicContact CG2-CD1 3.75Å; I48-I52 HydrophobicContact CG2-CG1 4.39Å; I48-I52 VanDerWaalsContact O-CG1 3.31Å; I48-I52 WeakPolarHBondContact O-CG1 3.34Å; I48-I52 PolarHBondContact O-N 2.67Å; I48-L210 HydrophobicContact CD1-CD1 4.03Å; I48-L210 HydrophobicContact CG1-CD1 4.29Å; I48-L210 HydrophobicContact CG2-CD1 4.21Å; I48-I281 HydrophobicContact CG2-CD1 3.99Å
49I96.3Very high91.6Very high0 Ų041.4 Ų41.40%025%0.246CC..Hα-helixtrans-64.5-40.5180-74.5173.4000111.2L45 A46 Q51 I52 S53 Y128 L131 F132 Y135L45-I49 HydrophobicContact CD1-CD1 3.94Å; L45-I49 HydrophobicContact CD1-CG1 4.34Å; L45-I49 HydrophobicContact CG-CD1 3.84Å; L45-I49 WeakPolarHBondContact O-CB 3.26Å; L45-I49 VanDerWaalsContact O-CG1 3.28Å; L45-I49 WeakPolarHBondContact O-CG1 3.41Å; L45-I49 PolarHBondContact O-N 3.49Å; A46-I49 PolarHBondContact O-N 3.03Å; I49-Q51 PolarHBondContact O-N 2.94Å; I49-I52 PolarHBondContact O-N 2.88Å; I49-S53 VanDerWaalsContact O-CB 3.29Å; I49-S53 WeakPolarHBondContact O-CB 3.47Å; I49-S53 PolarHBondContact O-N 2.97Å; I49-S53 PolarHBondContact O-OG 3.35Å; I49-Y128 HydrophobicContact CD1-CD1 3.76Å; I49-Y128 HydrophobicContact CD1-CE1 4.23Å; I49-Y128 HydrophobicContact CG1-CD1 4.39Å; I49-L131 HydrophobicContact CD1-CB 3.5Å; I49-L131 VanDerWaalsContact CD1-CB 3.5Å; I49-L131 HydrophobicContact CD1-CD1 3.61Å; I49-L131 HydrophobicContact CD1-CG 4.19Å; I49-L131 HydrophobicContact CG2-CB 4.21Å; I49-F132 HydrophobicContact CB-CE1 4.41Å; I49-F132 HydrophobicContact CB-CE2 4.5Å; I49-F132 HydrophobicContact CB-CZ 4.25Å; I49-F132 HydrophobicContact CD1-CD2 4.12Å; I49-F132 HydrophobicContact CD1-CE2 4Å; I49-F132 HydrophobicContact CG1-CD2 4.25Å; I49-F132 HydrophobicContact CG1-CE1 4.47Å; I49-F132 HydrophobicContact CG1-CE2 3.74Å; I49-F132 HydrophobicContact CG1-CZ 3.84Å; I49-F132 HydrophobicContact CG2-CD1 3.69Å; I49-F132 HydrophobicContact CG2-CD2 4.15Å; I49-F132 HydrophobicContact CG2-CE1 3.69Å; I49-F132 HydrophobicContact CG2-CE2 4.18Å; I49-F132 HydrophobicContact CG2-CG 3.92Å; I49-F132 HydrophobicContact CG2-CZ 3.94Å; I49-Y135 HydrophobicContact CG2-CD2 4.2Å; I49-Y135 HydrophobicContact CG2-CE2 4.16Å
50E96.4Very high92.7Very high100 Ų10042.6 Ų42.647%0.46725%0.248SC..Hα-helixtrans-54.7-51.3173.5-177169.9-157.800111.5A46 I52 S53 E54 Y135A46-E50 WeakPolarHBondContact O-CB 3.49Å; A46-E50 PolarHBondContact O-N 3.47Å; E50-I52 PolarHBondContact O-N 2.93Å; E50-S53 WeakPolarHBondContact O-CB 3.35Å; E50-S53 PolarHBondContact O-N 3.35Å; E50-E54 PolarHBondContact O-N 3.11Å; E50-Y135 VanDerWaalsContact CB-OH 3.3Å; E50-Y135 WeakPolarHBondContact CB-OH 3.47Å; E50-Y135 HydrophobicContact CG-CE1 4.2Å; E50-Y135 WeakPolarHBondContact CG-OH 3.29Å
51Q97.1Very high93.4Very high3 Ų344.7 Ų44.71%0.01426%0.257CS..Hα-helixtrans-62-41177.5-66.5169.367.300112.5S47 I48 I49 S53 E54 L55 N279 I281 L282S47-Q51 WeakPolarHBondContact O-CG 3.43Å; S47-Q51 PolarHBondContact O-N 3.41Å; S47-Q51 PolarHBondContact O-NE2 3.29Å; S47-Q51 PolarHBondContact OG-NE2 2.58Å; I48-Q51 PolarHBondContact O-N 3.36Å; I49-Q51 PolarHBondContact O-N 2.94Å; Q51-S53 VanDerWaalsContact C-N 3.32Å; Q51-E54 PolarHBondContact O-N 3.48Å; Q51-L55 WeakPolarHBondContact O-CG 3.48Å; Q51-L55 PolarHBondContact O-N 3.15Å; Q51-N279 VanDerWaalsContact OE1-CA 3.27Å; Q51-I281 HydrophobicContact CB-CB 4.08Å; Q51-I281 HydrophobicContact CB-CD1 4.17Å; Q51-L282 HydrophobicContact CB-CD1 4.38Å; Q51-L282 HydrophobicContact CB-CG 4.05Å; Q51-L282 HydrophobicContact CG-CD1 3.92Å; Q51-L282 HydrophobicContact CG-CG 3.94Å
52I97.5Very high93.9Very high0 Ų044.2 Ų44.20%025%0.253CS..Hα-helixtrans-66-38.5177.1-69.4175.1000111I25 I48 I49 E50 E54 L55 Q56 V62 I64 F132 I171 I281I25-I52 HydrophobicContact CD1-CD1 4.02Å; I25-I52 HydrophobicContact CD1-CG1 3.79Å; I25-I52 HydrophobicContact CG2-CD1 4.49Å; I48-I52 HydrophobicContact CG2-CD1 3.75Å; I48-I52 HydrophobicContact CG2-CG1 4.39Å; I48-I52 VanDerWaalsContact O-CG1 3.31Å; I48-I52 WeakPolarHBondContact O-CG1 3.34Å; I48-I52 PolarHBondContact O-N 2.67Å; I49-I52 PolarHBondContact O-N 2.88Å; E50-I52 PolarHBondContact O-N 2.93Å; I52-E54 VanDerWaalsContact C-N 3.34Å; I52-L55 PolarHBondContact O-N 2.8Å; I52-Q56 PolarHBondContact O-N 2.78Å; I52-V62 HydrophobicContact CG2-CB 4.2Å; I52-V62 HydrophobicContact CG2-CG1 3.78Å; I52-V62 HydrophobicContact CG2-CG2 4.5Å; I52-I64 HydrophobicContact CD1-CD1 3.74Å; I52-I64 HydrophobicContact CD1-CG1 4.1Å; I52-I64 HydrophobicContact CG2-CD1 4.47Å; I52-F132 HydrophobicContact CB-CE1 4.33Å; I52-F132 HydrophobicContact CB-CZ 4.29Å; I52-F132 HydrophobicContact CG2-CE1 3.89Å; I52-F132 HydrophobicContact CG2-CZ 3.86Å; I52-I171 HydrophobicContact CG2-CD1 3.78Å; I52-I281 HydrophobicContact CD1-CD1 4.23Å; I52-I281 HydrophobicContact CG1-CD1 3.74Å
53S96.9Very high94.4Very high0 Ų039.3 Ų39.30%023%0.227CC..Hα-helixtrans-67-40.8179.5-56.90000110.4I49 E50 Q51 Q56 N57 I137I49-S53 VanDerWaalsContact O-CB 3.29Å; I49-S53 WeakPolarHBondContact O-CB 3.47Å; I49-S53 PolarHBondContact O-N 2.97Å; I49-S53 PolarHBondContact O-OG 3.35Å; E50-S53 WeakPolarHBondContact O-CB 3.35Å; E50-S53 PolarHBondContact O-N 3.35Å; Q51-S53 VanDerWaalsContact C-N 3.32Å; S53-Q56 PolarHBondContact O-N 2.95Å; S53-N57 WeakPolarHBondContact O-CB 3.47Å; S53-N57 VanDerWaalsContact O-CG 3.23Å; S53-N57 PolarHBondContact O-N 3.04Å; S53-N57 PolarHBondContact O-ND2 3.34Å; S53-I137 VanDerWaalsContact CB-CD1 3.48Å
54E95.7Very high94.8Very high85 Ų8536.4 Ų36.440%0.39720%0.198SC..Hα-helixtrans-60.3-45.2171.5-173.1175168.500111.9E50 Q51 I52 Q56 N57 H58 L282E50-E54 PolarHBondContact O-N 3.11Å; Q51-E54 PolarHBondContact O-N 3.48Å; I52-E54 VanDerWaalsContact C-N 3.34Å; E54-Q56 PolarHBondContact O-N 3.06Å; E54-N57 PolarHBondContact O-N 3.24Å; E54-H58 PolarHBondContact O-N 2.92Å; E54-H58 PolarHBondContact O-ND1 3.04Å; E54-H58 IonicContact OE1-CE1 2.95Å; E54-L282 HydrophobicContact CB-CD2 4.28Å; E54-L282 HydrophobicContact CG-CD2 4.2Å; E54-L282 WeakPolarHBondContact OE2-CD1 3.46Å
55L94.5Very high95.1Very high6 Ų633.8 Ų33.83%0.03119%0.188CC..Hα-helixtrans-59.9-45.3175.3-72.2-172.9000112.6I23 Q51 I52 N57 H58 G59 H60 V62 I281 L282 M285I23-L55 HydrophobicContact CD1-CD1 4.26Å; Q51-L55 WeakPolarHBondContact O-CG 3.48Å; Q51-L55 PolarHBondContact O-N 3.15Å; I52-L55 PolarHBondContact O-N 2.8Å; L55-N57 VanDerWaalsContact C-N 3.3Å; L55-N57 PolarHBondContact O-N 2.94Å; L55-H58 CarbonylContact O-C 3.3Å; L55-H58 PolarHBondContact O-N 3.44Å; L55-H58 VanDerWaalsContact O-N 3.16Å; L55-G59 PolarHBondContact O-N 3.17Å; L55-H60 HydrophobicContact CB-CB 4.2Å; L55-H60 WeakPolarHBondContact O-CB 3.36Å; L55-H60 PolarHBondContact O-CD2 3.45Å; L55-H60 VanDerWaalsContact O-CD2 3.25Å; L55-H60 PolarHBondContact O-N 3.45Å; L55-V62 HydrophobicContact CB-CG2 4.14Å; L55-V62 HydrophobicContact CD1-CG2 4.49Å; L55-I281 HydrophobicContact CD1-CG2 3.39Å; L55-I281 HydrophobicContact CG-CG2 4.2Å; L55-L282 HydrophobicContact CD2-CD2 4.03Å; L55-L282 HydrophobicContact CG-CD2 4.31Å; L55-M285 HydrophobicContact CD1-CG 3.92Å; L55-M285 HydrophobicContact CD2-CB 4.04Å; L55-M285 HydrophobicContact CD2-CG 3.8Å
56Q93.5Very high95.1Very high27 Ų2733.8 Ų33.813%0.12619%0.188CC..Hα-helixtrans-62.2-41178.9-164-155.454.900111.3I52 S53 E54 H58 G59 I137 K169I52-Q56 PolarHBondContact O-N 2.78Å; S53-Q56 PolarHBondContact O-N 2.95Å; E54-Q56 PolarHBondContact O-N 3.06Å; Q56-H58 VanDerWaalsContact C-N 3.25Å; Q56-H58 PolarHBondContact O-N 3.28Å; Q56-G59 WeakPolarHBondContact O-CA 3.47Å; Q56-G59 PolarHBondContact O-N 2.83Å; Q56-I137 HydrophobicContact CB-CD1 4.34Å; Q56-I137 VanDerWaalsContact OE1-CG1 3.28Å; Q56-K169 PolarHBondContact NE2-O 3.47Å
57N90.8Very high94.7Very high114 Ų11432.5 Ų32.561%0.6118%0.177SC*.Hα-helixtrans-63.7-31.1176.6-73.6-25.2000112.6S53 E54 L55 G59S53-N57 WeakPolarHBondContact O-CB 3.47Å; S53-N57 VanDerWaalsContact O-CG 3.23Å; S53-N57 PolarHBondContact O-N 3.04Å; S53-N57 PolarHBondContact O-ND2 3.34Å; E54-N57 PolarHBondContact O-N 3.24Å; L55-N57 VanDerWaalsContact C-N 3.3Å; L55-N57 PolarHBondContact O-N 2.94Å; N57-G59 PolarHBondContact O-N 2.94Å
58H91.1Very high94.1Very high131 Ų13131 Ų3161%0.60617%0.168SC*.THydrogen-bonded Turntrans-78.92.9171.6-71.495.8000114E54 L55 Q56E54-H58 PolarHBondContact O-N 2.92Å; E54-H58 PolarHBondContact O-ND1 3.04Å; E54-H58 IonicContact OE1-CE1 2.95Å; L55-H58 CarbonylContact O-C 3.3Å; L55-H58 PolarHBondContact O-N 3.44Å; L55-H58 VanDerWaalsContact O-N 3.16Å; Q56-H58 VanDerWaalsContact C-N 3.25Å; Q56-H58 PolarHBondContact O-N 3.28Å
59G91.1Very high93.6Very high60 Ų6031.2 Ų31.262%0.61917%0.17SC*.THydrogen-bonded Turntrans92.213173.800000115.1L55 Q56 N57L55-G59 PolarHBondContact O-N 3.17Å; Q56-G59 WeakPolarHBondContact O-CA 3.47Å; Q56-G59 PolarHBondContact O-N 2.83Å; N57-G59 PolarHBondContact O-N 2.94Å
60H95.2Very high92.8Very high36 Ų3632.2 Ų32.217%0.16718%0.176CC..  trans-78.2142.4172.1-61.6-82.2000111.4A20 K21 I23 L55 V62A20-H60 PolarHBondContact O-CE1 2.88Å; A20-H60 VanDerWaalsContact O-CE1 3.25Å; A20-H60 PolarHBondContact O-ND1 3.14Å; K21-H60 CarbonylContact O-C 3.25Å; K21-H60 WeakPolarHBondContact O-CA 3.41Å; I23-H60 HydrophobicContact CD1-CB 4.1Å; L55-H60 HydrophobicContact CB-CB 4.2Å; L55-H60 WeakPolarHBondContact O-CB 3.36Å; L55-H60 PolarHBondContact O-CD2 3.45Å; L55-H60 VanDerWaalsContact O-CD2 3.25Å; L55-H60 PolarHBondContact O-N 3.45Å; H60-V62 HydrophobicContact CB-CG2 4.24Å
61E96.6Very high91.8Very high69 Ų6929.6 Ų29.632%0.32217%0.171SC..EExtended strand (participates in β ladder)trans-90.9102.2174.1-60.6178.7179.100108.9K21 R22 I23 I166K21-E61 PolarHBondContact O-N 3.24Å; R22-E61 CarbonylContact C-O 3.43Å; R22-E61 WeakPolarHBondContact CA-O 3.45Å; R22-E61 HydrophobicContact CB-CB 4.32Å; R22-E61 HydrophobicContact CG-CB 4.37Å; R22-E61 IonicContact CZ-OE2 3.89Å; R22-E61 IonicContact NE-OE2 3.21Å; R22-E61 PolarHBondContact NE-OE2 3.05Å; R22-E61 IonicContact NH2-OE2 3.96Å; R22-E61 PolarHBondContact NH2-OE2 3.41Å; I23-E61 PolarHBondContact N-O 2.85Å; E61-I166 HydrophobicContact CB-CG2 3.78Å; E61-I166 HydrophobicContact CG-CG2 3.54Å
62V97.3Very high91Very high5 Ų531.8 Ų31.83%0.0318%0.181CC..EExtended strand (participates in β ladder)trans-105.7133.6-174.1-172.20000111.6I23 I25 I52 L55 H60I23-V62 WeakPolarHBondContact O-CA 3.29Å; I25-V62 HydrophobicContact CD1-CG1 3.61Å; I25-V62 HydrophobicContact CG1-CG1 3.99Å; I52-V62 HydrophobicContact CG2-CB 4.2Å; I52-V62 HydrophobicContact CG2-CG1 3.78Å; I52-V62 HydrophobicContact CG2-CG2 4.5Å; L55-V62 HydrophobicContact CB-CG2 4.14Å; L55-V62 HydrophobicContact CD1-CG2 4.49Å; H60-V62 HydrophobicContact CB-CG2 4.24Å
63I98Very high90.4Very high0 Ų031.8 Ų31.80%018%0.181CC..EExtended strand (participates in β ladder)trans-125.9134.5173.8-61.8152.4000108.6I23 V24 I25 I166 P172 L174 L198 I202I23-I63 PolarHBondContact O-N 3.23Å; V24-I63 CarbonylContact C-O 3.6Å; V24-I63 WeakPolarHBondContact CA-O 3.44Å; V24-I63 HydrophobicContact CG2-CB 4.47Å; I25-I63 PolarHBondContact N-O 2.98Å; I63-I166 HydrophobicContact CD1-CD1 3.74Å; I63-I166 HydrophobicContact CG1-CD1 4.04Å; I63-P172 HydrophobicContact CG1-CG 4.15Å; I63-P172 HydrophobicContact CG2-CB 4.33Å; I63-L174 HydrophobicContact CG2-CD1 3.88Å; I63-L198 HydrophobicContact CG2-CD2 4.05Å; I63-I202 HydrophobicContact CD1-CD1 3.1Å; I63-I202 HydrophobicContact CD1-CG1 4.5Å
64I97.8Very high89.5Confident0 Ų036.9 Ų36.90%020%0.2CC..EExtended strand (participates in β ladder)trans-104.4132.3-176.3-61.1175.7000109.5I25 I27 I52 F132 I171 P172 I173 L174I25-I64 CarbonylContact O-C 3.48Å; I25-I64 WeakPolarHBondContact O-CA 3.32Å; I27-I64 HydrophobicContact CD1-CG2 3.72Å; I27-I64 HydrophobicContact CG1-CG2 4.19Å; I52-I64 HydrophobicContact CD1-CD1 3.74Å; I52-I64 HydrophobicContact CD1-CG1 4.1Å; I52-I64 HydrophobicContact CG2-CD1 4.47Å; I64-F132 HydrophobicContact CD1-CE2 3.77Å; I64-F132 HydrophobicContact CD1-CZ 3.65Å; I64-I171 HydrophobicContact CD1-CG2 3.91Å; I64-I171 HydrophobicContact CG1-CG2 4.03Å; I64-P172 PolarHBondContact N-O 3.33Å; I64-I173 HydrophobicContact CB-CG1 4.35Å; I64-I173 HydrophobicContact CD1-CG1 4.45Å; I64-I173 HydrophobicContact CG2-CG2 4.4Å; I64-L174 PolarHBondContact O-N 3.4Å
65V95.6Very high88.5Confident0 Ų037.3 Ų37.30%020%0.201CC..EExtended strand (participates in β ladder)trans-107.1100.2163.9-179.50000107.8V24 I25 K26 I27 L174 N191 L194 A195 L198V24-V65 HydrophobicContact CG1-CG2 3.87Å; I25-V65 PolarHBondContact O-N 3.03Å; K26-V65 CarbonylContact C-O 3.49Å; K26-V65 VanDerWaalsContact CA-O 3.3Å; K26-V65 WeakPolarHBondContact CA-O 3.38Å; K26-V65 HydrophobicContact CB-CB 4.22Å; K26-V65 HydrophobicContact CG-CB 4.2Å; K26-V65 HydrophobicContact CG-CG1 4.2Å; I27-V65 PolarHBondContact N-O 3.1Å; V65-L174 CarbonylContact C-O 3.6Å; V65-L174 WeakPolarHBondContact CA-O 3.39Å; V65-L174 HydrophobicContact CG2-CB 4.38Å; V65-N191 HydrophobicContact CG1-CB 4.19Å; V65-L194 HydrophobicContact CG1-CD2 3.88Å; V65-L194 HydrophobicContact CG1-CG 4.01Å; V65-A195 HydrophobicContact CB-CB 4.13Å; V65-A195 HydrophobicContact CG1-CB 4.19Å; V65-A195 HydrophobicContact CG2-CB 4.02Å; V65-L198 HydrophobicContact CG2-CD2 3.57Å
66S91.6Very high87.7Confident0 Ų041.4 Ų41.40%022%0.218CC..EExtended strand (participates in β ladder)trans-84.4144.2-178.7-167.80000110.6Y128 L174 N175 N191S66-Y128 WeakPolarHBondContact CB-OH 3.37Å; S66-Y128 WeakPolarHBondContact OG-CE2 3.42Å; S66-Y128 PolarHBondContact OG-OH 2.88Å; S66-L174 PolarHBondContact N-O 2.79Å; S66-N175 PolarHBondContact O-OD1 3.03Å; S66-N191 PolarHBondContact O-ND2 3.49Å
67S86.6Confident87.1Confident5 Ų542.9 Ų42.94%0.03523%0.226CC..  trans-107.8-170.9160.5-60.60000110.3I27 S29 I32 N191I27-S67 WeakPolarHBondContact O-CB 3.41Å; I27-S67 PolarHBondContact O-N 3.45Å; I27-S67 PolarHBondContact O-OG 3.27Å; S29-S67 VanDerWaalsContact OG-CB 3.22Å; S29-S67 WeakPolarHBondContact OG-CB 3.46Å; I32-S67 VanDerWaalsContact CD1-O 3.29Å; I32-S67 WeakPolarHBondContact CD1-O 3.34Å; S67-N191 WeakPolarHBondContact CA-ND2 3.22Å; S67-N191 WeakPolarHBondContact OG-CB 3.46Å; S67-N191 PolarHBondContact OG-ND2 2.8Å
68G80.3Confident86.3Confident10 Ų1043.4 Ų43.410%0.10323%0.225CC..  trans94-8.6170.900000116.7S29 V70 A71 F72S29-G68 PolarHBondContact OG-N 3.14Å; S29-G68 VanDerWaalsContact OG-N 3.07Å; G68-V70 PolarHBondContact O-N 2.81Å; G68-A71 PolarHBondContact O-N 3.39Å; G68-A71 VanDerWaalsContact O-N 3.13Å; G68-F72 PolarHBondContact O-N 3.17Å
69A85Confident85.5Confident5 Ų542.2 Ų42.24%0.04122%0.219CC..Hα-helixtrans-57.5-46.9-17700000112.6A71 F72 G73 G120 M121 L124 N175A69-A71 PolarHBondContact O-N 2.68Å; A69-F72 PolarHBondContact O-N 3.42Å; A69-G73 PolarHBondContact O-N 3.14Å; A69-G120 WeakPolarHBondContact O-CA 3.02Å; A69-M121 HydrophobicContact CB-CB 4.07Å; A69-M121 HydrophobicContact CB-SD 4.23Å; A69-L124 VanDerWaalsContact CA-CD1 3.44Å; A69-L124 HydrophobicContact CB-CD1 3.85Å; A69-L124 VanDerWaalsContact N-CD1 3.35Å; A69-N175 WeakPolarHBondContact CB-ND2 3.28Å
70V80.6Confident84.9Confident21 Ų2143.5 Ų43.513%0.12721%0.209CC..Hα-helixtrans-60.8-44176.91760000111.6G68 G73 R74 K113 C116 A117G68-V70 PolarHBondContact O-N 2.81Å; V70-G73 PolarHBondContact O-N 3.15Å; V70-R74 WeakPolarHBondContact O-CG 3.45Å; V70-R74 PolarHBondContact O-N 2.82Å; V70-K113 HydrophobicContact CG1-CG 3.87Å; V70-K113 HydrophobicContact CG2-CG 4.24Å; V70-C116 HydrophobicContact CG1-CB 4.36Å; V70-A117 HydrophobicContact CG2-CB 3.84Å
71A75.9Confident83.9Confident45 Ų4547.7 Ų47.737%0.37222%0.223SC..Hα-helixtrans-64.9-46.9-178.700000111.2G68 A69 G73 R74G68-A71 PolarHBondContact O-N 3.39Å; G68-A71 VanDerWaalsContact O-N 3.13Å; A69-A71 PolarHBondContact O-N 2.68Å; A71-G73 VanDerWaalsContact C-N 3.33Å; A71-G73 PolarHBondContact O-N 3.33Å; A71-R74 PolarHBondContact O-N 3.45Å
72F79.9Confident82.7Confident48 Ų4850.5 Ų50.521%0.21124%0.238CC..Hα-helixtrans-64-40.4177.1-173.3-104.7000112.1L40 G68 A69 K75 K76 G120L40-F72 HydrophobicContact CD1-CD2 3.93Å; L40-F72 HydrophobicContact CD1-CE2 3.84Å; L40-F72 HydrophobicContact CD1-CZ 4.41Å; L40-F72 HydrophobicContact CD2-CD2 4.17Å; L40-F72 HydrophobicContact CG-CD2 3.61Å; L40-F72 HydrophobicContact CG-CE2 3.84Å; L40-F72 HydrophobicContact CG-CG 4.41Å; G68-F72 PolarHBondContact O-N 3.17Å; A69-F72 PolarHBondContact O-N 3.42Å; F72-K75 PolarHBondContact O-N 3.25Å; F72-K76 PolarHBondContact O-N 2.86Å; F72-G120 WeakPolarHBondContact CD1-O 3.33Å
73G83.5Confident81.8Confident0 Ų055.6 Ų55.60%026%0.264CS..Hα-helixtrans-67.2-33.6177.200000114A69 V70 A71 K75 K76 M77 C116A69-G73 PolarHBondContact O-N 3.14Å; V70-G73 PolarHBondContact O-N 3.15Å; A71-G73 VanDerWaalsContact C-N 3.33Å; A71-G73 PolarHBondContact O-N 3.33Å; G73-K75 VanDerWaalsContact C-N 3.29Å; G73-K75 PolarHBondContact O-N 2.9Å; G73-K76 PolarHBondContact O-N 3.48Å; G73-K76 VanDerWaalsContact O-N 3.16Å; G73-M77 WeakPolarHBondContact O-CB 3.22Å; G73-M77 VanDerWaalsContact O-CG 3.27Å; G73-M77 WeakPolarHBondContact O-CG 3.35Å; G73-M77 PolarHBondContact O-N 3.41Å; G73-C116 VanDerWaalsContact CA-O 3.29Å; G73-C116 WeakPolarHBondContact CA-O 3.5Å
74R78.8Confident80.8Confident107 Ų10760.8 Ų60.840%0.40430%0.299SS..Hα-helixtrans-56.5-44.2175.7-82.4177.5-175.6-177.50.7111.8V70 A71 M77 Q78 C116V70-R74 WeakPolarHBondContact O-CG 3.45Å; V70-R74 PolarHBondContact O-N 2.82Å; A71-R74 PolarHBondContact O-N 3.45Å; R74-M77 PolarHBondContact O-N 2.95Å; R74-Q78 VanDerWaalsContact O-CB 3.27Å; R74-Q78 WeakPolarHBondContact O-CB 3.46Å; R74-Q78 WeakPolarHBondContact O-CG 3.42Å; R74-Q78 PolarHBondContact O-N 3.33Å; R74-C116 WeakPolarHBondContact CA-SG 3.38Å; R74-C116 HydrophobicContact CG-CB 4.15Å; R74-C116 VanDerWaalsContact CG-SG 3.54Å
75K74.5Confident79.6Confident94 Ų9462.7 Ų62.741%0.40931%0.309SS..Hα-helixtrans-59-52174.7-175.7-166.3-168.2163.10111.3E38 F72 G73 M77 Q78 H79E38-K75 WeakPolarHBondContact O-CD 3.45Å; E38-K75 VanDerWaalsContact O-CE 3.24Å; E38-K75 WeakPolarHBondContact O-CE 3.5Å; E38-K75 PolarHBondContact O-NZ 3.24Å; F72-K75 PolarHBondContact O-N 3.25Å; G73-K75 VanDerWaalsContact C-N 3.29Å; G73-K75 PolarHBondContact O-N 2.9Å; K75-M77 VanDerWaalsContact C-N 3.33Å; K75-M77 PolarHBondContact O-N 3.16Å; K75-Q78 PolarHBondContact O-N 2.87Å; K75-H79 WeakPolarHBondContact O-CB 3.03Å; K75-H79 PolarHBondContact O-N 3.03Å
76K77.5Confident78.7Confident93 Ų9365.3 Ų65.340%0.40433%0.327SS..Hα-helixtrans-60.6-44.7-178.1-174.3166.2169.5-172.10110.9F72 G73 H79 E80 S119F72-K76 PolarHBondContact O-N 2.86Å; G73-K76 PolarHBondContact O-N 3.48Å; G73-K76 VanDerWaalsContact O-N 3.16Å; K76-H79 WeakPolarHBondContact O-CB 3.48Å; K76-H79 PolarHBondContact O-N 3.32Å; K76-E80 WeakPolarHBondContact O-CG 3.36Å; K76-E80 PolarHBondContact O-N 3.14Å; K76-S119 VanDerWaalsContact CD-OG 3.25Å; K76-S119 WeakPolarHBondContact CD-OG 3.47Å
77M80.4Confident78Confident58 Ų5872.1 Ų72.129%0.28636%0.363SS..Hα-helixtrans-68-36.7177.4-67.5-55-60.600113G73 R74 K75 H79 R81 A115G73-M77 WeakPolarHBondContact O-CB 3.22Å; G73-M77 VanDerWaalsContact O-CG 3.27Å; G73-M77 WeakPolarHBondContact O-CG 3.35Å; G73-M77 PolarHBondContact O-N 3.41Å; R74-M77 PolarHBondContact O-N 2.95Å; K75-M77 VanDerWaalsContact C-N 3.33Å; K75-M77 PolarHBondContact O-N 3.16Å; M77-H79 VanDerWaalsContact C-N 3.34Å; M77-R81 WeakPolarHBondContact O-CB 3.4Å; M77-R81 PolarHBondContact O-N 3.36Å; M77-A115 HydrophobicContact CE-CB 4.08Å; M77-A115 HydrophobicContact SD-CB 4.47Å
78Q75Confident77.3Confident125 Ų12581.2 Ų81.258%0.58440%0.397SS*.Hα-helixtrans-63.9-41.6172.9-79.4171.7-17.500111.2R74 K75 R81 M82R74-Q78 VanDerWaalsContact O-CB 3.27Å; R74-Q78 WeakPolarHBondContact O-CB 3.46Å; R74-Q78 WeakPolarHBondContact O-CG 3.42Å; R74-Q78 PolarHBondContact O-N 3.33Å; K75-Q78 PolarHBondContact O-N 2.87Å; Q78-R81 PolarHBondContact O-N 3.45Å; Q78-M82 WeakPolarHBondContact O-CG 3.15Å; Q78-M82 PolarHBondContact O-N 3.31Å
79H73.7Confident76.8Confident105 Ų10585.4 Ų85.449%0.48641%0.414SS..Hα-helixtrans-62.3-51.4175.3-176.266.7000111.6K75 K76 M77 R81 M82 L83K75-H79 WeakPolarHBondContact O-CB 3.03Å; K75-H79 PolarHBondContact O-N 3.03Å; K76-H79 WeakPolarHBondContact O-CB 3.48Å; K76-H79 PolarHBondContact O-N 3.32Å; M77-H79 VanDerWaalsContact C-N 3.34Å; H79-R81 VanDerWaalsContact C-N 3.29Å; H79-R81 PolarHBondContact O-N 2.79Å; H79-M82 PolarHBondContact O-N 3.29Å; H79-M82 VanDerWaalsContact O-N 3.15Å; H79-L83 WeakPolarHBondContact O-CG 3.32Å; H79-L83 PolarHBondContact O-N 2.95Å
80E79.3Confident75.8Confident87 Ų8786.7 Ų86.741%0.40742%0.424SS..Hα-helixtrans-59.5-40.4175.8-66.6-57.6155.200111.8K76 M82 L83 C84K76-E80 WeakPolarHBondContact O-CG 3.36Å; K76-E80 PolarHBondContact O-N 3.14Å; E80-M82 PolarHBondContact O-N 3.22Å; E80-L83 WeakPolarHBondContact O-CB 3.49Å; E80-L83 PolarHBondContact O-N 3.35Å; E80-C84 PolarHBondContact O-N 3.37Å; E80-C84 PolarHBondContact O-SG 2.93Å; E80-C84 VanDerWaalsContact O-SG 3.35Å
81R74.7Confident75.1Confident125 Ų12590.8 Ų90.847%0.47245%0.445SS..Hα-helixtrans-61.7-44.9175.9-171.9177.8179.6145.97.4111M77 Q78 H79 L83 C84 M85 E108M77-R81 WeakPolarHBondContact O-CB 3.4Å; M77-R81 PolarHBondContact O-N 3.36Å; Q78-R81 PolarHBondContact O-N 3.45Å; H79-R81 VanDerWaalsContact C-N 3.29Å; H79-R81 PolarHBondContact O-N 2.79Å; R81-L83 VanDerWaalsContact C-N 3.29Å; R81-L83 PolarHBondContact O-N 3.23Å; R81-C84 PolarHBondContact O-N 2.98Å; R81-M85 HydrophobicContact CG-CG 4.46Å; R81-M85 HydrophobicContact CG-SD 4.04Å; R81-M85 WeakPolarHBondContact O-CG 3.24Å; R81-M85 PolarHBondContact O-N 3.44Å; R81-E108 IonicContact CZ-OE1 3.21Å; R81-E108 IonicContact NH1-OE1 2.89Å; R81-E108 PolarHBondContact NH1-OE1 2.84Å; R81-E108 IonicContact NH2-OE1 2.74Å; R81-E108 PolarHBondContact NH2-OE1 2.9Å
82M71.6Confident74.4Confident128 Ų12892.4 Ų92.463%0.63145%0.447SS*.Hα-helixtrans-62.2-36.1175.5-75.1-142-66.700112.5Q78 H79 E80 M85Q78-M82 WeakPolarHBondContact O-CG 3.15Å; Q78-M82 PolarHBondContact O-N 3.31Å; H79-M82 PolarHBondContact O-N 3.29Å; H79-M82 VanDerWaalsContact O-N 3.15Å; E80-M82 PolarHBondContact O-N 3.22Å; M82-M85 PolarHBondContact O-N 3.47Å
83L76.6Confident73.2Confident111 Ų11194.3 Ų94.358%0.58146%0.462SS*.Hα-helixtrans-68.3-33.6175.1-68.5174.9000112.7H79 E80 R81H79-L83 WeakPolarHBondContact O-CG 3.32Å; H79-L83 PolarHBondContact O-N 2.95Å; E80-L83 WeakPolarHBondContact O-CB 3.49Å; E80-L83 PolarHBondContact O-N 3.35Å; R81-L83 VanDerWaalsContact C-N 3.29Å; R81-L83 PolarHBondContact O-N 3.23Å
84C77.4Confident71.7Confident109 Ų10999.9 Ų99.974%0.73650%0.496SS*.Hα-helixtrans-82.4-11.8176.5-65.20000114.1E80 R81E80-C84 PolarHBondContact O-N 3.37Å; E80-C84 PolarHBondContact O-SG 2.93Å; E80-C84 VanDerWaalsContact O-SG 3.35Å; R81-C84 PolarHBondContact O-N 2.98Å
85M72.4Confident70Confident40 Ų4098.7 Ų98.720%0.19750%0.504CS..SBendtrans-79.7138.7-179.3-78.6167.985.300111.3R81 M82 E89 T93R81-M85 HydrophobicContact CG-CG 4.46Å; R81-M85 HydrophobicContact CG-SD 4.04Å; R81-M85 WeakPolarHBondContact O-CG 3.24Å; R81-M85 PolarHBondContact O-N 3.44Å; M82-M85 PolarHBondContact O-N 3.47Å; M85-E89 HydrophobicContact CB-CB 4.23Å; M85-E89 HydrophobicContact CE-CB 3.77Å; M85-E89 WeakPolarHBondContact CE-O 3.45Å; M85-E89 HydrophobicContact CG-CB 4.33Å; M85-T93 HydrophobicContact CE-CG2 3.55Å; M85-T93 WeakPolarHBondContact CE-OG1 3.38Å
86S77.4Confident68.4Low56 Ų5698.1 Ų98.139%0.39251%0.509SS..  trans-65153.716665.90000110.4R88 E89 A90S86-R88 PolarHBondContact O-N 3.45Å; S86-R88 VanDerWaalsContact O-N 3.08Å; S86-E89 PolarHBondContact N-OE2 3.43Å; S86-E89 PolarHBondContact O-N 3.15Å; S86-E89 VanDerWaalsContact OG-CD 3.28Å; S86-E89 VanDerWaalsContact OG-CG 3.31Å; S86-E89 WeakPolarHBondContact OG-CG 3.41Å; S86-E89 PolarHBondContact OG-N 2.67Å; S86-E89 PolarHBondContact OG-OE2 3.08Å; S86-A90 PolarHBondContact O-N 3.25Å
87L76.7Confident66.5Low143 Ų143102.1 Ų102.175%0.74953%0.534SS*.Hα-helixtrans-52.8-35.4176.6-170.771000111.9L91L87-L91 HydrophobicContact CG-CD1 4.29Å; L87-L91 VanDerWaalsContact O-CG 3.25Å; L87-L91 WeakPolarHBondContact O-CG 3.47Å; L87-L91 PolarHBondContact O-N 2.94Å; L87-L91 VanDerWaalsContact O-N 3.12Å
88R72.3Confident64.5Low196 Ų196104.6 Ų104.674%0.7455%0.552SS**Hα-helixtrans-65-45.4176.4-176.3-179.9178.1-175.6-0.5112.1S86 L91 L92S86-R88 PolarHBondContact O-N 3.45Å; S86-R88 VanDerWaalsContact O-N 3.08Å; R88-L91 PolarHBondContact O-N 3.07Å; R88-L92 HydrophobicContact CG-CD1 4.11Å; R88-L92 VanDerWaalsContact O-CG 3.31Å; R88-L92 WeakPolarHBondContact O-CG 3.08Å; R88-L92 PolarHBondContact O-N 3.49Å
89E69.5Low62.7Low98 Ų98102.5 Ų102.546%0.45857%0.565SS.*Hα-helixtrans-65.9-41.2178.5-72.1162149.300111.3M85 S86 L91 L92 T93M85-E89 HydrophobicContact CB-CB 4.23Å; M85-E89 HydrophobicContact CE-CB 3.77Å; M85-E89 WeakPolarHBondContact CE-O 3.45Å; M85-E89 HydrophobicContact CG-CB 4.33Å; S86-E89 PolarHBondContact N-OE2 3.43Å; S86-E89 PolarHBondContact O-N 3.15Å; S86-E89 VanDerWaalsContact OG-CD 3.28Å; S86-E89 VanDerWaalsContact OG-CG 3.31Å; S86-E89 WeakPolarHBondContact OG-CG 3.41Å; S86-E89 PolarHBondContact OG-N 2.67Å; S86-E89 PolarHBondContact OG-OE2 3.08Å; E89-L91 VanDerWaalsContact C-N 3.34Å; E89-L91 PolarHBondContact O-N 3.28Å; E89-L92 PolarHBondContact O-N 3.28Å; E89-L92 VanDerWaalsContact O-N 3.17Å; E89-T93 PolarHBondContact O-N 3.31Å; E89-T93 PolarHBondContact O-OG1 2.96Å; E89-T93 VanDerWaalsContact O-OG1 3.09Å
90A64.1Low60.8Low32 Ų32103.2 Ų103.226%0.26458%0.576SS.*Hα-helixtrans-60-43.2177.200000111.9S86 T93 T94S86-A90 PolarHBondContact O-N 3.25Å; A90-T93 WeakPolarHBondContact CA-OG1 3.45Å; A90-T93 PolarHBondContact O-N 3.05Å; A90-T93 PolarHBondContact O-OG1 3.47Å; A90-T94 PolarHBondContact O-N 2.98Å
91L66.8Low58.8Low107 Ų107104 Ų10456%0.5658%0.583SS**Hα-helixtrans-68.5-32.6175.6-69.1170.6000112.9L87 R88 E89 T94 S95L87-L91 HydrophobicContact CG-CD1 4.29Å; L87-L91 VanDerWaalsContact O-CG 3.25Å; L87-L91 WeakPolarHBondContact O-CG 3.47Å; L87-L91 PolarHBondContact O-N 2.94Å; L87-L91 VanDerWaalsContact O-N 3.12Å; R88-L91 PolarHBondContact O-N 3.07Å; E89-L91 VanDerWaalsContact C-N 3.34Å; E89-L91 PolarHBondContact O-N 3.28Å; L91-T94 PolarHBondContact O-N 3.34Å; L91-T94 PolarHBondContact O-OG1 3.03Å; L91-S95 PolarHBondContact O-N 3.34Å; L91-S95 PolarHBondContact O-OG 3.06Å
92L60Low57.3Low79 Ų79102.9 Ų102.941%0.41459%0.59SS.*Hα-helixtrans-69.9-41.7174.9-75.2168.4000111.5R88 E89 T94 S95 T96R88-L92 HydrophobicContact CG-CD1 4.11Å; R88-L92 VanDerWaalsContact O-CG 3.31Å; R88-L92 WeakPolarHBondContact O-CG 3.08Å; R88-L92 PolarHBondContact O-N 3.49Å; E89-L92 PolarHBondContact O-N 3.28Å; E89-L92 VanDerWaalsContact O-N 3.17Å; L92-T94 PolarHBondContact O-N 3.49Å; L92-S95 WeakPolarHBondContact CA-OG 3.34Å; L92-S95 PolarHBondContact O-N 3.39Å; L92-S95 PolarHBondContact O-OG 2.97Å; L92-T96 PolarHBondContact O-N 3.19Å; L92-T96 PolarHBondContact O-OG1 2.86Å
93T56Low55.4Low87 Ų87103.5 Ų103.553%0.53460%0.596SS.*Hα-helixtrans-60.7-29.9175.635.40000113.4M85 E89 A90 S95M85-T93 HydrophobicContact CE-CG2 3.55Å; M85-T93 WeakPolarHBondContact CE-OG1 3.38Å; E89-T93 PolarHBondContact O-N 3.31Å; E89-T93 PolarHBondContact O-OG1 2.96Å; E89-T93 VanDerWaalsContact O-OG1 3.09Å; A90-T93 WeakPolarHBondContact CA-OG1 3.45Å; A90-T93 PolarHBondContact O-N 3.05Å; A90-T93 PolarHBondContact O-OG1 3.47Å; T93-S95 VanDerWaalsContact C-N 3.34Å
94T50.3Low53.4Low117 Ų117103.9 Ų103.972%0.71860%0.597SS**Hα-helixtrans-76.5-19.1172.848.40000113.7A90 L91 L92A90-T94 PolarHBondContact O-N 2.98Å; L91-T94 PolarHBondContact O-N 3.34Å; L91-T94 PolarHBondContact O-OG1 3.03Å; L92-T94 PolarHBondContact O-N 3.49Å
95S43.3Very low51.6Low82 Ų82104.1 Ų104.157%0.57359%0.588SS**Hα-helixtrans-108-19-173.448.90000114.8L91 L92 T93L91-S95 PolarHBondContact O-N 3.34Å; L91-S95 PolarHBondContact O-OG 3.06Å; L92-S95 WeakPolarHBondContact CA-OG 3.34Å; L92-S95 PolarHBondContact O-N 3.39Å; L92-S95 PolarHBondContact O-OG 2.97Å; T93-S95 VanDerWaalsContact C-N 3.34Å
96T41.5Very low50Low82 Ų82107.6 Ų107.650%0.50360%0.603SS.*  trans-109.777.7-178.155.60000113.3L92 T98L92-T96 PolarHBondContact O-N 3.19Å; L92-T96 PolarHBondContact O-OG1 2.86Å; T96-T98 PolarHBondContact O-N 3.17Å
97L38.5Very low48.3Very low178 Ų178113.3 Ų113.393%0.93262%0.621SS**  trans-75.814159.9-83.9164.6000112.9
98T37.8Very low47Very low109 Ų109110.6 Ų110.667%0.66961%0.605SS**SBendtrans-119.592-171.457.70000112.6T96 T100T96-T98 PolarHBondContact O-N 3.17Å; T98-T100 PolarHBondContact O-N 3.41Å
99G37.6Very low46.4Very low82 Ų82105.2 Ų105.285%0.84559%0.594SS**  86.69.211800000122.4
100T34.1Very low45.6Very low119 Ų119102.4 Ų102.473%0.7358%0.583SS**  trans-137.395.3-176.342.20000115.4T98T98-T100 PolarHBondContact O-N 3.41Å
101N36.5Very low45.3Very low103 Ų103103.8 Ų103.855%0.55160%0.595SS**  trans144.275144.1-82.4-30.2000113.1L103 L104 Q105N101-L103 PolarHBondContact O-N 3.01Å; N101-L104 HydrophobicContact CB-CB 4.42Å; N101-Q105 VanDerWaalsContact O-CB 3.32Å; N101-Q105 WeakPolarHBondContact O-CB 3.26Å; N101-Q105 VanDerWaalsContact O-CG 3.27Å; N101-Q105 WeakPolarHBondContact O-CG 3.23Å; N101-Q105 PolarHBondContact O-N 3.01Å; N101-Q105 VanDerWaalsContact O-N 3.12Å
102V42.1Very low45.6Very low102 Ų102101.4 Ų101.462%0.61858%0.583SS**Hα-helixtrans-64.6-38.8-177.3-1780000112.8Q105 E106V102-Q105 PolarHBondContact O-N 2.79Å; V102-E106 PolarHBondContact O-N 3.13Å
103L32.2Very low46.4Very low142 Ų142101.9 Ų101.974%0.74358%0.581SS**Hα-helixtrans-76.7-34.6-175.5-81160.3000114.4N101N101-L103 PolarHBondContact O-N 3.01Å
104L34.4Very low47.8Very low118 Ų118102.1 Ų102.162%0.61857%0.572SS**Hα-helixtrans-72.6-37.5171.7-75.6168000110.3N101 E106 E108N101-L104 HydrophobicContact CB-CB 4.42Å; L104-E106 VanDerWaalsContact C-N 3.31Å; L104-E106 PolarHBondContact O-N 2.77Å; L104-E108 WeakPolarHBondContact O-CB 3.42Å; L104-E108 PolarHBondContact O-N 2.84Å
105Q39.6Very low49.4Very low115 Ų11598.3 Ų98.354%0.53755%0.553SS.*Hα-helixtrans-60.4-36.1173.7-80.9179.3-13.600112.6N101 V102 T109N101-Q105 VanDerWaalsContact O-CB 3.32Å; N101-Q105 WeakPolarHBondContact O-CB 3.26Å; N101-Q105 VanDerWaalsContact O-CG 3.27Å; N101-Q105 WeakPolarHBondContact O-CG 3.23Å; N101-Q105 PolarHBondContact O-N 3.01Å; N101-Q105 VanDerWaalsContact O-N 3.12Å; V102-Q105 PolarHBondContact O-N 2.79Å; Q105-T109 WeakPolarHBondContact O-CB 3.39Å; Q105-T109 WeakPolarHBondContact O-CG2 3.37Å; Q105-T109 PolarHBondContact O-N 3.1Å; Q105-T109 PolarHBondContact O-OG1 2.68Å
106E40.2Very low51.3Low112 Ų11294.4 Ų94.452%0.52353%0.525SS..Hα-helixtrans-65.9-52178.7-80.6-178.9172.300113.1V102 L104 E108 T109 V110V102-E106 PolarHBondContact O-N 3.13Å; L104-E106 VanDerWaalsContact C-N 3.31Å; L104-E106 PolarHBondContact O-N 2.77Å; E106-E108 VanDerWaalsContact C-N 3.29Å; E106-E108 PolarHBondContact O-N 3.12Å; E106-T109 WeakPolarHBondContact CA-OG1 3.3Å; E106-T109 PolarHBondContact O-N 2.89Å; E106-T109 PolarHBondContact O-OG1 3.14Å; E106-V110 WeakPolarHBondContact O-CG2 3.38Å; E106-V110 PolarHBondContact O-N 3.05Å; E106-V110 VanDerWaalsContact O-N 3.15Å
107K41.7Very low53.4Low177 Ų17790.8 Ų90.877%0.7750%0.504SS*.Hα-helixtrans-63.9-37.8176.9-81-173.3176.8179.30112A111K107-A111 WeakPolarHBondContact O-CB 3.45Å; K107-A111 PolarHBondContact O-N 3.44Å
108E49.4Very low55.8Low86 Ų8684.9 Ų84.940%0.40248%0.481SS..Hα-helixtrans-68.3-37.3177.5-156.3-175.6159.600111.3R81 L104 E106 N112R81-E108 IonicContact CZ-OE1 3.21Å; R81-E108 IonicContact NH1-OE1 2.89Å; R81-E108 PolarHBondContact NH1-OE1 2.84Å; R81-E108 IonicContact NH2-OE1 2.74Å; R81-E108 PolarHBondContact NH2-OE1 2.9Å; L104-E108 WeakPolarHBondContact O-CB 3.42Å; L104-E108 PolarHBondContact O-N 2.84Å; E106-E108 VanDerWaalsContact C-N 3.29Å; E106-E108 PolarHBondContact O-N 3.12Å; E108-N112 WeakPolarHBondContact O-CB 3.36Å; E108-N112 PolarHBondContact O-N 3.3Å
109T58.6Low58.1Low82 Ų8280.7 Ų80.750%0.50346%0.456SS..Hα-helixtrans-68.7-35.9178.446.50000113Q105 E106 K113Q105-T109 WeakPolarHBondContact O-CB 3.39Å; Q105-T109 WeakPolarHBondContact O-CG2 3.37Å; Q105-T109 PolarHBondContact O-N 3.1Å; Q105-T109 PolarHBondContact O-OG1 2.68Å; E106-T109 WeakPolarHBondContact CA-OG1 3.3Å; E106-T109 PolarHBondContact O-N 2.89Å; E106-T109 PolarHBondContact O-OG1 3.14Å; T109-K113 PolarHBondContact O-N 3.3Å
110V53.5Low60.5Low39 Ų3976.8 Ų76.824%0.23642%0.416CS..Hα-helixtrans-71.6-51.8178175.60000111.1E106 N112 K113 R114 E183E106-V110 WeakPolarHBondContact O-CG2 3.38Å; E106-V110 PolarHBondContact O-N 3.05Å; E106-V110 VanDerWaalsContact O-N 3.15Å; V110-N112 PolarHBondContact O-N 3.49Å; V110-K113 PolarHBondContact O-N 3.43Å; V110-R114 PolarHBondContact O-N 3.17Å; V110-R114 VanDerWaalsContact O-N 3.1Å; V110-E183 HydrophobicContact CG1-CG 4.25Å; V110-E183 WeakPolarHBondContact CG1-OE1 3.47Å; V110-E183 WeakPolarHBondContact CG2-OE1 3.46Å
111A58.2Low63.3Low62 Ų6271.5 Ų71.551%0.51238%0.383SS..Hα-helixtrans-56.5-37.8175.300000110.5K107 A115K107-A111 WeakPolarHBondContact O-CB 3.45Å; K107-A111 PolarHBondContact O-N 3.44Å; A111-A115 WeakPolarHBondContact O-CB 3.4Å; A111-A115 PolarHBondContact O-N 3.2Å
112N72.8Confident65.9Low57 Ų5769.4 Ų69.431%0.30538%0.38SS..Hα-helixtrans-65.4-43.5174.3-170.2-3.2000112.4E108 V110 R114 A115 C116E108-N112 WeakPolarHBondContact O-CB 3.36Å; E108-N112 PolarHBondContact O-N 3.3Å; V110-N112 PolarHBondContact O-N 3.49Å; N112-R114 PolarHBondContact O-N 3.33Å; N112-A115 PolarHBondContact O-N 3.5Å; N112-C116 VanDerWaalsContact O-CB 3.27Å; N112-C116 WeakPolarHBondContact O-CB 3.36Å; N112-C116 PolarHBondContact O-N 3.2Å; N112-C116 PolarHBondContact O-SG 3.05Å; N112-C116 PolarHBondContact OD1-SG 2.87Å
113K76.8Confident68.1Low88 Ų8865.4 Ų65.438%0.38336%0.359SS..Hα-helixtrans-60-43.9176.6-169.7-174.2176.6-170.20111.9V70 T109 V110 C116 A117V70-K113 HydrophobicContact CG1-CG 3.87Å; V70-K113 HydrophobicContact CG2-CG 4.24Å; T109-K113 PolarHBondContact O-N 3.3Å; V110-K113 PolarHBondContact O-N 3.43Å; K113-C116 WeakPolarHBondContact O-CB 3.49Å; K113-C116 PolarHBondContact O-N 2.8Å; K113-A117 PolarHBondContact O-N 2.99Å
114R84.3Confident70.9Confident92 Ų9258.7 Ų58.735%0.34732%0.324SS..Hα-helixtrans-64.6-45.9177.7-65.8-172169.2152.70.7111.9V110 N112 C116 A117 A118 D178 A179 A181V110-R114 PolarHBondContact O-N 3.17Å; V110-R114 VanDerWaalsContact O-N 3.1Å; N112-R114 PolarHBondContact O-N 3.33Å; R114-C116 VanDerWaalsContact C-N 3.34Å; R114-C116 PolarHBondContact O-N 3.05Å; R114-A117 WeakPolarHBondContact O-CB 3.23Å; R114-A117 PolarHBondContact O-N 2.97Å; R114-A118 PolarHBondContact O-N 2.82Å; R114-D178 WeakPolarHBondContact CG-O 3.26Å; R114-A179 WeakPolarHBondContact CD-O 3.24Å; R114-A181 PolarHBondContact NE-O 3Å; R114-A181 PolarHBondContact NH2-O 2.65Å
115A83.6Confident73.7Confident37 Ų3754 Ų5431%0.30630%0.3SS..Hα-helixtrans-62.6-40.8175.900000111.9M77 A111 N112 A118 S119M77-A115 HydrophobicContact CE-CB 4.08Å; M77-A115 HydrophobicContact SD-CB 4.47Å; A111-A115 WeakPolarHBondContact O-CB 3.4Å; A111-A115 PolarHBondContact O-N 3.2Å; N112-A115 PolarHBondContact O-N 3.5Å; A115-A118 PolarHBondContact O-N 3.48Å; A115-S119 VanDerWaalsContact O-CB 3.25Å; A115-S119 WeakPolarHBondContact O-CB 3.5Å; A115-S119 PolarHBondContact O-N 2.95Å
116C84Confident76.3Confident0 Ų051.2 Ų51.20%030%0.296CS..Hα-helixtrans-61.2-46.8173.1-70.80000111.4V70 G73 R74 N112 K113 R114 A118 S119 G120V70-C116 HydrophobicContact CG1-CB 4.36Å; G73-C116 VanDerWaalsContact CA-O 3.29Å; G73-C116 WeakPolarHBondContact CA-O 3.5Å; R74-C116 WeakPolarHBondContact CA-SG 3.38Å; R74-C116 HydrophobicContact CG-CB 4.15Å; R74-C116 VanDerWaalsContact CG-SG 3.54Å; N112-C116 VanDerWaalsContact O-CB 3.27Å; N112-C116 WeakPolarHBondContact O-CB 3.36Å; N112-C116 PolarHBondContact O-N 3.2Å; N112-C116 PolarHBondContact O-SG 3.05Å; N112-C116 PolarHBondContact OD1-SG 2.87Å; K113-C116 WeakPolarHBondContact O-CB 3.49Å; K113-C116 PolarHBondContact O-N 2.8Å; R114-C116 VanDerWaalsContact C-N 3.34Å; R114-C116 PolarHBondContact O-N 3.05Å; C116-A118 VanDerWaalsContact C-N 3.34Å; C116-A118 PolarHBondContact O-N 3.06Å; C116-S119 PolarHBondContact O-N 3.18Å; C116-G120 WeakPolarHBondContact O-CA 3.19Å; C116-G120 PolarHBondContact O-N 2.86Å
117A85.9Confident78.8Confident7 Ų746.7 Ų46.76%0.05828%0.278CS..Hα-helixtrans-56.1-49176.900000111.9V70 K113 R114 M121 D178V70-A117 HydrophobicContact CG2-CB 3.84Å; K113-A117 PolarHBondContact O-N 2.99Å; R114-A117 WeakPolarHBondContact O-CB 3.23Å; R114-A117 PolarHBondContact O-N 2.97Å; A117-M121 VanDerWaalsContact O-CB 3.27Å; A117-M121 WeakPolarHBondContact O-CB 3.42Å; A117-M121 PolarHBondContact O-N 3.43Å; A117-D178 HydrophobicContact CB-CB 3.51Å
118A88.1Confident81.4Confident53 Ų5338.3 Ų38.344%0.43824%0.241SC..Hα-helixtrans-62.3-52.3179.400000112.2R114 A115 C116 G120 A122 A179R114-A118 PolarHBondContact O-N 2.82Å; A115-A118 PolarHBondContact O-N 3.48Å; C116-A118 VanDerWaalsContact C-N 3.34Å; C116-A118 PolarHBondContact O-N 3.06Å; A118-G120 VanDerWaalsContact C-N 3.31Å; A118-G120 PolarHBondContact O-N 2.88Å; A118-A122 PolarHBondContact O-N 3.41Å; A118-A179 HydrophobicContact CB-CB 3.93Å
119S86.8Confident83.6Confident22 Ų2239.8 Ų39.815%0.15425%0.248CC..Hα-helixtrans-63.2-38.7-178.9-173.90000112.1K76 A115 C116K76-S119 VanDerWaalsContact CD-OG 3.25Å; K76-S119 WeakPolarHBondContact CD-OG 3.47Å; A115-S119 VanDerWaalsContact O-CB 3.25Å; A115-S119 WeakPolarHBondContact O-CB 3.5Å; A115-S119 PolarHBondContact O-N 2.95Å; C116-S119 PolarHBondContact O-N 3.18Å
120G88.5Confident85.4Confident0 Ų038.6 Ų38.60%025%0.246CC..Hα-helixtrans-78.2-33.7-176.700000113.8A69 F72 C116 A118 A122 G123 L124A69-G120 WeakPolarHBondContact O-CA 3.02Å; F72-G120 WeakPolarHBondContact CD1-O 3.33Å; C116-G120 WeakPolarHBondContact O-CA 3.19Å; C116-G120 PolarHBondContact O-N 2.86Å; A118-G120 VanDerWaalsContact C-N 3.31Å; A118-G120 PolarHBondContact O-N 2.88Å; G120-A122 VanDerWaalsContact C-N 3.3Å; G120-A122 PolarHBondContact O-N 3.01Å; G120-G123 PolarHBondContact O-N 3.44Å; G120-L124 PolarHBondContact O-N 2.85Å
121M92Very high87.5Confident8 Ų838.6 Ų38.64%0.03925%0.245CC..Hα-helixtrans-63.6-38175.5-170.562.9-13300111.8A69 A117 G123 L124 M125 Q141 L143 N175A69-M121 HydrophobicContact CB-CB 4.07Å; A69-M121 HydrophobicContact CB-SD 4.23Å; A117-M121 VanDerWaalsContact O-CB 3.27Å; A117-M121 WeakPolarHBondContact O-CB 3.42Å; A117-M121 PolarHBondContact O-N 3.43Å; M121-G123 VanDerWaalsContact C-N 3.33Å; M121-G123 PolarHBondContact O-N 3.31Å; M121-L124 HydrophobicContact CE-CB 4.39Å; M121-L124 PolarHBondContact O-N 2.8Å; M121-M125 HydrophobicContact CE-CB 4.3Å; M121-M125 HydrophobicContact CE-SD 4.45Å; M121-M125 WeakPolarHBondContact O-CB 3.35Å; M121-M125 PolarHBondContact O-N 3.4Å; M121-Q141 HydrophobicContact CE-CG 4.35Å; M121-Q141 VanDerWaalsContact CE-NE2 3.31Å; M121-L143 HydrophobicContact CG-CD1 4.37Å; M121-L143 HydrophobicContact CG-CD2 3.8Å; M121-L143 HydrophobicContact SD-CD2 4.07Å; M121-N175 HydrophobicContact SD-CB 3.94Å; M121-N175 PolarHBondContact SD-ND2 2.84Å; M121-N175 VanDerWaalsContact SD-ND2 3.39Å
122A90.2Very high89.4Confident59 Ų5935.7 Ų35.749%0.48822%0.221SC..Hα-helixtrans-58.2-44.7175.100000112.1A118 G120 M125 A126A118-A122 PolarHBondContact O-N 3.41Å; G120-A122 VanDerWaalsContact C-N 3.3Å; G120-A122 PolarHBondContact O-N 3.01Å; A122-M125 PolarHBondContact O-N 2.83Å; A122-A126 PolarHBondContact O-N 2.81Å; A122-A126 VanDerWaalsContact O-N 3.12Å
123G89.1Confident90.5Very high18 Ų1835.8 Ų35.819%0.18623%0.229CC..Hα-helixtrans-76.2-32.9179.200000114.3G120 M121 M125 A126 A127G120-G123 PolarHBondContact O-N 3.44Å; M121-G123 VanDerWaalsContact C-N 3.33Å; M121-G123 PolarHBondContact O-N 3.31Å; G123-M125 VanDerWaalsContact C-N 3.32Å; G123-A126 PolarHBondContact O-N 3.31Å; G123-A127 PolarHBondContact O-N 2.88Å
124L90.2Very high91.3Very high0 Ų039 Ų390%025%0.246CC..Hα-helixtrans-59.8-45.3169.6-84.4175.5000111.2I32 L40 A69 G120 M121 A127 Y128I32-L124 HydrophobicContact CD1-CD2 3.75Å; L40-L124 HydrophobicContact CD1-CD2 3.9Å; L40-L124 HydrophobicContact CD2-CD2 3.49Å; L40-L124 VanDerWaalsContact CD2-CD2 3.49Å; L40-L124 HydrophobicContact CG-CD2 4.33Å; A69-L124 VanDerWaalsContact CA-CD1 3.44Å; A69-L124 HydrophobicContact CB-CD1 3.85Å; A69-L124 VanDerWaalsContact N-CD1 3.35Å; G120-L124 PolarHBondContact O-N 2.85Å; M121-L124 HydrophobicContact CE-CB 4.39Å; M121-L124 PolarHBondContact O-N 2.8Å; L124-A127 WeakPolarHBondContact O-CB 3.35Å; L124-A127 PolarHBondContact O-N 3.3Å; L124-Y128 WeakPolarHBondContact O-CD2 3.49Å; L124-Y128 PolarHBondContact O-N 3.2Å
125M94.8Very high91.8Very high21 Ų2139 Ų3910%0.10325%0.246CC..Hα-helixtrans-63.6-43-179.7-164.863.2-156.600111.5M121 A122 G123 A127 Y128 E129 V139 Q141 I173M121-M125 HydrophobicContact CE-CB 4.3Å; M121-M125 HydrophobicContact CE-SD 4.45Å; M121-M125 WeakPolarHBondContact O-CB 3.35Å; M121-M125 PolarHBondContact O-N 3.4Å; A122-M125 PolarHBondContact O-N 2.83Å; G123-M125 VanDerWaalsContact C-N 3.32Å; M125-A127 VanDerWaalsContact C-N 3.27Å; M125-A127 PolarHBondContact O-N 2.99Å; M125-Y128 PolarHBondContact O-N 3.11Å; M125-E129 VanDerWaalsContact O-CB 3.32Å; M125-E129 WeakPolarHBondContact O-CB 3.24Å; M125-E129 PolarHBondContact O-N 3.3Å; M125-V139 HydrophobicContact CE-CB 3.88Å; M125-V139 HydrophobicContact CE-CG2 3.38Å; M125-Q141 HydrophobicContact CE-CB 4.17Å; M125-Q141 HydrophobicContact CG-CB 4.24Å; M125-Q141 HydrophobicContact SD-CB 3.75Å; M125-Q141 HydrophobicContact SD-CG 4.29Å; M125-I173 HydrophobicContact CE-CD1 4.31Å; M125-I173 HydrophobicContact SD-CB 4.45Å; M125-I173 HydrophobicContact SD-CD1 4.36Å
126A94.1Very high92.3Very high56 Ų5640.6 Ų40.646%0.46327%0.267SS..Hα-helixtrans-58.8-39.2174.100000112.3A122 G123 A130A122-A126 PolarHBondContact O-N 2.81Å; A122-A126 VanDerWaalsContact O-N 3.12Å; G123-A126 PolarHBondContact O-N 3.31Å; A126-A130 VanDerWaalsContact O-CB 3.28Å; A126-A130 WeakPolarHBondContact O-CB 3.34Å; A126-A130 PolarHBondContact O-N 2.95Å
127A92.5Very high92.9Very high17 Ų1741 Ų4114%0.1427%0.269CS..Hα-helixtrans-67.4-44.9176.100000112.3L40 L45 G123 L124 M125 L131L40-A127 HydrophobicContact CD1-CB 4.11Å; L45-A127 HydrophobicContact CD2-CB 4.24Å; G123-A127 PolarHBondContact O-N 2.88Å; L124-A127 WeakPolarHBondContact O-CB 3.35Å; L124-A127 PolarHBondContact O-N 3.3Å; M125-A127 VanDerWaalsContact C-N 3.27Å; M125-A127 PolarHBondContact O-N 2.99Å; A127-L131 WeakPolarHBondContact O-CB 3.31Å; A127-L131 VanDerWaalsContact O-CG 3.26Å; A127-L131 WeakPolarHBondContact O-CG 3.35Å; A127-L131 PolarHBondContact O-N 2.84Å; A127-L131 VanDerWaalsContact O-N 3.11Å
128Y95.8Very high93.4Very high0 Ų044.3 Ų44.30%029%0.292CS..Hα-helixtrans-60.9-48175.5-81.2-66000111.8I27 L45 I49 S66 L124 M125 A130 L131 F132 I173I27-Y128 HydrophobicContact CD1-CE1 4.44Å; L45-Y128 HydrophobicContact CD1-CD1 4.23Å; L45-Y128 HydrophobicContact CD1-CE1 3.59Å; I49-Y128 HydrophobicContact CD1-CD1 3.76Å; I49-Y128 HydrophobicContact CD1-CE1 4.23Å; I49-Y128 HydrophobicContact CG1-CD1 4.39Å; S66-Y128 WeakPolarHBondContact CB-OH 3.37Å; S66-Y128 WeakPolarHBondContact OG-CE2 3.42Å; S66-Y128 PolarHBondContact OG-OH 2.88Å; L124-Y128 WeakPolarHBondContact O-CD2 3.49Å; L124-Y128 PolarHBondContact O-N 3.2Å; M125-Y128 PolarHBondContact O-N 3.11Å; Y128-A130 PolarHBondContact O-N 3.22Å; Y128-L131 PolarHBondContact O-N 3.47Å; Y128-F132 HydrophobicContact CD1-CD2 4.27Å; Y128-F132 AromaticContact CD1-CE2 3.89Å; Y128-F132 HydrophobicContact CD1-CE2 3.89Å; Y128-F132 WeakPolarHBondContact O-CB 3.09Å; Y128-F132 WeakPolarHBondContact O-CD2 3.22Å; Y128-F132 PolarHBondContact O-N 2.92Å; Y128-I173 VanDerWaalsContact CB-CD1 3.45Å; Y128-I173 HydrophobicContact CD1-CD1 3.78Å; Y128-I173 HydrophobicContact CD2-CD1 3.9Å; Y128-I173 HydrophobicContact CD2-CG2 4.19Å; Y128-I173 HydrophobicContact CE1-CD1 4.47Å; Y128-I173 HydrophobicContact CE2-CG2 4.16Å; Y128-I173 HydrophobicContact CG-CD1 3.46Å; Y128-I173 VanDerWaalsContact CG-CD1 3.46Å
129E96.7Very high93.8Very high117 Ų11743 Ų4355%0.54728%0.278SS..Hα-helixtrans-60.9-46.8-179.5-171.8172.1-173.300111.4M125 L131 A133 V139M125-E129 VanDerWaalsContact O-CB 3.32Å; M125-E129 WeakPolarHBondContact O-CB 3.24Å; M125-E129 PolarHBondContact O-N 3.3Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 3.4Å; E129-A133 WeakPolarHBondContact O-CB 3.28Å; E129-A133 PolarHBondContact O-N 3.44Å; E129-V139 HydrophobicContact CB-CG2 3.96Å; E129-V139 HydrophobicContact CG-CG2 4.23Å
130A96.2Very high94.3Very high57 Ų5742.9 Ų42.947%0.47128%0.279SS..Hα-helixtrans-62.1-38.1178.200000113.3A126 Y128 Q134A126-A130 VanDerWaalsContact O-CB 3.28Å; A126-A130 WeakPolarHBondContact O-CB 3.34Å; A126-A130 PolarHBondContact O-N 2.95Å; Y128-A130 PolarHBondContact O-N 3.22Å; A130-Q134 PolarHBondContact O-NE2 3.47Å
131L96.8Very high94.7Very high40 Ų4046.9 Ų46.921%0.20930%0.297CS..Hα-helixtrans-77.9-46.2-178.6-70.1171.3000112.1L45 A46 I49 A127 Y128 E129 A133 Q134 Y135L45-L131 HydrophobicContact CB-CD1 4.37Å; L45-L131 HydrophobicContact CD2-CD1 3.69Å; L45-L131 HydrophobicContact CG-CD1 3.72Å; A46-L131 HydrophobicContact CB-CD2 4.17Å; I49-L131 HydrophobicContact CD1-CB 3.5Å; I49-L131 VanDerWaalsContact CD1-CB 3.5Å; I49-L131 HydrophobicContact CD1-CD1 3.61Å; I49-L131 HydrophobicContact CD1-CG 4.19Å; I49-L131 HydrophobicContact CG2-CB 4.21Å; A127-L131 WeakPolarHBondContact O-CB 3.31Å; A127-L131 VanDerWaalsContact O-CG 3.26Å; A127-L131 WeakPolarHBondContact O-CG 3.35Å; A127-L131 PolarHBondContact O-N 2.84Å; A127-L131 VanDerWaalsContact O-N 3.11Å; Y128-L131 PolarHBondContact O-N 3.47Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 3.4Å; L131-A133 VanDerWaalsContact C-N 3.29Å; L131-A133 PolarHBondContact O-N 2.98Å; L131-Q134 WeakPolarHBondContact O-CB 3.43Å; L131-Q134 PolarHBondContact O-N 3.16Å; L131-Y135 WeakPolarHBondContact O-CD2 3.45Å
132F97.5Very high94.9Very high0 Ų047.7 Ų47.70%030%0.303CS..Hα-helixtrans-65.8-32176.7-85.3-68.6000112.6I49 I52 I64 Y128 Q134 Y135 G136 I137 V139 I171 I173I49-F132 HydrophobicContact CB-CE1 4.41Å; I49-F132 HydrophobicContact CB-CE2 4.5Å; I49-F132 HydrophobicContact CB-CZ 4.25Å; I49-F132 HydrophobicContact CD1-CD2 4.12Å; I49-F132 HydrophobicContact CD1-CE2 4Å; I49-F132 HydrophobicContact CG1-CD2 4.25Å; I49-F132 HydrophobicContact CG1-CE1 4.47Å; I49-F132 HydrophobicContact CG1-CE2 3.74Å; I49-F132 HydrophobicContact CG1-CZ 3.84Å; I49-F132 HydrophobicContact CG2-CD1 3.69Å; I49-F132 HydrophobicContact CG2-CD2 4.15Å; I49-F132 HydrophobicContact CG2-CE1 3.69Å; I49-F132 HydrophobicContact CG2-CE2 4.18Å; I49-F132 HydrophobicContact CG2-CG 3.92Å; I49-F132 HydrophobicContact CG2-CZ 3.94Å; I52-F132 HydrophobicContact CB-CE1 4.33Å; I52-F132 HydrophobicContact CB-CZ 4.29Å; I52-F132 HydrophobicContact CG2-CE1 3.89Å; I52-F132 HydrophobicContact CG2-CZ 3.86Å; I64-F132 HydrophobicContact CD1-CE2 3.77Å; I64-F132 HydrophobicContact CD1-CZ 3.65Å; Y128-F132 HydrophobicContact CD1-CD2 4.27Å; Y128-F132 AromaticContact CD1-CE2 3.89Å; Y128-F132 HydrophobicContact CD1-CE2 3.89Å; Y128-F132 WeakPolarHBondContact O-CB 3.09Å; Y128-F132 WeakPolarHBondContact O-CD2 3.22Å; Y128-F132 PolarHBondContact O-N 2.92Å; F132-Q134 PolarHBondContact O-N 3.27Å; F132-Y135 PolarHBondContact O-N 3.01Å; F132-G136 PolarHBondContact O-N 3.22Å; F132-I137 CarbonylContact C-O 3.31Å; F132-I137 HydrophobicContact CB-CB 4.29Å; F132-I137 HydrophobicContact CD1-CB 4.03Å; F132-I137 HydrophobicContact CD1-CD1 4.26Å; F132-I137 HydrophobicContact CD1-CG2 3.99Å; F132-I137 PolarHBondContact O-N 3.17Å; F132-I137 VanDerWaalsContact O-N 3.12Å; F132-V139 HydrophobicContact CB-CG1 3.8Å; F132-V139 HydrophobicContact CD2-CG1 3.4Å; F132-V139 HydrophobicContact CE2-CG1 4.07Å; F132-V139 HydrophobicContact CG-CG1 3.67Å; F132-I171 HydrophobicContact CD1-CD1 4.19Å; F132-I171 HydrophobicContact CE1-CD1 3.62Å; F132-I171 HydrophobicContact CZ-CD1 4.06Å; F132-I173 HydrophobicContact CE2-CD1 4.37Å
133A95.9Very high95.1Very high59 Ų5947.5 Ų47.549%0.48829%0.293SS..Hα-helixtrans-59.1-28.5174.300000113E129 L131 Y135 G136E129-A133 WeakPolarHBondContact O-CB 3.28Å; E129-A133 PolarHBondContact O-N 3.44Å; L131-A133 VanDerWaalsContact C-N 3.29Å; L131-A133 PolarHBondContact O-N 2.98Å; A133-Y135 PolarHBondContact O-N 2.85Å; A133-G136 PolarHBondContact O-N 3.31Å; A133-G136 VanDerWaalsContact O-N 3.08Å
134Q94.9Very high95.2Very high156 Ų15647 Ų4773%0.72929%0.286SS*.THydrogen-bonded Turntrans-63.6-25.8175-58.2-55.9-49.200112.7A130 L131 F132A130-Q134 PolarHBondContact O-NE2 3.47Å; L131-Q134 WeakPolarHBondContact O-CB 3.43Å; L131-Q134 PolarHBondContact O-N 3.16Å; F132-Q134 PolarHBondContact O-N 3.27Å
135Y95Very high95Very high91 Ų9148.3 Ų48.336%0.35729%0.294SS..THydrogen-bonded Turntrans-99.36.8177.6-60.9-85.1000112.4I49 E50 L131 F132 A133 I137I49-Y135 HydrophobicContact CG2-CD2 4.2Å; I49-Y135 HydrophobicContact CG2-CE2 4.16Å; E50-Y135 VanDerWaalsContact CB-OH 3.3Å; E50-Y135 WeakPolarHBondContact CB-OH 3.47Å; E50-Y135 HydrophobicContact CG-CE1 4.2Å; E50-Y135 WeakPolarHBondContact CG-OH 3.29Å; L131-Y135 WeakPolarHBondContact O-CD2 3.45Å; F132-Y135 PolarHBondContact O-N 3.01Å; A133-Y135 PolarHBondContact O-N 2.85Å; Y135-I137 PolarHBondContact O-N 2.98Å
136G94Very high94.3Very high71 Ų7150.2 Ų50.273%0.73230%0.302SS*.THydrogen-bonded Turntrans70.318.7-177.100000114F132 A133F132-G136 PolarHBondContact O-N 3.22Å; A133-G136 PolarHBondContact O-N 3.31Å; A133-G136 VanDerWaalsContact O-N 3.08Å
137I95.4Very high93.8Very high10 Ų1050.7 Ų50.75%0.05130%0.3CS..  trans-100.4128.7-176.7-60177.3000109.6S53 Q56 F132 Y135 I171S53-I137 VanDerWaalsContact CB-CD1 3.48Å; Q56-I137 HydrophobicContact CB-CD1 4.34Å; Q56-I137 VanDerWaalsContact OE1-CG1 3.28Å; F132-I137 CarbonylContact C-O 3.31Å; F132-I137 HydrophobicContact CB-CB 4.29Å; F132-I137 HydrophobicContact CD1-CB 4.03Å; F132-I137 HydrophobicContact CD1-CD1 4.26Å; F132-I137 HydrophobicContact CD1-CG2 3.99Å; F132-I137 PolarHBondContact O-N 3.17Å; F132-I137 VanDerWaalsContact O-N 3.12Å; Y135-I137 PolarHBondContact O-N 2.98Å; I137-I171 HydrophobicContact CG2-CB 4.48Å; I137-I171 HydrophobicContact CG2-CD1 3.67Å; I137-I171 HydrophobicContact CG2-CG1 3.76Å
138S96.8Very high93.6Very high76 Ų7651.5 Ų51.553%0.53130%0.302SS..  trans-86.2146.7173-66.70000110.8V170 I171S138-V170 CarbonylContact O-C 3.57Å; S138-V170 WeakPolarHBondContact O-CA 3.48Å; S138-I171 PolarHBondContact O-N 3.4Å
139V97.3Very high92.9Very high24 Ų2452 Ų5215%0.14531%0.305CS..EExtended strand (participates in β ladder)trans-123.5152.2179.1-68.50000110.9M125 E129 F132 I171 I173M125-V139 HydrophobicContact CE-CB 3.88Å; M125-V139 HydrophobicContact CE-CG2 3.38Å; E129-V139 HydrophobicContact CB-CG2 3.96Å; E129-V139 HydrophobicContact CG-CG2 4.23Å; F132-V139 HydrophobicContact CB-CG1 3.8Å; F132-V139 HydrophobicContact CD2-CG1 3.4Å; F132-V139 HydrophobicContact CE2-CG1 4.07Å; F132-V139 HydrophobicContact CG-CG1 3.67Å; V139-I171 VanDerWaalsContact CA-O 3.29Å; V139-I171 WeakPolarHBondContact CA-O 3.3Å; V139-I171 HydrophobicContact CG1-CB 4.27Å; V139-I173 HydrophobicContact CB-CD1 3.89Å; V139-I173 HydrophobicContact CB-CG1 4.31Å; V139-I173 HydrophobicContact CG1-CD1 3.82Å; V139-I173 HydrophobicContact CG1-CG1 4.37Å; V139-I173 HydrophobicContact CG2-CD1 4.44Å
140A97.5Very high92.3Very high21 Ų2149.4 Ų49.417%0.17430%0.304CS..EExtended strand (participates in β ladder)trans-131.6131.7176.100000110.9L165 V170 I171 I173A140-L165 HydrophobicContact CB-CD1 3.79Å; A140-L165 HydrophobicContact CB-CD2 3.84Å; A140-L165 HydrophobicContact CB-CG 4.45Å; A140-V170 HydrophobicContact CB-CG1 3.71Å; A140-I171 PolarHBondContact N-O 2.86Å; A140-I173 PolarHBondContact O-N 2.96Å
141Q97.2Very high91.9Very high84 Ų8450.1 Ų50.139%0.39330%0.299SS..EExtended strand (participates in β ladder)trans-83.4133.6177-176.617788.900111.2M121 M125 L143M121-Q141 HydrophobicContact CE-CG 4.35Å; M121-Q141 VanDerWaalsContact CE-NE2 3.31Å; M125-Q141 HydrophobicContact CE-CB 4.17Å; M125-Q141 HydrophobicContact CG-CB 4.24Å; M125-Q141 HydrophobicContact SD-CB 3.75Å; M125-Q141 HydrophobicContact SD-CG 4.29Å; Q141-L143 HydrophobicContact CG-CD2 4.03Å; Q141-L143 HydrophobicContact CG-CG 4.1Å
142V95.5Very high91.6Very high25 Ų2553 Ų5315%0.15232%0.315CS..EExtended strand (participates in β ladder)trans-135117.1171.11790000109.6L144 L158 L162 I173 L174 N175V142-L144 HydrophobicContact CG1-CD2 3.77Å; V142-L144 HydrophobicContact CG1-CG 4.16Å; V142-L158 HydrophobicContact CG1-CD1 3.91Å; V142-L162 HydrophobicContact CG2-CD2 4.37Å; V142-I173 PolarHBondContact N-O 2.77Å; V142-L174 HydrophobicContact CB-CD1 4.11Å; V142-L174 HydrophobicContact CB-CG 3.94Å; V142-L174 HydrophobicContact CG1-CG 4.28Å; V142-L174 VanDerWaalsContact O-CA 3.28Å; V142-L174 WeakPolarHBondContact O-CA 3.23Å; V142-N175 PolarHBondContact O-N 2.87Å
143L93.9Very high91.4Very high55 Ų5559.9 Ų59.929%0.28835%0.347SS..EExtended strand (participates in β ladder)trans-105.1125.2-179.3-57.3-178.4000110.5M121 Q141 N175 N177M121-L143 HydrophobicContact CG-CD1 4.37Å; M121-L143 HydrophobicContact CG-CD2 3.8Å; M121-L143 HydrophobicContact SD-CD2 4.07Å; Q141-L143 HydrophobicContact CG-CD2 4.03Å; Q141-L143 HydrophobicContact CG-CG 4.1Å; L143-N175 WeakPolarHBondContact CA-O 3.29Å; L143-N175 HydrophobicContact CD2-CB 4.07Å; L143-N177 HydrophobicContact CB-CB 3.88Å
144L91.1Very high91.3Very high8 Ų863 Ų634%0.04235%0.346CS..EExtended strand (participates in β ladder)trans-117.3144.4-170.1-60.5179.5000112.8V142 D148 I149 L158 L174 N175 G176 N177 L194V142-L144 HydrophobicContact CG1-CD2 3.77Å; V142-L144 HydrophobicContact CG1-CG 4.16Å; L144-D148 HydrophobicContact CD2-CB 4.15Å; L144-I149 HydrophobicContact CD1-CD1 4.01Å; L144-I149 HydrophobicContact CD1-CG1 4.26Å; L144-L158 HydrophobicContact CD1-CD1 4.35Å; L144-L158 HydrophobicContact CD1-CD2 3.67Å; L144-L158 HydrophobicContact CD2-CD1 3.84Å; L144-L158 HydrophobicContact CD2-CD2 3.9Å; L144-L158 HydrophobicContact CD2-CG 4.48Å; L144-L158 HydrophobicContact CG-CD2 4.47Å; L144-L174 HydrophobicContact CD1-CD2 3.68Å; L144-L174 HydrophobicContact CD1-CG 4.45Å; L144-N175 PolarHBondContact N-O 3.14Å; L144-G176 CarbonylContact O-C 3.58Å; L144-G176 WeakPolarHBondContact O-CA 3.33Å; L144-N177 PolarHBondContact O-N 3.34Å; L144-L194 HydrophobicContact CD1-CD1 3.92Å
145T87.3Confident91.1Very high27 Ų2757.3 Ų57.317%0.16632%0.318CS..  trans-111.1167.8166.9650000110.5P147 D148 N177 V180T145-P147 WeakPolarHBondContact OG1-CD 3.44Å; T145-D148 WeakPolarHBondContact CA-OD2 3.46Å; T145-D148 WeakPolarHBondContact CB-OD2 3.34Å; T145-D148 PolarHBondContact N-OD2 3.34Å; T145-D148 WeakPolarHBondContact O-CB 3.42Å; T145-D148 PolarHBondContact O-N 2.86Å; T145-D148 PolarHBondContact OG1-OD2 2.93Å; T145-N177 HydrophobicContact CG2-CB 3.88Å; T145-V180 HydrophobicContact CG2-CG2 3.99Å
146K79.6Confident91Very high60 Ų6057.3 Ų57.326%0.26132%0.324SS..Hα-helixtrans-54.1-44.2-179.6-171.4177.8-172.3170.40114D148 I149 A150 D186 L188K146-D148 PolarHBondContact O-N 3.27Å; K146-I149 PolarHBondContact O-N 3.29Å; K146-A150 VanDerWaalsContact O-CB 3.24Å; K146-A150 WeakPolarHBondContact O-CB 3.38Å; K146-A150 PolarHBondContact O-N 2.96Å; K146-D186 WeakPolarHBondContact CD-O 3.47Å; K146-D186 PolarHBondContact NZ-O 3.31Å; K146-D186 IonicContact NZ-OD2 2.88Å; K146-D186 PolarHBondContact NZ-OD2 2.89Å; K146-L188 HydrophobicContact CB-CB 4.14Å; K146-L188 HydrophobicContact CB-CD1 4.05Å; K146-L188 HydrophobicContact CG-CD1 4.28Å
147P83.6Confident91.1Very high67 Ų6758.7 Ų58.744%0.43531%0.314SS..Hα-helixtrans-58.4-31175.6-27.236.2000114.6T145 I149 A150 N151T145-P147 WeakPolarHBondContact OG1-CD 3.44Å; P147-I149 PolarHBondContact O-N 3.25Å; P147-A150 PolarHBondContact O-N 3.47Å; P147-N151 VanDerWaalsContact O-CB 3.23Å; P147-N151 WeakPolarHBondContact O-CB 3.47Å; P147-N151 PolarHBondContact O-N 2.85Å
148D86.7Confident91.1Very high34 Ų3459 Ų5918%0.18232%0.315CS..Hα-helixtrans-70.1-21.4-174.6-53.3-39000112.7L144 T145 K146 R154 R155L144-D148 HydrophobicContact CD2-CB 4.15Å; T145-D148 WeakPolarHBondContact CA-OD2 3.46Å; T145-D148 WeakPolarHBondContact CB-OD2 3.34Å; T145-D148 PolarHBondContact N-OD2 3.34Å; T145-D148 WeakPolarHBondContact O-CB 3.42Å; T145-D148 PolarHBondContact O-N 2.86Å; T145-D148 PolarHBondContact OG1-OD2 2.93Å; K146-D148 PolarHBondContact O-N 3.27Å; D148-R154 CarbonylContact O-C 3.52Å; D148-R154 IonicContact OD1-CZ 3.31Å; D148-R154 IonicContact OD1-NH1 4Å; D148-R154 PolarHBondContact OD1-NH1 2.91Å; D148-R155 WeakPolarHBondContact O-CA 3.32Å; D148-R155 PolarHBondContact O-N 2.85Å
149I82.5Confident91Very high11 Ų1156.6 Ų56.66%0.05630%0.297CS..Hα-helixtrans-104.6-31.9175.6-55.8179000111.5L144 K146 P147 R155 L158 L188 L194 R197L144-I149 HydrophobicContact CD1-CD1 4.01Å; L144-I149 HydrophobicContact CD1-CG1 4.26Å; K146-I149 PolarHBondContact O-N 3.29Å; P147-I149 PolarHBondContact O-N 3.25Å; I149-R155 WeakPolarHBondContact O-CD 3.39Å; I149-L158 HydrophobicContact CG1-CD2 4.33Å; I149-L188 HydrophobicContact CD1-CD1 3.96Å; I149-L188 HydrophobicContact CD1-CD2 4.12Å; I149-L194 HydrophobicContact CD1-CD1 3.34Å; I149-R197 HydrophobicContact CG2-CB 3.86Å
150A83.2Confident91Very high62 Ų6259.2 Ų59.251%0.51232%0.317SS..Hα-helixtrans-79.1-30.2-176.400000113.5K146 P147K146-A150 VanDerWaalsContact O-CB 3.24Å; K146-A150 WeakPolarHBondContact O-CB 3.38Å; K146-A150 PolarHBondContact O-N 2.96Å; P147-A150 PolarHBondContact O-N 3.47Å
151N89.4Confident91Very high72 Ų7261.4 Ų61.439%0.38533%0.328SS..SBendtrans-86.1130.8176175.6-82.1000110P147 E153 R154 R155P147-N151 VanDerWaalsContact O-CB 3.23Å; P147-N151 WeakPolarHBondContact O-CB 3.47Å; P147-N151 PolarHBondContact O-N 2.85Å; N151-E153 WeakPolarHBondContact OD1-CB 3.24Å; N151-E153 PolarHBondContact OD1-N 2.81Å; N151-E153 VanDerWaalsContact OD1-N 3.12Å; N151-R154 HydrophobicContact CB-CB 4.25Å; N151-R154 HydrophobicContact CB-CG 4.25Å; N151-R154 PolarHBondContact O-N 3.43Å; N151-R154 PolarHBondContact OD1-N 3.33Å; N151-R155 WeakPolarHBondContact O-CB 3.45Å; N151-R155 PolarHBondContact O-N 3.13Å
152D89.7Confident91Very high101 Ų10157.5 Ų57.554%0.5431%0.31SS..Hα-helixtrans-64.4-44.1-173.2-64.4-32.6000113R155 D156D152-R155 VanDerWaalsContact CG-NH2 3.28Å; D152-R155 PolarHBondContact O-N 3.13Å; D152-R155 IonicContact OD1-CZ 3.31Å; D152-R155 IonicContact OD1-NE 2.61Å; D152-R155 IonicContact OD1-NH2 2.77Å; D152-R155 PolarHBondContact OD1-NH2 2.87Å; D152-D156 PolarHBondContact O-N 3.34Å
153E93.5Very high91.1Very high143 Ų14358.8 Ų58.867%0.66832%0.316SS*.Hα-helixtrans-62.6-48.2178.7-176.9-175.7-17400111.6N151 R155 D156 I157N151-E153 WeakPolarHBondContact OD1-CB 3.24Å; N151-E153 PolarHBondContact OD1-N 2.81Å; N151-E153 VanDerWaalsContact OD1-N 3.12Å; E153-R155 VanDerWaalsContact C-N 3.3Å; E153-R155 PolarHBondContact O-N 3.15Å; E153-D156 PolarHBondContact O-N 2.82Å; E153-I157 HydrophobicContact CG-CD1 4.28Å; E153-I157 WeakPolarHBondContact O-CG1 3.32Å; E153-I157 PolarHBondContact O-N 2.98Å
154R92.8Very high91.2Very high124 Ų12463.5 Ų63.547%0.46833%0.331SS..Hα-helixtrans-62.7-38.9177.3-67.1-174.1-179.7-152.40.7112.2D148 N151 I157 L158D148-R154 CarbonylContact O-C 3.52Å; D148-R154 IonicContact OD1-CZ 3.31Å; D148-R154 IonicContact OD1-NH1 4Å; D148-R154 PolarHBondContact OD1-NH1 2.91Å; N151-R154 HydrophobicContact CB-CB 4.25Å; N151-R154 HydrophobicContact CB-CG 4.25Å; N151-R154 PolarHBondContact O-N 3.43Å; N151-R154 PolarHBondContact OD1-N 3.33Å; R154-I157 PolarHBondContact O-N 3.17Å; R154-L158 WeakPolarHBondContact O-CB 3.22Å; R154-L158 PolarHBondContact O-N 3.4Å
155R91.8Very high91.6Very high38 Ų3864.5 Ų64.514%0.14334%0.337CS..Hα-helixtrans-64.8-42.3177.8178.4177.948.963.12.8110.9D148 I149 N151 D152 E153 L158 V159 A201D148-R155 WeakPolarHBondContact O-CA 3.32Å; D148-R155 PolarHBondContact O-N 2.85Å; I149-R155 WeakPolarHBondContact O-CD 3.39Å; N151-R155 WeakPolarHBondContact O-CB 3.45Å; N151-R155 PolarHBondContact O-N 3.13Å; D152-R155 VanDerWaalsContact CG-NH2 3.28Å; D152-R155 PolarHBondContact O-N 3.13Å; D152-R155 IonicContact OD1-CZ 3.31Å; D152-R155 IonicContact OD1-NE 2.61Å; D152-R155 IonicContact OD1-NH2 2.77Å; D152-R155 PolarHBondContact OD1-NH2 2.87Å; E153-R155 VanDerWaalsContact C-N 3.3Å; E153-R155 PolarHBondContact O-N 3.15Å; R155-L158 WeakPolarHBondContact O-CB 3.46Å; R155-L158 PolarHBondContact O-N 2.95Å; R155-V159 VanDerWaalsContact O-CG2 3.27Å; R155-V159 WeakPolarHBondContact O-CG2 3.41Å; R155-V159 PolarHBondContact O-N 3.03Å; R155-A201 HydrophobicContact CG-CB 4.04Å
156D92.9Very high92Very high91 Ų9164.1 Ų64.149%0.48733%0.333SS..Hα-helixtrans-67.1-37.8178.6-66.5-12.6000111.4D152 E153 V159 S160D152-D156 PolarHBondContact O-N 3.34Å; E153-D156 PolarHBondContact O-N 2.82Å; D156-V159 PolarHBondContact O-N 3.22Å; D156-S160 WeakPolarHBondContact O-CB 3.49Å; D156-S160 PolarHBondContact O-N 3.45Å
157I95.4Very high92.7Very high100 Ų10066.4 Ų66.451%0.51335%0.353SS..Hα-helixtrans-62.1-45.2171.5-66.6165.5000111.1E153 R154 S160 T161E153-I157 HydrophobicContact CG-CD1 4.28Å; E153-I157 WeakPolarHBondContact O-CG1 3.32Å; E153-I157 PolarHBondContact O-N 2.98Å; R154-I157 PolarHBondContact O-N 3.17Å; I157-S160 PolarHBondContact O-N 3.24Å; I157-T161 WeakPolarHBondContact O-CB 3.22Å; I157-T161 PolarHBondContact O-N 3.49Å; I157-T161 PolarHBondContact O-OG1 2.92Å
158L95Very high93.2Very high15 Ų1567.9 Ų67.98%0.07936%0.356CS..Hα-helixtrans-58.9-50.5176.3171.862.2000111V142 L144 I149 R154 R155 S160 T161 L162V142-L158 HydrophobicContact CG1-CD1 3.91Å; L144-L158 HydrophobicContact CD1-CD1 4.35Å; L144-L158 HydrophobicContact CD1-CD2 3.67Å; L144-L158 HydrophobicContact CD2-CD1 3.84Å; L144-L158 HydrophobicContact CD2-CD2 3.9Å; L144-L158 HydrophobicContact CD2-CG 4.48Å; L144-L158 HydrophobicContact CG-CD2 4.47Å; I149-L158 HydrophobicContact CG1-CD2 4.33Å; R154-L158 WeakPolarHBondContact O-CB 3.22Å; R154-L158 PolarHBondContact O-N 3.4Å; R155-L158 WeakPolarHBondContact O-CB 3.46Å; R155-L158 PolarHBondContact O-N 2.95Å; L158-S160 PolarHBondContact O-N 2.95Å; L158-T161 WeakPolarHBondContact O-CB 3.45Å; L158-T161 PolarHBondContact O-N 3.29Å; L158-T161 VanDerWaalsContact O-N 3.14Å; L158-L162 HydrophobicContact CD1-CD1 3.96Å; L158-L162 HydrophobicContact CD1-CD2 4.46Å; L158-L162 HydrophobicContact CD1-CG 4.04Å; L158-L162 HydrophobicContact CG-CD1 4.08Å; L158-L162 HydrophobicContact CG-CG 4.5Å; L158-L162 WeakPolarHBondContact O-CG 3.26Å; L158-L162 PolarHBondContact O-N 2.59Å
159V95.7Very high93.6Very high26 Ų2673.6 Ų73.616%0.15838%0.379CS..Hα-helixtrans-58.8-48179.2172.40000110.5R155 D156 T161 L162 D163 A201 I202R155-V159 VanDerWaalsContact O-CG2 3.27Å; R155-V159 WeakPolarHBondContact O-CG2 3.41Å; R155-V159 PolarHBondContact O-N 3.03Å; D156-V159 PolarHBondContact O-N 3.22Å; V159-T161 VanDerWaalsContact C-N 3.25Å; V159-T161 PolarHBondContact O-N 2.93Å; V159-L162 PolarHBondContact O-N 3.4Å; V159-L162 VanDerWaalsContact O-N 3.15Å; V159-D163 PolarHBondContact O-N 2.77Å; V159-A201 HydrophobicContact CG2-CB 4.32Å; V159-A201 WeakPolarHBondContact CG2-O 3.15Å; V159-I202 HydrophobicContact CG2-CG2 4.23Å
160S96.4Very high94.3Very high80 Ų8074.2 Ų74.256%0.55938%0.384SS*.Hα-helixtrans-59.1-36.7176.9-177.10000112.8D156 I157 L158 Y164D156-S160 WeakPolarHBondContact O-CB 3.49Å; D156-S160 PolarHBondContact O-N 3.45Å; I157-S160 PolarHBondContact O-N 3.24Å; L158-S160 PolarHBondContact O-N 2.95Å; S160-Y164 PolarHBondContact O-N 3.47Å
161T97.5Very high94.9Very high67 Ų6771.4 Ų71.441%0.41136%0.36SS..Hα-helixtrans-67.6-45.2177.2-57.20000110.8I157 L158 V159 Y164 L165I157-T161 WeakPolarHBondContact O-CB 3.22Å; I157-T161 PolarHBondContact O-N 3.49Å; I157-T161 PolarHBondContact O-OG1 2.92Å; L158-T161 WeakPolarHBondContact O-CB 3.45Å; L158-T161 PolarHBondContact O-N 3.29Å; L158-T161 VanDerWaalsContact O-N 3.14Å; V159-T161 VanDerWaalsContact C-N 3.25Å; V159-T161 PolarHBondContact O-N 2.93Å; T161-Y164 PolarHBondContact O-N 3.04Å; T161-L165 HydrophobicContact CG2-CD1 4.47Å; T161-L165 WeakPolarHBondContact O-CG 3.43Å; T161-L165 PolarHBondContact O-N 3.34Å; T161-L165 VanDerWaalsContact O-N 3.12Å
162L97.5Very high95.4Very high1 Ų168 Ų681%0.00534%0.341CS..Hα-helixtrans-65.9-43.4179.2-64.3176.3000111.7V142 L158 V159 Y164 L165 I166 P172 L174 L198 I202V142-L162 HydrophobicContact CG2-CD2 4.37Å; L158-L162 HydrophobicContact CD1-CD1 3.96Å; L158-L162 HydrophobicContact CD1-CD2 4.46Å; L158-L162 HydrophobicContact CD1-CG 4.04Å; L158-L162 HydrophobicContact CG-CD1 4.08Å; L158-L162 HydrophobicContact CG-CG 4.5Å; L158-L162 WeakPolarHBondContact O-CG 3.26Å; L158-L162 PolarHBondContact O-N 2.59Å; V159-L162 PolarHBondContact O-N 3.4Å; V159-L162 VanDerWaalsContact O-N 3.15Å; L162-Y164 VanDerWaalsContact C-N 3.27Å; L162-Y164 PolarHBondContact O-N 2.88Å; L162-L165 HydrophobicContact CD2-CD1 4.48Å; L162-L165 PolarHBondContact O-N 2.88Å; L162-I166 WeakPolarHBondContact O-CD1 3.41Å; L162-I166 WeakPolarHBondContact O-CG1 3.4Å; L162-I166 PolarHBondContact O-N 2.85Å; L162-P172 HydrophobicContact CD2-CB 3.58Å; L162-P172 HydrophobicContact CD2-CG 3.93Å; L162-L174 HydrophobicContact CD1-CD2 4.17Å; L162-L174 HydrophobicContact CD2-CD1 3.92Å; L162-L174 HydrophobicContact CD2-CD2 4.38Å; L162-L198 HydrophobicContact CD1-CD1 3.79Å; L162-I202 HydrophobicContact CD1-CG2 3.79Å
163D97.1Very high95.7Very high53 Ų5363.1 Ų63.128%0.28332%0.316SS..Hα-helixtrans-60.1-38.9177.2-78.2-30.7000111.9R22 V159 I166 T167R22-D163 IonicContact CZ-OD1 3.41Å; R22-D163 VanDerWaalsContact CZ-OD1 3.24Å; R22-D163 IonicContact NH1-OD1 2.76Å; R22-D163 PolarHBondContact NH1-OD1 3.29Å; R22-D163 IonicContact NH2-OD1 3.24Å; R22-D163 PolarHBondContact NH2-OD1 3.36Å; V159-D163 PolarHBondContact O-N 2.77Å; D163-I166 PolarHBondContact O-N 3.24Å; D163-T167 WeakPolarHBondContact O-CB 3.41Å; D163-T167 PolarHBondContact O-N 3.4Å; D163-T167 PolarHBondContact O-OG1 3.14Å
164Y97.7Very high95.8Very high153 Ų15356.3 Ų56.360%0.628%0.284SS*.Hα-helixtrans-66.5-43.6176-172-106.6000112.4S160 T161 L162 I166 T167 L168S160-Y164 PolarHBondContact O-N 3.47Å; T161-Y164 PolarHBondContact O-N 3.04Å; L162-Y164 VanDerWaalsContact C-N 3.27Å; L162-Y164 PolarHBondContact O-N 2.88Å; Y164-I166 PolarHBondContact O-N 2.78Å; Y164-T167 WeakPolarHBondContact O-CB 3.4Å; Y164-T167 PolarHBondContact O-N 3.35Å; Y164-L168 HydrophobicContact CD1-CD1 4.14Å; Y164-L168 HydrophobicContact CE1-CD1 3.59Å; Y164-L168 HydrophobicContact CE1-CG 4.47Å; Y164-L168 PolarHBondContact O-N 2.89Å
165L97.7Very high95.8Very high30 Ų3050.7 Ų50.716%0.15726%0.263CS..Hα-helixtrans-60.1-45.3175.3-70171.5000111.7A140 T161 L162 T167 L168 K169 V170 P172A140-L165 HydrophobicContact CB-CD1 3.79Å; A140-L165 HydrophobicContact CB-CD2 3.84Å; A140-L165 HydrophobicContact CB-CG 4.45Å; T161-L165 HydrophobicContact CG2-CD1 4.47Å; T161-L165 WeakPolarHBondContact O-CG 3.43Å; T161-L165 PolarHBondContact O-N 3.34Å; T161-L165 VanDerWaalsContact O-N 3.12Å; L162-L165 HydrophobicContact CD2-CD1 4.48Å; L162-L165 PolarHBondContact O-N 2.88Å; L165-T167 VanDerWaalsContact C-N 3.32Å; L165-T167 PolarHBondContact O-N 2.89Å; L165-L168 CarbonylContact O-C 3.58Å; L165-L168 PolarHBondContact O-N 2.9Å; L165-L168 VanDerWaalsContact O-N 3.11Å; L165-K169 PolarHBondContact O-N 3.47Å; L165-V170 HydrophobicContact CB-CB 4.28Å; L165-V170 HydrophobicContact CD2-CB 4.26Å; L165-V170 HydrophobicContact CD2-CG1 4.12Å; L165-V170 WeakPolarHBondContact O-CB 3.26Å; L165-V170 PolarHBondContact O-N 3.34Å; L165-P172 HydrophobicContact CB-CG 4.09Å; L165-P172 HydrophobicContact CD1-CB 4.27Å; L165-P172 HydrophobicContact CD1-CG 4.17Å
166I95.6Very high95.7Very high18 Ų1849.3 Ų49.39%0.09226%0.261CS..Hα-helixtrans-63.2-40.4178.8-67.2161.9000110.9E61 I63 L162 D163 Y164 L168 K169 P172E61-I166 HydrophobicContact CB-CG2 3.78Å; E61-I166 HydrophobicContact CG-CG2 3.54Å; I63-I166 HydrophobicContact CD1-CD1 3.74Å; I63-I166 HydrophobicContact CG1-CD1 4.04Å; L162-I166 WeakPolarHBondContact O-CD1 3.41Å; L162-I166 WeakPolarHBondContact O-CG1 3.4Å; L162-I166 PolarHBondContact O-N 2.85Å; D163-I166 PolarHBondContact O-N 3.24Å; Y164-I166 PolarHBondContact O-N 2.78Å; I166-L168 PolarHBondContact O-N 3.29Å; I166-K169 WeakPolarHBondContact O-CA 3.21Å; I166-K169 PolarHBondContact O-N 2.91Å; I166-P172 HydrophobicContact CG1-CG 4.27Å
167T94.9Very high95.5Very high109 Ų10947 Ų4767%0.66925%0.248SC*.Hα-helixtrans-58.2-34.8175.5-59.50000111.7D163 Y164 L165 K169D163-T167 WeakPolarHBondContact O-CB 3.41Å; D163-T167 PolarHBondContact O-N 3.4Å; D163-T167 PolarHBondContact O-OG1 3.14Å; Y164-T167 WeakPolarHBondContact O-CB 3.4Å; Y164-T167 PolarHBondContact O-N 3.35Å; L165-T167 VanDerWaalsContact C-N 3.32Å; L165-T167 PolarHBondContact O-N 2.89Å; T167-K169 VanDerWaalsContact C-N 3.26Å; T167-K169 PolarHBondContact O-N 3.33Å
168L95.5Very high94.9Very high98 Ų9844.7 Ų44.751%0.51324%0.237SC..THydrogen-bonded Turntrans-84.57.6175.3-63.7177.9000113.7Y164 L165 I166 V170Y164-L168 HydrophobicContact CD1-CD1 4.14Å; Y164-L168 HydrophobicContact CE1-CD1 3.59Å; Y164-L168 HydrophobicContact CE1-CG 4.47Å; Y164-L168 PolarHBondContact O-N 2.89Å; L165-L168 CarbonylContact O-C 3.58Å; L165-L168 PolarHBondContact O-N 2.9Å; L165-L168 VanDerWaalsContact O-N 3.11Å; I166-L168 PolarHBondContact O-N 3.29Å; L168-V170 HydrophobicContact CB-CG2 4.01Å; L168-V170 PolarHBondContact O-N 2.97Å
169K93.4Very high94.4Very high154 Ų15445.3 Ų45.367%0.6725%0.245SC*.THydrogen-bonded Turntrans55.929.5-173.2-57.1-172.1174.8-170.50113.7Q56 L165 I166 T167Q56-K169 PolarHBondContact NE2-O 3.47Å; L165-K169 PolarHBondContact O-N 3.47Å; I166-K169 WeakPolarHBondContact O-CA 3.21Å; I166-K169 PolarHBondContact O-N 2.91Å; T167-K169 VanDerWaalsContact C-N 3.26Å; T167-K169 PolarHBondContact O-N 3.33Å
170V97Very high93.9Very high24 Ų2448.7 Ų48.715%0.14527%0.265CS..  trans-89.3127.7172-178.80000108.3S138 A140 L165 L168 P172S138-V170 CarbonylContact O-C 3.57Å; S138-V170 WeakPolarHBondContact O-CA 3.48Å; A140-V170 HydrophobicContact CB-CG1 3.71Å; L165-V170 HydrophobicContact CB-CB 4.28Å; L165-V170 HydrophobicContact CD2-CB 4.26Å; L165-V170 HydrophobicContact CD2-CG1 4.12Å; L165-V170 WeakPolarHBondContact O-CB 3.26Å; L165-V170 PolarHBondContact O-N 3.34Å; L168-V170 HydrophobicContact CB-CG2 4.01Å; L168-V170 PolarHBondContact O-N 2.97Å; V170-P172 WeakPolarHBondContact O-CD 3.14Å
171I97.7Very high92.9Very high2 Ų245.7 Ų45.71%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-80.8115.9177.1-64.1-175.2000109.4I52 I64 F132 I137 S138 V139 A140I52-I171 HydrophobicContact CG2-CD1 3.78Å; I64-I171 HydrophobicContact CD1-CG2 3.91Å; I64-I171 HydrophobicContact CG1-CG2 4.03Å; F132-I171 HydrophobicContact CD1-CD1 4.19Å; F132-I171 HydrophobicContact CE1-CD1 3.62Å; F132-I171 HydrophobicContact CZ-CD1 4.06Å; I137-I171 HydrophobicContact CG2-CB 4.48Å; I137-I171 HydrophobicContact CG2-CD1 3.67Å; I137-I171 HydrophobicContact CG2-CG1 3.76Å; S138-I171 PolarHBondContact O-N 3.4Å; V139-I171 VanDerWaalsContact CA-O 3.29Å; V139-I171 WeakPolarHBondContact CA-O 3.3Å; V139-I171 HydrophobicContact CG1-CB 4.27Å; A140-I171 PolarHBondContact N-O 2.86Å
172P98.3Very high91.5Very high0 Ų046.3 Ų46.30%025%0.25CS..EExtended strand (participates in β ladder)trans-75.1129.6174.7-13.932.2000110.3I63 I64 L162 L165 I166 V170 L174I63-P172 HydrophobicContact CG1-CG 4.15Å; I63-P172 HydrophobicContact CG2-CB 4.33Å; I64-P172 PolarHBondContact N-O 3.33Å; L162-P172 HydrophobicContact CD2-CB 3.58Å; L162-P172 HydrophobicContact CD2-CG 3.93Å; L165-P172 HydrophobicContact CB-CG 4.09Å; L165-P172 HydrophobicContact CD1-CB 4.27Å; L165-P172 HydrophobicContact CD1-CG 4.17Å; I166-P172 HydrophobicContact CG1-CG 4.27Å; V170-P172 WeakPolarHBondContact O-CD 3.14Å; P172-L174 HydrophobicContact CB-CD1 3.56Å
173I97.2Very high89.6Confident0 Ų052.5 Ų52.50%028%0.279CS..EExtended strand (participates in β ladder)trans-111107.5175-54.8-175.5000108.4I64 M125 Y128 F132 V139 A140 V142I64-I173 HydrophobicContact CB-CG1 4.35Å; I64-I173 HydrophobicContact CD1-CG1 4.45Å; I64-I173 HydrophobicContact CG2-CG2 4.4Å; M125-I173 HydrophobicContact CE-CD1 4.31Å; M125-I173 HydrophobicContact SD-CB 4.45Å; M125-I173 HydrophobicContact SD-CD1 4.36Å; Y128-I173 VanDerWaalsContact CB-CD1 3.45Å; Y128-I173 HydrophobicContact CD1-CD1 3.78Å; Y128-I173 HydrophobicContact CD2-CD1 3.9Å; Y128-I173 HydrophobicContact CD2-CG2 4.19Å; Y128-I173 HydrophobicContact CE1-CD1 4.47Å; Y128-I173 HydrophobicContact CE2-CG2 4.16Å; Y128-I173 HydrophobicContact CG-CD1 3.46Å; Y128-I173 VanDerWaalsContact CG-CD1 3.46Å; F132-I173 HydrophobicContact CE2-CD1 4.37Å; V139-I173 HydrophobicContact CB-CD1 3.89Å; V139-I173 HydrophobicContact CB-CG1 4.31Å; V139-I173 HydrophobicContact CG1-CD1 3.82Å; V139-I173 HydrophobicContact CG1-CG1 4.37Å; V139-I173 HydrophobicContact CG2-CD1 4.44Å; A140-I173 PolarHBondContact O-N 2.96Å; V142-I173 PolarHBondContact N-O 2.77Å
174L95.6Very high87.3Confident0 Ų059 Ų590%031%0.308CS..EExtended strand (participates in β ladder)trans-101.4144.7-175.4-78.169.7000111I63 I64 V65 S66 V142 L144 L162 P172 L198I63-L174 HydrophobicContact CG2-CD1 3.88Å; I64-L174 PolarHBondContact O-N 3.4Å; V65-L174 CarbonylContact C-O 3.6Å; V65-L174 WeakPolarHBondContact CA-O 3.39Å; V65-L174 HydrophobicContact CG2-CB 4.38Å; S66-L174 PolarHBondContact N-O 2.79Å; V142-L174 HydrophobicContact CB-CD1 4.11Å; V142-L174 HydrophobicContact CB-CG 3.94Å; V142-L174 HydrophobicContact CG1-CG 4.28Å; V142-L174 VanDerWaalsContact O-CA 3.28Å; V142-L174 WeakPolarHBondContact O-CA 3.23Å; L144-L174 HydrophobicContact CD1-CD2 3.68Å; L144-L174 HydrophobicContact CD1-CG 4.45Å; L162-L174 HydrophobicContact CD1-CD2 4.17Å; L162-L174 HydrophobicContact CD2-CD1 3.92Å; L162-L174 HydrophobicContact CD2-CD2 4.38Å; P172-L174 HydrophobicContact CB-CD1 3.56Å; L174-L198 HydrophobicContact CD2-CD1 3.58Å; L174-L198 HydrophobicContact CD2-CD2 3.49Å; L174-L198 VanDerWaalsContact CD2-CD2 3.49Å; L174-L198 HydrophobicContact CD2-CG 4.16Å; L174-L198 HydrophobicContact CG-CD2 4.48Å
175N92.4Very high84.7Confident5 Ų553.8 Ų53.83%0.02729%0.294CS..EExtended strand (participates in β ladder)trans-151.3160169.9-166.16.7000110.3S66 A69 M121 V142 L143 L144 N191S66-N175 PolarHBondContact O-OD1 3.03Å; A69-N175 WeakPolarHBondContact CB-ND2 3.28Å; M121-N175 HydrophobicContact SD-CB 3.94Å; M121-N175 PolarHBondContact SD-ND2 2.84Å; M121-N175 VanDerWaalsContact SD-ND2 3.39Å; V142-N175 PolarHBondContact O-N 2.87Å; L143-N175 WeakPolarHBondContact CA-O 3.29Å; L143-N175 HydrophobicContact CD2-CB 4.07Å; L144-N175 PolarHBondContact N-O 3.14Å; N175-N191 PolarHBondContact OD1-ND2 3.37Å
176G89.2Confident82.1Confident10 Ų1058.3 Ų58.310%0.10332%0.318CS..EExtended strand (participates in β ladder)trans-64.6134.5169.800000111L144 D178L144-G176 CarbonylContact O-C 3.58Å; L144-G176 WeakPolarHBondContact O-CA 3.33Å; G176-D178 PolarHBondContact O-N 3.34Å
177N89.1Confident79.5Confident41 Ų4158.7 Ų58.722%0.21933%0.327CS..  trans-82.866.2175.4-162.1-10.7000111.1L143 L144 T145 A179 V180 A181L143-N177 HydrophobicContact CB-CB 3.88Å; L144-N177 PolarHBondContact O-N 3.34Å; T145-N177 HydrophobicContact CG2-CB 3.88Å; N177-A179 PolarHBondContact O-N 2.95Å; N177-A179 VanDerWaalsContact O-N 3.1Å; N177-V180 HydrophobicContact CB-CG2 4.2Å; N177-V180 PolarHBondContact O-N 2.74Å; N177-A181 PolarHBondContact O-N 3.44Å; N177-A181 VanDerWaalsContact O-N 3.12Å
178D83.6Confident77.3Confident52 Ų5254.2 Ų54.228%0.27830%0.299SS..THydrogen-bonded Turntrans-59.5-20179-79.7-24.8000112.9R114 A117 G176 V180R114-D178 WeakPolarHBondContact CG-O 3.26Å; A117-D178 HydrophobicContact CB-CB 3.51Å; G176-D178 PolarHBondContact O-N 3.34Å; D178-V180 PolarHBondContact O-N 3.15Å
179A84.2Confident75.3Confident29 Ų2950.8 Ų50.824%0.2429%0.287CS..THydrogen-bonded Turntrans-63.3-28.9178.100000112.7R114 A118 N177R114-A179 WeakPolarHBondContact CD-O 3.24Å; A118-A179 HydrophobicContact CB-CB 3.93Å; N177-A179 PolarHBondContact O-N 2.95Å; N177-A179 VanDerWaalsContact O-N 3.1Å
180V84.3Confident74.4Confident97 Ų9744.9 Ų44.959%0.58826%0.263SS*.THydrogen-bonded Turntrans-125.2-3-177.1-58.70000113.8T145 N177 D178T145-V180 HydrophobicContact CG2-CG2 3.99Å; N177-V180 HydrophobicContact CB-CG2 4.2Å; N177-V180 PolarHBondContact O-N 2.74Å; D178-V180 PolarHBondContact O-N 3.15Å
181A75.7Confident73.8Confident16 Ų1644.5 Ų44.513%0.13226%0.26CS..  trans-67.1139.6-179.300000112.7R114 N177R114-A181 PolarHBondContact NE-O 3Å; R114-A181 PolarHBondContact NH2-O 2.65Å; N177-A181 PolarHBondContact O-N 3.44Å; N177-A181 VanDerWaalsContact O-N 3.12Å
182P68.8Low73.4Confident81 Ų8144.5 Ų44.553%0.52626%0.26SS..  trans-69.9152174.7-5.118.9000112.2S185P182-S185 WeakPolarHBondContact CB-OG 3.23Å; P182-S185 WeakPolarHBondContact CG-OG 3.41Å; P182-S185 PolarHBondContact O-OG 3.21Å
183E57.6Low73Confident130 Ų13046.4 Ų46.461%0.60727%0.272SS*.SBendtrans-71.3-49.1177.8-74.2-178163.600114.1V110V110-E183 HydrophobicContact CG1-CG 4.25Å; V110-E183 WeakPolarHBondContact CG1-OE1 3.47Å; V110-E183 WeakPolarHBondContact CG2-OE1 3.46Å
184Q47.9Very low72.6Confident190 Ų19046.4 Ų46.489%0.88827%0.272SS*.SBendtrans-86.4-20.5-165.8-73.1-175.4-5.500114.3
185S43.3Very low72.5Confident43 Ų4346.4 Ų46.430%0.30127%0.272SS..SBendtrans-69.5139.6160.457.40000106.4P182 G187P182-S185 WeakPolarHBondContact CB-OG 3.23Å; P182-S185 WeakPolarHBondContact CG-OG 3.41Å; P182-S185 PolarHBondContact O-OG 3.21Å; S185-G187 VanDerWaalsContact O-CA 3.32Å; S185-G187 WeakPolarHBondContact O-CA 3.5Å; S185-G187 PolarHBondContact O-N 2.85Å
186D42.9Very low72.5Confident125 Ų12546.2 Ų46.267%0.66827%0.271SS*.  trans-54.283164.9-39.8-72000108.3K146 L188K146-D186 WeakPolarHBondContact CD-O 3.47Å; K146-D186 PolarHBondContact NZ-O 3.31Å; K146-D186 IonicContact NZ-OD2 2.88Å; K146-D186 PolarHBondContact NZ-OD2 2.89Å; D186-L188 PolarHBondContact O-N 3.36Å
187G41.6Very low72.6Confident27 Ų2749 Ų4928%0.27828%0.278SS..THydrogen-bonded Turntrans-67.6108.9-159.900000104.9S185 G189S185-G187 VanDerWaalsContact O-CA 3.32Å; S185-G187 WeakPolarHBondContact O-CA 3.5Å; S185-G187 PolarHBondContact O-N 2.85Å; G187-G189 WeakPolarHBondContact O-CA 3.36Å; G187-G189 PolarHBondContact O-N 2.83Å
188L47.2Very low72.9Confident15 Ų1547 Ų478%0.07927%0.268CS..THydrogen-bonded Turntrans3.772.9-159.4-168.187000110.3K146 I149 D186 D190 L194K146-L188 HydrophobicContact CB-CB 4.14Å; K146-L188 HydrophobicContact CB-CD1 4.05Å; K146-L188 HydrophobicContact CG-CD1 4.28Å; I149-L188 HydrophobicContact CD1-CD1 3.96Å; I149-L188 HydrophobicContact CD1-CD2 4.12Å; D186-L188 PolarHBondContact O-N 3.36Å; L188-D190 PolarHBondContact O-N 3.46Å; L188-L194 HydrophobicContact CD2-CB 3.53Å; L188-L194 HydrophobicContact CD2-CD1 3.45Å; L188-L194 VanDerWaalsContact CD2-CD1 3.45Å; L188-L194 HydrophobicContact CD2-CD2 3.93Å; L188-L194 HydrophobicContact CD2-CG 3.77Å; L188-L194 HydrophobicContact CG-CB 4.33Å
189G55Low73.4Confident26 Ų2644.6 Ų44.627%0.26825%0.254SS..  trans-42.9141.7-15900000111.5G187 T193G187-G189 WeakPolarHBondContact O-CA 3.36Å; G187-G189 PolarHBondContact O-N 2.83Å; G189-T193 WeakPolarHBondContact O-CB 3.22Å; G189-T193 PolarHBondContact O-OG1 3.06Å
190D73.6Confident73.8Confident30 Ų3044.2 Ų44.216%0.1625%0.249CC..SBendtrans20.2123.6173.7-179.541.8000117L188 D192 T193 T250 G251 S255L188-D190 PolarHBondContact O-N 3.46Å; D190-D192 CarbonylContact O-C 3.54Å; D190-D192 WeakPolarHBondContact O-CA 3.26Å; D190-D192 PolarHBondContact O-N 3.15Å; D190-T193 PolarHBondContact O-N 3.3Å; D190-T250 PolarHBondContact OD1-OG1 3.28Å; D190-T250 VanDerWaalsContact OD1-OG1 3.07Å; D190-G251 WeakPolarHBondContact OD2-CA 3.41Å; D190-S255 PolarHBondContact OD2-OG 3.16Å
191N85.6Confident74.2Confident16 Ų1640.1 Ų40.19%0.08623%0.226CC..Hα-helixtrans-46.6-17.9-173-74.7-2.4000117.3V65 S66 S67 N175 L194 A195V65-N191 HydrophobicContact CG1-CB 4.19Å; S66-N191 PolarHBondContact O-ND2 3.49Å; S67-N191 WeakPolarHBondContact CA-ND2 3.22Å; S67-N191 WeakPolarHBondContact OG-CB 3.46Å; S67-N191 PolarHBondContact OG-ND2 2.8Å; N175-N191 PolarHBondContact OD1-ND2 3.37Å; N191-L194 PolarHBondContact O-N 3.34Å; N191-A195 WeakPolarHBondContact O-CB 3.31Å; N191-A195 PolarHBondContact O-N 3.28Å
192D88.4Confident75Confident2 Ų239.6 Ų39.61%0.01122%0.221CC..Hα-helixtrans-54-46.2163.4-63.2-25.8000112.5K26 D190 A195 S196 S255 K256 A259K26-D192 WeakPolarHBondContact CD-OD1 3.39Å; K26-D192 WeakPolarHBondContact CE-OD1 3.39Å; K26-D192 IonicContact NZ-OD1 3.59Å; K26-D192 PolarHBondContact NZ-OD1 3.23Å; K26-D192 IonicContact NZ-OD2 2.65Å; D190-D192 CarbonylContact O-C 3.54Å; D190-D192 WeakPolarHBondContact O-CA 3.26Å; D190-D192 PolarHBondContact O-N 3.15Å; D192-A195 PolarHBondContact O-N 3.36Å; D192-S196 PolarHBondContact O-N 2.82Å; D192-S196 PolarHBondContact O-OG 2.94Å; D192-S196 VanDerWaalsContact O-OG 3.1Å; D192-S255 PolarHBondContact OD2-OG 2.97Å; D192-K256 WeakPolarHBondContact OD2-CG 3.4Å; D192-K256 IonicContact OD2-NZ 3.26Å; D192-K256 PolarHBondContact OD2-NZ 3.13Å; D192-A259 HydrophobicContact CB-CB 4.07Å; D192-A259 WeakPolarHBondContact O-CB 3.25Å
193T89Confident76.1Confident40 Ų4044.1 Ų44.125%0.24523%0.232CC..Hα-helixtrans-70.1-37.9175.8-46.50000112G189 D190 A195 S196 R197G189-T193 WeakPolarHBondContact O-CB 3.22Å; G189-T193 PolarHBondContact O-OG1 3.06Å; D190-T193 PolarHBondContact O-N 3.3Å; T193-A195 VanDerWaalsContact C-N 3.35Å; T193-S196 VanDerWaalsContact CA-OG 3.31Å; T193-S196 WeakPolarHBondContact CA-OG 3.39Å; T193-S196 PolarHBondContact O-OG 3.49Å; T193-R197 HydrophobicContact CG2-CG 4.36Å; T193-R197 WeakPolarHBondContact O-CB 3.45Å; T193-R197 VanDerWaalsContact O-CG 3.29Å; T193-R197 WeakPolarHBondContact O-CG 3.38Å; T193-R197 PolarHBondContact O-N 3.24Å
194L89.7Confident77.9Confident0 Ų038.2 Ų38.20%021%0.205CC..Hα-helixtrans-58.6-50.2172.6168.652.4000110.1V65 L144 I149 L188 N191 S196 R197 L198V65-L194 HydrophobicContact CG1-CD2 3.88Å; V65-L194 HydrophobicContact CG1-CG 4.01Å; L144-L194 HydrophobicContact CD1-CD1 3.92Å; I149-L194 HydrophobicContact CD1-CD1 3.34Å; L188-L194 HydrophobicContact CD2-CB 3.53Å; L188-L194 HydrophobicContact CD2-CD1 3.45Å; L188-L194 VanDerWaalsContact CD2-CD1 3.45Å; L188-L194 HydrophobicContact CD2-CD2 3.93Å; L188-L194 HydrophobicContact CD2-CG 3.77Å; L188-L194 HydrophobicContact CG-CB 4.33Å; N191-L194 PolarHBondContact O-N 3.34Å; L194-S196 PolarHBondContact O-N 3.15Å; L194-R197 PolarHBondContact O-N 2.91Å; L194-L198 WeakPolarHBondContact O-CB 3.25Å; L194-L198 PolarHBondContact O-N 2.86Å
195A93.4Very high80.2Confident0 Ų031.7 Ų31.70%018%0.176CC..Hα-helixtrans-62.9-44.1-177.700000112.3V24 K26 V65 N191 D192 T193 L198 S199 L207V24-A195 HydrophobicContact CG1-CB 4.47Å; K26-A195 HydrophobicContact CB-CB 3.76Å; K26-A195 HydrophobicContact CG-CB 3.96Å; V65-A195 HydrophobicContact CB-CB 4.13Å; V65-A195 HydrophobicContact CG1-CB 4.19Å; V65-A195 HydrophobicContact CG2-CB 4.02Å; N191-A195 WeakPolarHBondContact O-CB 3.31Å; N191-A195 PolarHBondContact O-N 3.28Å; D192-A195 PolarHBondContact O-N 3.36Å; T193-A195 VanDerWaalsContact C-N 3.35Å; A195-L198 PolarHBondContact O-N 2.73Å; A195-S199 WeakPolarHBondContact O-CB 3.28Å; A195-S199 PolarHBondContact O-N 3.36Å; A195-S199 PolarHBondContact O-OG 3.11Å; A195-L207 HydrophobicContact CB-CD1 3.85Å
196S92.6Very high82.7Confident1 Ų129.6 Ų29.61%0.00716%0.162CC..Hα-helixtrans-62-47.3176520000112.9D192 T193 L194 S199 V200 A259D192-S196 PolarHBondContact O-N 2.82Å; D192-S196 PolarHBondContact O-OG 2.94Å; D192-S196 VanDerWaalsContact O-OG 3.1Å; T193-S196 VanDerWaalsContact CA-OG 3.31Å; T193-S196 WeakPolarHBondContact CA-OG 3.39Å; T193-S196 PolarHBondContact O-OG 3.49Å; L194-S196 PolarHBondContact O-N 3.15Å; S196-S199 PolarHBondContact O-N 3.13Å; S196-V200 PolarHBondContact O-N 3.46Å; S196-A259 WeakPolarHBondContact CB-O 3.24Å
197R92.1Very high85.3Confident68 Ų6823.8 Ų23.826%0.25713%0.131SC..Hα-helixtrans-65.4-41.4178.2-67.9179.7178.7-143.2-1.1112.8I149 T193 L194 V200 A201 W262I149-R197 HydrophobicContact CG2-CB 3.86Å; T193-R197 HydrophobicContact CG2-CG 4.36Å; T193-R197 WeakPolarHBondContact O-CB 3.45Å; T193-R197 VanDerWaalsContact O-CG 3.29Å; T193-R197 WeakPolarHBondContact O-CG 3.38Å; T193-R197 PolarHBondContact O-N 3.24Å; L194-R197 PolarHBondContact O-N 2.91Å; R197-V200 PolarHBondContact O-N 3.17Å; R197-A201 WeakPolarHBondContact O-CB 3.26Å; R197-A201 PolarHBondContact O-N 3.04Å; R197-W262 HydrophobicContact CB-CH2 4.36Å; R197-W262 HydrophobicContact CB-CZ3 4.27Å; R197-W262 HydrophobicContact CG-CE3 4.36Å; R197-W262 HydrophobicContact CG-CH2 3.82Å; R197-W262 HydrophobicContact CG-CZ2 4.3Å; R197-W262 HydrophobicContact CG-CZ3 3.85Å
198L93.3Very high88Confident0 Ų022.5 Ų22.50%012%0.117CC..Hα-helixtrans-60-49.5175.5176.869.4000110.5V24 I63 V65 L162 L174 L194 A195 V200 A201 I202V24-L198 HydrophobicContact CG1-CD2 4.28Å; I63-L198 HydrophobicContact CG2-CD2 4.05Å; V65-L198 HydrophobicContact CG2-CD2 3.57Å; L162-L198 HydrophobicContact CD1-CD1 3.79Å; L174-L198 HydrophobicContact CD2-CD1 3.58Å; L174-L198 HydrophobicContact CD2-CD2 3.49Å; L174-L198 VanDerWaalsContact CD2-CD2 3.49Å; L174-L198 HydrophobicContact CD2-CG 4.16Å; L174-L198 HydrophobicContact CG-CD2 4.48Å; L194-L198 WeakPolarHBondContact O-CB 3.25Å; L194-L198 PolarHBondContact O-N 2.86Å; A195-L198 PolarHBondContact O-N 2.73Å; L198-V200 PolarHBondContact O-N 3.45Å; L198-A201 PolarHBondContact O-N 2.73Å; L198-I202 HydrophobicContact CD1-CG2 3.99Å; L198-I202 WeakPolarHBondContact O-CG1 3.25Å; L198-I202 PolarHBondContact O-N 2.99Å
199S95.1Very high90.3Very high0 Ų022.1 Ų22.10%012%0.116CC..Hα-helixtrans-56.1-41-178.4-55.80000111.6V24 A195 S196 K203 A204V24-S199 WeakPolarHBondContact CB-OG 3.5Å; V24-S199 WeakPolarHBondContact CG2-OG 3.23Å; A195-S199 WeakPolarHBondContact O-CB 3.28Å; A195-S199 PolarHBondContact O-N 3.36Å; A195-S199 PolarHBondContact O-OG 3.11Å; S196-S199 PolarHBondContact O-N 3.13Å; S199-K203 PolarHBondContact O-N 3.26Å; S199-A204 WeakPolarHBondContact O-CB 3.18Å; S199-A204 PolarHBondContact O-N 2.77Å
200V93Very high92.2Very high21 Ų2120.9 Ų20.913%0.12710%0.103CC..Hα-helixtrans-68.9-45.9174.2175.80000111.8M1 S196 R197 L198 I202 K203 W262 A263 R266 V268M1-V200 HydrophobicContact CE-CG1 4.17Å; M1-V200 HydrophobicContact SD-CG1 3.67Å; S196-V200 PolarHBondContact O-N 3.46Å; R197-V200 PolarHBondContact O-N 3.17Å; L198-V200 PolarHBondContact O-N 3.45Å; V200-I202 VanDerWaalsContact C-N 3.27Å; V200-I202 PolarHBondContact O-N 2.63Å; V200-K203 PolarHBondContact O-N 2.92Å; V200-K203 VanDerWaalsContact O-N 3.11Å; V200-W262 HydrophobicContact CB-CH2 4.41Å; V200-W262 HydrophobicContact CB-CZ3 4.01Å; V200-W262 HydrophobicContact CG2-CE3 4.29Å; V200-W262 HydrophobicContact CG2-CH2 4.35Å; V200-W262 HydrophobicContact CG2-CZ3 3.58Å; V200-A263 HydrophobicContact CG2-CB 4.49Å; V200-R266 HydrophobicContact CB-CB 4.44Å; V200-R266 HydrophobicContact CG1-CB 3.84Å; V200-R266 HydrophobicContact CG1-CG 4.37Å; V200-R266 HydrophobicContact CG2-CB 3.66Å; V200-V268 HydrophobicContact CG2-CG2 4Å
201A91.6Very high93Very high12 Ų1219.8 Ų19.810%0.09910%0.098CC..Hα-helixtrans-58.6-39.3-176.900000112.6R155 V159 R197 L198R155-A201 HydrophobicContact CG-CB 4.04Å; V159-A201 HydrophobicContact CG2-CB 4.32Å; V159-A201 WeakPolarHBondContact CG2-O 3.15Å; R197-A201 WeakPolarHBondContact O-CB 3.26Å; R197-A201 PolarHBondContact O-N 3.04Å; L198-A201 PolarHBondContact O-N 2.73Å
202I92.9Very high93Very high5 Ų522.8 Ų22.83%0.02611%0.114CC..THydrogen-bonded Turntrans-922.4-179.971176.4000114R22 V24 I63 V159 L162 L198 V200 A204R22-I202 WeakPolarHBondContact CD-O 3.03Å; R22-I202 HydrophobicContact CG-CD1 4.44Å; R22-I202 PolarHBondContact NH1-O 3.04Å; R22-I202 VanDerWaalsContact NH1-O 3.08Å; V24-I202 HydrophobicContact CG2-CD1 3.59Å; I63-I202 HydrophobicContact CD1-CD1 3.1Å; I63-I202 HydrophobicContact CD1-CG1 4.5Å; V159-I202 HydrophobicContact CG2-CG2 4.23Å; L162-I202 HydrophobicContact CD1-CG2 3.79Å; L198-I202 HydrophobicContact CD1-CG2 3.99Å; L198-I202 WeakPolarHBondContact O-CG1 3.25Å; L198-I202 PolarHBondContact O-N 2.99Å; V200-I202 VanDerWaalsContact C-N 3.27Å; V200-I202 PolarHBondContact O-N 2.63Å; I202-A204 HydrophobicContact CD1-CB 4.18Å; I202-A204 HydrophobicContact CG1-CB 4.04Å; I202-A204 PolarHBondContact O-N 2.76Å
203K92.6Very high93Very high176 Ų17624.9 Ų24.977%0.76513%0.127SC*.THydrogen-bonded Turntrans53.650.7-174.4-54.2176.7-177.5175.50112.7S199 V200S199-K203 PolarHBondContact O-N 3.26Å; V200-K203 PolarHBondContact O-N 2.92Å; V200-K203 VanDerWaalsContact O-N 3.11Å
204A95.1Very high92.9Very high5 Ų526 Ų264%0.04113%0.131CC..  trans-65.2143.4174.500000110.8R22 V24 S199 I202 V268R22-A204 HydrophobicContact CG-CB 4.32Å; V24-A204 HydrophobicContact CG2-CB 3.84Å; S199-A204 WeakPolarHBondContact O-CB 3.18Å; S199-A204 PolarHBondContact O-N 2.77Å; I202-A204 HydrophobicContact CD1-CB 4.18Å; I202-A204 HydrophobicContact CG1-CB 4.04Å; I202-A204 PolarHBondContact O-N 2.76Å; A204-V268 WeakPolarHBondContact O-CG2 3.42Å
205D95.3Very high92.8Very high53 Ų5326.1 Ų26.128%0.28313%0.132SC..SBendtrans-75.1-30.2175.4-59.8-53.7000111.2W10 A20 K21 R22 P269W10-D205 HydrophobicContact CZ2-CB 4.2Å; W10-D205 WeakPolarHBondContact CZ2-O 3.44Å; A20-D205 HydrophobicContact CB-CB 3.77Å; K21-D205 WeakPolarHBondContact CA-OD2 3.45Å; K21-D205 PolarHBondContact N-OD2 3.3Å; R22-D205 PolarHBondContact N-OD2 2.75Å; R22-D205 PolarHBondContact O-N 2.93Å; D205-P269 VanDerWaalsContact O-CD 3.27Å; D205-P269 WeakPolarHBondContact O-CD 3.47Å; D205-P269 VanDerWaalsContact O-CG 3.27Å; D205-P269 WeakPolarHBondContact O-CG 3.26Å
206L96.7Very high92.4Very high0 Ų026.3 Ų26.30%013%0.133CC..EExtended strand (participates in β ladder)trans-150.6139-174.3-17170.5000112.9I17 A20 R22 I23 V24 L208 P269 V271 M285I17-L206 HydrophobicContact CG2-CD2 3.66Å; A20-L206 HydrophobicContact CB-CB 4.01Å; A20-L206 HydrophobicContact CB-CD2 4.49Å; R22-L206 PolarHBondContact O-N 2.87Å; I23-L206 WeakPolarHBondContact CA-O 3.47Å; I23-L206 HydrophobicContact CG2-CB 4.49Å; V24-L206 PolarHBondContact N-O 2.86Å; L206-L208 HydrophobicContact CD2-CD2 3.57Å; L206-L208 HydrophobicContact CD2-CG 4.08Å; L206-L208 HydrophobicContact CG-CD2 3.99Å; L206-L208 HydrophobicContact CG-CG 4.44Å; L206-P269 HydrophobicContact CD1-CB 4.45Å; L206-P269 HydrophobicContact CD1-CG 4.16Å; L206-V271 HydrophobicContact CD1-CG2 4.33Å; L206-M285 HydrophobicContact CD2-SD 3.94Å
207L97.4Very high91.7Very high2 Ų228.9 Ų28.91%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-109114.8169.1169.259.9000111.3V24 A195 V268 P269 S270 V271V24-L207 HydrophobicContact CB-CD1 4.06Å; V24-L207 HydrophobicContact CG1-CD1 3.86Å; V24-L207 CarbonylContact O-C 3.57Å; V24-L207 WeakPolarHBondContact O-CA 3.05Å; A195-L207 HydrophobicContact CB-CD1 3.85Å; L207-V268 HydrophobicContact CB-CG1 4.32Å; L207-P269 PolarHBondContact N-O 2.79Å; L207-S270 CarbonylContact O-C 3.55Å; L207-S270 WeakPolarHBondContact O-CA 3.5Å; L207-S270 VanDerWaalsContact O-CB 3.27Å; L207-S270 WeakPolarHBondContact O-CB 3.31Å; L207-V271 PolarHBondContact O-N 2.77Å
208L97.4Very high90.6Very high0 Ų028.3 Ų28.30%015%0.147CC..EExtended strand (participates in β ladder)trans-96.3121.8171.9-59-175.5000110.4I23 V24 I25 K26 L206 V271 I281 I284I23-L208 HydrophobicContact CG2-CD1 4.07Å; I23-L208 HydrophobicContact CG2-CG 4.02Å; V24-L208 PolarHBondContact O-N 2.89Å; I25-L208 CarbonylContact C-O 3.52Å; I25-L208 WeakPolarHBondContact CA-O 3.45Å; I25-L208 HydrophobicContact CD1-CD1 4.31Å; I25-L208 HydrophobicContact CG1-CB 4.25Å; I25-L208 HydrophobicContact CG1-CD1 4.2Å; I25-L208 HydrophobicContact CG2-CB 4.43Å; K26-L208 PolarHBondContact N-O 2.83Å; L206-L208 HydrophobicContact CD2-CD2 3.57Å; L206-L208 HydrophobicContact CD2-CG 4.08Å; L206-L208 HydrophobicContact CG-CD2 3.99Å; L206-L208 HydrophobicContact CG-CG 4.44Å; L208-V271 HydrophobicContact CD2-CB 3.72Å; L208-V271 HydrophobicContact CD2-CG2 4Å; L208-I281 HydrophobicContact CD1-CG2 4.18Å; L208-I284 HydrophobicContact CD2-CD1 4.49Å; L208-I284 HydrophobicContact CD2-CG2 3.78Å
209T95.8Very high89.4Confident8 Ų829.1 Ų29.15%0.04915%0.154CC..EExtended strand (participates in β ladder)trans-10898177-62.40000109.7K26 S211 K256 V271 C273K26-T209 HydrophobicContact CD-CG2 4.11Å; T209-S211 PolarHBondContact O-N 3.19Å; T209-K256 HydrophobicContact CG2-CG 4.37Å; T209-V271 PolarHBondContact N-O 2.99Å; T209-C273 PolarHBondContact O-N 3.26Å; T209-C273 VanDerWaalsContact O-N 3.11Å
210L94.9Very high88.2Confident0 Ų030.8 Ų30.80%017%0.165CC..EExtended strand (participates in β ladder)trans-80113175.6-52-171000109.6I25 K26 I27 G28 V31 I48 C273 V280 I281I25-L210 HydrophobicContact CG2-CD1 3.93Å; I25-L210 HydrophobicContact CG2-CG 4.02Å; K26-L210 WeakPolarHBondContact O-CB 3.33Å; K26-L210 PolarHBondContact O-N 3.19Å; I27-L210 HydrophobicContact CG1-CD1 4.32Å; G28-L210 PolarHBondContact N-O 3.41Å; V31-L210 HydrophobicContact CG2-CB 4.44Å; V31-L210 WeakPolarHBondContact CG2-O 3.22Å; I48-L210 HydrophobicContact CD1-CD1 4.03Å; I48-L210 HydrophobicContact CG1-CD1 4.29Å; I48-L210 HydrophobicContact CG2-CD1 4.21Å; L210-C273 WeakPolarHBondContact CD2-SG 3.28Å; L210-V280 HydrophobicContact CD2-CG1 4.32Å; L210-I281 HydrophobicContact CD1-CD1 4.08Å; L210-I281 HydrophobicContact CD1-CG1 4.27Å; L210-I281 HydrophobicContact CD2-CG1 4.36Å
211S90.4Very high87Confident6 Ų633.6 Ų33.64%0.04218%0.183CC..EExtended strand (participates in β ladder)trans-123.8-175.6-179.1-161.30000111.3V31 T209 V213 K256 C273 N274 G275V31-S211 WeakPolarHBondContact CG2-O 3.49Å; T209-S211 PolarHBondContact O-N 3.19Å; S211-V213 VanDerWaalsContact C-N 3.32Å; S211-K256 WeakPolarHBondContact OG-CE 3.35Å; S211-C273 PolarHBondContact N-O 3.41Å; S211-N274 CarbonylContact O-C 3.41Å; S211-N274 WeakPolarHBondContact O-CA 3.44Å; S211-N274 PolarHBondContact O-OD1 3.28Å; S211-G275 PolarHBondContact O-N 2.77Å
212N86.6Confident85.8Confident79 Ų7940 Ų4042%0.42222%0.221SC..SBendtrans-94.912.6173.167.2-45.3000112.6A30A30-N212 HydrophobicContact CB-CB 4.02Å
213V87.6Confident84.7Confident47 Ų4744.5 Ų44.529%0.28524%0.242SC..SBendtrans-115.9144.2176.9-63.80000109.2S211 G215 M253 I272 C273 N274S211-V213 VanDerWaalsContact C-N 3.32Å; V213-G215 PolarHBondContact O-N 2.89Å; V213-M253 HydrophobicContact CG2-SD 4.15Å; V213-I272 HydrophobicContact CG2-CG2 4.37Å; V213-C273 CarbonylContact O-C 3.57Å; V213-N274 VanDerWaalsContact O-CA 3.24Å; V213-N274 WeakPolarHBondContact O-CA 3.41Å; V213-N274 WeakPolarHBondContact O-CB 3.5Å; V213-N274 PolarHBondContact O-N 2.72Å
214D86.2Confident83.1Confident64 Ų6442.6 Ų42.634%0.34225%0.25SS..SBendtrans-66.2-25.2-178.9-55.4-44.2000113Y217 L228 N274 G291D214-Y217 HydrophobicContact CB-CE2 4.39Å; D214-Y217 PolarHBondContact OD2-OH 3.19Å; D214-Y217 VanDerWaalsContact OD2-OH 3.13Å; D214-L228 HydrophobicContact CB-CD1 4.34Å; D214-L228 HydrophobicContact CB-CD2 4.01Å; D214-N274 VanDerWaalsContact OD1-CB 3.3Å; D214-N274 WeakPolarHBondContact OD1-CB 3.41Å; D214-N274 PolarHBondContact OD1-ND2 2.98Å; D214-G291 VanDerWaalsContact O-CA 3.27Å; D214-G291 WeakPolarHBondContact O-CA 3.24Å
215G88.3Confident81.6Confident2 Ų247.6 Ų47.62%0.02128%0.277CS..SBendtrans163.8-151174.500000110.5V213V213-G215 PolarHBondContact O-N 2.89Å
216V85.6Confident80.3Confident3 Ų346.1 Ų46.12%0.01827%0.27CS..  trans-87.6128.1175.5-1700000108.8L229 L240 M253 L257 I272 T292 I294V216-L229 HydrophobicContact CB-CD1 4.47Å; V216-L229 HydrophobicContact CG1-CD1 4.12Å; V216-L229 WeakPolarHBondContact O-CB 3.37Å; V216-L229 PolarHBondContact O-N 2.76Å; V216-L240 HydrophobicContact CG1-CD1 3.32Å; V216-M253 HydrophobicContact CB-CE 4.03Å; V216-M253 HydrophobicContact CG1-CE 4.29Å; V216-M253 HydrophobicContact CG2-CE 3.41Å; V216-M253 VanDerWaalsContact CG2-CE 3.41Å; V216-L257 HydrophobicContact CG1-CD1 4.22Å; V216-L257 HydrophobicContact CG1-CD2 4.27Å; V216-L257 HydrophobicContact CG2-CD2 3.79Å; V216-I272 HydrophobicContact CG2-CD1 4.17Å; V216-T292 HydrophobicContact CB-CG2 3.89Å; V216-T292 HydrophobicContact CG2-CG2 3.64Å; V216-T292 PolarHBondContact N-OG1 3.36Å; V216-I294 HydrophobicContact CG2-CD1 4.45Å
217Y78.4Confident79Confident56 Ų5649 Ų4922%0.2229%0.288CS..BIsolated β-bridgetrans-105.8152.2175.7-73.9-100.6000110.8D214 A219 P221 S226 V227 L228D214-Y217 HydrophobicContact CB-CE2 4.39Å; D214-Y217 PolarHBondContact OD2-OH 3.19Å; D214-Y217 VanDerWaalsContact OD2-OH 3.13Å; Y217-A219 WeakPolarHBondContact CB-O 3.26Å; Y217-A219 PolarHBondContact O-N 3.26Å; Y217-P221 HydrophobicContact CD1-CB 4.42Å; Y217-P221 HydrophobicContact CD1-CG 4.34Å; Y217-P221 HydrophobicContact CD2-CG 3.84Å; Y217-P221 HydrophobicContact CE1-CB 4.34Å; Y217-P221 HydrophobicContact CE2-CG 4.04Å; Y217-P221 HydrophobicContact CG-CG 4Å; Y217-S226 WeakPolarHBondContact CB-OG 3.11Å; Y217-S226 WeakPolarHBondContact CD1-OG 3.3Å; Y217-V227 WeakPolarHBondContact CA-O 3.44Å; Y217-L228 HydrophobicContact CD1-CB 4.16Å; Y217-L228 HydrophobicContact CD2-CD1 4.19Å; Y217-L228 HydrophobicContact CE1-CB 3.8Å; Y217-L228 HydrophobicContact CE2-CD1 3.9Å
218T69.3Low78.1Confident56 Ų5651.8 Ų51.834%0.34430%0.303SS..SBendtrans-64.1-27.5174.952.20000113.2V227 L229T218-V227 PolarHBondContact N-O 2.97Å; T218-V227 PolarHBondContact OG1-N 3.03Å; T218-L229 HydrophobicContact CG2-CD1 4.48Å; T218-L229 HydrophobicContact CG2-CD2 3.61Å; T218-L229 HydrophobicContact CG2-CG 4.06Å
219A68Low77.2Confident16 Ų1653.5 Ų53.513%0.13231%0.312CS..SBendtrans-148.7173178.500000109.4Y217 S226Y217-A219 WeakPolarHBondContact CB-O 3.26Å; Y217-A219 PolarHBondContact O-N 3.26Å; A219-S226 PolarHBondContact O-OG 2.88Å
220P70.1Confident76.4Confident36 Ų3653.7 Ų53.723%0.23432%0.315CS..  trans-52.2133.2174.3-24.132000111.6V222 Q223 S226 T243P220-V222 PolarHBondContact O-N 2.88Å; P220-Q223 HydrophobicContact CB-CG 4.44Å; P220-Q223 WeakPolarHBondContact O-CB 3.39Å; P220-Q223 PolarHBondContact O-N 2.79Å; P220-S226 VanDerWaalsContact O-CB 3.28Å; P220-S226 WeakPolarHBondContact O-CB 3.49Å; P220-S226 PolarHBondContact O-OG 3.45Å; P220-T243 HydrophobicContact CB-CG2 3.7Å; P220-T243 HydrophobicContact CG-CG2 3.55Å
221P66.3Low75.8Confident80 Ų8054.9 Ų54.952%0.51932%0.32SS..THydrogen-bonded Turntrans-59.2-16-172.9-24.632.1000115.5Y217 Q223Y217-P221 HydrophobicContact CD1-CB 4.42Å; Y217-P221 HydrophobicContact CD1-CG 4.34Å; Y217-P221 HydrophobicContact CD2-CG 3.84Å; Y217-P221 HydrophobicContact CE1-CB 4.34Å; Y217-P221 HydrophobicContact CE2-CG 4.04Å; Y217-P221 HydrophobicContact CG-CG 4Å; P221-Q223 VanDerWaalsContact C-N 3.28Å
222V67.7Low75.5Confident145 Ų14555.2 Ų55.288%0.87932%0.321SS*.THydrogen-bonded Turntrans-77.5-15.9177.9-170.50000111.6P220P220-V222 PolarHBondContact O-N 2.88Å
223Q68.6Low75.3Confident100 Ų10051.5 Ų51.547%0.46730%0.301SS..SBendtrans-84.3139.8178.5-65-175.3-2.600111.4P220 P221 N225 S226P220-Q223 HydrophobicContact CB-CG 4.44Å; P220-Q223 WeakPolarHBondContact O-CB 3.39Å; P220-Q223 PolarHBondContact O-N 2.79Å; P221-Q223 VanDerWaalsContact C-N 3.28Å; Q223-N225 PolarHBondContact O-N 3.02Å; Q223-S226 VanDerWaalsContact O-CB 3.26Å; Q223-S226 WeakPolarHBondContact O-CB 3.48Å; Q223-S226 PolarHBondContact O-N 3.34Å; Q223-S226 VanDerWaalsContact O-N 3.08Å
224S60.5Low74.9Confident136 Ų13650.3 Ų50.395%0.95129%0.294SS*.THydrogen-bonded Turntrans-65.9-20.4-174.452.70000114.9
225N62Low74.5Confident110 Ų11052.9 Ų52.959%0.58830%0.3SS*.THydrogen-bonded Turntrans-100.37.5177.166.4-30.2000113.2Q223Q223-N225 PolarHBondContact O-N 3.02Å
226S69.5Low73.5Confident22 Ų2257 Ų5715%0.15432%0.324CS..  trans-76.8124.9177.8-177.80000110.3Y217 A219 P220 Q223Y217-S226 WeakPolarHBondContact CB-OG 3.11Å; Y217-S226 WeakPolarHBondContact CD1-OG 3.3Å; A219-S226 PolarHBondContact O-OG 2.88Å; P220-S226 VanDerWaalsContact O-CB 3.28Å; P220-S226 WeakPolarHBondContact O-CB 3.49Å; P220-S226 PolarHBondContact O-OG 3.45Å; Q223-S226 VanDerWaalsContact O-CB 3.26Å; Q223-S226 WeakPolarHBondContact O-CB 3.48Å; Q223-S226 PolarHBondContact O-N 3.34Å; Q223-S226 VanDerWaalsContact O-N 3.08Å
227V68.5Low72.5Confident60 Ų6060.4 Ų60.436%0.36434%0.343SS..  trans-121.3135.9-179.6-1770000109.1Y217 T218 L229Y217-V227 WeakPolarHBondContact CA-O 3.44Å; T218-V227 PolarHBondContact N-O 2.97Å; T218-V227 PolarHBondContact OG1-N 3.03Å; V227-L229 PolarHBondContact O-N 3.39Å
228L77.6Confident71.8Confident62 Ų6259.4 Ų59.433%0.32535%0.35SS..BIsolated β-bridgetrans-69.4120.3173.6176.363.4000109.7D214 Y217 G230D214-L228 HydrophobicContact CB-CD1 4.34Å; D214-L228 HydrophobicContact CB-CD2 4.01Å; Y217-L228 HydrophobicContact CD1-CB 4.16Å; Y217-L228 HydrophobicContact CD2-CD1 4.19Å; Y217-L228 HydrophobicContact CE1-CB 3.8Å; Y217-L228 HydrophobicContact CE2-CD1 3.9Å; L228-G230 PolarHBondContact O-N 2.87Å
229L79.5Confident71.4Confident36 Ų3666.2 Ų66.219%0.18838%0.378CS..  trans-75119.2176.2-64.9177000109.6V216 T218 V227 Y232 L240 T292V216-L229 HydrophobicContact CB-CD1 4.47Å; V216-L229 HydrophobicContact CG1-CD1 4.12Å; V216-L229 WeakPolarHBondContact O-CB 3.37Å; V216-L229 PolarHBondContact O-N 2.76Å; T218-L229 HydrophobicContact CG2-CD1 4.48Å; T218-L229 HydrophobicContact CG2-CD2 3.61Å; T218-L229 HydrophobicContact CG2-CG 4.06Å; V227-L229 PolarHBondContact O-N 3.39Å; L229-Y232 HydrophobicContact CD1-CD2 4.15Å; L229-L240 HydrophobicContact CD1-CD1 3.75Å; L229-L240 HydrophobicContact CD1-CD2 4.27Å; L229-T292 HydrophobicContact CB-CG2 4.06Å; L229-T292 WeakPolarHBondContact O-CA 3.46Å; L229-T292 VanDerWaalsContact O-CB 3.23Å; L229-T292 WeakPolarHBondContact O-CB 3.26Å; L229-T292 WeakPolarHBondContact O-CG2 3.37Å; L229-T292 PolarHBondContact O-OG1 2.74Å
230G78.6Confident71.2Confident11 Ų1167.4 Ų67.411%0.11338%0.382CS..SBendtrans-71-25.1168.600000112.3R14 L228 L293R14-G230 PolarHBondContact NE-O 2.87Å; R14-G230 PolarHBondContact NH2-O 3.25Å; L228-G230 PolarHBondContact O-N 2.87Å; G230-L293 PolarHBondContact O-N 2.96Å; G230-L293 VanDerWaalsContact O-N 3.13Å
231H82.7Confident70.4Confident26 Ų2673 Ų7312%0.1241%0.409CS..EExtended strand (participates in β ladder)trans-147.5146.7-180176.5-94.5000109.8L293 A297 L299H231-L293 CarbonylContact C-O 3.59Å; H231-L293 VanDerWaalsContact CA-O 3.28Å; H231-L293 WeakPolarHBondContact CA-O 3.41Å; H231-L293 PolarHBondContact CD2-O 3.38Å; H231-L293 VanDerWaalsContact CD2-O 3.27Å; H231-A297 PolarHBondContact CE1-O 2.86Å; H231-A297 PolarHBondContact NE2-O 3.2Å; H231-A297 VanDerWaalsContact NE2-O 3.13Å; H231-L299 HydrophobicContact CB-CB 4.47Å; H231-L299 HydrophobicContact CB-CD1 3.95Å; H231-L299 HydrophobicContact CB-CG 4.39Å; H231-L299 VanDerWaalsContact CD2-CD1 3.43Å; H231-L299 WeakPolarHBondContact CD2-CD1 3.42Å
232Y83.5Confident69.8Low13 Ų1371.8 Ų71.85%0.05140%0.4CS..EExtended strand (participates in β ladder)trans-145.6122.2175.8174.3-114.3000110L229 P234 D237 G238 L240 L257 L293 I294 A295L229-Y232 HydrophobicContact CD1-CD2 4.15Å; Y232-P234 HydrophobicContact CD1-CG 4.11Å; Y232-P234 HydrophobicContact CE1-CB 4.19Å; Y232-P234 HydrophobicContact CE1-CG 3.75Å; Y232-D237 HydrophobicContact CD2-CB 3.83Å; Y232-D237 HydrophobicContact CE2-CB 3.78Å; Y232-G238 PolarHBondContact OH-O 3.14Å; Y232-L240 HydrophobicContact CD2-CD1 3.75Å; Y232-L240 HydrophobicContact CD2-CG 4.39Å; Y232-L240 HydrophobicContact CE1-CD1 4.32Å; Y232-L240 HydrophobicContact CE2-CD1 3.45Å; Y232-L240 VanDerWaalsContact CE2-CD1 3.45Å; Y232-L240 HydrophobicContact CE2-CD2 4.48Å; Y232-L240 HydrophobicContact CE2-CG 3.71Å; Y232-L240 HydrophobicContact CG-CD1 4.29Å; Y232-L257 HydrophobicContact CD1-CD2 4.01Å; Y232-L257 HydrophobicContact CE1-CD2 3.85Å; Y232-L293 PolarHBondContact N-O 3.13Å; Y232-I294 HydrophobicContact CD1-CG1 4.32Å; Y232-I294 VanDerWaalsContact O-CA 3.32Å; Y232-I294 WeakPolarHBondContact O-CA 3.45Å; Y232-A295 PolarHBondContact O-N 2.94Å
233C83.7Confident69Low0 Ų068.1 Ų68.10%038%0.378CS..  trans-106.4107.2171.9172.60000109Y235 T236 D237 A295C233-Y235 PolarHBondContact O-N 3.24Å; C233-T236 VanDerWaalsContact CB-OG1 3.25Å; C233-T236 WeakPolarHBondContact CB-OG1 3.23Å; C233-T236 PolarHBondContact O-N 3.44Å; C233-T236 VanDerWaalsContact O-N 3.15Å; C233-T236 PolarHBondContact SG-OG1 2.79Å; C233-D237 PolarHBondContact N-OD2 2.88Å; C233-D237 WeakPolarHBondContact O-CB 3.27Å; C233-D237 PolarHBondContact O-N 2.92Å; C233-A295 WeakPolarHBondContact CA-O 3.3Å; C233-A295 WeakPolarHBondContact CB-O 3.32Å
234P78.3Confident68Low23 Ų2368 Ų6815%0.14939%0.394CS..THydrogen-bonded Turntrans-56.3-24.4-179.7-24.832.7000114.3Y232 T261 L264 I294Y232-P234 HydrophobicContact CD1-CG 4.11Å; Y232-P234 HydrophobicContact CE1-CB 4.19Å; Y232-P234 HydrophobicContact CE1-CG 3.75Å; P234-T261 HydrophobicContact CB-CG2 3.92Å; P234-T261 HydrophobicContact CG-CG2 4.11Å; P234-T261 WeakPolarHBondContact CG-OG1 3.24Å; P234-L264 HydrophobicContact CG-CD2 4.08Å; P234-I294 HydrophobicContact CG-CG2 3.99Å
235Y77.5Confident67.2Low118 Ų11863.9 Ų63.946%0.46337%0.373SS..THydrogen-bonded Turntrans-81.7-29.8-177.4-47.7-54.6000113.6C233 L264 D265 A296C233-Y235 PolarHBondContact O-N 3.24Å; Y235-L264 HydrophobicContact CE2-CD2 3.79Å; Y235-L264 HydrophobicContact CE2-CG 4.16Å; Y235-D265 VanDerWaalsContact CE1-OD1 3.27Å; Y235-D265 WeakPolarHBondContact CE1-OD1 3.42Å; Y235-D265 WeakPolarHBondContact OH-CA 3.39Å; Y235-D265 PolarHBondContact OH-N 3.37Å; Y235-D265 PolarHBondContact OH-OD1 3.31Å; Y235-A296 HydrophobicContact CD2-CB 4.15Å; Y235-A296 HydrophobicContact CE2-CB 3.67Å
236T68.4Low66.2Low87 Ų8762.2 Ų62.253%0.53437%0.37SS..THydrogen-bonded Turntrans-106.4-34.9-176.8550000112.7C233C233-T236 VanDerWaalsContact CB-OG1 3.25Å; C233-T236 WeakPolarHBondContact CB-OG1 3.23Å; C233-T236 PolarHBondContact O-N 3.44Å; C233-T236 VanDerWaalsContact O-N 3.15Å; C233-T236 PolarHBondContact SG-OG1 2.79Å
237D64.9Low64.8Low75 Ų7571 Ų7140%0.40141%0.405SS..SBendtrans-89.3-9-168.2-54.6-14.7000112.1Y232 C233Y232-D237 HydrophobicContact CD2-CB 3.83Å; Y232-D237 HydrophobicContact CE2-CB 3.78Å; C233-D237 PolarHBondContact N-OD2 2.88Å; C233-D237 WeakPolarHBondContact O-CB 3.27Å; C233-D237 PolarHBondContact O-N 2.92Å
238G63.2Low63.5Low36 Ų3674.1 Ų74.137%0.37141%0.414SS..  trans74.4-177.3178.500000113.7Y232Y232-G238 PolarHBondContact OH-O 3.14Å
239E61.3Low61.9Low199 Ų19972.7 Ų72.793%0.9342%0.415SS*.  trans-74.9129.9177.7-70.9-173.4163.100111.7
240L62.9Low60.4Low41 Ų4176.2 Ų76.222%0.21544%0.438CS..  trans-84.4150.4173.3-68166.7000111.6V216 L229 Y232 V242V216-L240 HydrophobicContact CG1-CD1 3.32Å; L229-L240 HydrophobicContact CD1-CD1 3.75Å; L229-L240 HydrophobicContact CD1-CD2 4.27Å; Y232-L240 HydrophobicContact CD2-CD1 3.75Å; Y232-L240 HydrophobicContact CD2-CG 4.39Å; Y232-L240 HydrophobicContact CE1-CD1 4.32Å; Y232-L240 HydrophobicContact CE2-CD1 3.45Å; Y232-L240 VanDerWaalsContact CE2-CD1 3.45Å; Y232-L240 HydrophobicContact CE2-CD2 4.48Å; Y232-L240 HydrophobicContact CE2-CG 3.71Å; Y232-L240 HydrophobicContact CG-CD1 4.29Å; L240-V242 HydrophobicContact CB-CG2 4.43Å; L240-V242 WeakPolarHBondContact O-CG2 3.38Å; L240-V242 PolarHBondContact O-N 3.14Å; L240-V242 VanDerWaalsContact O-N 3.12Å
241L53Low59.3Low154 Ų15476.1 Ų76.181%0.80644%0.436SS*.  trans-75.297170.6-83.3157.5000109.8
242V54.6Low58.7Low53 Ų5375.7 Ų75.732%0.32144%0.439SS..PPolyproline II helixtrans-93.5133.7-175.7-1670000111.8L240 M253 E254 L257L240-V242 HydrophobicContact CB-CG2 4.43Å; L240-V242 WeakPolarHBondContact O-CG2 3.38Å; L240-V242 PolarHBondContact O-N 3.14Å; L240-V242 VanDerWaalsContact O-N 3.12Å; V242-M253 HydrophobicContact CG1-CB 3.42Å; V242-M253 VanDerWaalsContact CG1-CB 3.42Å; V242-M253 HydrophobicContact CG1-CG 3.69Å; V242-E254 HydrophobicContact CB-CB 4.42Å; V242-E254 HydrophobicContact CG1-CB 4.04Å; V242-E254 VanDerWaalsContact CG1-N 3.31Å; V242-L257 HydrophobicContact CG2-CD1 3.58Å
243T51.6Low58.5Low69 Ų6976.4 Ų76.442%0.42344%0.443SS..PPolyproline II helixtrans-75.3149174.750.30000113.2P220P220-T243 HydrophobicContact CB-CG2 3.7Å; P220-T243 HydrophobicContact CG-CG2 3.55Å
244A46.7Very low58.2Low97 Ų9781.1 Ų81.180%0.80247%0.465SS*.PPolyproline II helixtrans-59.6145.317100000112.4
245G43.3Very low58.4Low49 Ų4981.3 Ų81.351%0.50547%0.467SS..  trans-68.6174.6-17400000116.1
246S41.4Very low58.8Low76 Ų7676.5 Ų76.553%0.53145%0.449SS..  trans-81.7162.9177.377.80000112.7F248S246-F248 VanDerWaalsContact C-N 3.29Å; S246-F248 PolarHBondContact O-N 3.31Å
247K39.2Very low59.7Low205 Ų20573 Ų7389%0.89143%0.427SS*.SBendtrans-61.7-21.9-175.8-101.3-178.9175.2178.50116.3
248F41.6Very low60.8Low126 Ų12675.7 Ų75.755%0.55344%0.435SS*.SBendtrans-118.1-11.2-173.8-69.5-75.9000114.7E37 S246E37-F248 WeakPolarHBondContact OE1-CD2 3.29Å; E37-F248 WeakPolarHBondContact OE1-CE2 3.45Å; E37-F248 WeakPolarHBondContact OE2-CE2 3.29Å; E37-F248 WeakPolarHBondContact OE2-CZ 3.38Å; S246-F248 VanDerWaalsContact C-N 3.29Å; S246-F248 PolarHBondContact O-N 3.31Å
249G44.5Very low62Low33 Ų3374.3 Ų74.334%0.3442%0.42SS..  trans-86.8128.4167.600000109.6G251G249-G251 PolarHBondContact O-N 3.26Å
250T47.8Very low63.4Low110 Ų11065 Ų6568%0.67538%0.376SS*.SBendtrans-64.3-13.7165.540.90000112.3D190D190-T250 PolarHBondContact OD1-OG1 3.28Å; D190-T250 VanDerWaalsContact OD1-OG1 3.07Å
251G55.2Low64.7Low8 Ų864.7 Ų64.78%0.08238%0.376CS..  trans-120.2118.4-177.400000115.1D190 G249 S255 K256D190-G251 WeakPolarHBondContact OD2-CA 3.41Å; G249-G251 PolarHBondContact O-N 3.26Å; G251-S255 WeakPolarHBondContact CA-OG 3.45Å; G251-K256 PolarHBondContact O-NZ 3.31Å
252G69.3Low66.5Low17 Ų1760.5 Ų60.518%0.17535%0.35CS..  trans-74.1-170.8166.500000113E254 S255 K256G252-E254 PolarHBondContact O-N 2.7Å; G252-S255 PolarHBondContact N-OG 2.91Å; G252-S255 PolarHBondContact O-N 3.41Å; G252-S255 PolarHBondContact O-OG 2.94Å; G252-K256 PolarHBondContact O-NZ 3.28Å
253M79.9Confident68.2Low29 Ų2958 Ų5814%0.14334%0.335CS..Hα-helixtrans-67.3-28.1171.7-174.267.5-152.700111.1V213 V216 V242 K256 L257 I272V213-M253 HydrophobicContact CG2-SD 4.15Å; V216-M253 HydrophobicContact CB-CE 4.03Å; V216-M253 HydrophobicContact CG1-CE 4.29Å; V216-M253 HydrophobicContact CG2-CE 3.41Å; V216-M253 VanDerWaalsContact CG2-CE 3.41Å; V242-M253 HydrophobicContact CG1-CB 3.42Å; V242-M253 VanDerWaalsContact CG1-CB 3.42Å; V242-M253 HydrophobicContact CG1-CG 3.69Å; M253-K256 PolarHBondContact O-N 3.29Å; M253-K256 HydrophobicContact SD-CD 4.34Å; M253-L257 HydrophobicContact CE-CD1 4.23Å; M253-L257 HydrophobicContact CE-CD2 4.4Å; M253-L257 HydrophobicContact CE-CG 3.93Å; M253-L257 HydrophobicContact CG-CD1 4.44Å; M253-L257 PolarHBondContact O-N 3.28Å; M253-I272 HydrophobicContact CE-CD1 3.62Å; M253-I272 HydrophobicContact CE-CG2 4.22Å
254E78.1Confident70.1Confident99 Ų9955.2 Ų55.246%0.46332%0.317SS..Hα-helixtrans-64.9-40.4177.3-171.3-172.2172.700112V242 G252 K256 L257 K258V242-E254 HydrophobicContact CB-CB 4.42Å; V242-E254 HydrophobicContact CG1-CB 4.04Å; V242-E254 VanDerWaalsContact CG1-N 3.31Å; G252-E254 PolarHBondContact O-N 2.7Å; E254-K256 VanDerWaalsContact C-N 3.32Å; E254-K256 PolarHBondContact O-N 2.86Å; E254-L257 PolarHBondContact O-N 2.85Å; E254-K258 HydrophobicContact CG-CD 4.25Å; E254-K258 WeakPolarHBondContact O-CB 3.41Å; E254-K258 VanDerWaalsContact O-CG 3.32Å; E254-K258 WeakPolarHBondContact O-CG 3.31Å; E254-K258 PolarHBondContact O-N 3.31Å; E254-K258 WeakPolarHBondContact OE1-CE 3.47Å; E254-K258 IonicContact OE1-NZ 2.68Å; E254-K258 PolarHBondContact OE1-NZ 2.98Å
255S81.4Confident72.1Confident26 Ų2653.4 Ų53.418%0.18229%0.294CS..Hα-helixtrans-65.5-37.9177.568.90000111.6D190 D192 G251 G252 K258 A259D190-S255 PolarHBondContact OD2-OG 3.16Å; D192-S255 PolarHBondContact OD2-OG 2.97Å; G251-S255 WeakPolarHBondContact CA-OG 3.45Å; G252-S255 PolarHBondContact N-OG 2.91Å; G252-S255 PolarHBondContact O-N 3.41Å; G252-S255 PolarHBondContact O-OG 2.94Å; S255-K258 PolarHBondContact O-N 2.89Å; S255-A259 VanDerWaalsContact O-CB 3.25Å; S255-A259 WeakPolarHBondContact O-CB 3.47Å; S255-A259 PolarHBondContact O-N 3.02Å
256K87Confident74.3Confident18 Ų1853.2 Ų53.28%0.07828%0.278CS..Hα-helixtrans-66.3-46.7177.8-67.3162-167.846.10111.1D192 T209 S211 G251 G252 M253 E254 A259 A260 I272D192-K256 WeakPolarHBondContact OD2-CG 3.4Å; D192-K256 IonicContact OD2-NZ 3.26Å; D192-K256 PolarHBondContact OD2-NZ 3.13Å; T209-K256 HydrophobicContact CG2-CG 4.37Å; S211-K256 WeakPolarHBondContact OG-CE 3.35Å; G251-K256 PolarHBondContact O-NZ 3.31Å; G252-K256 PolarHBondContact O-NZ 3.28Å; M253-K256 PolarHBondContact O-N 3.29Å; M253-K256 HydrophobicContact SD-CD 4.34Å; E254-K256 VanDerWaalsContact C-N 3.32Å; E254-K256 PolarHBondContact O-N 2.86Å; K256-A259 PolarHBondContact O-N 3.01Å; K256-A260 WeakPolarHBondContact O-CB 3.46Å; K256-A260 PolarHBondContact O-N 3.45Å; K256-I272 HydrophobicContact CB-CD1 3.83Å
257L86.7Confident76.5Confident14 Ų1451 Ų517%0.07327%0.267CS..Hα-helixtrans-63.2-44.9175.8-79.8170.1000111.4V216 Y232 V242 M253 E254 A259 A260 T261 I272 I294V216-L257 HydrophobicContact CG1-CD1 4.22Å; V216-L257 HydrophobicContact CG1-CD2 4.27Å; V216-L257 HydrophobicContact CG2-CD2 3.79Å; Y232-L257 HydrophobicContact CD1-CD2 4.01Å; Y232-L257 HydrophobicContact CE1-CD2 3.85Å; V242-L257 HydrophobicContact CG2-CD1 3.58Å; M253-L257 HydrophobicContact CE-CD1 4.23Å; M253-L257 HydrophobicContact CE-CD2 4.4Å; M253-L257 HydrophobicContact CE-CG 3.93Å; M253-L257 HydrophobicContact CG-CD1 4.44Å; M253-L257 PolarHBondContact O-N 3.28Å; E254-L257 PolarHBondContact O-N 2.85Å; L257-A259 PolarHBondContact O-N 2.81Å; L257-A260 PolarHBondContact O-N 3.14Å; L257-T261 WeakPolarHBondContact O-CB 3.38Å; L257-T261 PolarHBondContact O-N 3.18Å; L257-T261 PolarHBondContact O-OG1 3.36Å; L257-I272 HydrophobicContact CD2-CD1 4.49Å; L257-I294 HydrophobicContact CD2-CD1 3.89Å
258K87.4Confident79.1Confident131 Ų13141.5 Ų41.557%0.5723%0.226SC*.Hα-helixtrans-60.3-44175.8-76.2179.5-177.41740112.3E254 S255 W262E254-K258 HydrophobicContact CG-CD 4.25Å; E254-K258 WeakPolarHBondContact O-CB 3.41Å; E254-K258 VanDerWaalsContact O-CG 3.32Å; E254-K258 WeakPolarHBondContact O-CG 3.31Å; E254-K258 PolarHBondContact O-N 3.31Å; E254-K258 WeakPolarHBondContact OE1-CE 3.47Å; E254-K258 IonicContact OE1-NZ 2.68Å; E254-K258 PolarHBondContact OE1-NZ 2.98Å; S255-K258 PolarHBondContact O-N 2.89Å; K258-W262 VanDerWaalsContact O-CB 3.22Å; K258-W262 WeakPolarHBondContact O-CB 3.45Å; K258-W262 PolarHBondContact O-N 2.89Å
259A89.2Confident81.6Confident7 Ų735.7 Ų35.76%0.05820%0.201CC..Hα-helixtrans-64.8-44.8177.200000112D192 S196 S255 K256 L257 W262 A263D192-A259 HydrophobicContact CB-CB 4.07Å; D192-A259 WeakPolarHBondContact O-CB 3.25Å; S196-A259 WeakPolarHBondContact CB-O 3.24Å; S255-A259 VanDerWaalsContact O-CB 3.25Å; S255-A259 WeakPolarHBondContact O-CB 3.47Å; S255-A259 PolarHBondContact O-N 3.02Å; K256-A259 PolarHBondContact O-N 3.01Å; L257-A259 PolarHBondContact O-N 2.81Å; A259-W262 PolarHBondContact O-N 3.47Å; A259-A263 PolarHBondContact O-N 3.17Å
260A91.2Very high84Confident2 Ų234.1 Ų34.12%0.01719%0.185CC..Hα-helixtrans-61.3-49.5176.700000112.1K256 L257 W262 A263 L264 S270 I294K256-A260 WeakPolarHBondContact O-CB 3.46Å; K256-A260 PolarHBondContact O-N 3.45Å; L257-A260 PolarHBondContact O-N 3.14Å; A260-W262 VanDerWaalsContact C-N 3.34Å; A260-W262 PolarHBondContact O-N 3.38Å; A260-A263 PolarHBondContact O-N 3.38Å; A260-L264 WeakPolarHBondContact O-CB 3.31Å; A260-L264 PolarHBondContact O-N 3.44Å; A260-S270 WeakPolarHBondContact CB-OG 3.39Å; A260-I294 HydrophobicContact CB-CD1 3.44Å; A260-I294 VanDerWaalsContact CB-CD1 3.44Å; A260-I294 HydrophobicContact CB-CG2 4.3Å
261T89.7Confident86.3Confident35 Ų3528.9 Ų28.922%0.21515%0.153CC..Hα-helixtrans-61.9-42.2176.9-57.30000111.1P234 L257 A263 L264 D265P234-T261 HydrophobicContact CB-CG2 3.92Å; P234-T261 HydrophobicContact CG-CG2 4.11Å; P234-T261 WeakPolarHBondContact CG-OG1 3.24Å; L257-T261 WeakPolarHBondContact O-CB 3.38Å; L257-T261 PolarHBondContact O-N 3.18Å; L257-T261 PolarHBondContact O-OG1 3.36Å; T261-A263 VanDerWaalsContact C-N 3.31Å; T261-A263 PolarHBondContact O-N 2.96Å; T261-L264 WeakPolarHBondContact O-CB 3.33Å; T261-L264 PolarHBondContact O-N 3.29Å; T261-L264 VanDerWaalsContact O-N 3.14Å; T261-D265 VanDerWaalsContact O-CG 3.23Å; T261-D265 PolarHBondContact O-N 2.8Å
262W90.2Very high88.1Confident66 Ų6628.5 Ų28.525%0.2515%0.149CC..Hα-helixtrans-62.5-37.6178.2-174.695.4000112.9M1 R197 V200 K258 A259 A260 R266M1-W262 HydrophobicContact SD-CH2 4.01Å; R197-W262 HydrophobicContact CB-CH2 4.36Å; R197-W262 HydrophobicContact CB-CZ3 4.27Å; R197-W262 HydrophobicContact CG-CE3 4.36Å; R197-W262 HydrophobicContact CG-CH2 3.82Å; R197-W262 HydrophobicContact CG-CZ2 4.3Å; R197-W262 HydrophobicContact CG-CZ3 3.85Å; V200-W262 HydrophobicContact CB-CH2 4.41Å; V200-W262 HydrophobicContact CB-CZ3 4.01Å; V200-W262 HydrophobicContact CG2-CE3 4.29Å; V200-W262 HydrophobicContact CG2-CH2 4.35Å; V200-W262 HydrophobicContact CG2-CZ3 3.58Å; K258-W262 VanDerWaalsContact O-CB 3.22Å; K258-W262 WeakPolarHBondContact O-CB 3.45Å; K258-W262 PolarHBondContact O-N 2.89Å; A259-W262 PolarHBondContact O-N 3.47Å; A260-W262 VanDerWaalsContact C-N 3.34Å; A260-W262 PolarHBondContact O-N 3.38Å; W262-R266 VanDerWaalsContact CE2-CZ 3.43Å; W262-R266 PolarHBondContact O-NH1 2.67Å
263A91.6Very high89.3Confident0 Ų027.7 Ų27.70%014%0.14CC..Hα-helixtrans-68.6-41.5173.500000111.2V200 A259 A260 T261 D265 R266 G267 V268V200-A263 HydrophobicContact CG2-CB 4.49Å; A259-A263 PolarHBondContact O-N 3.17Å; A260-A263 PolarHBondContact O-N 3.38Å; T261-A263 VanDerWaalsContact C-N 3.31Å; T261-A263 PolarHBondContact O-N 2.96Å; A263-D265 PolarHBondContact O-N 2.86Å; A263-R266 CarbonylContact O-C 3.55Å; A263-R266 WeakPolarHBondContact O-CA 3.37Å; A263-R266 PolarHBondContact O-N 3.33Å; A263-G267 PolarHBondContact O-N 3.48Å; A263-V268 CarbonylContact C-O 3.24Å; A263-V268 VanDerWaalsContact C-O 3.3Å; A263-V268 HydrophobicContact CB-CB 4.2Å; A263-V268 PolarHBondContact O-N 2.94Å
264L90.9Very high90Very high11 Ų1127.4 Ų27.46%0.05814%0.139CC..Hα-helixtrans-63.3-41.3178.9-17565.9000112.4P234 Y235 A260 T261 R266 G267 V268 I294 A296P234-L264 HydrophobicContact CG-CD2 4.08Å; Y235-L264 HydrophobicContact CE2-CD2 3.79Å; Y235-L264 HydrophobicContact CE2-CG 4.16Å; A260-L264 WeakPolarHBondContact O-CB 3.31Å; A260-L264 PolarHBondContact O-N 3.44Å; T261-L264 WeakPolarHBondContact O-CB 3.33Å; T261-L264 PolarHBondContact O-N 3.29Å; T261-L264 VanDerWaalsContact O-N 3.14Å; L264-R266 PolarHBondContact O-N 2.8Å; L264-G267 PolarHBondContact O-N 2.76Å; L264-V268 WeakPolarHBondContact CA-O 3.39Å; L264-V268 PolarHBondContact N-O 2.71Å; L264-I294 HydrophobicContact CD2-CG2 4.1Å; L264-A296 HydrophobicContact CD1-CB 4.08Å; L264-A296 HydrophobicContact CD2-CB 4.42Å; L264-A296 HydrophobicContact CG-CB 4.35Å
265D88.2Confident90.6Very high59 Ų5922.8 Ų22.832%0.31612%0.119SC..THydrogen-bonded Turntrans-57.4-14.8174.1-69-19.9000113.3Y235 T261 A263Y235-D265 VanDerWaalsContact CE1-OD1 3.27Å; Y235-D265 WeakPolarHBondContact CE1-OD1 3.42Å; Y235-D265 WeakPolarHBondContact OH-CA 3.39Å; Y235-D265 PolarHBondContact OH-N 3.37Å; Y235-D265 PolarHBondContact OH-OD1 3.31Å; T261-D265 VanDerWaalsContact O-CG 3.23Å; T261-D265 PolarHBondContact O-N 2.8Å; A263-D265 PolarHBondContact O-N 2.86Å
266R89.6Confident91Very high46 Ų4625.9 Ų25.917%0.17413%0.129CC..THydrogen-bonded Turntrans-117.416.9179.9-70.6164.3-177.674.46.3112.3M1 V200 W262 A263 L264M1-R266 PolarHBondContact O-NH2 3.14Å; V200-R266 HydrophobicContact CB-CB 4.44Å; V200-R266 HydrophobicContact CG1-CB 3.84Å; V200-R266 HydrophobicContact CG1-CG 4.37Å; V200-R266 HydrophobicContact CG2-CB 3.66Å; W262-R266 VanDerWaalsContact CE2-CZ 3.43Å; W262-R266 PolarHBondContact O-NH1 2.67Å; A263-R266 CarbonylContact O-C 3.55Å; A263-R266 WeakPolarHBondContact O-CA 3.37Å; A263-R266 PolarHBondContact O-N 3.33Å; L264-R266 PolarHBondContact O-N 2.8Å
267G88.2Confident91.1Very high28 Ų2827.2 Ų27.229%0.28914%0.141SC..THydrogen-bonded Turntrans88.96.9171.100000115.5A263 L264 P269A263-G267 PolarHBondContact O-N 3.48Å; L264-G267 PolarHBondContact O-N 2.76Å; G267-P269 WeakPolarHBondContact O-CD 3.26Å
268V93.4Very high91Very high6 Ų634 Ų344%0.03617%0.172CC..  trans-104.5106.1-179.7-175.70000110.5V200 A204 L207 A263 L264V200-V268 HydrophobicContact CG2-CG2 4Å; A204-V268 WeakPolarHBondContact O-CG2 3.42Å; L207-V268 HydrophobicContact CB-CG1 4.32Å; A263-V268 CarbonylContact C-O 3.24Å; A263-V268 VanDerWaalsContact C-O 3.3Å; A263-V268 HydrophobicContact CB-CB 4.2Å; A263-V268 PolarHBondContact O-N 2.94Å; L264-V268 WeakPolarHBondContact CA-O 3.39Å; L264-V268 PolarHBondContact N-O 2.71Å
269P94.2Very high91.2Very high4 Ų430.7 Ų30.73%0.02616%0.16CC..  trans-67.7158.1172.430.7-35.9000111.1W10 V11 D205 L206 L207 G267 I294W10-P269 HydrophobicContact CZ2-CG 4.15Å; V11-P269 HydrophobicContact CG2-CB 4.16Å; V11-P269 HydrophobicContact CG2-CG 3.73Å; D205-P269 VanDerWaalsContact O-CD 3.27Å; D205-P269 WeakPolarHBondContact O-CD 3.47Å; D205-P269 VanDerWaalsContact O-CG 3.27Å; D205-P269 WeakPolarHBondContact O-CG 3.26Å; L206-P269 HydrophobicContact CD1-CB 4.45Å; L206-P269 HydrophobicContact CD1-CG 4.16Å; L207-P269 PolarHBondContact N-O 2.79Å; G267-P269 WeakPolarHBondContact O-CD 3.26Å; P269-I294 WeakPolarHBondContact CA-O 3.39Å
270S94.9Very high91.4Very high0 Ų030.4 Ų30.40%016%0.158CC..EExtended strand (participates in β ladder)trans-140.2156.5-179.962.10000113.1L207 A260 I294L207-S270 CarbonylContact O-C 3.55Å; L207-S270 WeakPolarHBondContact O-CA 3.5Å; L207-S270 VanDerWaalsContact O-CB 3.27Å; L207-S270 WeakPolarHBondContact O-CB 3.31Å; A260-S270 WeakPolarHBondContact CB-OG 3.39Å; S270-I294 PolarHBondContact N-O 2.86Å; S270-I294 VanDerWaalsContact N-O 3.09Å; S270-I294 PolarHBondContact O-N 3.49Å
271V95.4Very high91.6Very high0 Ų030.3 Ų30.30%016%0.157CC..EExtended strand (participates in β ladder)trans-123.9125.1172.9-177.60000109.3I17 L206 L207 L208 T209 C273 I284 T292 L293I17-V271 HydrophobicContact CD1-CG2 4.23Å; L206-V271 HydrophobicContact CD1-CG2 4.33Å; L207-V271 PolarHBondContact O-N 2.77Å; L208-V271 HydrophobicContact CD2-CB 3.72Å; L208-V271 HydrophobicContact CD2-CG2 4Å; T209-V271 PolarHBondContact N-O 2.99Å; V271-C273 HydrophobicContact CG1-CB 4.4Å; V271-I284 HydrophobicContact CB-CG2 4.37Å; V271-I284 HydrophobicContact CG1-CD1 3.82Å; V271-I284 HydrophobicContact CG1-CG1 4.27Å; V271-I284 HydrophobicContact CG1-CG2 4.27Å; V271-I284 HydrophobicContact CG2-CG2 4Å; V271-T292 VanDerWaalsContact CA-O 3.3Å; V271-T292 WeakPolarHBondContact CA-O 3.42Å; V271-L293 HydrophobicContact CG2-CB 4.42Å; V271-L293 HydrophobicContact CG2-CD1 3.82Å
272I94.7Very high91.8Very high0 Ų030.2 Ų30.20%016%0.155CC..EExtended strand (participates in β ladder)trans-99124.1170.9-57.7175.1000107.9V213 V216 M253 K256 L257 G291 T292 I294V213-I272 HydrophobicContact CG2-CG2 4.37Å; V216-I272 HydrophobicContact CG2-CD1 4.17Å; M253-I272 HydrophobicContact CE-CD1 3.62Å; M253-I272 HydrophobicContact CE-CG2 4.22Å; K256-I272 HydrophobicContact CB-CD1 3.83Å; L257-I272 HydrophobicContact CD2-CD1 4.49Å; I272-G291 CarbonylContact O-C 3.59Å; I272-G291 WeakPolarHBondContact O-CA 3.48Å; I272-T292 PolarHBondContact N-O 2.92Å; I272-T292 PolarHBondContact O-N 3.19Å; I272-I294 HydrophobicContact CD1-CD1 3.58Å; I272-I294 HydrophobicContact CG1-CD1 4Å
273C94.5Very high91.8Very high0 Ų028.5 Ų28.50%015%0.151CC..EExtended strand (participates in β ladder)trans-149.7167-175.759.40000112.5T209 L210 S211 V213 V271 G275 V280 I284T209-C273 PolarHBondContact O-N 3.26Å; T209-C273 VanDerWaalsContact O-N 3.11Å; L210-C273 WeakPolarHBondContact CD2-SG 3.28Å; S211-C273 PolarHBondContact N-O 3.41Å; V213-C273 CarbonylContact O-C 3.57Å; V271-C273 HydrophobicContact CG1-CB 4.4Å; C273-G275 PolarHBondContact O-N 3.25Å; C273-V280 HydrophobicContact CB-CG2 3.99Å; C273-I284 HydrophobicContact CB-CD1 3.88Å; C273-I284 WeakPolarHBondContact SG-CD1 3.45Å
274N93.4Very high91.8Very high23 Ų2328.5 Ų28.512%0.12315%0.151CC..EExtended strand (participates in β ladder)trans-81.8110.2177.4-170.8-14000110.8S211 V213 D214 K276 S277 V280S211-N274 CarbonylContact O-C 3.41Å; S211-N274 WeakPolarHBondContact O-CA 3.44Å; S211-N274 PolarHBondContact O-OD1 3.28Å; V213-N274 VanDerWaalsContact O-CA 3.24Å; V213-N274 WeakPolarHBondContact O-CA 3.41Å; V213-N274 WeakPolarHBondContact O-CB 3.5Å; V213-N274 PolarHBondContact O-N 2.72Å; D214-N274 VanDerWaalsContact OD1-CB 3.3Å; D214-N274 WeakPolarHBondContact OD1-CB 3.41Å; D214-N274 PolarHBondContact OD1-ND2 2.98Å; N274-K276 PolarHBondContact O-N 3.23Å; N274-K276 VanDerWaalsContact O-N 3.1Å; N274-K276 VanDerWaalsContact OD1-CB 3.23Å; N274-K276 WeakPolarHBondContact OD1-CB 3.35Å; N274-K276 WeakPolarHBondContact OD1-CG 3.42Å; N274-K276 PolarHBondContact OD1-N 2.81Å; N274-S277 WeakPolarHBondContact O-CB 3.5Å; N274-S277 PolarHBondContact O-N 3.24Å; N274-S277 VanDerWaalsContact O-N 3.1Å; N274-S277 PolarHBondContact O-OG 3.42Å; N274-V280 WeakPolarHBondContact O-CG2 3.44Å
275G90.5Very high91.9Very high3 Ų328.5 Ų28.53%0.03115%0.151CC..THydrogen-bonded Turntrans-67.2-5.517700000114.4S211 C273S211-G275 PolarHBondContact O-N 2.77Å; C273-G275 PolarHBondContact O-N 3.25Å
276K89.8Confident91.8Very high91 Ų9127.5 Ų27.540%0.39615%0.151SC..THydrogen-bonded Turntrans-87.7-13.4172.8-51.9-171.4176.8-177.50113.1N274N274-K276 PolarHBondContact O-N 3.23Å; N274-K276 VanDerWaalsContact O-N 3.1Å; N274-K276 VanDerWaalsContact OD1-CB 3.23Å; N274-K276 WeakPolarHBondContact OD1-CB 3.35Å; N274-K276 WeakPolarHBondContact OD1-CG 3.42Å; N274-K276 PolarHBondContact OD1-N 2.81Å
277S89Confident91.3Very high46 Ų4625.4 Ų25.432%0.32214%0.143SC..SBendtrans-71.9142.6-179.5-60.20000111.4N274 V280N274-S277 WeakPolarHBondContact O-CB 3.5Å; N274-S277 PolarHBondContact O-N 3.24Å; N274-S277 VanDerWaalsContact O-N 3.1Å; N274-S277 PolarHBondContact O-OG 3.42Å; S277-V280 WeakPolarHBondContact O-CB 3.49Å
278E85.6Confident91.1Very high156 Ų15630.3 Ų30.373%0.72915%0.153SC*.THydrogen-bonded Turntrans-64.6135.9178.9-168.3-176.2170.300111.1V280 N283E278-V280 PolarHBondContact O-N 2.88Å; E278-N283 PolarHBondContact O-ND2 3.17Å
279N90.4Very high90.4Very high62 Ų6234.3 Ų34.333%0.33217%0.17SC..THydrogen-bonded Turntrans50.428.2178.5-64.3-38.8000114Q51 I281 L282 N283Q51-N279 VanDerWaalsContact OE1-CA 3.27Å; N279-I281 VanDerWaalsContact C-N 3.31Å; N279-I281 PolarHBondContact O-N 2.61Å; N279-L282 PolarHBondContact O-N 2.87Å; N279-N283 VanDerWaalsContact O-CB 3.26Å; N279-N283 WeakPolarHBondContact O-CB 3.47Å; N279-N283 PolarHBondContact O-N 2.9Å; N279-N283 PolarHBondContact O-ND2 2.94Å
280V94.1Very high90.1Very high0 Ų035.9 Ų35.90%018%0.179CC..Hα-helixtrans-53.9-44-173.462.70000112.9L210 C273 N274 S277 E278 I284 V290L210-V280 HydrophobicContact CD2-CG1 4.32Å; C273-V280 HydrophobicContact CB-CG2 3.99Å; N274-V280 WeakPolarHBondContact O-CG2 3.44Å; S277-V280 WeakPolarHBondContact O-CB 3.49Å; E278-V280 PolarHBondContact O-N 2.88Å; V280-I284 HydrophobicContact CG2-CD1 3.97Å; V280-I284 WeakPolarHBondContact O-CD1 3.42Å; V280-I284 WeakPolarHBondContact O-CG1 3.31Å; V280-I284 PolarHBondContact O-N 3.14Å; V280-I284 VanDerWaalsContact O-N 3.1Å; V280-V290 HydrophobicContact CG2-CG1 3.83Å
281I95.8Very high89.8Confident0 Ų036.2 Ų36.20%018%0.182CC..Hα-helixtrans-68.5-49.7-178-62.1172.4000109.7I25 I48 Q51 I52 L55 L208 L210 N279 N283 I284 M285I25-I281 HydrophobicContact CD1-CD1 4.19Å; I25-I281 HydrophobicContact CD1-CG2 4.26Å; I48-I281 HydrophobicContact CG2-CD1 3.99Å; Q51-I281 HydrophobicContact CB-CB 4.08Å; Q51-I281 HydrophobicContact CB-CD1 4.17Å; I52-I281 HydrophobicContact CD1-CD1 4.23Å; I52-I281 HydrophobicContact CG1-CD1 3.74Å; L55-I281 HydrophobicContact CD1-CG2 3.39Å; L55-I281 HydrophobicContact CG-CG2 4.2Å; L208-I281 HydrophobicContact CD1-CG2 4.18Å; L210-I281 HydrophobicContact CD1-CD1 4.08Å; L210-I281 HydrophobicContact CD1-CG1 4.27Å; L210-I281 HydrophobicContact CD2-CG1 4.36Å; N279-I281 VanDerWaalsContact C-N 3.31Å; N279-I281 PolarHBondContact O-N 2.61Å; I281-N283 VanDerWaalsContact C-N 3.33Å; I281-N283 PolarHBondContact O-N 3.34Å; I281-I284 PolarHBondContact O-N 3.16Å; I281-M285 HydrophobicContact CG2-CG 4.49Å; I281-M285 WeakPolarHBondContact O-CB 2.96Å; I281-M285 WeakPolarHBondContact O-CG 3.32Å; I281-M285 PolarHBondContact O-N 3.36Å
282L93.2Very high89.6Confident33 Ų3336.2 Ų36.217%0.17318%0.182CC..Hα-helixtrans-63.7-39.4-179.6-62174.3000111.7Q51 E54 L55 N279 M285 A286Q51-L282 HydrophobicContact CB-CD1 4.38Å; Q51-L282 HydrophobicContact CB-CG 4.05Å; Q51-L282 HydrophobicContact CG-CD1 3.92Å; Q51-L282 HydrophobicContact CG-CG 3.94Å; E54-L282 HydrophobicContact CB-CD2 4.28Å; E54-L282 HydrophobicContact CG-CD2 4.2Å; E54-L282 WeakPolarHBondContact OE2-CD1 3.46Å; L55-L282 HydrophobicContact CD2-CD2 4.03Å; L55-L282 HydrophobicContact CG-CD2 4.31Å; N279-L282 PolarHBondContact O-N 2.87Å; L282-M285 PolarHBondContact O-N 3.31Å; L282-A286 WeakPolarHBondContact O-CB 3.05Å; L282-A286 PolarHBondContact O-N 3.29Å
283N90.8Very high89.4Confident30 Ų3036.2 Ų36.216%0.1618%0.182CC..Hα-helixtrans-61.9-44.6176.4-75.1-37.1000111.6E278 N279 I281 A286 R288 V290E278-N283 PolarHBondContact O-ND2 3.17Å; N279-N283 VanDerWaalsContact O-CB 3.26Å; N279-N283 WeakPolarHBondContact O-CB 3.47Å; N279-N283 PolarHBondContact O-N 2.9Å; N279-N283 PolarHBondContact O-ND2 2.94Å; I281-N283 VanDerWaalsContact C-N 3.33Å; I281-N283 PolarHBondContact O-N 3.34Å; N283-A286 PolarHBondContact O-N 3.1Å; N283-R288 HydrophobicContact CB-CB 4.44Å; N283-R288 VanDerWaalsContact O-CB 3.22Å; N283-R288 WeakPolarHBondContact O-CB 3.22Å; N283-R288 WeakPolarHBondContact O-CG 3.16Å; N283-R288 PolarHBondContact O-N 2.93Å; N283-R288 WeakPolarHBondContact OD1-CD 3.3Å; N283-R288 PolarHBondContact OD1-NH1 3.12Å; N283-V290 HydrophobicContact CB-CB 4.5Å; N283-V290 HydrophobicContact CB-CG2 3.75Å
284I92.4Very high89.2Confident0 Ų036.2 Ų36.20%018%0.182CC..Hα-helixtrans-64-46.5176.3-67.8163.4000110.4I17 L208 V271 C273 V280 I281 A286 G287 V290I17-I284 HydrophobicContact CD1-CG2 4.4Å; I17-I284 HydrophobicContact CG2-CG2 4.32Å; L208-I284 HydrophobicContact CD2-CD1 4.49Å; L208-I284 HydrophobicContact CD2-CG2 3.78Å; V271-I284 HydrophobicContact CB-CG2 4.37Å; V271-I284 HydrophobicContact CG1-CD1 3.82Å; V271-I284 HydrophobicContact CG1-CG1 4.27Å; V271-I284 HydrophobicContact CG1-CG2 4.27Å; V271-I284 HydrophobicContact CG2-CG2 4Å; C273-I284 HydrophobicContact CB-CD1 3.88Å; C273-I284 WeakPolarHBondContact SG-CD1 3.45Å; V280-I284 HydrophobicContact CG2-CD1 3.97Å; V280-I284 WeakPolarHBondContact O-CD1 3.42Å; V280-I284 WeakPolarHBondContact O-CG1 3.31Å; V280-I284 PolarHBondContact O-N 3.14Å; V280-I284 VanDerWaalsContact O-N 3.1Å; I281-I284 PolarHBondContact O-N 3.16Å; I284-A286 PolarHBondContact O-N 3.26Å; I284-G287 WeakPolarHBondContact O-CA 3.4Å; I284-G287 PolarHBondContact O-N 3.49Å; I284-V290 HydrophobicContact CD1-CG1 4.36Å; I284-V290 HydrophobicContact CG1-CB 3.89Å; I284-V290 HydrophobicContact CG1-CG1 4.11Å
285M92.3Very high89Confident12 Ų1235.1 Ų35.16%0.05918%0.177CC..Hα-helixtrans-65.6-28.1179.1-69.7-53.4-58.200112.9I17 K18 A20 I23 L55 L206 I281 L282 G287I17-M285 HydrophobicContact CG2-CE 4.44Å; I17-M285 HydrophobicContact CG2-SD 3.91Å; K18-M285 WeakPolarHBondContact CG-O 3.48Å; A20-M285 HydrophobicContact CB-CE 4.34Å; I23-M285 HydrophobicContact CD1-CE 3.48Å; I23-M285 VanDerWaalsContact CD1-CE 3.48Å; I23-M285 HydrophobicContact CD1-SD 3.63Å; L55-M285 HydrophobicContact CD1-CG 3.92Å; L55-M285 HydrophobicContact CD2-CB 4.04Å; L55-M285 HydrophobicContact CD2-CG 3.8Å; L206-M285 HydrophobicContact CD2-SD 3.94Å; I281-M285 HydrophobicContact CG2-CG 4.49Å; I281-M285 WeakPolarHBondContact O-CB 2.96Å; I281-M285 WeakPolarHBondContact O-CG 3.32Å; I281-M285 PolarHBondContact O-N 3.36Å; L282-M285 PolarHBondContact O-N 3.31Å; M285-G287 PolarHBondContact O-N 3.48Å
286A84.9Confident88.5Confident38 Ų3836.7 Ų36.731%0.31419%0.189SC..THydrogen-bonded Turntrans-76.45.917100000113.6K18 L282 N283 I284 R288K18-A286 WeakPolarHBondContact CE-O 3.41Å; K18-A286 PolarHBondContact NZ-O 2.9Å; L282-A286 WeakPolarHBondContact O-CB 3.05Å; L282-A286 PolarHBondContact O-N 3.29Å; N283-A286 PolarHBondContact O-N 3.1Å; I284-A286 PolarHBondContact O-N 3.26Å; A286-R288 VanDerWaalsContact C-N 3.28Å; A286-R288 HydrophobicContact CB-CG 4.35Å; A286-R288 PolarHBondContact O-N 2.93Å
287G80.8Confident87.5Confident1 Ų133.4 Ų33.41%0.0118%0.179CC..THydrogen-bonded Turntrans793.6178.600000114.7R14 I284 M285R14-G287 WeakPolarHBondContact CB-O 3.08Å; I284-G287 WeakPolarHBondContact O-CA 3.4Å; I284-G287 PolarHBondContact O-N 3.49Å; M285-G287 PolarHBondContact O-N 3.48Å
288R83.2Confident86Confident132 Ų13234 Ų3450%0.49818%0.183SC..  trans-67.6155.1-176.9-58.4-177.8179.1177.9-3.5111.2R14 N283 A286 V290 E501R14-R288 PolarHBondContact NH1-O 2.9Å; N283-R288 HydrophobicContact CB-CB 4.44Å; N283-R288 VanDerWaalsContact O-CB 3.22Å; N283-R288 WeakPolarHBondContact O-CB 3.22Å; N283-R288 WeakPolarHBondContact O-CG 3.16Å; N283-R288 PolarHBondContact O-N 2.93Å; N283-R288 WeakPolarHBondContact OD1-CD 3.3Å; N283-R288 PolarHBondContact OD1-NH1 3.12Å; A286-R288 VanDerWaalsContact C-N 3.28Å; A286-R288 HydrophobicContact CB-CG 4.35Å; A286-R288 PolarHBondContact O-N 2.93Å; R288-V290 HydrophobicContact CB-CG2 4.41Å; R288-V290 PolarHBondContact O-N 2.87Å; R288-E501 WeakPolarHBondContact CA-OE2 3.22Å
289K78.9Confident84.6Confident90 Ų9027.5 Ų27.539%0.39115%0.153SC..  trans-7561.3178.1-163.2-174172.6-171.50113.4R14R14-K289 VanDerWaalsContact NH1-CA 3.34Å
290V86.7Confident82.5Confident37 Ų3731.1 Ų31.122%0.22418%0.178CC..  trans-105.1133.9172.9-1800000110.2R14 V280 N283 I284 R288R14-V290 PolarHBondContact NH1-O 3.05Å; R14-V290 PolarHBondContact NH2-O 3.45Å; V280-V290 HydrophobicContact CG2-CG1 3.83Å; N283-V290 HydrophobicContact CB-CB 4.5Å; N283-V290 HydrophobicContact CB-CG2 3.75Å; I284-V290 HydrophobicContact CD1-CG1 4.36Å; I284-V290 HydrophobicContact CG1-CB 3.89Å; I284-V290 HydrophobicContact CG1-CG1 4.11Å; R288-V290 HydrophobicContact CB-CG2 4.41Å; R288-V290 PolarHBondContact O-N 2.87Å
291G89.3Confident80.4Confident6 Ų633.5 Ų33.56%0.06219%0.189CC..SBendtrans71.6-166.7-17700000114.6R14 D214 I272R14-G291 PolarHBondContact NH2-O 3.26Å; D214-G291 VanDerWaalsContact O-CA 3.27Å; D214-G291 WeakPolarHBondContact O-CA 3.24Å; I272-G291 CarbonylContact O-C 3.59Å; I272-G291 WeakPolarHBondContact O-CA 3.48Å
292T90.9Very high78.3Confident0 Ų036.6 Ų36.60%021%0.214CC..EExtended strand (participates in β ladder)trans-109.4118.7170.3-53.20000109.8V216 L229 V271 I272 I294V216-T292 HydrophobicContact CB-CG2 3.89Å; V216-T292 HydrophobicContact CG2-CG2 3.64Å; V216-T292 PolarHBondContact N-OG1 3.36Å; L229-T292 HydrophobicContact CB-CG2 4.06Å; L229-T292 WeakPolarHBondContact O-CA 3.46Å; L229-T292 VanDerWaalsContact O-CB 3.23Å; L229-T292 WeakPolarHBondContact O-CB 3.26Å; L229-T292 WeakPolarHBondContact O-CG2 3.37Å; L229-T292 PolarHBondContact O-OG1 2.74Å; V271-T292 VanDerWaalsContact CA-O 3.3Å; V271-T292 WeakPolarHBondContact CA-O 3.42Å; I272-T292 PolarHBondContact N-O 2.92Å; I272-T292 PolarHBondContact O-N 3.19Å; T292-I294 HydrophobicContact CG2-CG1 4.34Å
293L91.3Very high76.8Confident0 Ų038.6 Ų38.60%023%0.225CC..EExtended strand (participates in β ladder)trans-79.3124.1169172.263.8000109.3V11 R14 I17 G230 H231 Y232 V271 A295 L299V11-L293 HydrophobicContact CG1-CD1 4.5Å; V11-L293 HydrophobicContact CG1-CD2 3.83Å; R14-L293 HydrophobicContact CG-CB 4.46Å; R14-L293 HydrophobicContact CG-CD2 3.67Å; I17-L293 HydrophobicContact CD1-CD1 4.02Å; I17-L293 HydrophobicContact CD1-CD2 4.24Å; G230-L293 PolarHBondContact O-N 2.96Å; G230-L293 VanDerWaalsContact O-N 3.13Å; H231-L293 CarbonylContact C-O 3.59Å; H231-L293 VanDerWaalsContact CA-O 3.28Å; H231-L293 WeakPolarHBondContact CA-O 3.41Å; H231-L293 PolarHBondContact CD2-O 3.38Å; H231-L293 VanDerWaalsContact CD2-O 3.27Å; Y232-L293 PolarHBondContact N-O 3.13Å; V271-L293 HydrophobicContact CG2-CB 4.42Å; V271-L293 HydrophobicContact CG2-CD1 3.82Å; L293-A295 HydrophobicContact CD1-CB 4.41Å; L293-A295 HydrophobicContact CD2-CB 4.48Å; L293-A295 HydrophobicContact CG-CB 4.19Å; L293-L299 HydrophobicContact CD2-CD1 4.08Å
294I91Very high75.8Confident0 Ų037.7 Ų37.70%022%0.22CC..EExtended strand (participates in β ladder)trans-105.9106.4176.2-58.3172.7000107.7V216 Y232 P234 L257 A260 L264 P269 S270 I272 T292V216-I294 HydrophobicContact CG2-CD1 4.45Å; Y232-I294 HydrophobicContact CD1-CG1 4.32Å; Y232-I294 VanDerWaalsContact O-CA 3.32Å; Y232-I294 WeakPolarHBondContact O-CA 3.45Å; P234-I294 HydrophobicContact CG-CG2 3.99Å; L257-I294 HydrophobicContact CD2-CD1 3.89Å; A260-I294 HydrophobicContact CB-CD1 3.44Å; A260-I294 VanDerWaalsContact CB-CD1 3.44Å; A260-I294 HydrophobicContact CB-CG2 4.3Å; L264-I294 HydrophobicContact CD2-CG2 4.1Å; P269-I294 WeakPolarHBondContact CA-O 3.39Å; S270-I294 PolarHBondContact N-O 2.86Å; S270-I294 VanDerWaalsContact N-O 3.09Å; S270-I294 PolarHBondContact O-N 3.49Å; I272-I294 HydrophobicContact CD1-CD1 3.58Å; I272-I294 HydrophobicContact CG1-CD1 4Å; T292-I294 HydrophobicContact CG2-CG1 4.34Å
295A87.9Confident75Confident1 Ų140.6 Ų40.61%0.00823%0.234CC..  trans-140.6163.1-174.900000111.7V11 Y232 C233 L293V11-A295 HydrophobicContact CB-CB 4.44Å; V11-A295 HydrophobicContact CG1-CB 4.32Å; Y232-A295 PolarHBondContact O-N 2.94Å; C233-A295 WeakPolarHBondContact CA-O 3.3Å; C233-A295 WeakPolarHBondContact CB-O 3.32Å; L293-A295 HydrophobicContact CD1-CB 4.41Å; L293-A295 HydrophobicContact CD2-CB 4.48Å; L293-A295 HydrophobicContact CG-CB 4.19Å
296A79.5Confident74.1Confident36 Ų3644.2 Ų44.230%0.29825%0.251SS..SBendtrans-84.7-9.3-171.400000114P9 Y235 L264P9-A296 HydrophobicContact CB-CB 4.06Å; P9-A296 HydrophobicContact CG-CB 4.08Å; Y235-A296 HydrophobicContact CD2-CB 4.15Å; Y235-A296 HydrophobicContact CE2-CB 3.67Å; L264-A296 HydrophobicContact CD1-CB 4.08Å; L264-A296 HydrophobicContact CD2-CB 4.42Å; L264-A296 HydrophobicContact CG-CB 4.35Å
297A69.1Low74Confident22 Ų2243.9 Ų43.918%0.18224%0.243CC..SBendtrans-102.3129.5173.300000108.9P9 H231 L299P9-A297 HydrophobicContact CB-CB 4.21Å; P9-A297 HydrophobicContact CG-CB 4.19Å; H231-A297 PolarHBondContact CE1-O 2.86Å; H231-A297 PolarHBondContact NE2-O 3.2Å; H231-A297 VanDerWaalsContact NE2-O 3.13Å; A297-L299 PolarHBondContact O-N 3.31Å
298S58.6Low74.3Confident59 Ų5943.9 Ų43.941%0.41324%0.242SC..  trans-60.9113.8162.8-176.10000107.3T300S298-T300 PolarHBondContact O-N 3.16Å
299L56.2Low74.4Confident19 Ų1939.1 Ų39.110%0.09923%0.228CC..  trans-67.9104.3168.1-62.3-175.4000105.9K12 R14 H231 L293 A297 E301K12-L299 WeakPolarHBondContact O-CD2 3.49Å; R14-L299 HydrophobicContact CG-CD1 4.41Å; H231-L299 HydrophobicContact CB-CB 4.47Å; H231-L299 HydrophobicContact CB-CD1 3.95Å; H231-L299 HydrophobicContact CB-CG 4.39Å; H231-L299 VanDerWaalsContact CD2-CD1 3.43Å; H231-L299 WeakPolarHBondContact CD2-CD1 3.42Å; L293-L299 HydrophobicContact CD2-CD1 4.08Å; A297-L299 PolarHBondContact O-N 3.31Å; L299-E301 HydrophobicContact CB-CG 4.17Å; L299-E301 PolarHBondContact O-N 3.41Å
300T46.7Very low74.8Confident137 Ų13736.9 Ų36.984%0.8422%0.22SC*.  trans-69.653.1164.248.50000109.3S298 A302S298-T300 PolarHBondContact O-N 3.16Å; T300-A302 PolarHBondContact O-N 3.28Å
301E49.9Very low75Confident51 Ų5135.1 Ų35.124%0.23821%0.209CC..  trans-84.2101.4163.5-72.4175.1-169.100103.9L299 L303 R499L299-E301 HydrophobicContact CB-CG 4.17Å; L299-E301 PolarHBondContact O-N 3.41Å; E301-L303 VanDerWaalsContact C-N 3.34Å; E301-L303 PolarHBondContact O-N 3.02Å; E301-R499 VanDerWaalsContact CD-NH2 3.34Å; E301-R499 IonicContact OE1-CZ 3.14Å; E301-R499 IonicContact OE1-NH1 2.91Å; E301-R499 PolarHBondContact OE1-NH1 2.92Å; E301-R499 IonicContact OE1-NH2 3.33Å; E301-R499 PolarHBondContact OE1-NH2 3.36Å; E301-R499 IonicContact OE2-NH1 3.22Å; E301-R499 PolarHBondContact OE2-NH1 2.78Å
302A50.7Low75.2Confident64 Ų6438.2 Ų38.253%0.52922%0.219SC..  trans-49.5111.9160.800000105.2T300 V304 Q307T300-A302 PolarHBondContact O-N 3.28Å; A302-V304 PolarHBondContact O-N 3.49Å; A302-V304 VanDerWaalsContact O-N 3.07Å; A302-Q307 HydrophobicContact CB-CG 4.47Å
303L61.5Low75.1Confident75 Ų7541.5 Ų41.539%0.39324%0.236SC..  trans-51.4127.9-179.8-115.973.1000105.6E301 E305 Q306 Q307E301-L303 VanDerWaalsContact C-N 3.34Å; E301-L303 PolarHBondContact O-N 3.02Å; L303-E305 HydrophobicContact CB-CB 4.39Å; L303-E305 HydrophobicContact CD2-CB 4.47Å; L303-E305 CarbonylContact O-C 3.51Å; L303-E305 PolarHBondContact O-N 3.29Å; L303-Q306 HydrophobicContact CB-CB 4.06Å; L303-Q306 VanDerWaalsContact O-CA 3.3Å; L303-Q306 WeakPolarHBondContact O-CA 3.45Å; L303-Q306 WeakPolarHBondContact O-CB 3.44Å; L303-Q306 PolarHBondContact O-N 3.47Å; L303-Q307 PolarHBondContact O-N 3Å; L303-Q307 VanDerWaalsContact O-N 3.12Å
304V70.5Confident75Confident11 Ų1141.6 Ų41.67%0.06724%0.237CC..Hα-helixtrans-48.5-35.3175.2174.80000110.8A302 Q307 A308 D502 L506 M509A302-V304 PolarHBondContact O-N 3.49Å; A302-V304 VanDerWaalsContact O-N 3.07Å; V304-Q307 WeakPolarHBondContact O-CB 3.24Å; V304-Q307 PolarHBondContact O-N 3.35Å; V304-A308 PolarHBondContact O-N 2.95Å; V304-D502 HydrophobicContact CB-CB 4.42Å; V304-D502 HydrophobicContact CG1-CB 3.98Å; V304-D502 HydrophobicContact CG2-CB 3.53Å; V304-D502 WeakPolarHBondContact CG2-OD1 3.28Å; V304-D502 WeakPolarHBondContact CG2-OD2 3.21Å; V304-L506 HydrophobicContact CG1-CD1 3.91Å; V304-L506 HydrophobicContact CG1-CD2 3.3Å; V304-L506 HydrophobicContact CG1-CG 3.29Å; V304-M509 HydrophobicContact CB-CE 4.35Å; V304-M509 HydrophobicContact CG1-CE 4.06Å
305E75.1Confident75.1Confident61 Ų6141.8 Ų41.829%0.28524%0.238SC..Hα-helixtrans-60.1-44.9170.6-170.9178.1-179.400113.2L303 Q307 A308 V309 M509 Y512L303-E305 HydrophobicContact CB-CB 4.39Å; L303-E305 HydrophobicContact CD2-CB 4.47Å; L303-E305 CarbonylContact O-C 3.51Å; L303-E305 PolarHBondContact O-N 3.29Å; E305-Q307 VanDerWaalsContact C-N 3.3Å; E305-Q307 PolarHBondContact O-N 3.02Å; E305-A308 WeakPolarHBondContact O-CB 3.42Å; E305-A308 PolarHBondContact O-N 2.77Å; E305-A308 VanDerWaalsContact O-N 3.08Å; E305-V309 VanDerWaalsContact O-CG2 3.31Å; E305-V309 WeakPolarHBondContact O-CG2 3.38Å; E305-V309 PolarHBondContact O-N 3.12Å; E305-M509 HydrophobicContact CB-CE 3.74Å; E305-M509 HydrophobicContact CB-SD 4.27Å; E305-M509 HydrophobicContact CG-CE 4.38Å; E305-Y512 HydrophobicContact CG-CD2 4.44Å; E305-Y512 HydrophobicContact CG-CE2 3.92Å
306Q73.9Confident75.3Confident89 Ų8948.4 Ų48.442%0.41626%0.263SS..Hα-helixtrans-60.4-39.6175.8-172.257.852.800111.3L303 A308 V309 D310L303-Q306 HydrophobicContact CB-CB 4.06Å; L303-Q306 VanDerWaalsContact O-CA 3.3Å; L303-Q306 WeakPolarHBondContact O-CA 3.45Å; L303-Q306 WeakPolarHBondContact O-CB 3.44Å; L303-Q306 PolarHBondContact O-N 3.47Å; Q306-A308 VanDerWaalsContact C-N 3.31Å; Q306-A308 PolarHBondContact O-N 3.07Å; Q306-V309 PolarHBondContact O-N 3.27Å; Q306-D310 WeakPolarHBondContact CG-OD2 3.31Å; Q306-D310 PolarHBondContact NE2-OD1 3.34Å; Q306-D310 PolarHBondContact NE2-OD2 3.2Å; Q306-D310 WeakPolarHBondContact O-CB 3.4Å; Q306-D310 VanDerWaalsContact O-CG 3.28Å; Q306-D310 PolarHBondContact O-N 2.82Å
307Q82.8Confident75.9Confident31 Ų3151.4 Ų51.415%0.14527%0.267CS..Hα-helixtrans-61.1-40.6174-62.9-176.7-16.600111.8A302 L303 V304 E305 A311 L461A302-Q307 HydrophobicContact CB-CG 4.47Å; L303-Q307 PolarHBondContact O-N 3Å; L303-Q307 VanDerWaalsContact O-N 3.12Å; V304-Q307 WeakPolarHBondContact O-CB 3.24Å; V304-Q307 PolarHBondContact O-N 3.35Å; E305-Q307 VanDerWaalsContact C-N 3.3Å; E305-Q307 PolarHBondContact O-N 3.02Å; Q307-A311 VanDerWaalsContact O-CB 3.25Å; Q307-A311 WeakPolarHBondContact O-CB 3.31Å; Q307-A311 PolarHBondContact O-N 3Å; Q307-L461 HydrophobicContact CB-CD2 4.36Å
308A86.1Confident77.1Confident0 Ų050.3 Ų50.30%026%0.258CS..Hα-helixtrans-68-40.8176.400000112.5V304 E305 Q306 A311 R312 L461 M509 Y512 I513V304-A308 PolarHBondContact O-N 2.95Å; E305-A308 WeakPolarHBondContact O-CB 3.42Å; E305-A308 PolarHBondContact O-N 2.77Å; E305-A308 VanDerWaalsContact O-N 3.08Å; Q306-A308 VanDerWaalsContact C-N 3.31Å; Q306-A308 PolarHBondContact O-N 3.07Å; A308-A311 PolarHBondContact O-N 3.01Å; A308-R312 PolarHBondContact O-N 3.46Å; A308-L461 HydrophobicContact CB-CD1 4.04Å; A308-M509 HydrophobicContact CB-SD 4.14Å; A308-Y512 HydrophobicContact CB-CG 4.41Å; A308-I513 HydrophobicContact CB-CG1 4.35Å
309V86.1Confident78.6Confident32 Ų3251.5 Ų51.519%0.19426%0.257CS..Hα-helixtrans-61.3-48.2174.1172.10000110.8E305 Q306 R312 I313 Y512E305-V309 VanDerWaalsContact O-CG2 3.31Å; E305-V309 WeakPolarHBondContact O-CG2 3.38Å; E305-V309 PolarHBondContact O-N 3.12Å; Q306-V309 PolarHBondContact O-N 3.27Å; V309-R312 WeakPolarHBondContact O-CB 3.39Å; V309-R312 PolarHBondContact O-N 3.15Å; V309-R312 VanDerWaalsContact O-N 3.15Å; V309-I313 HydrophobicContact CG1-CD1 3.86Å; V309-I313 WeakPolarHBondContact O-CG1 3.17Å; V309-I313 PolarHBondContact O-N 3.22Å; V309-Y512 HydrophobicContact CG2-CD1 3.94Å; V309-Y512 HydrophobicContact CG2-CD2 4.37Å; V309-Y512 HydrophobicContact CG2-CE1 3.58Å; V309-Y512 HydrophobicContact CG2-CE2 4.03Å; V309-Y512 HydrophobicContact CG2-CG 4.33Å
310D87.4Confident80.2Confident43 Ų4360.6 Ų60.623%0.2329%0.29CS..Hα-helixtrans-66.1-39.8-179.3-72.4-32.1000111.6Q306 R312 I313 C314 E492Q306-D310 WeakPolarHBondContact CG-OD2 3.31Å; Q306-D310 PolarHBondContact NE2-OD1 3.34Å; Q306-D310 PolarHBondContact NE2-OD2 3.2Å; Q306-D310 WeakPolarHBondContact O-CB 3.4Å; Q306-D310 VanDerWaalsContact O-CG 3.28Å; Q306-D310 PolarHBondContact O-N 2.82Å; D310-R312 VanDerWaalsContact C-N 3.32Å; D310-R312 PolarHBondContact O-N 2.98Å; D310-I313 PolarHBondContact O-N 3.11Å; D310-C314 WeakPolarHBondContact O-CB 3.49Å; D310-C314 PolarHBondContact O-N 3.22Å; D310-C314 PolarHBondContact O-SG 3.16Å; D310-E492 HydrophobicContact CB-CB 4.26Å
311A91.5Very high82.5Confident0 Ų055.3 Ų55.30%026%0.256CS..Hα-helixtrans-58.8-43.3171.400000111.3Q307 A308 C314 G315 V434 A459 L461Q307-A311 VanDerWaalsContact O-CB 3.25Å; Q307-A311 WeakPolarHBondContact O-CB 3.31Å; Q307-A311 PolarHBondContact O-N 3Å; A308-A311 PolarHBondContact O-N 3.01Å; A311-C314 PolarHBondContact O-N 3.2Å; A311-G315 PolarHBondContact O-N 3.32Å; A311-V434 HydrophobicContact CB-CG1 3.95Å; A311-V434 HydrophobicContact CB-CG2 4.38Å; A311-A459 HydrophobicContact CB-CB 4.07Å; A311-A459 WeakPolarHBondContact O-CB 3.42Å; A311-L461 HydrophobicContact CB-CD2 3.94Å; A311-L461 HydrophobicContact CB-CG 4.39Å
312R91.6Very high84.6Confident71 Ų7155.4 Ų55.427%0.26826%0.263SS..Hα-helixtrans-65.7-44.3178.1-167.9166.4-176.984.3-6.3112.6A308 V309 D310 C314 R316 V434 Y512 D514A308-R312 PolarHBondContact O-N 3.46Å; V309-R312 WeakPolarHBondContact O-CB 3.39Å; V309-R312 PolarHBondContact O-N 3.15Å; V309-R312 VanDerWaalsContact O-N 3.15Å; D310-R312 VanDerWaalsContact C-N 3.32Å; D310-R312 PolarHBondContact O-N 2.98Å; R312-C314 VanDerWaalsContact C-N 3.33Å; R312-R316 PolarHBondContact O-N 3.27Å; R312-V434 VanDerWaalsContact CA-CG2 3.44Å; R312-V434 HydrophobicContact CB-CG2 3.7Å; R312-V434 HydrophobicContact CG-CG2 4.16Å; R312-Y512 PolarHBondContact NH1-O 3.4Å; R312-D514 IonicContact NH1-OD1 3.24Å; R312-D514 PolarHBondContact NH1-OD1 2.94Å; R312-D514 IonicContact NH1-OD2 2.72Å; R312-D514 PolarHBondContact NH1-OD2 3.34Å
313I90.1Very high86.8Confident70 Ų7053.9 Ų53.936%0.35925%0.246SC..Hα-helixtrans-63.7-42.7177-68.1169.6000110.2V309 D310 R316 R317V309-I313 HydrophobicContact CG1-CD1 3.86Å; V309-I313 WeakPolarHBondContact O-CG1 3.17Å; V309-I313 PolarHBondContact O-N 3.22Å; D310-I313 PolarHBondContact O-N 3.11Å; I313-R316 PolarHBondContact O-N 2.82Å; I313-R317 PolarHBondContact O-N 3.11Å
314C89.9Confident88.4Confident2 Ų255.7 Ų55.71%0.01425%0.252CS..Hα-helixtrans-75.2-33.6-178.3-67.70000112.6D310 A311 R312 R316 R317 L318 K489 E492 C493D310-C314 WeakPolarHBondContact O-CB 3.49Å; D310-C314 PolarHBondContact O-N 3.22Å; D310-C314 PolarHBondContact O-SG 3.16Å; A311-C314 PolarHBondContact O-N 3.2Å; R312-C314 VanDerWaalsContact C-N 3.33Å; C314-R316 VanDerWaalsContact C-N 3.26Å; C314-R316 PolarHBondContact O-N 3.29Å; C314-R317 CarbonylContact O-C 3.56Å; C314-R317 WeakPolarHBondContact O-CA 3.5Å; C314-R317 VanDerWaalsContact O-CB 3.32Å; C314-R317 WeakPolarHBondContact O-CB 3.03Å; C314-R317 PolarHBondContact O-N 3.31Å; C314-R317 PolarHBondContact SG-NH1 2.84Å; C314-L318 PolarHBondContact O-N 3.37Å; C314-K489 PolarHBondContact SG-O 2.9Å; C314-E492 HydrophobicContact CB-CB 4.18Å; C314-C493 VanDerWaalsContact CB-SG 3.59Å; C314-C493 PolarHBondContact O-SG 2.79Å
315G91.6Very high89.6Confident3 Ų358.7 Ų58.73%0.03127%0.265CS..Hα-helixtrans-56.1-39.9169.600000112.3A311 R317 L318 Q319A311-G315 PolarHBondContact O-N 3.32Å; G315-R317 VanDerWaalsContact C-N 3.29Å; G315-R317 PolarHBondContact O-N 3.09Å; G315-L318 WeakPolarHBondContact O-CB 3.47Å; G315-L318 PolarHBondContact O-N 2.92Å; G315-Q319 WeakPolarHBondContact O-CG 3.33Å; G315-Q319 PolarHBondContact O-N 3.03Å
316R91.6Very high90.6Very high140 Ų14056.1 Ų56.153%0.52825%0.253SS..Hα-helixtrans-65.9-28.1172.6-65.8175.5-174.9178.42.5113.4R312 I313 C314 R320R312-R316 PolarHBondContact O-N 3.27Å; I313-R316 PolarHBondContact O-N 2.82Å; C314-R316 VanDerWaalsContact C-N 3.26Å; C314-R316 PolarHBondContact O-N 3.29Å; R316-R320 WeakPolarHBondContact O-CG 3.4Å
317R93Very high91.7Very high99 Ų9951.9 Ų51.937%0.37423%0.233SC..Hα-helixtrans-75.5-42.8173.2-63.1175.5-176.9148.33.8110.6I313 C314 G315 Q319 R320 K489 L490I313-R317 PolarHBondContact O-N 3.11Å; C314-R317 CarbonylContact O-C 3.56Å; C314-R317 WeakPolarHBondContact O-CA 3.5Å; C314-R317 VanDerWaalsContact O-CB 3.32Å; C314-R317 WeakPolarHBondContact O-CB 3.03Å; C314-R317 PolarHBondContact O-N 3.31Å; C314-R317 PolarHBondContact SG-NH1 2.84Å; G315-R317 VanDerWaalsContact C-N 3.29Å; G315-R317 PolarHBondContact O-N 3.09Å; R317-Q319 VanDerWaalsContact C-N 3.26Å; R317-Q319 PolarHBondContact O-N 3.35Å; R317-R320 WeakPolarHBondContact O-CB 3.32Å; R317-R320 PolarHBondContact O-N 2.93Å; R317-K489 PolarHBondContact NH1-O 2.79Å; R317-L490 HydrophobicContact CB-CD2 3.88Å
318L93.9Very high92.4Very high0 Ų052 Ų520%024%0.237CC..Hα-helixtrans-58.4-38.4176.1-17470000111.9C314 G315 R320 L321 R326 I329 L454 L483 L490C314-L318 PolarHBondContact O-N 3.37Å; G315-L318 WeakPolarHBondContact O-CB 3.47Å; G315-L318 PolarHBondContact O-N 2.92Å; L318-R320 PolarHBondContact O-N 3.35Å; L318-L321 HydrophobicContact CD1-CD1 3.98Å; L318-L321 WeakPolarHBondContact O-CB 3.35Å; L318-L321 PolarHBondContact O-N 3.19Å; L318-R326 HydrophobicContact CD1-CG 4.27Å; L318-R326 PolarHBondContact O-NH1 2.78Å; L318-I329 HydrophobicContact CD1-CD1 4.43Å; L318-L454 HydrophobicContact CD1-CD2 4.24Å; L318-L454 HydrophobicContact CD2-CD2 3.64Å; L318-L483 HydrophobicContact CD1-CD2 4.45Å; L318-L490 HydrophobicContact CB-CD2 4.5Å
319Q90.2Very high92.9Very high83 Ų8352 Ų5239%0.38824%0.238SC..THydrogen-bonded Turntrans-61.4-27.4174-78.6172.133.900114.4G315 R317 L321 P431G315-Q319 WeakPolarHBondContact O-CG 3.33Å; G315-Q319 PolarHBondContact O-N 3.03Å; R317-Q319 VanDerWaalsContact C-N 3.26Å; R317-Q319 PolarHBondContact O-N 3.35Å; Q319-L321 VanDerWaalsContact C-N 3.31Å; Q319-P431 HydrophobicContact CG-CG 3.53Å
320R90.9Very high93.4Very high210 Ų21050.6 Ų50.679%0.79223%0.229SC*.THydrogen-bonded Turntrans-78.8-17.4179.4-65.7175.3-171177.6-0.1113R316 R317 L318R316-R320 WeakPolarHBondContact O-CG 3.4Å; R317-R320 WeakPolarHBondContact O-CB 3.32Å; R317-R320 PolarHBondContact O-N 2.93Å; L318-R320 PolarHBondContact O-N 3.35Å
321L94.1Very high93.9Very high26 Ų2653 Ų5314%0.13624%0.235CC..SBendtrans-64.7151.6174.8-58.7-173.6000110.2L318 Q319 E325 R326 I329 I486 L490L318-L321 HydrophobicContact CD1-CD1 3.98Å; L318-L321 WeakPolarHBondContact O-CB 3.35Å; L318-L321 PolarHBondContact O-N 3.19Å; Q319-L321 VanDerWaalsContact C-N 3.31Å; L321-E325 HydrophobicContact CB-CB 4.04Å; L321-E325 HydrophobicContact CD1-CB 4.39Å; L321-R326 HydrophobicContact CB-CG 4.29Å; L321-R326 HydrophobicContact CD1-CG 4.43Å; L321-R326 PolarHBondContact O-NH1 3.23Å; L321-R326 PolarHBondContact O-NH2 3.25Å; L321-I329 HydrophobicContact CD1-CD1 3.88Å; L321-I486 HydrophobicContact CD1-CG2 4.18Å; L321-I486 HydrophobicContact CD2-CG2 3.98Å; L321-L490 HydrophobicContact CD1-CD1 3.8Å; L321-L490 HydrophobicContact CD2-CD1 4.49Å
322S94.8Very high94.2Very high53 Ų5355.4 Ų55.437%0.37124%0.244SC..  trans-66.3159.5165.164.60000111H324 E325 R326S322-H324 PolarHBondContact O-N 3.39Å; S322-E325 WeakPolarHBondContact CB-OE2 3.14Å; S322-E325 PolarHBondContact N-OE2 3.22Å; S322-E325 PolarHBondContact O-N 2.91Å; S322-E325 WeakPolarHBondContact OG-CB 3.19Å; S322-E325 VanDerWaalsContact OG-CG 3.26Å; S322-E325 WeakPolarHBondContact OG-CG 3.49Å; S322-E325 PolarHBondContact OG-N 2.87Å; S322-E325 VanDerWaalsContact OG-N 3.15Å; S322-E325 PolarHBondContact OG-OE2 3.25Å; S322-R326 PolarHBondContact O-N 2.75Å; S322-R326 VanDerWaalsContact O-N 3.14Å
323N95.3Very high94.6Very high33 Ų3352.2 Ų52.218%0.17623%0.232CC..Hα-helixtrans-58.8-38173.6-72.6-10.5000111.4R326 A327 A406 E407 L410N323-R326 PolarHBondContact O-N 2.95Å; N323-R326 PolarHBondContact OD1-NH2 3.41Å; N323-A327 WeakPolarHBondContact O-CB 3.25Å; N323-A327 PolarHBondContact O-N 3.34Å; N323-A406 WeakPolarHBondContact CB-O 3.45Å; N323-E407 WeakPolarHBondContact CB-O 3.36Å; N323-E407 PolarHBondContact ND2-O 3.38Å; N323-L410 PolarHBondContact ND2-O 2.92Å; N323-L410 VanDerWaalsContact ND2-O 3.17Å; N323-L410 PolarHBondContact OD1-O 3.46Å
324H96.1Very high94.9Very high113 Ų11349 Ų4952%0.52322%0.216SC..Hα-helixtrans-65.4-40.1177.5-68.4-66.2000113S322 A327 S328 E407S322-H324 PolarHBondContact O-N 3.39Å; H324-A327 PolarHBondContact O-N 3.42Å; H324-S328 WeakPolarHBondContact O-CB 3.38Å; H324-S328 PolarHBondContact O-N 3.23Å; H324-E407 IonicContact CE1-OE1 3Å; H324-E407 IonicContact CE1-OE2 3.91Å; H324-E407 VanDerWaalsContact ND1-CD 3.29Å; H324-E407 IonicContact ND1-OE1 3.19Å; H324-E407 PolarHBondContact ND1-OE1 2.93Å; H324-E407 IonicContact ND1-OE2 3.91Å
325E96.1Very high95.3Very high74 Ų7453.5 Ų53.535%0.34624%0.237SC..Hα-helixtrans-63.6-44.3174.8-76.3165.112400111.2L321 S322 S328 I329L321-E325 HydrophobicContact CB-CB 4.04Å; L321-E325 HydrophobicContact CD1-CB 4.39Å; S322-E325 WeakPolarHBondContact CB-OE2 3.14Å; S322-E325 PolarHBondContact N-OE2 3.22Å; S322-E325 PolarHBondContact O-N 2.91Å; S322-E325 WeakPolarHBondContact OG-CB 3.19Å; S322-E325 VanDerWaalsContact OG-CG 3.26Å; S322-E325 WeakPolarHBondContact OG-CG 3.49Å; S322-E325 PolarHBondContact OG-N 2.87Å; S322-E325 VanDerWaalsContact OG-N 3.15Å; S322-E325 PolarHBondContact OG-OE2 3.25Å; E325-S328 PolarHBondContact O-N 3.41Å; E325-S328 PolarHBondContact O-OG 3.17Å; E325-I329 PolarHBondContact O-N 2.93Å; E325-I329 VanDerWaalsContact O-N 3.14Å
326R95.5Very high95.6Very high6 Ų653.3 Ų53.32%0.02324%0.235CC..Hα-helixtrans-59.2-48172.6-79.2-173.2-72.8-76.7-6.3111.9L318 L321 S322 N323 S328 I329 L330 L454L318-R326 HydrophobicContact CD1-CG 4.27Å; L318-R326 PolarHBondContact O-NH1 2.78Å; L321-R326 HydrophobicContact CB-CG 4.29Å; L321-R326 HydrophobicContact CD1-CG 4.43Å; L321-R326 PolarHBondContact O-NH1 3.23Å; L321-R326 PolarHBondContact O-NH2 3.25Å; S322-R326 PolarHBondContact O-N 2.75Å; S322-R326 VanDerWaalsContact O-N 3.14Å; N323-R326 PolarHBondContact O-N 2.95Å; N323-R326 PolarHBondContact OD1-NH2 3.41Å; R326-S328 PolarHBondContact O-N 3.15Å; R326-I329 WeakPolarHBondContact O-CB 3.43Å; R326-I329 PolarHBondContact O-N 3.27Å; R326-I329 VanDerWaalsContact O-N 3.14Å; R326-L330 VanDerWaalsContact O-CD1 3.3Å; R326-L330 WeakPolarHBondContact O-CD1 3.47Å; R326-L330 PolarHBondContact O-N 3.19Å; R326-L454 WeakPolarHBondContact CD-O 3.29Å
327A96.5Very high95.9Very high0 Ų046.7 Ų46.70%021%0.21CC..Hα-helixtrans-58.8-37.1176.900000112.2N323 H324 L330 R331 A403 A406 E407N323-A327 WeakPolarHBondContact O-CB 3.25Å; N323-A327 PolarHBondContact O-N 3.34Å; H324-A327 PolarHBondContact O-N 3.42Å; A327-L330 PolarHBondContact O-N 3.41Å; A327-R331 WeakPolarHBondContact O-CG 3.4Å; A327-R331 PolarHBondContact O-N 3.3Å; A327-A403 VanDerWaalsContact CB-O 3.24Å; A327-A403 WeakPolarHBondContact CB-O 3.09Å; A327-A406 HydrophobicContact CB-CB 4.39Å; A327-E407 HydrophobicContact CB-CG 3.76Å
328S97.4Very high96.2Very high33 Ų3348.1 Ų48.123%0.23122%0.219CC..Hα-helixtrans-65.6-35.6176.9790000113.1H324 E325 R326 L330 R331 R332 I486H324-S328 WeakPolarHBondContact O-CB 3.38Å; H324-S328 PolarHBondContact O-N 3.23Å; E325-S328 PolarHBondContact O-N 3.41Å; E325-S328 PolarHBondContact O-OG 3.17Å; R326-S328 PolarHBondContact O-N 3.15Å; S328-L330 VanDerWaalsContact C-N 3.33Å; S328-L330 PolarHBondContact O-N 3.39Å; S328-R331 PolarHBondContact O-N 3.27Å; S328-R332 WeakPolarHBondContact O-CB 3.42Å; S328-R332 PolarHBondContact O-N 3.33Å; S328-I486 WeakPolarHBondContact OG-CD1 3.27Å
329I97.3Very high96.3Very high2 Ų252.5 Ų52.51%0.0124%0.239CC..Hα-helixtrans-59.8-46.2172.9-67.5160.5000109.9L318 L321 E325 R326 R332 L333 L454 A482 L483 I486L318-I329 HydrophobicContact CD1-CD1 4.43Å; L321-I329 HydrophobicContact CD1-CD1 3.88Å; E325-I329 PolarHBondContact O-N 2.93Å; E325-I329 VanDerWaalsContact O-N 3.14Å; R326-I329 WeakPolarHBondContact O-CB 3.43Å; R326-I329 PolarHBondContact O-N 3.27Å; R326-I329 VanDerWaalsContact O-N 3.14Å; I329-R332 PolarHBondContact O-N 2.62Å; I329-L333 PolarHBondContact O-N 3.37Å; I329-L454 HydrophobicContact CG2-CD1 4.14Å; I329-A482 HydrophobicContact CG2-CB 4.18Å; I329-L483 HydrophobicContact CD1-CD2 4.06Å; I329-L483 HydrophobicContact CG2-CD2 4.07Å; I329-L483 HydrophobicContact CG2-CG 4.23Å; I329-I486 HydrophobicContact CD1-CB 4.43Å; I329-I486 HydrophobicContact CD1-CG1 3.88Å; I329-I486 HydrophobicContact CG1-CB 4.44Å; I329-I486 HydrophobicContact CG1-CG1 3.52Å
330L97.2Very high96.7Very high1 Ų152 Ų521%0.00523%0.234CC..Hα-helixtrans-66.5-40.7179.6-84.466.4000112.1R326 A327 S328 R332 L333 A334 I399 I402 A403 L454 A455R326-L330 VanDerWaalsContact O-CD1 3.3Å; R326-L330 WeakPolarHBondContact O-CD1 3.47Å; R326-L330 PolarHBondContact O-N 3.19Å; A327-L330 PolarHBondContact O-N 3.41Å; S328-L330 VanDerWaalsContact C-N 3.33Å; S328-L330 PolarHBondContact O-N 3.39Å; L330-R332 VanDerWaalsContact C-N 3.32Å; L330-R332 PolarHBondContact O-N 2.89Å; L330-L333 WeakPolarHBondContact O-CB 3.28Å; L330-L333 PolarHBondContact O-N 2.79Å; L330-A334 PolarHBondContact O-N 2.95Å; L330-I399 HydrophobicContact CB-CG2 4.07Å; L330-I399 HydrophobicContact CG-CG2 4.44Å; L330-I399 VanDerWaalsContact O-CG2 3.25Å; L330-I399 WeakPolarHBondContact O-CG2 3.27Å; L330-I402 HydrophobicContact CD2-CB 3.95Å; L330-I402 HydrophobicContact CD2-CG2 3.42Å; L330-I402 VanDerWaalsContact CD2-CG2 3.42Å; L330-A403 HydrophobicContact CB-CB 3.7Å; L330-A403 HydrophobicContact CD2-CB 4.27Å; L330-L454 HydrophobicContact CD1-CB 3.97Å; L330-A455 HydrophobicContact CD2-CB 3.85Å
331R97.9Very high97.1Very high94 Ų9444.5 Ų44.536%0.35521%0.208SC..Hα-helixtrans-59.9-44.2173.6-69.7175.6-172.2119.50.2111A327 S328 L333 A334 E335 A403 E407A327-R331 WeakPolarHBondContact O-CG 3.4Å; A327-R331 PolarHBondContact O-N 3.3Å; S328-R331 PolarHBondContact O-N 3.27Å; R331-L333 VanDerWaalsContact C-N 3.33Å; R331-L333 PolarHBondContact O-N 3Å; R331-A334 WeakPolarHBondContact O-CB 3.21Å; R331-A334 PolarHBondContact O-N 3.11Å; R331-E335 WeakPolarHBondContact O-CG 3.23Å; R331-E335 PolarHBondContact O-N 2.88Å; R331-A403 HydrophobicContact CG-CB 3.96Å; R331-E407 IonicContact CZ-OE1 3.72Å; R331-E407 IonicContact NH1-OE1 3.6Å; R331-E407 PolarHBondContact NH1-OE1 3.49Å; R331-E407 VanDerWaalsContact NH1-OE1 3.14Å; R331-E407 IonicContact NH2-OE1 3.76Å; R331-E407 PolarHBondContact NH2-OE1 3.45Å
332R98.2Very high97.2Very high51 Ų5146.8 Ų46.819%0.19223%0.23CC..Hα-helixtrans-61.8-41175.9-17760-175.4158.87.1111.7S328 I329 L330 A334 E335 L336 E339 E481 A482 H485S328-R332 WeakPolarHBondContact O-CB 3.42Å; S328-R332 PolarHBondContact O-N 3.33Å; I329-R332 PolarHBondContact O-N 2.62Å; L330-R332 VanDerWaalsContact C-N 3.32Å; L330-R332 PolarHBondContact O-N 2.89Å; R332-A334 VanDerWaalsContact C-N 3.35Å; R332-A334 PolarHBondContact O-N 2.87Å; R332-E335 IonicContact NH1-OE2 3.1Å; R332-E335 PolarHBondContact NH1-OE2 3.28Å; R332-E335 WeakPolarHBondContact O-CB 3.47Å; R332-E335 PolarHBondContact O-N 3.16Å; R332-L336 HydrophobicContact CG-CD1 4.29Å; R332-L336 HydrophobicContact CG-CG 4.47Å; R332-L336 WeakPolarHBondContact O-CG 3.42Å; R332-L336 PolarHBondContact O-N 3.01Å; R332-E339 IonicContact CZ-OE1 2.66Å; R332-E339 IonicContact NH1-OE1 3.44Å; R332-E339 PolarHBondContact NH1-OE1 3.45Å; R332-E339 VanDerWaalsContact NH1-OE1 3.14Å; R332-E339 IonicContact NH2-OE1 3.82Å; R332-E339 IonicContact NH2-OE2 3.16Å; R332-E481 IonicContact NH2-OE1 2.69Å; R332-A482 HydrophobicContact CB-CB 4.36Å; R332-A482 HydrophobicContact CG-CB 4.25Å; R332-H485 HydrophobicContact CG-CB 4.29Å
333L98.1Very high97.4Very high3 Ų347.9 Ų47.92%0.01623%0.23CC..Hα-helixtrans-61.2-43.2174.2179.558.1000111.7I329 L330 R331 E335 L336 L337 I399 S451 L478 V479 A482I329-L333 PolarHBondContact O-N 3.37Å; L330-L333 WeakPolarHBondContact O-CB 3.28Å; L330-L333 PolarHBondContact O-N 2.79Å; R331-L333 VanDerWaalsContact C-N 3.33Å; R331-L333 PolarHBondContact O-N 3Å; L333-E335 VanDerWaalsContact C-N 3.29Å; L333-E335 PolarHBondContact O-N 3.04Å; L333-L336 PolarHBondContact O-N 3.35Å; L333-L337 HydrophobicContact CD1-CG 4.39Å; L333-L337 HydrophobicContact CG-CD1 4.49Å; L333-L337 WeakPolarHBondContact O-CG 3.32Å; L333-L337 PolarHBondContact O-N 3.32Å; L333-I399 HydrophobicContact CD2-CD1 4.25Å; L333-I399 HydrophobicContact CG-CD1 4.36Å; L333-S451 WeakPolarHBondContact CD2-OG 3.26Å; L333-L478 HydrophobicContact CD1-CB 4.19Å; L333-V479 HydrophobicContact CD1-CG2 4.03Å; L333-V479 HydrophobicContact CD2-CG2 3.98Å; L333-A482 HydrophobicContact CB-CB 3.89Å
334A97.6Very high97.5Very high2 Ų246.4 Ų46.42%0.01722%0.222CC..Hα-helixtrans-63.9-32.9176.600000113L330 R331 R332 R396 I399 Q400L330-A334 PolarHBondContact O-N 2.95Å; R331-A334 WeakPolarHBondContact O-CB 3.21Å; R331-A334 PolarHBondContact O-N 3.11Å; R332-A334 VanDerWaalsContact C-N 3.35Å; R332-A334 PolarHBondContact O-N 2.87Å; A334-R396 WeakPolarHBondContact O-CG 3.48Å; A334-R396 PolarHBondContact O-NE 2.77Å; A334-I399 HydrophobicContact CB-CB 4.36Å; A334-I399 HydrophobicContact CB-CG2 4.02Å; A334-Q400 HydrophobicContact CB-CG 4.02Å
335E98.3Very high97.6Very high97 Ų9743 Ų4345%0.45321%0.207SC..Hα-helixtrans-68.7-47.6171-70.3171179.800111.6R331 R332 L333 L337 K338 E339R331-E335 WeakPolarHBondContact O-CG 3.23Å; R331-E335 PolarHBondContact O-N 2.88Å; R332-E335 IonicContact NH1-OE2 3.1Å; R332-E335 PolarHBondContact NH1-OE2 3.28Å; R332-E335 WeakPolarHBondContact O-CB 3.47Å; R332-E335 PolarHBondContact O-N 3.16Å; L333-E335 VanDerWaalsContact C-N 3.29Å; L333-E335 PolarHBondContact O-N 3.04Å; E335-L337 VanDerWaalsContact C-N 3.3Å; E335-L337 PolarHBondContact O-N 3.31Å; E335-K338 WeakPolarHBondContact O-CA 3.47Å; E335-K338 VanDerWaalsContact O-CB 3.26Å; E335-K338 WeakPolarHBondContact O-CB 3.43Å; E335-K338 PolarHBondContact O-N 2.84Å; E335-E339 WeakPolarHBondContact O-CG 3.45Å; E335-E339 PolarHBondContact O-N 2.83Å
336L98.5Very high97.7Very high0 Ų042.7 Ų42.70%021%0.213CC..Hα-helixtrans-59.3-40.3178.8-73.5173.8000112.3R332 L333 K338 E339 R340 L478 E481 A482R332-L336 HydrophobicContact CG-CD1 4.29Å; R332-L336 HydrophobicContact CG-CG 4.47Å; R332-L336 WeakPolarHBondContact O-CG 3.42Å; R332-L336 PolarHBondContact O-N 3.01Å; L333-L336 PolarHBondContact O-N 3.35Å; L336-K338 PolarHBondContact O-N 3.22Å; L336-E339 PolarHBondContact O-N 2.84Å; L336-R340 WeakPolarHBondContact O-CB 3.24Å; L336-R340 PolarHBondContact O-N 3.16Å; L336-L478 WeakPolarHBondContact CD1-O 3.14Å; L336-E481 HydrophobicContact CD1-CB 3.97Å; L336-E481 HydrophobicContact CD1-CG 4Å; L336-E481 VanDerWaalsContact CD2-OE1 3.31Å; L336-E481 WeakPolarHBondContact CD2-OE1 3.39Å; L336-A482 HydrophobicContact CD1-CB 4.07Å
337L97.8Very high97.8Very high1 Ų144.9 Ų44.91%0.00522%0.224CC..Hα-helixtrans-61.6-26.6174.4-71.3173.7000113L333 E335 I344 L395 R396 I399 P447 L475 L478L333-L337 HydrophobicContact CD1-CG 4.39Å; L333-L337 HydrophobicContact CG-CD1 4.49Å; L333-L337 WeakPolarHBondContact O-CG 3.32Å; L333-L337 PolarHBondContact O-N 3.32Å; E335-L337 VanDerWaalsContact C-N 3.3Å; E335-L337 PolarHBondContact O-N 3.31Å; L337-I344 HydrophobicContact CD2-CD1 3.66Å; L337-L395 HydrophobicContact CD1-CD2 3.61Å; L337-L395 HydrophobicContact CD1-CG 3.87Å; L337-L395 HydrophobicContact CD2-CD2 4.22Å; L337-R396 HydrophobicContact CB-CG 3.73Å; L337-R396 HydrophobicContact CD1-CG 4.1Å; L337-I399 HydrophobicContact CD1-CD1 3.5Å; L337-P447 HydrophobicContact CD1-CB 4.39Å; L337-L475 HydrophobicContact CD2-CD2 3.95Å; L337-L478 HydrophobicContact CD2-CD1 4.18Å
338K97.6Very high97.8Very high129 Ų12945.1 Ų45.156%0.56123%0.225SC*.Hα-helixtrans-81.3-48173.1-173.4-177.1-177.4-174.90111.4E335 L336 R340 E341 R396E335-K338 WeakPolarHBondContact O-CA 3.47Å; E335-K338 VanDerWaalsContact O-CB 3.26Å; E335-K338 WeakPolarHBondContact O-CB 3.43Å; E335-K338 PolarHBondContact O-N 2.84Å; L336-K338 PolarHBondContact O-N 3.22Å; K338-R340 VanDerWaalsContact C-N 3.26Å; K338-R340 PolarHBondContact O-N 2.98Å; K338-E341 PolarHBondContact O-N 3.37Å; K338-R396 VanDerWaalsContact CG-NH1 3.34Å
339E98Very high97.7Very high91 Ų9149 Ų4943%0.42524%0.239SC..Hα-helixtrans-65.1-31.3-176.3-69.6176.9-162.400112.3R332 E335 L336R332-E339 IonicContact CZ-OE1 2.66Å; R332-E339 IonicContact NH1-OE1 3.44Å; R332-E339 PolarHBondContact NH1-OE1 3.45Å; R332-E339 VanDerWaalsContact NH1-OE1 3.14Å; R332-E339 IonicContact NH2-OE1 3.82Å; R332-E339 IonicContact NH2-OE2 3.16Å; E335-E339 WeakPolarHBondContact O-CG 3.45Å; E335-E339 PolarHBondContact O-N 2.83Å; L336-E339 PolarHBondContact O-N 2.84Å
340R97.9Very high97.5Very high72 Ų7253.5 Ų53.527%0.27226%0.261SS..THydrogen-bonded Turntrans-109.422.6-177.5-57.4-65.4-175.3-82.4-14.5113.2L336 K338 A342 E343 I344 Y474 L478L336-R340 WeakPolarHBondContact O-CB 3.24Å; L336-R340 PolarHBondContact O-N 3.16Å; K338-R340 VanDerWaalsContact C-N 3.26Å; K338-R340 PolarHBondContact O-N 2.98Å; R340-A342 VanDerWaalsContact C-N 3.28Å; R340-A342 PolarHBondContact O-N 3.21Å; R340-E343 VanDerWaalsContact C-OE2 3.27Å; R340-E343 VanDerWaalsContact CA-OE2 3.24Å; R340-E343 WeakPolarHBondContact CA-OE2 3.47Å; R340-E343 PolarHBondContact O-N 3.12Å; R340-I344 WeakPolarHBondContact O-CD1 3.5Å; R340-I344 VanDerWaalsContact O-CG1 3.24Å; R340-I344 WeakPolarHBondContact O-CG1 3.16Å; R340-I344 PolarHBondContact O-N 2.93Å; R340-Y474 HydrophobicContact CB-CE1 4.21Å; R340-L478 HydrophobicContact CB-CD1 4.31Å; R340-L478 HydrophobicContact CB-CD2 4.32Å; R340-L478 HydrophobicContact CG-CD2 3.96Å
341E98Very high97.2Very high54 Ų5453.5 Ų53.525%0.25226%0.261SS..Hα-helixtrans-56.7-43.3-176.6-177.9176.314200111.7K338 E343 I344 L345 L392K338-E341 PolarHBondContact O-N 3.37Å; E341-E343 PolarHBondContact O-N 3.49Å; E341-I344 PolarHBondContact O-N 3.48Å; E341-L345 HydrophobicContact CG-CD1 3.96Å; E341-L345 HydrophobicContact CG-CG 4.48Å; E341-L345 WeakPolarHBondContact O-CB 3.29Å; E341-L345 VanDerWaalsContact O-CG 3.25Å; E341-L345 WeakPolarHBondContact O-CG 3.47Å; E341-L345 PolarHBondContact O-N 3.29Å; E341-L392 HydrophobicContact CG-CD1 3.8Å
342A97.7Very high96.8Very high73 Ų7349.6 Ų49.660%0.60325%0.248SC*.Hα-helixtrans-63.4-42.8-178.600000111.9R340 L345 S346R340-A342 VanDerWaalsContact C-N 3.28Å; R340-A342 PolarHBondContact O-N 3.21Å; A342-L345 PolarHBondContact O-N 3.34Å; A342-S346 WeakPolarHBondContact O-CB 3.31Å; A342-S346 PolarHBondContact O-N 3.43Å
343E98.2Very high96.3Very high77 Ų7751.8 Ų51.836%0.3626%0.26SS..Hα-helixtrans-68.7-44.5178.9-61.792.1145.100111.4R340 E341 L345 S346 E347 Y474R340-E343 VanDerWaalsContact C-OE2 3.27Å; R340-E343 VanDerWaalsContact CA-OE2 3.24Å; R340-E343 WeakPolarHBondContact CA-OE2 3.47Å; R340-E343 PolarHBondContact O-N 3.12Å; E341-E343 PolarHBondContact O-N 3.49Å; E343-L345 VanDerWaalsContact C-N 3.29Å; E343-L345 PolarHBondContact O-N 3.26Å; E343-S346 WeakPolarHBondContact O-CB 3.16Å; E343-S346 PolarHBondContact O-N 3.47Å; E343-S346 VanDerWaalsContact O-N 3.12Å; E343-E347 WeakPolarHBondContact O-CG 3.48Å; E343-E347 PolarHBondContact O-N 3.43Å; E343-Y474 HydrophobicContact CB-CE1 3.71Å; E343-Y474 HydrophobicContact CB-CE2 4.26Å; E343-Y474 VanDerWaalsContact CB-CZ 3.45Å; E343-Y474 WeakPolarHBondContact CB-OH 3.13Å
344I98.1Very high95.6Very high2 Ų254.9 Ų54.91%0.0128%0.275CS..Hα-helixtrans-56.8-45.9175.3-65.5161.2000110.7L337 R340 E341 S346 N348 L387 L392 Y474 L475 L478L337-I344 HydrophobicContact CD2-CD1 3.66Å; R340-I344 WeakPolarHBondContact O-CD1 3.5Å; R340-I344 VanDerWaalsContact O-CG1 3.24Å; R340-I344 WeakPolarHBondContact O-CG1 3.16Å; R340-I344 PolarHBondContact O-N 2.93Å; E341-I344 PolarHBondContact O-N 3.48Å; I344-S346 VanDerWaalsContact C-N 3.34Å; I344-N348 VanDerWaalsContact O-CB 3.32Å; I344-N348 WeakPolarHBondContact O-CB 3.43Å; I344-N348 PolarHBondContact O-N 3.49Å; I344-L387 HydrophobicContact CG2-CD1 3.65Å; I344-L392 HydrophobicContact CB-CD1 4.46Å; I344-L392 HydrophobicContact CG2-CD1 4.13Å; I344-L392 HydrophobicContact CG2-CD2 4.09Å; I344-Y474 HydrophobicContact CG1-CD1 3.8Å; I344-Y474 HydrophobicContact CG1-CE1 3.81Å; I344-L475 HydrophobicContact CD1-CD2 4.35Å; I344-L475 HydrophobicContact CG1-CD2 4.29Å; I344-L475 HydrophobicContact CG2-CD2 4.1Å; I344-L478 HydrophobicContact CD1-CD1 3.69Å; I344-L478 HydrophobicContact CG1-CD1 3.91Å
345L97.8Very high94.9Very high42 Ų4255 Ų5522%0.2228%0.275CS..Hα-helixtrans-68.7-33.4179.3-67.3174.8000112E341 A342 E343 H349 L387 P389 L392E341-L345 HydrophobicContact CG-CD1 3.96Å; E341-L345 HydrophobicContact CG-CG 4.48Å; E341-L345 WeakPolarHBondContact O-CB 3.29Å; E341-L345 VanDerWaalsContact O-CG 3.25Å; E341-L345 WeakPolarHBondContact O-CG 3.47Å; E341-L345 PolarHBondContact O-N 3.29Å; A342-L345 PolarHBondContact O-N 3.34Å; E343-L345 VanDerWaalsContact C-N 3.29Å; E343-L345 PolarHBondContact O-N 3.26Å; L345-H349 VanDerWaalsContact O-CB 3.27Å; L345-H349 WeakPolarHBondContact O-CB 3.47Å; L345-H349 PolarHBondContact O-N 2.91Å; L345-L387 HydrophobicContact CD2-CB 4.17Å; L345-P389 HydrophobicContact CD1-CG 3.94Å; L345-L392 HydrophobicContact CD2-CD1 3.9Å; L345-L392 HydrophobicContact CG-CD1 4Å
346S97.9Very high94Very high66 Ų6655.9 Ų55.946%0.46228%0.281SS..Hα-helixtrans-64.7-50.5174.6-173.80000111.7A342 E343 I344 N348 H349 M350A342-S346 WeakPolarHBondContact O-CB 3.31Å; A342-S346 PolarHBondContact O-N 3.43Å; E343-S346 WeakPolarHBondContact O-CB 3.16Å; E343-S346 PolarHBondContact O-N 3.47Å; E343-S346 VanDerWaalsContact O-N 3.12Å; I344-S346 VanDerWaalsContact C-N 3.34Å; S346-N348 VanDerWaalsContact C-N 3.31Å; S346-N348 PolarHBondContact O-N 2.83Å; S346-H349 WeakPolarHBondContact O-CB 3.45Å; S346-H349 PolarHBondContact O-N 2.58Å; S346-M350 PolarHBondContact O-N 2.91Å; S346-M350 VanDerWaalsContact O-N 3.12Å
347E97.1Very high93Very high53 Ų5361.9 Ų61.925%0.24831%0.313CS..Hα-helixtrans-62.6-40.2178.3-63.6-62.6164.300111.4E343 M350 D351 N470 Y474E343-E347 WeakPolarHBondContact O-CG 3.48Å; E343-E347 PolarHBondContact O-N 3.43Å; E347-M350 PolarHBondContact O-N 3.36Å; E347-D351 PolarHBondContact O-N 2.86Å; E347-N470 HydrophobicContact CB-CB 4.27Å; E347-N470 WeakPolarHBondContact OE2-CB 3.45Å; E347-Y474 HydrophobicContact CG-CD2 4.06Å; E347-Y474 HydrophobicContact CG-CG 3.91Å
348N97.2Very high91.5Very high4 Ų463.9 Ų63.92%0.02133%0.325CS..Hα-helixtrans-68.4-34.8175.4-174.5-107.7000113.3I344 S346 M350 D351 V352 M385 K386 L387 S471I344-N348 VanDerWaalsContact O-CB 3.32Å; I344-N348 WeakPolarHBondContact O-CB 3.43Å; I344-N348 PolarHBondContact O-N 3.49Å; S346-N348 VanDerWaalsContact C-N 3.31Å; S346-N348 PolarHBondContact O-N 2.83Å; N348-M350 VanDerWaalsContact C-N 3.31Å; N348-M350 PolarHBondContact O-N 3.07Å; N348-D351 PolarHBondContact O-N 2.76Å; N348-V352 WeakPolarHBondContact O-CB 3.37Å; N348-V352 VanDerWaalsContact O-CG2 3.27Å; N348-V352 WeakPolarHBondContact O-CG2 3.08Å; N348-V352 PolarHBondContact O-N 2.92Å; N348-M385 PolarHBondContact ND2-O 3.31Å; N348-K386 WeakPolarHBondContact OD1-CA 3.44Å; N348-L387 HydrophobicContact CB-CB 4.2Å; N348-L387 HydrophobicContact CB-CD1 4.09Å; N348-L387 HydrophobicContact CB-CG 4.26Å; N348-L387 PolarHBondContact OD1-N 2.84Å; N348-S471 VanDerWaalsContact CA-OG 3.24Å; N348-S471 WeakPolarHBondContact CA-OG 3.27Å; N348-S471 WeakPolarHBondContact CB-OG 3.39Å; N348-S471 PolarHBondContact ND2-OG 3.42Å
349H95.2Very high89.7Confident114 Ų11461.2 Ų61.253%0.52834%0.335SS..Hα-helixtrans-61.2-42.4174.2-179.1-78.9000111L345 S346 V352 E353L345-H349 VanDerWaalsContact O-CB 3.27Å; L345-H349 WeakPolarHBondContact O-CB 3.47Å; L345-H349 PolarHBondContact O-N 2.91Å; S346-H349 WeakPolarHBondContact O-CB 3.45Å; S346-H349 PolarHBondContact O-N 2.58Å; H349-V352 PolarHBondContact O-N 3.43Å; H349-E353 IonicContact CE1-OE2 3.68Å; H349-E353 PolarHBondContact CE1-OE2 3.42Å; H349-E353 VanDerWaalsContact CE1-OE2 3.31Å; H349-E353 IonicContact ND1-OE2 2.78Å; H349-E353 WeakPolarHBondContact O-CB 3.31Å; H349-E353 PolarHBondContact O-N 3.35Å
350M92.5Very high88Confident97 Ų9763.7 Ų63.748%0.47834%0.34SS..Hα-helixtrans-60.8-45.2176.4-67.8177.662.600111.9S346 E347 N348 V352 E353 E354S346-M350 PolarHBondContact O-N 2.91Å; S346-M350 VanDerWaalsContact O-N 3.12Å; E347-M350 PolarHBondContact O-N 3.36Å; N348-M350 VanDerWaalsContact C-N 3.31Å; N348-M350 PolarHBondContact O-N 3.07Å; M350-V352 PolarHBondContact O-N 3.32Å; M350-E353 PolarHBondContact O-N 2.74Å; M350-E354 WeakPolarHBondContact O-CB 3.5Å; M350-E354 PolarHBondContact O-N 3.06Å
351D92.2Very high86.4Confident1 Ų160.7 Ų60.71%0.00533%0.329CS..Hα-helixtrans-60.3-44.8174.4-74.1-29.6000111.9E347 N348 E354 A355 M385 E467 A468 H469 N470 S471E347-D351 PolarHBondContact O-N 2.86Å; N348-D351 PolarHBondContact O-N 2.76Å; D351-E354 PolarHBondContact O-N 3.39Å; D351-A355 VanDerWaalsContact O-CB 3.25Å; D351-A355 WeakPolarHBondContact O-CB 3.43Å; D351-A355 PolarHBondContact O-N 3.34Å; D351-M385 HydrophobicContact CB-CE 4.17Å; D351-M385 WeakPolarHBondContact O-CE 3.21Å; D351-E467 WeakPolarHBondContact CB-O 3.26Å; D351-A468 WeakPolarHBondContact OD2-CA 3.25Å; D351-H469 PolarHBondContact OD1-N 3.19Å; D351-N470 WeakPolarHBondContact OD1-CB 3.46Å; D351-N470 PolarHBondContact OD1-N 2.62Å; D351-N470 PolarHBondContact OD1-ND2 3.09Å; D351-N470 PolarHBondContact OD2-N 3.26Å; D351-S471 WeakPolarHBondContact OD2-CB 3.43Å; D351-S471 PolarHBondContact OD2-N 3.2Å; D351-S471 PolarHBondContact OD2-OG 2.97Å
352V89.7Confident84.8Confident13 Ų1362 Ų628%0.07934%0.338CS..Hα-helixtrans-64.9-44.9179.6170.20000111.6N348 H349 M350 A355 M356 I382 M385 K386N348-V352 WeakPolarHBondContact O-CB 3.37Å; N348-V352 VanDerWaalsContact O-CG2 3.27Å; N348-V352 WeakPolarHBondContact O-CG2 3.08Å; N348-V352 PolarHBondContact O-N 2.92Å; H349-V352 PolarHBondContact O-N 3.43Å; M350-V352 PolarHBondContact O-N 3.32Å; V352-A355 PolarHBondContact O-N 2.88Å; V352-M356 HydrophobicContact CG1-CE 3.98Å; V352-M356 HydrophobicContact CG1-SD 4.45Å; V352-M356 WeakPolarHBondContact O-CB 3.48Å; V352-M356 WeakPolarHBondContact O-CG 3.47Å; V352-M356 PolarHBondContact O-N 2.92Å; V352-I382 HydrophobicContact CG1-CG2 3.97Å; V352-M385 HydrophobicContact CB-CE 4.1Å; V352-M385 HydrophobicContact CG2-CE 3.6Å; V352-K386 HydrophobicContact CG2-CB 4.17Å; V352-K386 HydrophobicContact CG2-CG 4.49Å
353E87.8Confident83.2Confident96 Ų9660 Ų6045%0.44932%0.319SS..Hα-helixtrans-64.6-44.4177.7-175.7175.5-17700111H349 M350 A355 M356 N357H349-E353 IonicContact CE1-OE2 3.68Å; H349-E353 PolarHBondContact CE1-OE2 3.42Å; H349-E353 VanDerWaalsContact CE1-OE2 3.31Å; H349-E353 IonicContact ND1-OE2 2.78Å; H349-E353 WeakPolarHBondContact O-CB 3.31Å; H349-E353 PolarHBondContact O-N 3.35Å; M350-E353 PolarHBondContact O-N 2.74Å; E353-A355 PolarHBondContact O-N 3.4Å; E353-M356 PolarHBondContact O-N 3.47Å; E353-N357 WeakPolarHBondContact CG-ND2 3.31Å; E353-N357 WeakPolarHBondContact O-CB 3.43Å; E353-N357 VanDerWaalsContact O-CG 3.25Å; E353-N357 PolarHBondContact O-N 2.98Å; E353-N357 PolarHBondContact O-ND2 2.97Å; E353-N357 VanDerWaalsContact O-ND2 3.16Å
354E83.5Confident81.6Confident69 Ų6964.4 Ų64.432%0.32234%0.339SS..Hα-helixtrans-61.5-43.7174.4-172177.4-177.600111.2M350 D351 M356 N357 T358 R360M350-E354 WeakPolarHBondContact O-CB 3.5Å; M350-E354 PolarHBondContact O-N 3.06Å; D351-E354 PolarHBondContact O-N 3.39Å; E354-M356 VanDerWaalsContact C-N 3.32Å; E354-M356 PolarHBondContact O-N 3.49Å; E354-N357 PolarHBondContact O-N 2.65Å; E354-T358 HydrophobicContact CG-CG2 3.9Å; E354-T358 WeakPolarHBondContact O-CA 3.46Å; E354-T358 VanDerWaalsContact O-CB 3.23Å; E354-T358 WeakPolarHBondContact O-CB 3.18Å; E354-T358 VanDerWaalsContact O-CG2 3.31Å; E354-T358 WeakPolarHBondContact O-CG2 3.44Å; E354-T358 PolarHBondContact O-N 3.32Å; E354-T358 PolarHBondContact O-OG1 3.23Å; E354-R360 IonicContact OE1-CZ 2.89Å; E354-R360 IonicContact OE1-NE 2.65Å; E354-R360 IonicContact OE1-NH1 3.94Å; E354-R360 PolarHBondContact OE1-NH1 3.47Å; E354-R360 IonicContact OE1-NH2 2.62Å; E354-R360 PolarHBondContact OE1-NH2 2.9Å; E354-R360 IonicContact OE2-NH1 2.9Å
355A82.4Confident79.9Confident3 Ų365 Ų653%0.02534%0.344CS..Hα-helixtrans-69.7-25.2178.500000113.9D351 V352 E353 L361 I382 M385D351-A355 VanDerWaalsContact O-CB 3.25Å; D351-A355 WeakPolarHBondContact O-CB 3.43Å; D351-A355 PolarHBondContact O-N 3.34Å; V352-A355 PolarHBondContact O-N 2.88Å; E353-A355 PolarHBondContact O-N 3.4Å; A355-L361 HydrophobicContact CB-CD1 4.46Å; A355-L361 HydrophobicContact CB-CD2 4.24Å; A355-L361 HydrophobicContact CB-CG 4.18Å; A355-I382 HydrophobicContact CB-CD1 3.61Å; A355-M385 HydrophobicContact CB-CE 3.63Å; A355-M385 HydrophobicContact CB-SD 4.45Å
356M79Confident78.2Confident116 Ų11663.7 Ų63.757%0.57134%0.336SS*.Hα-helixtrans-75.6-42.2170.9-76.1-172178.400111.6V352 E353 E354 I382V352-M356 HydrophobicContact CG1-CE 3.98Å; V352-M356 HydrophobicContact CG1-SD 4.45Å; V352-M356 WeakPolarHBondContact O-CB 3.48Å; V352-M356 WeakPolarHBondContact O-CG 3.47Å; V352-M356 PolarHBondContact O-N 2.92Å; E353-M356 PolarHBondContact O-N 3.47Å; E354-M356 VanDerWaalsContact C-N 3.32Å; E354-M356 PolarHBondContact O-N 3.49Å; M356-I382 HydrophobicContact CE-CG2 3.76Å; M356-I382 HydrophobicContact CG-CD1 4.12Å; M356-I382 HydrophobicContact CG-CG1 4.38Å
357N78.2Confident76.3Confident126 Ų12664.4 Ų64.467%0.67434%0.34SS*.Hα-helixtrans-79.7-28.3-176.7-69.7-30000113E353 E354E353-N357 WeakPolarHBondContact CG-ND2 3.31Å; E353-N357 WeakPolarHBondContact O-CB 3.43Å; E353-N357 VanDerWaalsContact O-CG 3.25Å; E353-N357 PolarHBondContact O-N 2.98Å; E353-N357 PolarHBondContact O-ND2 2.97Å; E353-N357 VanDerWaalsContact O-ND2 3.16Å; E354-N357 PolarHBondContact O-N 2.65Å
358T66.2Low74.4Confident44 Ų4464.7 Ų64.727%0.2734%0.34SS..SBendtrans-104.6150.3178.869.60000111.1E354 R360E354-T358 HydrophobicContact CG-CG2 3.9Å; E354-T358 WeakPolarHBondContact O-CA 3.46Å; E354-T358 VanDerWaalsContact O-CB 3.23Å; E354-T358 WeakPolarHBondContact O-CB 3.18Å; E354-T358 VanDerWaalsContact O-CG2 3.31Å; E354-T358 WeakPolarHBondContact O-CG2 3.44Å; E354-T358 PolarHBondContact O-N 3.32Å; E354-T358 PolarHBondContact O-OG1 3.23Å; T358-R360 PolarHBondContact O-N 2.95Å; T358-R360 WeakPolarHBondContact OG1-CB 3.36Å; T358-R360 WeakPolarHBondContact OG1-CG 3.32Å
359G59.8Low72.4Confident73 Ų7365.1 Ų65.175%0.75334%0.342SS*.SBendtrans-75.124.1169.600000114.1L361G359-L361 PolarHBondContact O-N 3.42Å
360R61.4Low70.5Confident142 Ų14268.3 Ų68.354%0.53636%0.355SS..  trans-72.5-12.2-173.1-79.1-172.6174.6175.711.5114.8E354 T358 D362E354-R360 IonicContact OE1-CZ 2.89Å; E354-R360 IonicContact OE1-NE 2.65Å; E354-R360 IonicContact OE1-NH1 3.94Å; E354-R360 PolarHBondContact OE1-NH1 3.47Å; E354-R360 IonicContact OE1-NH2 2.62Å; E354-R360 PolarHBondContact OE1-NH2 2.9Å; E354-R360 IonicContact OE2-NH1 2.9Å; T358-R360 PolarHBondContact O-N 2.95Å; T358-R360 WeakPolarHBondContact OG1-CB 3.36Å; T358-R360 WeakPolarHBondContact OG1-CG 3.32Å; R360-D362 PolarHBondContact O-N 2.85Å
361L64Low68.7Low10 Ų1067.4 Ų67.45%0.05236%0.358CS..SBendtrans-69.3115.1171.5-68.2171.4000108.9A355 G359 V363 K378 L381 I382A355-L361 HydrophobicContact CB-CD1 4.46Å; A355-L361 HydrophobicContact CB-CD2 4.24Å; A355-L361 HydrophobicContact CB-CG 4.18Å; G359-L361 PolarHBondContact O-N 3.42Å; L361-V363 HydrophobicContact CB-CG1 4.37Å; L361-V363 PolarHBondContact O-N 3.18Å; L361-K378 HydrophobicContact CD1-CB 4.14Å; L361-K378 HydrophobicContact CD1-CG 4.11Å; L361-L381 HydrophobicContact CB-CD1 4.1Å; L361-L381 HydrophobicContact CD1-CB 4.31Å; L361-L381 HydrophobicContact CD2-CB 3.93Å; L361-L381 HydrophobicContact CD2-CD1 4.37Å; L361-I382 HydrophobicContact CD1-CD1 3.83Å; L361-I382 HydrophobicContact CD1-CG1 3.86Å
362D65.1Low67.1Low81 Ų8170.6 Ų70.643%0.43338%0.375SS..  trans-72.773.6174.1-168.1-12.4000109.4R360 E364 A365 F366R360-D362 PolarHBondContact O-N 2.85Å; D362-E364 PolarHBondContact O-N 2.61Å; D362-E364 PolarHBondContact OD1-N 2.72Å; D362-A365 HydrophobicContact CB-CB 4.03Å; D362-A365 VanDerWaalsContact CG-CB 3.45Å; D362-A365 WeakPolarHBondContact O-CB 3.22Å; D362-A365 PolarHBondContact O-N 3.38Å; D362-A365 VanDerWaalsContact O-N 3.15Å; D362-A365 PolarHBondContact OD1-N 3.11Å; D362-F366 WeakPolarHBondContact O-CD2 2.86Å
363V64Low65.7Low32 Ų3278.7 Ų78.719%0.19441%0.409CS..G310 helixtrans-60.9-26.6178.8-67.90000111.5L361 F366 M377 K378 L381L361-V363 HydrophobicContact CB-CG1 4.37Å; L361-V363 PolarHBondContact O-N 3.18Å; V363-F366 CarbonylContact O-C 3.57Å; V363-F366 PolarHBondContact O-N 2.88Å; V363-M377 HydrophobicContact CB-CE 4.25Å; V363-M377 HydrophobicContact CG1-CB 4.28Å; V363-M377 WeakPolarHBondContact O-CE 3.43Å; V363-K378 HydrophobicContact CG1-CG 4.1Å; V363-L381 HydrophobicContact CG1-CD1 4.11Å
364E65Low64.5Low169 Ų16978.2 Ų78.279%0.7941%0.413SS*.G310 helixtrans-70.1-32.3177.4-63.6-176-178.900112.2D362 F366 P367D362-E364 PolarHBondContact O-N 2.61Å; D362-E364 PolarHBondContact OD1-N 2.72Å; E364-F366 PolarHBondContact O-N 3.15Å; E364-P367 WeakPolarHBondContact O-CD 3.4Å
365A61.3Low63.4Low14 Ų1480.7 Ų80.712%0.11643%0.425CS..G310 helixtrans-65.6-1617200000113.6D362 P367 S521D362-A365 HydrophobicContact CB-CB 4.03Å; D362-A365 VanDerWaalsContact CG-CB 3.45Å; D362-A365 WeakPolarHBondContact O-CB 3.22Å; D362-A365 PolarHBondContact O-N 3.38Å; D362-A365 VanDerWaalsContact O-N 3.15Å; D362-A365 PolarHBondContact OD1-N 3.11Å; A365-P367 WeakPolarHBondContact O-CD 3.29Å; A365-S521 WeakPolarHBondContact O-CB 3.41Å; A365-S521 PolarHBondContact O-OG 3.3Å
366F63.8Low62.5Low14 Ų1481.3 Ų81.36%0.06143%0.431CS..  trans-113.559.7176.4-61.3-92.5000111.8D362 V363 E364 K368 L369 M377 L381 E440D362-F366 WeakPolarHBondContact O-CD2 2.86Å; V363-F366 CarbonylContact O-C 3.57Å; V363-F366 PolarHBondContact O-N 2.88Å; E364-F366 PolarHBondContact O-N 3.15Å; F366-K368 PolarHBondContact O-N 2.94Å; F366-L369 HydrophobicContact CB-CD1 3.9Å; F366-L369 HydrophobicContact CB-CG 4.38Å; F366-L369 PolarHBondContact O-N 3.14Å; F366-M377 VanDerWaalsContact O-CE 3.23Å; F366-M377 WeakPolarHBondContact O-CE 3.32Å; F366-L381 HydrophobicContact CB-CD2 4.38Å; F366-L381 HydrophobicContact CD1-CD2 3.81Å; F366-L381 HydrophobicContact CD2-CD1 3.78Å; F366-L381 HydrophobicContact CD2-CD2 3.39Å; F366-L381 HydrophobicContact CD2-CG 4.2Å; F366-L381 HydrophobicContact CE1-CD2 3.81Å; F366-L381 HydrophobicContact CE2-CD1 4.1Å; F366-L381 HydrophobicContact CE2-CD2 3.39Å; F366-L381 HydrophobicContact CE2-CG 4.4Å; F366-L381 HydrophobicContact CG-CD1 4.48Å; F366-L381 HydrophobicContact CG-CD2 3.59Å; F366-L381 HydrophobicContact CZ-CD2 3.59Å; F366-E440 HydrophobicContact CZ-CG 3.95Å; F366-E440 WeakPolarHBondContact CZ-OE1 3.42Å
367P56.3Low61.8Low82 Ų8276.7 Ų76.753%0.53241%0.408SS..G310 helixtrans-61.4-17.9-178.429.3-35.1000111.8E364 A365 L369 F370E364-P367 WeakPolarHBondContact O-CD 3.4Å; A365-P367 WeakPolarHBondContact O-CD 3.29Å; P367-L369 PolarHBondContact O-N 3.04Å; P367-F370 VanDerWaalsContact O-CB 3.24Å; P367-F370 WeakPolarHBondContact O-CB 3.47Å; P367-F370 PolarHBondContact O-N 3.01Å
368K58.2Low61.4Low59 Ų5973.5 Ų73.526%0.25739%0.389SS..G310 helixtrans-63.1-23.4176.5-57.5-173-179.1-173.20113.5F366 F370 S541 E629 Y630F366-K368 PolarHBondContact O-N 2.94Å; K368-F370 PolarHBondContact O-N 2.78Å; K368-S541 PolarHBondContact NZ-O 3.45Å; K368-E629 WeakPolarHBondContact CD-OE1 3.17Å; K368-E629 WeakPolarHBondContact CE-OE2 3.38Å; K368-E629 IonicContact NZ-OE1 2.73Å; K368-E629 PolarHBondContact NZ-OE1 3.18Å; K368-E629 IonicContact NZ-OE2 3.23Å; K368-E629 PolarHBondContact NZ-OE2 3.06Å; K368-Y630 VanDerWaalsContact O-O 3.06Å
369L56Low61.8Low12 Ų1277.8 Ų77.86%0.06341%0.405CS..G310 helixtrans-82.410.8178-61.9166.6000112.6F366 P367 S371 L372 M377 V380 L381F366-L369 HydrophobicContact CB-CD1 3.9Å; F366-L369 HydrophobicContact CB-CG 4.38Å; F366-L369 PolarHBondContact O-N 3.14Å; P367-L369 PolarHBondContact O-N 3.04Å; L369-S371 PolarHBondContact O-N 2.74Å; L369-S371 VanDerWaalsContact O-N 3.11Å; L369-L372 HydrophobicContact CB-CD1 4.32Å; L369-L372 HydrophobicContact CD2-CD1 3.93Å; L369-L372 WeakPolarHBondContact O-CA 3.33Å; L369-L372 VanDerWaalsContact O-CB 3.23Å; L369-L372 WeakPolarHBondContact O-CB 3.47Å; L369-L372 PolarHBondContact O-N 2.8Å; L369-M377 HydrophobicContact CB-CB 4.14Å; L369-M377 HydrophobicContact CB-CE 3.76Å; L369-M377 HydrophobicContact CB-CG 3.67Å; L369-M377 HydrophobicContact CB-SD 4.44Å; L369-M377 HydrophobicContact CD1-CB 4.25Å; L369-V380 HydrophobicContact CD1-CB 4.02Å; L369-V380 HydrophobicContact CD1-CG1 4.02Å; L369-V380 HydrophobicContact CD2-CB 4.01Å; L369-V380 HydrophobicContact CD2-CG1 3.76Å; L369-V380 HydrophobicContact CD2-CG2 4.04Å; L369-L381 HydrophobicContact CD1-CD2 4.3Å; L369-L381 HydrophobicContact CD1-CG 4.35Å
370F53.3Low62.5Low181 Ų18176 Ų7679%0.79438%0.38SS*.G310 helixtrans-58.8-23.5-175.2-168.2-96.7000115.1P367 K368 L372P367-F370 VanDerWaalsContact O-CB 3.24Å; P367-F370 WeakPolarHBondContact O-CB 3.47Å; P367-F370 PolarHBondContact O-N 3.01Å; K368-F370 PolarHBondContact O-N 2.78Å; F370-L372 PolarHBondContact O-N 2.78Å
371S56.3Low63.3Low79 Ų7969.3 Ų69.355%0.55236%0.355SS*.G310 helixtrans-64.8-16.2171.357.20000112.7L369L369-S371 PolarHBondContact O-N 2.74Å; L369-S371 VanDerWaalsContact O-N 3.11Å
372L57.8Low64.2Low68 Ų6869.5 Ų69.536%0.35636%0.356SS..SBendtrans-97.5144.8175.5-53.5174.1000110.3L369 F370 M377 V380L369-L372 HydrophobicContact CB-CD1 4.32Å; L369-L372 HydrophobicContact CD2-CD1 3.93Å; L369-L372 WeakPolarHBondContact O-CA 3.33Å; L369-L372 VanDerWaalsContact O-CB 3.23Å; L369-L372 WeakPolarHBondContact O-CB 3.47Å; L369-L372 PolarHBondContact O-N 2.8Å; F370-L372 PolarHBondContact O-N 2.78Å; L372-M377 HydrophobicContact CB-CG 4.14Å; L372-V380 HydrophobicContact CD1-CG2 3.73Å
373K60.3Low65.1Low182 Ų18268.4 Ų68.479%0.79136%0.358SS*.  trans-60.7157.3163.2-63.9-178.2179.2-179.30109.1E375 G376 M377K373-E375 PolarHBondContact O-N 2.85Å; K373-G376 WeakPolarHBondContact O-CA 3.46Å; K373-G376 PolarHBondContact O-N 3.04Å; K373-M377 PolarHBondContact O-N 3.33Å; K373-M377 VanDerWaalsContact O-N 3.07Å
374T62.8Low66.1Low87 Ų8768.1 Ų68.153%0.53435%0.353SS..Hα-helixtrans-46-39.7179.5-48.90000113.3M377 K378T374-M377 WeakPolarHBondContact O-CB 3.26Å; T374-M377 PolarHBondContact O-N 3.24Å; T374-K378 PolarHBondContact O-N 2.98Å; T374-K378 VanDerWaalsContact O-N 3.07Å
375E60.9Low67.2Low121 Ų12160.1 Ų60.157%0.56532%0.316SS*.Hα-helixtrans-63.4-42.7177.1-15561.7-163.200112.8K373 M377 K378 E379K373-E375 PolarHBondContact O-N 2.85Å; E375-M377 VanDerWaalsContact C-N 3.34Å; E375-M377 PolarHBondContact O-N 3.24Å; E375-K378 WeakPolarHBondContact O-CB 3.39Å; E375-K378 PolarHBondContact O-N 3.42Å; E375-E379 WeakPolarHBondContact O-CG 3.33Å; E375-E379 PolarHBondContact O-N 3.32Å
376G63.9Low68.7Low15 Ų1564.5 Ų64.516%0.15533%0.332CS..Hα-helixtrans-68.2-31.7175.100000112.9K373 E379 V380K373-G376 WeakPolarHBondContact O-CA 3.46Å; K373-G376 PolarHBondContact O-N 3.04Å; G376-E379 PolarHBondContact O-N 3.5Å; G376-V380 WeakPolarHBondContact O-CG2 3.3Å; G376-V380 PolarHBondContact O-N 3.22Å; G376-V380 VanDerWaalsContact O-N 3.16Å
377M63.2Low70.2Confident20 Ų2064.1 Ų64.110%0.09933%0.331CS..Hα-helixtrans-63.6-45172.8-57.1179.674.100110.9V363 F366 L369 L372 K373 T374 E375 E379 V380 L381V363-M377 HydrophobicContact CB-CE 4.25Å; V363-M377 HydrophobicContact CG1-CB 4.28Å; V363-M377 WeakPolarHBondContact O-CE 3.43Å; F366-M377 VanDerWaalsContact O-CE 3.23Å; F366-M377 WeakPolarHBondContact O-CE 3.32Å; L369-M377 HydrophobicContact CB-CB 4.14Å; L369-M377 HydrophobicContact CB-CE 3.76Å; L369-M377 HydrophobicContact CB-CG 3.67Å; L369-M377 HydrophobicContact CB-SD 4.44Å; L369-M377 HydrophobicContact CD1-CB 4.25Å; L372-M377 HydrophobicContact CB-CG 4.14Å; K373-M377 PolarHBondContact O-N 3.33Å; K373-M377 VanDerWaalsContact O-N 3.07Å; T374-M377 WeakPolarHBondContact O-CB 3.26Å; T374-M377 PolarHBondContact O-N 3.24Å; E375-M377 VanDerWaalsContact C-N 3.34Å; E375-M377 PolarHBondContact O-N 3.24Å; M377-E379 PolarHBondContact O-N 3.37Å; M377-V380 PolarHBondContact O-N 2.83Å; M377-L381 WeakPolarHBondContact O-CG 3.49Å; M377-L381 PolarHBondContact O-N 2.79Å; M377-L381 VanDerWaalsContact O-N 3.11Å
378K70.9Confident72Confident59 Ų5962 Ų6226%0.25732%0.316SS..Hα-helixtrans-59.4-45.8175.2-72.5-177.9177.7-179.20111.4L361 V363 T374 E375 V380 L381 I382L361-K378 HydrophobicContact CD1-CB 4.14Å; L361-K378 HydrophobicContact CD1-CG 4.11Å; V363-K378 HydrophobicContact CG1-CG 4.1Å; T374-K378 PolarHBondContact O-N 2.98Å; T374-K378 VanDerWaalsContact O-N 3.07Å; E375-K378 WeakPolarHBondContact O-CB 3.39Å; E375-K378 PolarHBondContact O-N 3.42Å; K378-V380 VanDerWaalsContact C-N 3.29Å; K378-V380 PolarHBondContact O-N 3.09Å; K378-L381 PolarHBondContact O-N 3.16Å; K378-I382 WeakPolarHBondContact O-CB 3.4Å; K378-I382 VanDerWaalsContact O-CG1 3.26Å; K378-I382 WeakPolarHBondContact O-CG1 3.33Å; K378-I382 PolarHBondContact O-N 2.93Å
379E74.3Confident73.8Confident133 Ų13362.3 Ų62.362%0.62132%0.324SS*.Hα-helixtrans-55.8-42.6177.4-74.8177.9178.800112.3E375 G376 M377 A383E375-E379 WeakPolarHBondContact O-CG 3.33Å; E375-E379 PolarHBondContact O-N 3.32Å; G376-E379 PolarHBondContact O-N 3.5Å; M377-E379 PolarHBondContact O-N 3.37Å; E379-A383 VanDerWaalsContact O-CB 3.28Å; E379-A383 WeakPolarHBondContact O-CB 3.49Å; E379-A383 PolarHBondContact O-N 3.49Å
380V74.8Confident75.6Confident37 Ų3765.6 Ų65.622%0.22435%0.348CS..Hα-helixtrans-66.7-44.7178.1174.80000111.6L369 L372 G376 M377 K378 A383 R384L369-V380 HydrophobicContact CD1-CB 4.02Å; L369-V380 HydrophobicContact CD1-CG1 4.02Å; L369-V380 HydrophobicContact CD2-CB 4.01Å; L369-V380 HydrophobicContact CD2-CG1 3.76Å; L369-V380 HydrophobicContact CD2-CG2 4.04Å; L372-V380 HydrophobicContact CD1-CG2 3.73Å; G376-V380 WeakPolarHBondContact O-CG2 3.3Å; G376-V380 PolarHBondContact O-N 3.22Å; G376-V380 VanDerWaalsContact O-N 3.16Å; M377-V380 PolarHBondContact O-N 2.83Å; K378-V380 VanDerWaalsContact C-N 3.29Å; K378-V380 PolarHBondContact O-N 3.09Å; V380-A383 PolarHBondContact O-N 2.82Å; V380-R384 VanDerWaalsContact O-CG 3.29Å; V380-R384 WeakPolarHBondContact O-CG 3.33Å; V380-R384 PolarHBondContact O-N 2.84Å
381L78Confident77.4Confident1 Ų160 Ų601%0.00532%0.324CS..Hα-helixtrans-64.6-42.5178.3-63.7179.2000112.1L361 V363 F366 L369 M377 K378 A383 R384 M385L361-L381 HydrophobicContact CB-CD1 4.1Å; L361-L381 HydrophobicContact CD1-CB 4.31Å; L361-L381 HydrophobicContact CD2-CB 3.93Å; L361-L381 HydrophobicContact CD2-CD1 4.37Å; V363-L381 HydrophobicContact CG1-CD1 4.11Å; F366-L381 HydrophobicContact CB-CD2 4.38Å; F366-L381 HydrophobicContact CD1-CD2 3.81Å; F366-L381 HydrophobicContact CD2-CD1 3.78Å; F366-L381 HydrophobicContact CD2-CD2 3.39Å; F366-L381 HydrophobicContact CD2-CG 4.2Å; F366-L381 HydrophobicContact CE1-CD2 3.81Å; F366-L381 HydrophobicContact CE2-CD1 4.1Å; F366-L381 HydrophobicContact CE2-CD2 3.39Å; F366-L381 HydrophobicContact CE2-CG 4.4Å; F366-L381 HydrophobicContact CG-CD1 4.48Å; F366-L381 HydrophobicContact CG-CD2 3.59Å; F366-L381 HydrophobicContact CZ-CD2 3.59Å; L369-L381 HydrophobicContact CD1-CD2 4.3Å; L369-L381 HydrophobicContact CD1-CG 4.35Å; M377-L381 WeakPolarHBondContact O-CG 3.49Å; M377-L381 PolarHBondContact O-N 2.79Å; M377-L381 VanDerWaalsContact O-N 3.11Å; K378-L381 PolarHBondContact O-N 3.16Å; L381-A383 VanDerWaalsContact C-N 3.33Å; L381-A383 PolarHBondContact O-N 2.8Å; L381-R384 WeakPolarHBondContact O-CB 3.25Å; L381-R384 PolarHBondContact O-N 2.86Å; L381-M385 WeakPolarHBondContact O-CB 3.45Å; L381-M385 PolarHBondContact O-N 2.76Å
382I83.3Confident79.2Confident13 Ų1356.3 Ų56.37%0.06730%0.298CS..Hα-helixtrans-60.2-43.2172.5-68.5-63.9000110.7V352 A355 M356 L361 K378 R384 M385 K386V352-I382 HydrophobicContact CG1-CG2 3.97Å; A355-I382 HydrophobicContact CB-CD1 3.61Å; M356-I382 HydrophobicContact CE-CG2 3.76Å; M356-I382 HydrophobicContact CG-CD1 4.12Å; M356-I382 HydrophobicContact CG-CG1 4.38Å; L361-I382 HydrophobicContact CD1-CD1 3.83Å; L361-I382 HydrophobicContact CD1-CG1 3.86Å; K378-I382 WeakPolarHBondContact O-CB 3.4Å; K378-I382 VanDerWaalsContact O-CG1 3.26Å; K378-I382 WeakPolarHBondContact O-CG1 3.33Å; K378-I382 PolarHBondContact O-N 2.93Å; I382-R384 VanDerWaalsContact C-N 3.27Å; I382-R384 PolarHBondContact O-N 2.87Å; I382-M385 HydrophobicContact CD1-CE 4.02Å; I382-M385 PolarHBondContact O-N 3.31Å; I382-M385 VanDerWaalsContact O-N 3.12Å; I382-K386 WeakPolarHBondContact O-CB 3.33Å; I382-K386 PolarHBondContact O-N 3.4Å
383A83.2Confident81Confident58 Ų5855.8 Ų55.848%0.47930%0.297SS..Hα-helixtrans-63.8-32.2178.300000112.9E379 V380 L381 K391E379-A383 VanDerWaalsContact O-CB 3.28Å; E379-A383 WeakPolarHBondContact O-CB 3.49Å; E379-A383 PolarHBondContact O-N 3.49Å; V380-A383 PolarHBondContact O-N 2.82Å; L381-A383 VanDerWaalsContact C-N 3.33Å; L381-A383 PolarHBondContact O-N 2.8Å; A383-K391 PolarHBondContact O-NZ 2.77Å
384R84.9Confident82.4Confident27 Ų2750.7 Ų50.710%0.10228%0.284CS..Hα-helixtrans-68.1-43.1172.3-64.2171.956.1137.10.8110.8V380 L381 I382 S441 R442V380-R384 VanDerWaalsContact O-CG 3.29Å; V380-R384 WeakPolarHBondContact O-CG 3.33Å; V380-R384 PolarHBondContact O-N 2.84Å; L381-R384 WeakPolarHBondContact O-CB 3.25Å; L381-R384 PolarHBondContact O-N 2.86Å; I382-R384 VanDerWaalsContact C-N 3.27Å; I382-R384 PolarHBondContact O-N 2.87Å; R384-S441 CarbonylContact C-O 3.49Å; R384-S441 WeakPolarHBondContact CB-O 3.23Å; R384-R442 VanDerWaalsContact CZ-NH1 3.27Å; R384-R442 VanDerWaalsContact CZ-NH2 3.29Å
385M88.9Confident83.7Confident0 Ų046.8 Ų46.80%026%0.26CS..Hα-helixtrans-76-33-176.7-167.4176.278.900113.9N348 D351 V352 A355 L381 I382 L387 S441 P443 E467 A468N348-M385 PolarHBondContact ND2-O 3.31Å; D351-M385 HydrophobicContact CB-CE 4.17Å; D351-M385 WeakPolarHBondContact O-CE 3.21Å; V352-M385 HydrophobicContact CB-CE 4.1Å; V352-M385 HydrophobicContact CG2-CE 3.6Å; A355-M385 HydrophobicContact CB-CE 3.63Å; A355-M385 HydrophobicContact CB-SD 4.45Å; L381-M385 WeakPolarHBondContact O-CB 3.45Å; L381-M385 PolarHBondContact O-N 2.76Å; I382-M385 HydrophobicContact CD1-CE 4.02Å; I382-M385 PolarHBondContact O-N 3.31Å; I382-M385 VanDerWaalsContact O-N 3.12Å; M385-L387 PolarHBondContact O-N 3.39Å; M385-S441 WeakPolarHBondContact CA-O 3.48Å; M385-S441 PolarHBondContact N-O 2.89Å; M385-S441 VanDerWaalsContact N-O 3.15Å; M385-P443 HydrophobicContact CG-CG 4.44Å; M385-P443 WeakPolarHBondContact O-CG 3.49Å; M385-E467 HydrophobicContact SD-CB 3.97Å; M385-E467 HydrophobicContact SD-CG 3.66Å; M385-A468 HydrophobicContact CG-CB 4.03Å; M385-A468 HydrophobicContact SD-CB 4.19Å
386K92.3Very high85.3Confident106 Ų10643 Ų4346%0.46124%0.241SC..  trans-67.4123.5-175.4-176.2173.2-175.8172.50111.4N348 V352 I382 T388 K391N348-K386 WeakPolarHBondContact OD1-CA 3.44Å; V352-K386 HydrophobicContact CG2-CB 4.17Å; V352-K386 HydrophobicContact CG2-CG 4.49Å; I382-K386 WeakPolarHBondContact O-CB 3.33Å; I382-K386 PolarHBondContact O-N 3.4Å; K386-T388 HydrophobicContact CG-CG2 4.39Å; K386-K391 WeakPolarHBondContact O-CD 3.32Å; K386-K391 WeakPolarHBondContact O-CE 3.47Å; K386-K391 PolarHBondContact O-NZ 3.32Å
387L94.4Very high86.7Confident7 Ų746.7 Ų46.74%0.03725%0.254CS..  trans-88.5143.3168.2-61178.5000109.3I344 L345 N348 M385 P443 D444 L475I344-L387 HydrophobicContact CG2-CD1 3.65Å; L345-L387 HydrophobicContact CD2-CB 4.17Å; N348-L387 HydrophobicContact CB-CB 4.2Å; N348-L387 HydrophobicContact CB-CD1 4.09Å; N348-L387 HydrophobicContact CB-CG 4.26Å; N348-L387 PolarHBondContact OD1-N 2.84Å; M385-L387 PolarHBondContact O-N 3.39Å; L387-P443 HydrophobicContact CD1-CG 4.43Å; L387-P443 HydrophobicContact CD2-CG 4.21Å; L387-P443 HydrophobicContact CG-CG 4.19Å; L387-D444 HydrophobicContact CD2-CB 3.76Å; L387-L475 HydrophobicContact CD1-CD1 4.28Å
388T94.4Very high88Confident36 Ų3646.1 Ų46.122%0.22125%0.253CS..  trans-132.6157.7177.561.70000108.8K386 S390 K391 L392K386-T388 HydrophobicContact CG-CG2 4.39Å; T388-S390 PolarHBondContact O-N 2.85Å; T388-S390 PolarHBondContact OG1-OG 3.29Å; T388-K391 PolarHBondContact O-N 3Å; T388-K391 WeakPolarHBondContact OG1-CG 3.18Å; T388-K391 PolarHBondContact OG1-N 3.19Å; T388-K391 VanDerWaalsContact OG1-N 3.16Å; T388-L392 PolarHBondContact O-N 2.63Å
389P95.9Very high89.1Confident66 Ų6643.3 Ų43.343%0.42924%0.241SC..Hα-helixtrans-50.5-41.5173.2-29.235000112.4L345 L392 V393L345-P389 HydrophobicContact CD1-CG 3.94Å; P389-L392 PolarHBondContact O-N 3.38Å; P389-V393 WeakPolarHBondContact O-CG2 3.24Å; P389-V393 PolarHBondContact O-N 2.97Å
390S93.4Very high90Very high81 Ų8141.6 Ų41.657%0.56623%0.233SC*.Hα-helixtrans-62.8-43.8176.155.70000113.5T388 L392 V393 S394T388-S390 PolarHBondContact O-N 2.85Å; T388-S390 PolarHBondContact OG1-OG 3.29Å; S390-L392 VanDerWaalsContact C-N 3.3Å; S390-L392 PolarHBondContact O-N 3.06Å; S390-V393 PolarHBondContact O-N 3.38Å; S390-S394 PolarHBondContact O-N 2.8Å; S390-S394 PolarHBondContact O-OG 2.92Å
391K90.7Very high90.8Very high64 Ų6443.7 Ų43.728%0.27824%0.24SC..Hα-helixtrans-62-39.3175.1-77.9-175.2178.3-175.80111.4A383 K386 T388 S394 L395A383-K391 PolarHBondContact O-NZ 2.77Å; K386-K391 WeakPolarHBondContact O-CD 3.32Å; K386-K391 WeakPolarHBondContact O-CE 3.47Å; K386-K391 PolarHBondContact O-NZ 3.32Å; T388-K391 PolarHBondContact O-N 3Å; T388-K391 WeakPolarHBondContact OG1-CG 3.18Å; T388-K391 PolarHBondContact OG1-N 3.19Å; T388-K391 VanDerWaalsContact OG1-N 3.16Å; K391-S394 PolarHBondContact O-N 3.45Å; K391-L395 WeakPolarHBondContact O-CB 3.37Å; K391-L395 PolarHBondContact O-N 3.24Å
392L95.1Very high91.5Very high1 Ų143.7 Ų43.71%0.00524%0.24CC..Hα-helixtrans-69-36.7178-66.6178.2000112.2E341 I344 L345 T388 P389 S390 L395 R396E341-L392 HydrophobicContact CG-CD1 3.8Å; I344-L392 HydrophobicContact CB-CD1 4.46Å; I344-L392 HydrophobicContact CG2-CD1 4.13Å; I344-L392 HydrophobicContact CG2-CD2 4.09Å; L345-L392 HydrophobicContact CD2-CD1 3.9Å; L345-L392 HydrophobicContact CG-CD1 4Å; T388-L392 PolarHBondContact O-N 2.63Å; P389-L392 PolarHBondContact O-N 3.38Å; S390-L392 VanDerWaalsContact C-N 3.3Å; S390-L392 PolarHBondContact O-N 3.06Å; L392-L395 HydrophobicContact CD2-CD2 4.13Å; L392-L395 PolarHBondContact O-N 3.32Å; L392-R396 WeakPolarHBondContact O-CB 3.24Å; L392-R396 WeakPolarHBondContact O-CG 3.34Å; L392-R396 PolarHBondContact O-N 3.49Å
393V94.8Very high92.1Very high58 Ų5843.1 Ų43.135%0.35224%0.238SC..Hα-helixtrans-61.6-51.3171171.60000110.6P389 S390 L395 R396 E397P389-V393 WeakPolarHBondContact O-CG2 3.24Å; P389-V393 PolarHBondContact O-N 2.97Å; S390-V393 PolarHBondContact O-N 3.38Å; V393-L395 VanDerWaalsContact C-N 3.3Å; V393-L395 PolarHBondContact O-N 3.48Å; V393-R396 WeakPolarHBondContact O-CB 3.2Å; V393-R396 PolarHBondContact O-N 3.35Å; V393-R396 VanDerWaalsContact O-N 3.14Å; V393-E397 WeakPolarHBondContact O-CG 3.23Å; V393-E397 PolarHBondContact O-N 3.23Å
394S89.9Confident92.6Very high74 Ų7443.1 Ų43.152%0.51724%0.238SC..Hα-helixtrans-60.4-39.8177.9-60.30000112.6S390 K391 E397 G398S390-S394 PolarHBondContact O-N 2.8Å; S390-S394 PolarHBondContact O-OG 2.92Å; K391-S394 PolarHBondContact O-N 3.45Å; S394-E397 PolarHBondContact O-N 2.98Å; S394-G398 PolarHBondContact O-N 3.46Å
395L90.9Very high92.8Very high5 Ų543.7 Ų43.73%0.02625%0.248CC..Hα-helixtrans-59.8-46.7174.9174.265.6000111.4L337 K391 L392 V393 G398 I399 P447 Q448L337-L395 HydrophobicContact CD1-CD2 3.61Å; L337-L395 HydrophobicContact CD1-CG 3.87Å; L337-L395 HydrophobicContact CD2-CD2 4.22Å; K391-L395 WeakPolarHBondContact O-CB 3.37Å; K391-L395 PolarHBondContact O-N 3.24Å; L392-L395 HydrophobicContact CD2-CD2 4.13Å; L392-L395 PolarHBondContact O-N 3.32Å; V393-L395 VanDerWaalsContact C-N 3.3Å; V393-L395 PolarHBondContact O-N 3.48Å; L395-G398 PolarHBondContact O-N 3.09Å; L395-I399 HydrophobicContact CD1-CD1 3.93Å; L395-I399 HydrophobicContact CD1-CG1 4.37Å; L395-I399 HydrophobicContact CG-CD1 3.94Å; L395-I399 VanDerWaalsContact O-CG1 3.23Å; L395-I399 WeakPolarHBondContact O-CG1 3.38Å; L395-I399 PolarHBondContact O-N 2.91Å; L395-P447 HydrophobicContact CD1-CB 4.2Å; L395-P447 HydrophobicContact CD1-CG 3.81Å; L395-P447 HydrophobicContact CD2-CB 4.02Å; L395-P447 HydrophobicContact CD2-CG 3.34Å; L395-P447 HydrophobicContact CG-CG 4.13Å; L395-Q448 HydrophobicContact CD1-CB 4.35Å; L395-Q448 HydrophobicContact CD1-CG 3.16Å
396R94.6Very high93Very high43 Ų4343.7 Ų43.716%0.16225%0.248CC..Hα-helixtrans-64-44178.6-75.3169.749.5-146.7-19.1112.1A334 L337 K338 L392 V393 G398 I399 Q400A334-R396 WeakPolarHBondContact O-CG 3.48Å; A334-R396 PolarHBondContact O-NE 2.77Å; L337-R396 HydrophobicContact CB-CG 3.73Å; L337-R396 HydrophobicContact CD1-CG 4.1Å; K338-R396 VanDerWaalsContact CG-NH1 3.34Å; L392-R396 WeakPolarHBondContact O-CB 3.24Å; L392-R396 WeakPolarHBondContact O-CG 3.34Å; L392-R396 PolarHBondContact O-N 3.49Å; V393-R396 WeakPolarHBondContact O-CB 3.2Å; V393-R396 PolarHBondContact O-N 3.35Å; V393-R396 VanDerWaalsContact O-N 3.14Å; R396-G398 VanDerWaalsContact C-N 3.34Å; R396-I399 PolarHBondContact O-N 2.76Å; R396-Q400 WeakPolarHBondContact O-CG 3.47Å; R396-Q400 PolarHBondContact O-N 2.81Å
397E91.7Very high93Very high91 Ų9140.8 Ų40.843%0.42524%0.236SC..Hα-helixtrans-60.1-45.7175.7-71.4176.7163.500111V393 S394 I399 Q400 Q401V393-E397 WeakPolarHBondContact O-CG 3.23Å; V393-E397 PolarHBondContact O-N 3.23Å; S394-E397 PolarHBondContact O-N 2.98Å; E397-I399 PolarHBondContact O-N 3.15Å; E397-Q400 PolarHBondContact O-N 3.45Å; E397-Q401 WeakPolarHBondContact O-CG 3.36Å; E397-Q401 PolarHBondContact O-N 3.07Å
398G90.5Very high92.8Very high8 Ų846.2 Ų46.28%0.08227%0.265CS..Hα-helixtrans-57.8-46.7174.300000112.3S394 L395 R396 Q400 Q401 I402S394-G398 PolarHBondContact O-N 3.46Å; L395-G398 PolarHBondContact O-N 3.09Å; R396-G398 VanDerWaalsContact C-N 3.34Å; G398-Q400 VanDerWaalsContact C-N 3.32Å; G398-Q400 PolarHBondContact O-N 3.2Å; G398-Q401 WeakPolarHBondContact O-CB 3.12Å; G398-Q401 PolarHBondContact O-N 3.43Å; G398-I402 VanDerWaalsContact O-CG1 3.28Å; G398-I402 WeakPolarHBondContact O-CG1 3.33Å; G398-I402 PolarHBondContact O-N 2.83Å
399I94.4Very high92.5Very high1 Ų145.2 Ų45.21%0.00526%0.259CS..Hα-helixtrans-63.4-37.8177.8-66.2169.2000111.8L330 L333 A334 L337 L395 R396 E397 I402 A403 P447 S451L330-I399 HydrophobicContact CB-CG2 4.07Å; L330-I399 HydrophobicContact CG-CG2 4.44Å; L330-I399 VanDerWaalsContact O-CG2 3.25Å; L330-I399 WeakPolarHBondContact O-CG2 3.27Å; L333-I399 HydrophobicContact CD2-CD1 4.25Å; L333-I399 HydrophobicContact CG-CD1 4.36Å; A334-I399 HydrophobicContact CB-CB 4.36Å; A334-I399 HydrophobicContact CB-CG2 4.02Å; L337-I399 HydrophobicContact CD1-CD1 3.5Å; L395-I399 HydrophobicContact CD1-CD1 3.93Å; L395-I399 HydrophobicContact CD1-CG1 4.37Å; L395-I399 HydrophobicContact CG-CD1 3.94Å; L395-I399 VanDerWaalsContact O-CG1 3.23Å; L395-I399 WeakPolarHBondContact O-CG1 3.38Å; L395-I399 PolarHBondContact O-N 2.91Å; R396-I399 PolarHBondContact O-N 2.76Å; E397-I399 PolarHBondContact O-N 3.15Å; I399-I402 PolarHBondContact O-N 3.35Å; I399-A403 WeakPolarHBondContact O-CB 3.05Å; I399-A403 PolarHBondContact O-N 2.95Å; I399-P447 HydrophobicContact CD1-CB 4.22Å; I399-S451 WeakPolarHBondContact CG1-OG 3.25Å
400Q94.4Very high92.3Very high97 Ų9743 Ų4345%0.45324%0.243SC..Hα-helixtrans-65.3-38.8175-73.8177.8-3.300112.3A334 R396 E397 G398 A403 A404A334-Q400 HydrophobicContact CB-CG 4.02Å; R396-Q400 WeakPolarHBondContact O-CG 3.47Å; R396-Q400 PolarHBondContact O-N 2.81Å; E397-Q400 PolarHBondContact O-N 3.45Å; G398-Q400 VanDerWaalsContact C-N 3.32Å; G398-Q400 PolarHBondContact O-N 3.2Å; Q400-A403 WeakPolarHBondContact O-CB 3.25Å; Q400-A403 PolarHBondContact O-N 3.35Å; Q400-A404 PolarHBondContact O-N 2.95Å
401Q91.9Very high92.2Very high80 Ų8041.2 Ų41.237%0.37424%0.238SC..Hα-helixtrans-64.4-44.6174.3-68.717519.900111.4E397 G398 A403 A404 A405 G698E397-Q401 WeakPolarHBondContact O-CG 3.36Å; E397-Q401 PolarHBondContact O-N 3.07Å; G398-Q401 WeakPolarHBondContact O-CB 3.12Å; G398-Q401 PolarHBondContact O-N 3.43Å; Q401-A403 VanDerWaalsContact C-N 3.3Å; Q401-A403 PolarHBondContact O-N 2.92Å; Q401-A404 PolarHBondContact O-N 3.39Å; Q401-A405 PolarHBondContact O-N 3.47Å; Q401-G698 VanDerWaalsContact OE1-CA 3.23Å
402I92.4Very high92.3Very high1 Ų144.1 Ų44.11%0.00525%0.251CS..Hα-helixtrans-59.7-43.9174-59.3163.3000109.9L330 G398 I399 A404 A405 A406 L452 A455 A699 M716L330-I402 HydrophobicContact CD2-CB 3.95Å; L330-I402 HydrophobicContact CD2-CG2 3.42Å; L330-I402 VanDerWaalsContact CD2-CG2 3.42Å; G398-I402 VanDerWaalsContact O-CG1 3.28Å; G398-I402 WeakPolarHBondContact O-CG1 3.33Å; G398-I402 PolarHBondContact O-N 2.83Å; I399-I402 PolarHBondContact O-N 3.35Å; I402-A404 PolarHBondContact O-N 2.95Å; I402-A405 PolarHBondContact O-N 3.01Å; I402-A406 VanDerWaalsContact O-CB 3.26Å; I402-A406 WeakPolarHBondContact O-CB 3.35Å; I402-A406 PolarHBondContact O-N 3.3Å; I402-L452 HydrophobicContact CD1-CD2 3.8Å; I402-L452 HydrophobicContact CD1-CG 3.92Å; I402-L452 HydrophobicContact CG1-CD2 3.98Å; I402-L452 HydrophobicContact CG2-CD2 4.22Å; I402-A455 HydrophobicContact CG2-CB 3.61Å; I402-A699 HydrophobicContact CD1-CB 3.74Å; I402-A699 HydrophobicContact CG1-CB 4.3Å; I402-M716 HydrophobicContact CG2-CG 4.27Å; I402-M716 HydrophobicContact CG2-SD 3.8Å
403A94.7Very high92.1Very high1 Ų146 Ų461%0.00826%0.264CS..Hα-helixtrans-61.5-41.7179.200000112.6A327 L330 R331 I399 Q400 Q401 A406A327-A403 VanDerWaalsContact CB-O 3.24Å; A327-A403 WeakPolarHBondContact CB-O 3.09Å; L330-A403 HydrophobicContact CB-CB 3.7Å; L330-A403 HydrophobicContact CD2-CB 4.27Å; R331-A403 HydrophobicContact CG-CB 3.96Å; I399-A403 WeakPolarHBondContact O-CB 3.05Å; I399-A403 PolarHBondContact O-N 2.95Å; Q400-A403 WeakPolarHBondContact O-CB 3.25Å; Q400-A403 PolarHBondContact O-N 3.35Å; Q401-A403 VanDerWaalsContact C-N 3.3Å; Q401-A403 PolarHBondContact O-N 2.92Å; A403-A406 PolarHBondContact O-N 3.41Å
404A93.3Very high92Very high58 Ų5847.2 Ų47.248%0.47927%0.267SS..Hα-helixtrans-64.3-43.517700000111.7Q400 Q401 I402Q400-A404 PolarHBondContact O-N 2.95Å; Q401-A404 PolarHBondContact O-N 3.39Å; I402-A404 PolarHBondContact O-N 2.95Å
405A91Very high92.1Very high39 Ų3949.4 Ų49.432%0.32226%0.264SS..Hα-helixtrans-69.7-37.9178.500000112.3Q401 I402 E407 N408 T409 M716Q401-A405 PolarHBondContact O-N 3.47Å; I402-A405 PolarHBondContact O-N 3.01Å; A405-E407 PolarHBondContact O-N 3.24Å; A405-N408 PolarHBondContact O-N 3.15Å; A405-T409 PolarHBondContact O-N 2.96Å; A405-T409 PolarHBondContact O-OG1 3.1Å; A405-M716 HydrophobicContact CB-CE 3.23Å; A405-M716 HydrophobicContact CB-SD 4.22Å
406A92.8Very high92.3Very high0 Ų053.6 Ų53.60%028%0.279CS..Hα-helixtrans-53.5-25.1-179.600000113.9N323 A327 I402 A403 N408 A455N323-A406 WeakPolarHBondContact CB-O 3.45Å; A327-A406 HydrophobicContact CB-CB 4.39Å; I402-A406 VanDerWaalsContact O-CB 3.26Å; I402-A406 WeakPolarHBondContact O-CB 3.35Å; I402-A406 PolarHBondContact O-N 3.3Å; A403-A406 PolarHBondContact O-N 3.41Å; A406-N408 PolarHBondContact O-N 2.99Å; A406-A455 HydrophobicContact CB-CB 3.79Å
407E92.8Very high92.3Very high45 Ų4552 Ų5221%0.2128%0.275CS..THydrogen-bonded Turntrans-59.8-26.2178.2-61.5-158151.500113.5N323 H324 A327 R331 A405N323-E407 WeakPolarHBondContact CB-O 3.36Å; N323-E407 PolarHBondContact ND2-O 3.38Å; H324-E407 IonicContact CE1-OE1 3Å; H324-E407 IonicContact CE1-OE2 3.91Å; H324-E407 VanDerWaalsContact ND1-CD 3.29Å; H324-E407 IonicContact ND1-OE1 3.19Å; H324-E407 PolarHBondContact ND1-OE1 2.93Å; H324-E407 IonicContact ND1-OE2 3.91Å; A327-E407 HydrophobicContact CB-CG 3.76Å; R331-E407 IonicContact CZ-OE1 3.72Å; R331-E407 IonicContact NH1-OE1 3.6Å; R331-E407 PolarHBondContact NH1-OE1 3.49Å; R331-E407 VanDerWaalsContact NH1-OE1 3.14Å; R331-E407 IonicContact NH2-OE1 3.76Å; R331-E407 PolarHBondContact NH2-OE1 3.45Å; A405-E407 PolarHBondContact O-N 3.24Å
408N89.5Confident92.5Very high122 Ų12250.1 Ų50.165%0.65227%0.265SS*.THydrogen-bonded Turntrans-128.68.7-174.2-61-57.4000114.2A405 A406A405-N408 PolarHBondContact O-N 3.15Å; A406-N408 PolarHBondContact O-N 2.99Å
409T87.3Confident92.8Very high15 Ų1550.8 Ų50.89%0.09227%0.267CS..THydrogen-bonded Turntrans-87.6-51.4-171-63.10000112.8A405 K412 T429 M716 M720A405-T409 PolarHBondContact O-N 2.96Å; A405-T409 PolarHBondContact O-OG1 3.1Å; T409-K412 WeakPolarHBondContact O-CB 3.37Å; T409-T429 PolarHBondContact O-OG1 3.42Å; T409-M716 HydrophobicContact CG2-CB 4.2Å; T409-M716 HydrophobicContact CG2-SD 4.38Å; T409-M720 HydrophobicContact CG2-CE 3.22Å; T409-M720 HydrophobicContact CG2-SD 3.65Å
410L91.5Very high92.8Very high18 Ų1850.9 Ų50.99%0.09427%0.267CS..THydrogen-bonded Turntrans-82.9138-176.5-159.265.1000111.6N323 K412 T456 M720N323-L410 PolarHBondContact ND2-O 2.92Å; N323-L410 VanDerWaalsContact ND2-O 3.17Å; N323-L410 PolarHBondContact OD1-O 3.46Å; L410-K412 PolarHBondContact O-N 2.74Å; L410-T456 VanDerWaalsContact CD1-O 3.31Å; L410-T456 WeakPolarHBondContact CD1-O 3.28Å; L410-M720 HydrophobicContact CD1-CG 4.32Å; L410-M720 HydrophobicContact CD1-SD 3.62Å
411G92.2Very high92.6Very high44 Ų4451.7 Ų51.745%0.45428%0.275SS..THydrogen-bonded Turntrans76.38.6-176.900000114C413 T429G411-C413 PolarHBondContact O-N 3.44Å; G411-T429 WeakPolarHBondContact CA-O 3.36Å; G411-T429 PolarHBondContact N-O 2.66Å; G411-T429 PolarHBondContact N-OG1 2.97Å
412K91.8Very high92.7Very high126 Ų12650.7 Ų50.755%0.54829%0.286SS..  trans-64.9128.9177.2-177.7179.2177.4-177.80109.8T409 L410 I414 I428 T429T409-K412 WeakPolarHBondContact O-CB 3.37Å; L410-K412 PolarHBondContact O-N 2.74Å; K412-I414 PolarHBondContact O-N 3.16Å; K412-I428 CarbonylContact O-C 3.54Å; K412-I428 VanDerWaalsContact O-CA 3.23Å; K412-I428 WeakPolarHBondContact O-CA 3.45Å; K412-T429 HydrophobicContact CB-CG2 4.31Å; K412-T429 PolarHBondContact N-OG1 2.86Å; K412-T429 PolarHBondContact O-N 3.48Å
413C92.1Very high92.8Very high41 Ų4151.3 Ų51.328%0.27729%0.289SS..EExtended strand (participates in β ladder)trans-77.9116.4174.4-169.10000109.9G411 R415 I428 L750G411-C413 PolarHBondContact O-N 3.44Å; C413-R415 PolarHBondContact SG-O 3.49Å; C413-I428 HydrophobicContact CB-CG2 4.33Å; C413-L750 HydrophobicContact CB-CD1 4.41Å
414I91.7Very high92.9Very high82 Ų8252.9 Ų52.942%0.42130%0.297SS..EExtended strand (participates in β ladder)trans-99.6-23.4-179.759.5164.8000112.6K412 Q427 T429 T722K412-I414 PolarHBondContact O-N 3.16Å; I414-Q427 HydrophobicContact CD1-CG 3.92Å; I414-Q427 HydrophobicContact CG1-CB 4.04Å; I414-Q427 HydrophobicContact CG1-CG 3.91Å; I414-Q427 VanDerWaalsContact CG1-O 3.29Å; I414-Q427 WeakPolarHBondContact CG1-O 3.46Å; I414-Q427 PolarHBondContact N-O 3.2Å; I414-T429 HydrophobicContact CG2-CG2 4.02Å; I414-T722 HydrophobicContact CD1-CG2 3.42Å; I414-T722 VanDerWaalsContact CD1-CG2 3.42Å
415R92.6Very high93Very high121 Ų12151.8 Ų51.846%0.45728%0.283SS..EExtended strand (participates in β ladder)trans-145.4140.4174.4-166.2-178.1179.1112.80.3110.4C413 E426 Q427C413-R415 PolarHBondContact SG-O 3.49Å; R415-E426 CarbonylContact O-C 3.35Å; R415-E426 WeakPolarHBondContact O-CA 3.16Å; R415-Q427 HydrophobicContact CB-CB 3.91Å; R415-Q427 PolarHBondContact N-O 3.39Å; R415-Q427 PolarHBondContact O-N 2.86Å
416R95.1Very high93.3Very high92 Ų9250.8 Ų50.835%0.34727%0.272SS..EExtended strand (participates in β ladder)trans-142.3116.6-178.6-168.2176.1-150.5-161.51.9108.6L424 L425 E426 N748 M749 L750R416-L424 HydrophobicContact CG-CD1 3.95Å; R416-L425 CarbonylContact C-O 3.53Å; R416-L425 WeakPolarHBondContact CA-O 3.44Å; R416-E426 HydrophobicContact CG-CG 3.95Å; R416-E426 IonicContact CZ-OE1 3.09Å; R416-E426 VanDerWaalsContact CZ-OE1 3.22Å; R416-E426 IonicContact NE-OE1 3.09Å; R416-E426 PolarHBondContact NE-OE1 3.42Å; R416-E426 IonicContact NH2-OE1 2.91Å; R416-E426 PolarHBondContact NH2-OE1 2.95Å; R416-N748 PolarHBondContact O-OD1 2.83Å; R416-M749 HydrophobicContact CB-CB 4.3Å; R416-M749 HydrophobicContact CG-CB 4.01Å; R416-M749 PolarHBondContact O-N 3Å; R416-L750 HydrophobicContact CB-CB 4.16Å; R416-L750 HydrophobicContact CB-CD1 3.65Å; R416-L750 HydrophobicContact CB-CG 3.75Å
417T95.5Very high93.4Very high10 Ų1052.3 Ų52.36%0.06128%0.279CS..EExtended strand (participates in β ladder)trans-125.4126.1-177-47.70000109.2I419 L425 E747T417-I419 HydrophobicContact CG2-CD1 3.87Å; T417-I419 PolarHBondContact O-N 2.96Å; T417-L425 PolarHBondContact N-O 3.29Å; T417-L425 PolarHBondContact O-N 2.71Å; T417-E747 CarbonylContact C-O 3.53Å; T417-E747 WeakPolarHBondContact CA-O 3Å
418K95.6Very high93.6Very high52 Ų5251.6 Ų51.623%0.22628%0.276CS..EExtended strand (participates in β ladder)trans-76.4108.5164.2-172.3-178.5175.8-170.80107.7A420 D421 V745 H746 E747 M749K418-A420 WeakPolarHBondContact CG-O 3.41Å; K418-D421 WeakPolarHBondContact CE-OD1 3.09Å; K418-D421 IonicContact NZ-OD1 2.79Å; K418-D421 PolarHBondContact NZ-OD1 3.08Å; K418-V745 HydrophobicContact CB-CG2 4.34Å; K418-V745 HydrophobicContact CD-CG2 4.14Å; K418-V745 HydrophobicContact CG-CG2 3.94Å; K418-V745 VanDerWaalsContact O-CG2 3.32Å; K418-V745 WeakPolarHBondContact O-CG2 3.43Å; K418-H746 CarbonylContact O-C 3.57Å; K418-H746 VanDerWaalsContact O-CA 3.24Å; K418-H746 WeakPolarHBondContact O-CA 3.15Å; K418-H746 PolarHBondContact O-N 2.82Å; K418-H746 VanDerWaalsContact O-N 3.11Å; K418-E747 HydrophobicContact CB-CB 4.22Å; K418-E747 PolarHBondContact N-O 3.12Å; K418-E747 PolarHBondContact O-N 3.44Å; K418-M749 HydrophobicContact CB-CG 3.9Å; K418-M749 HydrophobicContact CB-SD 3.7Å; K418-M749 HydrophobicContact CG-SD 4.48Å
419I95.6Very high93.9Very high22 Ų2246.4 Ų46.411%0.11325%0.249CC..EExtended strand (participates in β ladder)trans-76.4-43.1178.5-58.5-59.8000109.8T417 L423 L425 L726 Y744 V745 H746T417-I419 HydrophobicContact CG2-CD1 3.87Å; T417-I419 PolarHBondContact O-N 2.96Å; I419-L423 HydrophobicContact CB-CB 4.44Å; I419-L423 HydrophobicContact CB-CD2 4.01Å; I419-L423 HydrophobicContact CB-CG 4.03Å; I419-L423 HydrophobicContact CG2-CD2 3.77Å; I419-L423 HydrophobicContact CG2-CG 4.36Å; I419-L423 PolarHBondContact N-O 3.12Å; I419-L425 HydrophobicContact CD1-CB 4.01Å; I419-L425 HydrophobicContact CD1-CD2 3.97Å; I419-L425 HydrophobicContact CG1-CB 3.73Å; I419-L425 HydrophobicContact CG1-CD2 4.45Å; I419-L726 HydrophobicContact CG1-CD1 4.28Å; I419-Y744 HydrophobicContact CG2-CD1 3.64Å; I419-Y744 HydrophobicContact CG2-CE1 3.9Å; I419-Y744 WeakPolarHBondContact O-CA 3.47Å; I419-V745 PolarHBondContact O-N 3.17Å; I419-H746 PolarHBondContact O-N 3.02Å
420A94.7Very high94.3Very high2 Ų247.1 Ų47.12%0.01725%0.253CS..EExtended strand (participates in β ladder)trans-156.5175.5175.700000109.8K418 G422 L423 F736K418-A420 WeakPolarHBondContact CG-O 3.41Å; A420-G422 PolarHBondContact O-N 3.32Å; A420-L423 HydrophobicContact CB-CB 4.05Å; A420-L423 HydrophobicContact CB-CD2 4.45Å; A420-L423 PolarHBondContact N-O 3.39Å; A420-L423 PolarHBondContact O-N 3.29Å; A420-F736 HydrophobicContact CB-CE1 3.54Å; A420-F736 HydrophobicContact CB-CZ 3.72Å
421D91.4Very high94.5Very high115 Ų11546.9 Ų46.962%0.61525%0.253SS*.THydrogen-bonded Turntrans-58.7125.2172.4-70-33.4000111K418 L423 H731K418-D421 WeakPolarHBondContact CE-OD1 3.09Å; K418-D421 IonicContact NZ-OD1 2.79Å; K418-D421 PolarHBondContact NZ-OD1 3.08Å; D421-L423 PolarHBondContact O-N 3.41Å; D421-H731 PolarHBondContact O-NE2 3.19Å
422G92.3Very high94.7Very high58 Ų5846.7 Ų46.760%0.59824%0.241SC*.THydrogen-bonded Turntrans69.29-174.500000115.5A420 H731A420-G422 PolarHBondContact O-N 3.32Å; G422-H731 VanDerWaalsContact C-CE1 3.45Å; G422-H731 PolarHBondContact O-CE1 3.19Å
423L96Very high94.8Very high14 Ų1441.2 Ų41.27%0.07322%0.22CC..EExtended strand (participates in β ladder)trans-123.1103.8178.5-17162.7000110.8I419 A420 D421 L726 K727 H731 F736I419-L423 HydrophobicContact CB-CB 4.44Å; I419-L423 HydrophobicContact CB-CD2 4.01Å; I419-L423 HydrophobicContact CB-CG 4.03Å; I419-L423 HydrophobicContact CG2-CD2 3.77Å; I419-L423 HydrophobicContact CG2-CG 4.36Å; I419-L423 PolarHBondContact N-O 3.12Å; A420-L423 HydrophobicContact CB-CB 4.05Å; A420-L423 HydrophobicContact CB-CD2 4.45Å; A420-L423 PolarHBondContact N-O 3.39Å; A420-L423 PolarHBondContact O-N 3.29Å; D421-L423 PolarHBondContact O-N 3.41Å; L423-L726 HydrophobicContact CD1-CD1 3.67Å; L423-L726 HydrophobicContact CD1-CD2 4.18Å; L423-L726 HydrophobicContact CD1-CG 3.86Å; L423-L726 HydrophobicContact CG-CD1 3.9Å; L423-K727 WeakPolarHBondContact CA-O 3.49Å; L423-H731 HydrophobicContact CD1-CB 4.15Å; L423-H731 HydrophobicContact CD2-CB 4.14Å; L423-F736 HydrophobicContact CD2-CE2 4.2Å; L423-F736 HydrophobicContact CD2-CZ 3.83Å
424L95.8Very high95.1Very high34 Ų3439.3 Ų39.318%0.17821%0.207CC..EExtended strand (participates in β ladder)trans-116.6127.2-171.2-175.669.5000111.1R416 E426 L726 K727 M749R416-L424 HydrophobicContact CG-CD1 3.95Å; L424-E426 HydrophobicContact CD2-CG 4.35Å; L424-E426 WeakPolarHBondContact CD2-OE1 3.34Å; L424-E426 HydrophobicContact CG-CG 4.36Å; L424-L726 WeakPolarHBondContact O-CA 3.32Å; L424-K727 PolarHBondContact N-O 2.74Å; L424-K727 PolarHBondContact O-N 2.76Å; L424-M749 HydrophobicContact CD1-SD 3.42Å; L424-M749 WeakPolarHBondContact CD1-SD 3.31Å
425L96.7Very high95.3Very high35 Ų3535.4 Ų35.418%0.18319%0.187CC..EExtended strand (participates in β ladder)trans-107.8122.6176.4-177.465.2000110R416 T417 I419 W724 L726R416-L425 CarbonylContact C-O 3.53Å; R416-L425 WeakPolarHBondContact CA-O 3.44Å; T417-L425 PolarHBondContact N-O 3.29Å; T417-L425 PolarHBondContact O-N 2.71Å; I419-L425 HydrophobicContact CD1-CB 4.01Å; I419-L425 HydrophobicContact CD1-CD2 3.97Å; I419-L425 HydrophobicContact CG1-CB 3.73Å; I419-L425 HydrophobicContact CG1-CD2 4.45Å; L425-W724 HydrophobicContact CD1-CB 4.33Å; L425-W724 HydrophobicContact CD1-CE3 3.69Å; L425-W724 HydrophobicContact CD1-CZ3 4.4Å; L425-W724 HydrophobicContact CD2-CE3 3.61Å; L425-W724 HydrophobicContact CD2-CZ3 3.5Å; L425-W724 VanDerWaalsContact CD2-CZ3 3.5Å; L425-W724 HydrophobicContact CG-CE3 3.53Å; L425-W724 HydrophobicContact CG-CZ3 3.76Å; L425-L726 HydrophobicContact CB-CD1 3.96Å; L425-L726 HydrophobicContact CD1-CB 4.03Å; L425-L726 HydrophobicContact CD1-CD1 4.09Å
426E95.7Very high95.4Very high19 Ų1929.7 Ų29.79%0.08917%0.166CC..EExtended strand (participates in β ladder)trans-117.2137.6176.7-72.8169.9163.700109.5R415 R416 L424 I428 W724 I725 K727R415-E426 CarbonylContact O-C 3.35Å; R415-E426 WeakPolarHBondContact O-CA 3.16Å; R416-E426 HydrophobicContact CG-CG 3.95Å; R416-E426 IonicContact CZ-OE1 3.09Å; R416-E426 VanDerWaalsContact CZ-OE1 3.22Å; R416-E426 IonicContact NE-OE1 3.09Å; R416-E426 PolarHBondContact NE-OE1 3.42Å; R416-E426 IonicContact NH2-OE1 2.91Å; R416-E426 PolarHBondContact NH2-OE1 2.95Å; L424-E426 HydrophobicContact CD2-CG 4.35Å; L424-E426 WeakPolarHBondContact CD2-OE1 3.34Å; L424-E426 HydrophobicContact CG-CG 4.36Å; E426-I428 HydrophobicContact CB-CG2 4.46Å; E426-W724 CarbonylContact O-C 3.55Å; E426-W724 WeakPolarHBondContact O-CA 3.41Å; E426-I725 PolarHBondContact N-O 3.37Å; E426-I725 PolarHBondContact O-N 3.32Å; E426-K727 IonicContact OE2-NZ 2.89Å; E426-K727 PolarHBondContact OE2-NZ 3.37Å
427Q96.3Very high95.4Very high32 Ų3225.3 Ų25.315%0.1515%0.149CC..EExtended strand (participates in β ladder)trans-109.7119.9167.4-169.5-178.11900107.6I414 R415 T722 K723 W724I414-Q427 HydrophobicContact CD1-CG 3.92Å; I414-Q427 HydrophobicContact CG1-CB 4.04Å; I414-Q427 HydrophobicContact CG1-CG 3.91Å; I414-Q427 VanDerWaalsContact CG1-O 3.29Å; I414-Q427 WeakPolarHBondContact CG1-O 3.46Å; I414-Q427 PolarHBondContact N-O 3.2Å; R415-Q427 HydrophobicContact CB-CB 3.91Å; R415-Q427 PolarHBondContact N-O 3.39Å; R415-Q427 PolarHBondContact O-N 2.86Å; Q427-T722 HydrophobicContact CG-CG2 4.43Å; Q427-T722 PolarHBondContact NE2-OG1 3.26Å; Q427-K723 WeakPolarHBondContact CA-O 3.41Å; Q427-W724 HydrophobicContact CB-CD2 4.07Å; Q427-W724 HydrophobicContact CB-CE3 3.84Å; Q427-W724 HydrophobicContact CB-CH2 4.27Å; Q427-W724 HydrophobicContact CB-CZ2 4.41Å; Q427-W724 HydrophobicContact CB-CZ3 3.96Å; Q427-W724 HydrophobicContact CG-CD2 4.08Å; Q427-W724 HydrophobicContact CG-CE3 4.36Å; Q427-W724 HydrophobicContact CG-CZ2 4.23Å
428I95.3Very high95.4Very high30 Ų3025.1 Ų25.115%0.15415%0.148CC..EExtended strand (participates in β ladder)trans-119.4155-17665.6160.3000112.2K412 C413 E426 V430 T722 K723 I725K412-I428 CarbonylContact O-C 3.54Å; K412-I428 VanDerWaalsContact O-CA 3.23Å; K412-I428 WeakPolarHBondContact O-CA 3.45Å; C413-I428 HydrophobicContact CB-CG2 4.33Å; E426-I428 HydrophobicContact CB-CG2 4.46Å; I428-V430 HydrophobicContact CD1-CG1 4.18Å; I428-V430 HydrophobicContact CG1-CG1 4.17Å; I428-T722 CarbonylContact O-C 3.55Å; I428-T722 WeakPolarHBondContact O-CA 3.27Å; I428-K723 HydrophobicContact CG1-CB 4.3Å; I428-K723 PolarHBondContact N-O 3.03Å; I428-K723 PolarHBondContact O-N 3.04Å; I428-I725 HydrophobicContact CD1-CD1 3.47Å; I428-I725 VanDerWaalsContact CD1-CD1 3.47Å; I428-I725 HydrophobicContact CG1-CD1 3.87Å; I428-I725 HydrophobicContact CG1-CG1 4.46Å
429T95.7Very high95.2Very high13 Ų1322.8 Ų22.88%0.0814%0.138CC..EExtended strand (participates in β ladder)trans-72.7138171.4570000111.5T409 G411 K412 I414 M720 T721T409-T429 PolarHBondContact O-OG1 3.42Å; G411-T429 WeakPolarHBondContact CA-O 3.36Å; G411-T429 PolarHBondContact N-O 2.66Å; G411-T429 PolarHBondContact N-OG1 2.97Å; K412-T429 HydrophobicContact CB-CG2 4.31Å; K412-T429 PolarHBondContact N-OG1 2.86Å; K412-T429 PolarHBondContact O-N 3.48Å; I414-T429 HydrophobicContact CG2-CG2 4.02Å; T429-M720 HydrophobicContact CG2-CE 4.03Å; T429-T721 CarbonylContact C-O 3.47Å; T429-T721 WeakPolarHBondContact CA-O 3.4Å
430V96.1Very high94.9Very high30 Ų3023.1 Ų23.118%0.18214%0.139CC..EExtended strand (participates in β ladder)trans-141.7155.5178.6-62.90000109.2I428 M720 T721 K723I428-V430 HydrophobicContact CD1-CG1 4.18Å; I428-V430 HydrophobicContact CG1-CG1 4.17Å; V430-M720 CarbonylContact O-C 3.54Å; V430-M720 WeakPolarHBondContact O-CA 3.2Å; V430-M720 WeakPolarHBondContact O-CB 3.15Å; V430-T721 HydrophobicContact CG2-CG2 3.63Å; V430-T721 PolarHBondContact N-O 3.02Å; V430-T721 PolarHBondContact O-N 3.38Å; V430-K723 HydrophobicContact CG1-CB 3.64Å; V430-K723 HydrophobicContact CG1-CD 4.36Å; V430-K723 HydrophobicContact CG2-CB 4.05Å
431P96.4Very high94.5Very high13 Ų1323.2 Ų23.28%0.08414%0.14CC..EExtended strand (participates in β ladder)trans-65.4160.9175.624.3-27.3000111.5Q319 T456 G457 N458Q319-P431 HydrophobicContact CG-CG 3.53Å; P431-T456 VanDerWaalsContact CB-O 3.31Å; P431-T456 WeakPolarHBondContact CB-O 3.47Å; P431-G457 WeakPolarHBondContact CB-O 3.27Å; P431-N458 VanDerWaalsContact CB-OD1 3.3Å; P431-N458 WeakPolarHBondContact CB-OD1 3.35Å
432I95.6Very high94.4Very high39 Ų3920.2 Ų20.220%0.212%0.12CC..  trans-71.6-49.5170.1-65.4172.7000110N458 D514 L515 L719I432-N458 WeakPolarHBondContact CA-OD1 3.25Å; I432-N458 PolarHBondContact N-OD1 3.36Å; I432-D514 HydrophobicContact CG2-CB 3.8Å; I432-L515 HydrophobicContact CD1-CD2 3.97Å; I432-L515 HydrophobicContact CG2-CB 4.26Å; I432-L719 WeakPolarHBondContact CG1-O 3.09Å
433G95.4Very high94.5Very high12 Ų1217.5 Ų17.512%0.1249%0.091CC..  trans144.8-115.2-179.600000112.7N458 A459 D514G433-N458 PolarHBondContact N-OD1 3.34Å; G433-N458 CarbonylContact O-C 3.52Å; G433-N458 VanDerWaalsContact O-CA 3.26Å; G433-N458 WeakPolarHBondContact O-CA 3.41Å; G433-N458 WeakPolarHBondContact O-CB 3.19Å; G433-N458 PolarHBondContact O-OD1 3.37Å; G433-A459 PolarHBondContact O-N 2.81Å; G433-D514 WeakPolarHBondContact CA-OD2 3.46Å
434V96.7Very high94.3Very high1 Ų118.4 Ų18.41%0.00610%0.096CC..EExtended strand (participates in β ladder)trans-102.9126.2176.4-1760000109.7A311 R312 A459 L461 Y512 D514 L515A311-V434 HydrophobicContact CB-CG1 3.95Å; A311-V434 HydrophobicContact CB-CG2 4.38Å; R312-V434 VanDerWaalsContact CA-CG2 3.44Å; R312-V434 HydrophobicContact CB-CG2 3.7Å; R312-V434 HydrophobicContact CG-CG2 4.16Å; V434-A459 WeakPolarHBondContact CA-O 3.17Å; V434-A459 HydrophobicContact CG2-CB 4.37Å; V434-L461 HydrophobicContact CG1-CD1 4.5Å; V434-L461 HydrophobicContact CG1-CG 4.33Å; V434-Y512 WeakPolarHBondContact CB-O 3.35Å; V434-Y512 WeakPolarHBondContact CG2-O 3.41Å; V434-D514 PolarHBondContact N-OD2 3.14Å; V434-D514 PolarHBondContact O-N 2.97Å; V434-L515 PolarHBondContact O-N 3.01Å
435M96.2Very high94.1Very high0 Ų016.9 Ų16.90%09%0.089CC..EExtended strand (participates in β ladder)trans-107.5137.9177.5-56.2-173.7-56.200110.5S453 N458 A459 V460 L461 L515 I517 L719M435-S453 WeakPolarHBondContact CE-OG 3.46Å; M435-N458 HydrophobicContact CE-CB 3.72Å; M435-N458 HydrophobicContact CG-CB 4.24Å; M435-N458 HydrophobicContact SD-CB 4.12Å; M435-A459 PolarHBondContact N-O 3.27Å; M435-V460 HydrophobicContact CB-CG2 4.42Å; M435-V460 CarbonylContact O-C 3.47Å; M435-V460 WeakPolarHBondContact O-CA 3.24Å; M435-L461 PolarHBondContact O-N 3.1Å; M435-L515 CarbonylContact C-O 3.58Å; M435-L515 WeakPolarHBondContact CA-O 3.36Å; M435-L515 HydrophobicContact CG-CB 4.3Å; M435-L515 HydrophobicContact SD-CD2 4.23Å; M435-I517 HydrophobicContact SD-CD1 4.34Å; M435-L719 HydrophobicContact CE-CD1 4.19Å; M435-L719 HydrophobicContact SD-CB 4.46Å; M435-L719 HydrophobicContact SD-CD1 4.39Å; M435-L719 HydrophobicContact SD-CD2 3.84Å; M435-L719 HydrophobicContact SD-CG 4.46Å
436L95.9Very high94.1Very high1 Ų115.2 Ų15.21%0.0058%0.08CC..EExtended strand (participates in β ladder)trans-105.1116.4167.7174.664.6000109.1I438 L461 L506 L507 I513 L515 V516 I517L436-I438 HydrophobicContact CD1-CG1 4.34Å; L436-I438 HydrophobicContact CD2-CD1 4.06Å; L436-I438 HydrophobicContact CD2-CG1 4.39Å; L436-I438 HydrophobicContact CG-CD1 4.28Å; L436-I438 HydrophobicContact CG-CG1 4.08Å; L436-L461 CarbonylContact C-O 3.53Å; L436-L461 WeakPolarHBondContact CA-O 3.39Å; L436-L461 HydrophobicContact CD1-CB 3.79Å; L436-L506 HydrophobicContact CD1-CD1 3.95Å; L436-L506 HydrophobicContact CD2-CB 3.73Å; L436-L506 HydrophobicContact CD2-CD1 4.44Å; L436-L507 HydrophobicContact CD2-CD2 3.96Å; L436-I513 HydrophobicContact CB-CD1 4.24Å; L436-I513 HydrophobicContact CB-CG2 3.78Å; L436-I513 HydrophobicContact CD2-CD1 4.26Å; L436-L515 PolarHBondContact N-O 3.06Å; L436-V516 HydrophobicContact CB-CG2 4.29Å; L436-V516 HydrophobicContact CD2-CG1 4.47Å; L436-V516 HydrophobicContact CD2-CG2 4.26Å; L436-V516 CarbonylContact O-C 3.43Å; L436-V516 VanDerWaalsContact O-CA 3.23Å; L436-V516 WeakPolarHBondContact O-CA 3.43Å; L436-I517 PolarHBondContact O-N 2.9Å
437V95.4Very high94.1Very high0 Ų014.3 Ų14.30%08%0.076CC..EExtended strand (participates in β ladder)trans-112.7121.5177.8-177.90000109.5F439 I449 V460 L461 L462 K463 I517V437-F439 HydrophobicContact CG1-CD1 4.29Å; V437-I449 HydrophobicContact CB-CG2 4.06Å; V437-I449 HydrophobicContact CG1-CD1 3.51Å; V437-I449 HydrophobicContact CG1-CG2 3.97Å; V437-I449 HydrophobicContact CG2-CG2 3.6Å; V437-V460 HydrophobicContact CG2-CG2 3.89Å; V437-L461 PolarHBondContact N-O 3.43Å; V437-L462 HydrophobicContact CB-CD2 4.08Å; V437-L462 HydrophobicContact CG1-CD2 4.46Å; V437-L462 CarbonylContact O-C 3.55Å; V437-L462 WeakPolarHBondContact O-CA 3.47Å; V437-K463 PolarHBondContact O-N 3.15Å; V437-I517 WeakPolarHBondContact CA-O 3.26Å; V437-I517 HydrophobicContact CB-CB 4.49Å; V437-I517 HydrophobicContact CG1-CB 4.33Å; V437-I517 WeakPolarHBondContact CG1-O 3.28Å; V437-I517 HydrophobicContact CG2-CB 3.96Å; V437-I517 HydrophobicContact CG2-CD1 4.13Å; V437-I517 HydrophobicContact CG2-CG1 4.28Å
438I94Very high93.9Very high6 Ų615 Ų153%0.0318%0.078CC..EExtended strand (participates in β ladder)trans-113.5120.4-179.7-54.1167.2000107.7L436 K463 I503 L507 V516 I517 P518 R519 L524 I528L436-I438 HydrophobicContact CD1-CG1 4.34Å; L436-I438 HydrophobicContact CD2-CD1 4.06Å; L436-I438 HydrophobicContact CD2-CG1 4.39Å; L436-I438 HydrophobicContact CG-CD1 4.28Å; L436-I438 HydrophobicContact CG-CG1 4.08Å; I438-K463 CarbonylContact C-O 3.57Å; I438-K463 WeakPolarHBondContact CA-O 3.48Å; I438-K463 HydrophobicContact CB-CB 4.43Å; I438-K463 HydrophobicContact CG1-CB 4.1Å; I438-K463 HydrophobicContact CG2-CB 4.25Å; I438-K463 HydrophobicContact CG2-CG 4.2Å; I438-I503 HydrophobicContact CD1-CG2 3.65Å; I438-I503 HydrophobicContact CG2-CD1 4.25Å; I438-L507 HydrophobicContact CD1-CD2 4.43Å; I438-V516 HydrophobicContact CD1-CG1 4.44Å; I438-I517 PolarHBondContact N-O 3.14Å; I438-P518 CarbonylContact O-C 3.55Å; I438-P518 WeakPolarHBondContact O-CA 3.25Å; I438-R519 PolarHBondContact O-N 3.16Å; I438-L524 HydrophobicContact CG2-CD1 4.13Å; I438-L524 HydrophobicContact CG2-CD2 4.39Å; I438-I528 HydrophobicContact CB-CD1 3.71Å; I438-I528 HydrophobicContact CD1-CD1 3.5Å; I438-I528 HydrophobicContact CD1-CG1 3.95Å; I438-I528 HydrophobicContact CG1-CD1 4.16Å; I438-I528 HydrophobicContact CG2-CD1 3.89Å
439F93Very high93.9Very high3 Ų313.6 Ų13.61%0.0137%0.071CC..EExtended strand (participates in β ladder)trans-137152.1-175.262-84.9000112.6V437 R442 L446 L462 K463 G464 G465 N472 R519V437-F439 HydrophobicContact CG1-CD1 4.29Å; F439-R442 VanDerWaalsContact CD2-O 3.31Å; F439-R442 WeakPolarHBondContact CD2-O 3.34Å; F439-L446 HydrophobicContact CE2-CB 4.36Å; F439-L446 HydrophobicContact CZ-CB 3.88Å; F439-L446 HydrophobicContact CZ-CD1 4.08Å; F439-L446 HydrophobicContact CZ-CG 4.15Å; F439-L462 HydrophobicContact CD1-CD2 4.48Å; F439-L462 HydrophobicContact CE1-CB 4.11Å; F439-L462 HydrophobicContact CE1-CD2 3.9Å; F439-K463 PolarHBondContact N-O 3.27Å; F439-G464 VanDerWaalsContact CZ-CA 3.48Å; F439-G464 CarbonylContact O-C 3.52Å; F439-G464 WeakPolarHBondContact O-CA 3.39Å; F439-G465 PolarHBondContact O-N 2.93Å; F439-N472 WeakPolarHBondContact CE2-OD1 3.31Å; F439-R519 WeakPolarHBondContact CA-O 3.28Å; F439-R519 HydrophobicContact CB-CB 3.89Å; F439-R519 WeakPolarHBondContact CB-O 3.31Å
440E89.2Confident94Very high28 Ų2813 Ų1313%0.1317%0.068CC..SBendtrans-134.6141.8-179.862.5-175.7-159.900112.1F366 R442 R519 S521 L524F366-E440 HydrophobicContact CZ-CG 3.95Å; F366-E440 WeakPolarHBondContact CZ-OE1 3.42Å; E440-R442 PolarHBondContact O-N 2.77Å; E440-R442 VanDerWaalsContact O-N 3.09Å; E440-R519 PolarHBondContact N-O 3.1Å; E440-S521 WeakPolarHBondContact OE1-CA 3.33Å; E440-S521 WeakPolarHBondContact OE1-CB 3.48Å; E440-S521 PolarHBondContact OE1-N 2.89Å; E440-S521 PolarHBondContact OE1-OG 3.38Å; E440-L524 HydrophobicContact CB-CD2 4.43Å; E440-L524 HydrophobicContact CG-CD2 3.88Å
441S85.9Confident94Very high5 Ų511.5 Ų11.54%0.0356%0.059CC..SBendtrans53.428178.4-45.60000113.3R384 M385 E467R384-S441 CarbonylContact C-O 3.49Å; R384-S441 WeakPolarHBondContact CB-O 3.23Å; M385-S441 WeakPolarHBondContact CA-O 3.48Å; M385-S441 PolarHBondContact N-O 2.89Å; M385-S441 VanDerWaalsContact N-O 3.15Å; S441-E467 VanDerWaalsContact CA-OE1 3.25Å; S441-E467 WeakPolarHBondContact CA-OE1 3.41Å; S441-E467 PolarHBondContact N-OE1 2.7Å; S441-E467 PolarHBondContact OG-OE1 3.3Å
442R89.1Confident93.9Very high52 Ų5210.9 Ų10.920%0.1966%0.055CC..  trans-142.270.5-176.6-68.8-156.1-167.4-48.37.2111.9R384 F439 E440 D444 C445R384-R442 VanDerWaalsContact CZ-NH1 3.27Å; R384-R442 VanDerWaalsContact CZ-NH2 3.29Å; F439-R442 VanDerWaalsContact CD2-O 3.31Å; F439-R442 WeakPolarHBondContact CD2-O 3.34Å; E440-R442 PolarHBondContact O-N 2.77Å; E440-R442 VanDerWaalsContact O-N 3.09Å; R442-D444 VanDerWaalsContact C-OD1 3.29Å; R442-D444 WeakPolarHBondContact CA-OD1 3.37Å; R442-D444 WeakPolarHBondContact CB-OD1 3.2Å; R442-D444 PolarHBondContact O-N 2.86Å; R442-C445 HydrophobicContact CB-CB 4.22Å; R442-C445 VanDerWaalsContact CD-SG 3.6Å; R442-C445 WeakPolarHBondContact O-CB 3.1Å; R442-C445 PolarHBondContact O-N 3.03Å
443P93.6Very high93.9Very high0 Ų09 Ų90%05%0.045CC..THydrogen-bonded Turntrans-64.6-24.6177.226-32000112.6M385 L387 C445 L446 P447 A468 L475M385-P443 HydrophobicContact CG-CG 4.44Å; M385-P443 WeakPolarHBondContact O-CG 3.49Å; L387-P443 HydrophobicContact CD1-CG 4.43Å; L387-P443 HydrophobicContact CD2-CG 4.21Å; L387-P443 HydrophobicContact CG-CG 4.19Å; P443-C445 PolarHBondContact O-N 2.69Å; P443-L446 WeakPolarHBondContact O-CB 3.32Å; P443-L446 PolarHBondContact O-N 3.23Å; P443-L446 VanDerWaalsContact O-N 3.16Å; P443-P447 WeakPolarHBondContact O-CD 3.45Å; P443-A468 HydrophobicContact CB-CB 4.21Å; P443-A468 HydrophobicContact CG-CB 4.26Å; P443-L475 HydrophobicContact CB-CD1 4.09Å; P443-L475 VanDerWaalsContact O-CD1 3.31Å; P443-L475 WeakPolarHBondContact O-CD1 3.2Å
444D92.6Very high94Very high33 Ų338.6 Ų8.618%0.1764%0.04CC..THydrogen-bonded Turntrans-61.3-28.8174.560.7-28.6000113.7L387 R442 L446 P447 Q448L387-D444 HydrophobicContact CD2-CB 3.76Å; R442-D444 VanDerWaalsContact C-OD1 3.29Å; R442-D444 WeakPolarHBondContact CA-OD1 3.37Å; R442-D444 WeakPolarHBondContact CB-OD1 3.2Å; R442-D444 PolarHBondContact O-N 2.86Å; D444-L446 VanDerWaalsContact C-N 3.29Å; D444-L446 PolarHBondContact O-N 3.07Å; D444-P447 WeakPolarHBondContact O-CD 3.32Å; D444-Q448 WeakPolarHBondContact O-CG 3.33Å
445C91.4Very high93.9Very high3 Ų38.6 Ų8.62%0.024%0.04CC..Hα-helixtrans-66.9-28.2175.9-74.60000112.8R442 P443 Q448 I449R442-C445 HydrophobicContact CB-CB 4.22Å; R442-C445 VanDerWaalsContact CD-SG 3.6Å; R442-C445 WeakPolarHBondContact O-CB 3.1Å; R442-C445 PolarHBondContact O-N 3.03Å; P443-C445 PolarHBondContact O-N 2.69Å; C445-Q448 PolarHBondContact O-N 3.43Å; C445-I449 HydrophobicContact CB-CD1 3.99Å; C445-I449 VanDerWaalsContact O-CB 3.31Å; C445-I449 WeakPolarHBondContact O-CB 3.4Å; C445-I449 WeakPolarHBondContact O-CG1 3.33Å; C445-I449 PolarHBondContact O-N 3.15Å
446L95.8Very high93.8Very high0 Ų08.6 Ų8.60%04%0.04CC..Hα-helixtrans-57.3-59-176.1-171.5169.6000112F439 P443 D444 Q448 I449 A450 L462 N472 L475 I476 V479 L496F439-L446 HydrophobicContact CE2-CB 4.36Å; F439-L446 HydrophobicContact CZ-CB 3.88Å; F439-L446 HydrophobicContact CZ-CD1 4.08Å; F439-L446 HydrophobicContact CZ-CG 4.15Å; P443-L446 WeakPolarHBondContact O-CB 3.32Å; P443-L446 PolarHBondContact O-N 3.23Å; P443-L446 VanDerWaalsContact O-N 3.16Å; D444-L446 VanDerWaalsContact C-N 3.29Å; D444-L446 PolarHBondContact O-N 3.07Å; L446-Q448 VanDerWaalsContact C-N 3.31Å; L446-Q448 PolarHBondContact O-N 3Å; L446-I449 PolarHBondContact O-N 3.19Å; L446-A450 VanDerWaalsContact O-CB 3.26Å; L446-A450 WeakPolarHBondContact O-CB 3.33Å; L446-A450 PolarHBondContact O-N 3.03Å; L446-L462 HydrophobicContact CD2-CD1 4.07Å; L446-L462 HydrophobicContact CG-CD1 4.06Å; L446-N472 HydrophobicContact CD1-CB 3.99Å; L446-N472 WeakPolarHBondContact CD1-O 3.17Å; L446-L475 HydrophobicContact CD1-CB 4.15Å; L446-L475 HydrophobicContact CD2-CB 4.13Å; L446-I476 HydrophobicContact CD1-CB 4.36Å; L446-I476 HydrophobicContact CD2-CB 4.41Å; L446-I476 HydrophobicContact CD2-CD1 4.25Å; L446-V479 HydrophobicContact CD2-CG2 4.1Å; L446-L496 HydrophobicContact CD1-CD1 4.29Å
447P96.1Very high93.8Very high0 Ų08.5 Ų8.50%04%0.04CC..Hα-helixtrans-64.6-31.1178.822.6-33.1000113.4L337 L395 I399 P443 D444 S451 L475L337-P447 HydrophobicContact CD1-CB 4.39Å; L395-P447 HydrophobicContact CD1-CB 4.2Å; L395-P447 HydrophobicContact CD1-CG 3.81Å; L395-P447 HydrophobicContact CD2-CB 4.02Å; L395-P447 HydrophobicContact CD2-CG 3.34Å; L395-P447 HydrophobicContact CG-CG 4.13Å; I399-P447 HydrophobicContact CD1-CB 4.22Å; P443-P447 WeakPolarHBondContact O-CD 3.45Å; D444-P447 WeakPolarHBondContact O-CD 3.32Å; P447-S451 VanDerWaalsContact O-CB 3.31Å; P447-S451 WeakPolarHBondContact O-CB 3.31Å; P447-S451 PolarHBondContact O-N 2.83Å; P447-S451 PolarHBondContact O-OG 3.21Å; P447-L475 HydrophobicContact CG-CD2 4.37Å
448Q93.4Very high93.9Very high45 Ų458.5 Ų8.521%0.214%0.04CC..Hα-helixtrans-65.1-52.1175.8-64.9-179.52.700111.4L395 D444 C445 L446 S451 L452L395-Q448 HydrophobicContact CD1-CB 4.35Å; L395-Q448 HydrophobicContact CD1-CG 3.16Å; D444-Q448 WeakPolarHBondContact O-CG 3.33Å; C445-Q448 PolarHBondContact O-N 3.43Å; L446-Q448 VanDerWaalsContact C-N 3.31Å; L446-Q448 PolarHBondContact O-N 3Å; Q448-S451 WeakPolarHBondContact O-CB 3.47Å; Q448-S451 PolarHBondContact O-N 2.94Å; Q448-S451 VanDerWaalsContact O-N 3.16Å; Q448-L452 PolarHBondContact O-N 2.76Å
449I94.8Very high94.1Very high1 Ų18.2 Ų8.21%0.0054%0.038CC..Hα-helixtrans-67.4-41.4-177.2-67.3175.8000109.8V437 C445 L446 S451 L452 S453 V460 L462 V701V437-I449 HydrophobicContact CB-CG2 4.06Å; V437-I449 HydrophobicContact CG1-CD1 3.51Å; V437-I449 HydrophobicContact CG1-CG2 3.97Å; V437-I449 HydrophobicContact CG2-CG2 3.6Å; C445-I449 HydrophobicContact CB-CD1 3.99Å; C445-I449 VanDerWaalsContact O-CB 3.31Å; C445-I449 WeakPolarHBondContact O-CB 3.4Å; C445-I449 WeakPolarHBondContact O-CG1 3.33Å; C445-I449 PolarHBondContact O-N 3.15Å; L446-I449 PolarHBondContact O-N 3.19Å; I449-S451 VanDerWaalsContact C-N 3.3Å; I449-S451 PolarHBondContact O-N 2.84Å; I449-L452 PolarHBondContact O-N 2.73Å; I449-S453 VanDerWaalsContact O-CB 3.32Å; I449-S453 WeakPolarHBondContact O-CB 3.36Å; I449-S453 PolarHBondContact O-N 3.08Å; I449-S453 PolarHBondContact O-OG 3.2Å; I449-V460 HydrophobicContact CG2-CG2 4.35Å; I449-L462 HydrophobicContact CB-CD2 4.42Å; I449-L462 HydrophobicContact CG2-CD2 4.03Å; I449-V701 HydrophobicContact CG1-CG1 4.32Å
450A96.9Very high94.2Very high0 Ų08.1 Ų8.10%04%0.038CC..Hα-helixtrans-55.8-47.1171.400000111.1L446 S453 L454 L462 V479L446-A450 VanDerWaalsContact O-CB 3.26Å; L446-A450 WeakPolarHBondContact O-CB 3.33Å; L446-A450 PolarHBondContact O-N 3.03Å; A450-S453 PolarHBondContact O-N 2.73Å; A450-L454 WeakPolarHBondContact O-CB 3.39Å; A450-L454 WeakPolarHBondContact O-CG 3.23Å; A450-L454 PolarHBondContact O-N 3.07Å; A450-L462 HydrophobicContact CB-CD1 4.44Å; A450-V479 HydrophobicContact CB-CG1 3.82Å; A450-V479 HydrophobicContact CB-CG2 3.84Å
451S96Very high94.5Very high0 Ų06.8 Ų6.80%03%0.031CC..Hα-helixtrans-62.3-46.8179.1-60.20000112.7L333 I399 P447 Q448 I449 S453 L454 A455L333-S451 WeakPolarHBondContact CD2-OG 3.26Å; I399-S451 WeakPolarHBondContact CG1-OG 3.25Å; P447-S451 VanDerWaalsContact O-CB 3.31Å; P447-S451 WeakPolarHBondContact O-CB 3.31Å; P447-S451 PolarHBondContact O-N 2.83Å; P447-S451 PolarHBondContact O-OG 3.21Å; Q448-S451 WeakPolarHBondContact O-CB 3.47Å; Q448-S451 PolarHBondContact O-N 2.94Å; Q448-S451 VanDerWaalsContact O-N 3.16Å; I449-S451 VanDerWaalsContact C-N 3.3Å; I449-S451 PolarHBondContact O-N 2.84Å; S451-S453 VanDerWaalsContact C-N 3.35Å; S451-S453 PolarHBondContact O-N 2.98Å; S451-L454 PolarHBondContact O-N 3.44Å; S451-A455 VanDerWaalsContact O-CB 3.24Å; S451-A455 WeakPolarHBondContact O-CB 3.03Å; S451-A455 PolarHBondContact O-N 2.93Å
452L95Very high95Very high0 Ų06.5 Ų6.50%03%0.03CC..Hα-helixtrans-60.3-44.2176.4-73171.8000111.7I402 Q448 I449 T456 A699 V701 M716 L719I402-L452 HydrophobicContact CD1-CD2 3.8Å; I402-L452 HydrophobicContact CD1-CG 3.92Å; I402-L452 HydrophobicContact CG1-CD2 3.98Å; I402-L452 HydrophobicContact CG2-CD2 4.22Å; Q448-L452 PolarHBondContact O-N 2.76Å; I449-L452 PolarHBondContact O-N 2.73Å; L452-T456 WeakPolarHBondContact O-CB 3.3Å; L452-T456 WeakPolarHBondContact O-CG2 3.19Å; L452-T456 PolarHBondContact O-N 3.14Å; L452-T456 PolarHBondContact O-OG1 2.99Å; L452-A699 HydrophobicContact CD1-CB 4.13Å; L452-A699 HydrophobicContact CD2-CB 4.42Å; L452-A699 HydrophobicContact CG-CB 4.41Å; L452-V701 HydrophobicContact CB-CG1 4.33Å; L452-V701 HydrophobicContact CD1-CG1 3.62Å; L452-M716 HydrophobicContact CD2-CG 3.68Å; L452-L719 HydrophobicContact CB-CD1 3.74Å
453S96.3Very high95.1Very high0 Ų05 Ų50%03%0.025CC..Hα-helixtrans-60.3-50.2177.7-52.30000111M435 I449 A450 S451 T456 G457 N458M435-S453 WeakPolarHBondContact CE-OG 3.46Å; I449-S453 VanDerWaalsContact O-CB 3.32Å; I449-S453 WeakPolarHBondContact O-CB 3.36Å; I449-S453 PolarHBondContact O-N 3.08Å; I449-S453 PolarHBondContact O-OG 3.2Å; A450-S453 PolarHBondContact O-N 2.73Å; S451-S453 VanDerWaalsContact C-N 3.35Å; S451-S453 PolarHBondContact O-N 2.98Å; S453-T456 PolarHBondContact O-N 3.28Å; S453-T456 PolarHBondContact O-OG1 3.13Å; S453-G457 PolarHBondContact O-N 3.27Å; S453-G457 VanDerWaalsContact O-N 3.16Å; S453-N458 CarbonylContact C-O 3.51Å; S453-N458 PolarHBondContact O-N 3.05Å; S453-N458 VanDerWaalsContact O-O 3.12Å
454L96Very high94.9Very high3 Ų35.2 Ų5.22%0.0163%0.027CC..Hα-helixtrans-68.4-40.7-176.7-67.3177.5000112.1L318 R326 I329 L330 A450 S451 T456 G457 V479 L483 C493L318-L454 HydrophobicContact CD1-CD2 4.24Å; L318-L454 HydrophobicContact CD2-CD2 3.64Å; R326-L454 WeakPolarHBondContact CD-O 3.29Å; I329-L454 HydrophobicContact CG2-CD1 4.14Å; L330-L454 HydrophobicContact CD1-CB 3.97Å; A450-L454 WeakPolarHBondContact O-CB 3.39Å; A450-L454 WeakPolarHBondContact O-CG 3.23Å; A450-L454 PolarHBondContact O-N 3.07Å; S451-L454 PolarHBondContact O-N 3.44Å; L454-T456 VanDerWaalsContact C-N 3.25Å; L454-T456 PolarHBondContact O-N 2.95Å; L454-G457 PolarHBondContact O-N 3.13Å; L454-V479 HydrophobicContact CD1-CG1 4.15Å; L454-L483 HydrophobicContact CD1-CD1 4.13Å; L454-L483 HydrophobicContact CD1-CD2 3.88Å; L454-L483 HydrophobicContact CD1-CG 4.02Å; L454-L483 HydrophobicContact CD2-CD1 4.32Å; L454-L483 HydrophobicContact CD2-CD2 3.77Å; L454-L483 HydrophobicContact CG-CD2 4.44Å; L454-C493 HydrophobicContact CD2-CB 3.99Å
455A95.2Very high94.6Very high0 Ų04.3 Ų4.30%03%0.025CC..Hα-helixtrans-58.5-38.9175.500000112.5L330 I402 A406 S451 G457 M716L330-A455 HydrophobicContact CD2-CB 3.85Å; I402-A455 HydrophobicContact CG2-CB 3.61Å; A406-A455 HydrophobicContact CB-CB 3.79Å; S451-A455 VanDerWaalsContact O-CB 3.24Å; S451-A455 WeakPolarHBondContact O-CB 3.03Å; S451-A455 PolarHBondContact O-N 2.93Å; A455-G457 VanDerWaalsContact C-N 3.32Å; A455-M716 HydrophobicContact CB-SD 4.1Å
456T95.4Very high94.2Very high0 Ų08.2 Ų8.20%05%0.052CC..THydrogen-bonded Turntrans-87.5-0.7-177.951.90000113.3L410 P431 L452 S453 L454 N458 M716 L719 M720L410-T456 VanDerWaalsContact CD1-O 3.31Å; L410-T456 WeakPolarHBondContact CD1-O 3.28Å; P431-T456 VanDerWaalsContact CB-O 3.31Å; P431-T456 WeakPolarHBondContact CB-O 3.47Å; L452-T456 WeakPolarHBondContact O-CB 3.3Å; L452-T456 WeakPolarHBondContact O-CG2 3.19Å; L452-T456 PolarHBondContact O-N 3.14Å; L452-T456 PolarHBondContact O-OG1 2.99Å; S453-T456 PolarHBondContact O-N 3.28Å; S453-T456 PolarHBondContact O-OG1 3.13Å; L454-T456 VanDerWaalsContact C-N 3.25Å; L454-T456 PolarHBondContact O-N 2.95Å; T456-N458 WeakPolarHBondContact CB-ND2 3.49Å; T456-N458 PolarHBondContact OG1-ND2 2.93Å; T456-M716 HydrophobicContact CG2-CB 3.61Å; T456-M716 HydrophobicContact CG2-CG 3.91Å; T456-M716 WeakPolarHBondContact CG2-O 3.33Å; T456-L719 HydrophobicContact CG2-CB 4.16Å; T456-M720 HydrophobicContact CG2-CG 3.87Å; T456-M720 HydrophobicContact CG2-SD 4.32Å
457G95.6Very high93.6Very high0 Ų09.4 Ų9.40%06%0.058CC..THydrogen-bonded Turntrans79.117.3178.300000114.3P431 S453 L454 A455P431-G457 WeakPolarHBondContact CB-O 3.27Å; S453-G457 PolarHBondContact O-N 3.27Å; S453-G457 VanDerWaalsContact O-N 3.16Å; L454-G457 PolarHBondContact O-N 3.13Å; A455-G457 VanDerWaalsContact C-N 3.32Å
458N97Very high93.3Very high0 Ų09.4 Ų9.40%06%0.058CC..  trans-91.5142.7175.2-63.5-69.6000110.8P431 I432 G433 M435 S453 T456 L719P431-N458 VanDerWaalsContact CB-OD1 3.3Å; P431-N458 WeakPolarHBondContact CB-OD1 3.35Å; I432-N458 WeakPolarHBondContact CA-OD1 3.25Å; I432-N458 PolarHBondContact N-OD1 3.36Å; G433-N458 PolarHBondContact N-OD1 3.34Å; G433-N458 CarbonylContact O-C 3.52Å; G433-N458 VanDerWaalsContact O-CA 3.26Å; G433-N458 WeakPolarHBondContact O-CA 3.41Å; G433-N458 WeakPolarHBondContact O-CB 3.19Å; G433-N458 PolarHBondContact O-OD1 3.37Å; M435-N458 HydrophobicContact CE-CB 3.72Å; M435-N458 HydrophobicContact CG-CB 4.24Å; M435-N458 HydrophobicContact SD-CB 4.12Å; S453-N458 CarbonylContact C-O 3.51Å; S453-N458 PolarHBondContact O-N 3.05Å; S453-N458 VanDerWaalsContact O-O 3.12Å; T456-N458 WeakPolarHBondContact CB-ND2 3.49Å; T456-N458 PolarHBondContact OG1-ND2 2.93Å; N458-L719 PolarHBondContact ND2-O 3.48Å
459A97.3Very high93.1Very high0 Ų011.9 Ų11.90%07%0.07CC..EExtended strand (participates in β ladder)trans-84154.2163.900000109.6A311 G433 V434 M435 C493A311-A459 HydrophobicContact CB-CB 4.07Å; A311-A459 WeakPolarHBondContact O-CB 3.42Å; G433-A459 PolarHBondContact O-N 2.81Å; V434-A459 WeakPolarHBondContact CA-O 3.17Å; V434-A459 HydrophobicContact CG2-CB 4.37Å; M435-A459 PolarHBondContact N-O 3.27Å; A459-C493 CarbonylContact C-O 3.51Å; A459-C493 VanDerWaalsContact CA-O 3.31Å; A459-C493 WeakPolarHBondContact CA-O 3.33Å
460V96.7Very high92.8Very high0 Ų013.8 Ų13.80%08%0.08CC..EExtended strand (participates in β ladder)trans-136.4128.5-175.570.60000112.6M435 V437 I449 L462 C493 A494 H495M435-V460 HydrophobicContact CB-CG2 4.42Å; M435-V460 CarbonylContact O-C 3.47Å; M435-V460 WeakPolarHBondContact O-CA 3.24Å; V437-V460 HydrophobicContact CG2-CG2 3.89Å; I449-V460 HydrophobicContact CG2-CG2 4.35Å; V460-L462 HydrophobicContact CG1-CD1 3.95Å; V460-L462 HydrophobicContact CG1-CG 4.22Å; V460-L462 HydrophobicContact CG2-CD2 4.1Å; V460-L462 HydrophobicContact CG2-CG 3.95Å; V460-C493 PolarHBondContact N-O 2.77Å; V460-A494 HydrophobicContact CG1-CB 3.93Å; V460-A494 WeakPolarHBondContact O-CA 3.44Å; V460-H495 PolarHBondContact O-N 2.83Å
461L95.1Very high92.8Very high0 Ų013.9 Ų13.90%08%0.08CC..EExtended strand (participates in β ladder)trans-98.3122.6164.1-59.2-180000107.5Q307 A308 A311 V434 M435 L436 V437 H495 V497 L506 I513Q307-L461 HydrophobicContact CB-CD2 4.36Å; A308-L461 HydrophobicContact CB-CD1 4.04Å; A311-L461 HydrophobicContact CB-CD2 3.94Å; A311-L461 HydrophobicContact CB-CG 4.39Å; V434-L461 HydrophobicContact CG1-CD1 4.5Å; V434-L461 HydrophobicContact CG1-CG 4.33Å; M435-L461 PolarHBondContact O-N 3.1Å; L436-L461 CarbonylContact C-O 3.53Å; L436-L461 WeakPolarHBondContact CA-O 3.39Å; L436-L461 HydrophobicContact CD1-CB 3.79Å; V437-L461 PolarHBondContact N-O 3.43Å; L461-H495 HydrophobicContact CD2-CB 3.92Å; L461-V497 HydrophobicContact CB-CG2 4.14Å; L461-L506 HydrophobicContact CD1-CD2 3.81Å; L461-I513 HydrophobicContact CD1-CD1 4.06Å; L461-I513 HydrophobicContact CD1-CG1 4.41Å
462L95.1Very high92.7Very high0 Ų014 Ų140%08%0.081CC..EExtended strand (participates in β ladder)trans-111.1125.6-174.9-72.2153.4000108.3V437 F439 L446 I449 A450 V460 I476 H495 L496 V497V437-L462 HydrophobicContact CB-CD2 4.08Å; V437-L462 HydrophobicContact CG1-CD2 4.46Å; V437-L462 CarbonylContact O-C 3.55Å; V437-L462 WeakPolarHBondContact O-CA 3.47Å; F439-L462 HydrophobicContact CD1-CD2 4.48Å; F439-L462 HydrophobicContact CE1-CB 4.11Å; F439-L462 HydrophobicContact CE1-CD2 3.9Å; L446-L462 HydrophobicContact CD2-CD1 4.07Å; L446-L462 HydrophobicContact CG-CD1 4.06Å; I449-L462 HydrophobicContact CB-CD2 4.42Å; I449-L462 HydrophobicContact CG2-CD2 4.03Å; A450-L462 HydrophobicContact CB-CD1 4.44Å; V460-L462 HydrophobicContact CG1-CD1 3.95Å; V460-L462 HydrophobicContact CG1-CG 4.22Å; V460-L462 HydrophobicContact CG2-CD2 4.1Å; V460-L462 HydrophobicContact CG2-CG 3.95Å; L462-I476 HydrophobicContact CD1-CD1 3.76Å; L462-H495 WeakPolarHBondContact CB-O 3.4Å; L462-H495 PolarHBondContact N-O 2.82Å; L462-L496 HydrophobicContact CB-CD1 4.39Å; L462-L496 CarbonylContact O-C 3.15Å; L462-L496 VanDerWaalsContact O-CA 3.29Å; L462-L496 WeakPolarHBondContact O-CA 3.17Å; L462-L496 WeakPolarHBondContact O-CD1 3.43Å; L462-V497 PolarHBondContact O-N 3.1Å
463K91.8Very high92.6Very high20 Ų2016.9 Ų16.99%0.08710%0.099CC..EExtended strand (participates in β ladder)trans-118.3102.5171.3179.264.3-172.1118.70109.4V437 I438 F439 V497 S498 R499 I503V437-K463 PolarHBondContact O-N 3.15Å; I438-K463 CarbonylContact C-O 3.57Å; I438-K463 WeakPolarHBondContact CA-O 3.48Å; I438-K463 HydrophobicContact CB-CB 4.43Å; I438-K463 HydrophobicContact CG1-CB 4.1Å; I438-K463 HydrophobicContact CG2-CB 4.25Å; I438-K463 HydrophobicContact CG2-CG 4.2Å; F439-K463 PolarHBondContact N-O 3.27Å; K463-V497 HydrophobicContact CB-CB 4.29Å; K463-V497 HydrophobicContact CD-CB 4.02Å; K463-V497 HydrophobicContact CD-CG1 4.15Å; K463-V497 WeakPolarHBondContact CD-O 3.24Å; K463-S498 PolarHBondContact NZ-O 2.87Å; K463-S498 VanDerWaalsContact NZ-O 3.07Å; K463-R499 VanDerWaalsContact CE-O 3.28Å; K463-R499 WeakPolarHBondContact CE-O 3.37Å; K463-I503 HydrophobicContact CD-CG1 4.49Å; K463-I503 HydrophobicContact CG-CD1 3.86Å; K463-I503 HydrophobicContact CG-CG1 3.94Å
464G89.6Confident92.6Very high5 Ų519.2 Ų19.25%0.05211%0.108CC..EExtended strand (participates in β ladder)trans-84155.8171.600000112.8F439F439-G464 VanDerWaalsContact CZ-CA 3.48Å; F439-G464 CarbonylContact O-C 3.52Å; F439-G464 WeakPolarHBondContact O-CA 3.39Å
465G86.2Confident92.7Very high14 Ų1419.2 Ų19.214%0.14411%0.108CC..  trans-60148.4168.400000112.2F439 E467 A468 N472F439-G465 PolarHBondContact O-N 2.93Å; G465-E467 WeakPolarHBondContact CA-OE1 3.46Å; G465-E467 WeakPolarHBondContact CA-OE2 3.39Å; G465-E467 PolarHBondContact O-N 3.27Å; G465-A468 PolarHBondContact O-N 3.13Å; G465-N472 PolarHBondContact O-ND2 3.41Å
466S83Confident92.8Very high84 Ų8419.7 Ų19.759%0.58711%0.11SC*.G310 helixtrans-68.3-21.2-177.2460000113.5A468 H469S466-A468 PolarHBondContact O-N 2.7Å; S466-H469 PolarHBondContact O-N 3.19Å
467E83.4Confident92.8Very high25 Ų2521.9 Ų21.912%0.11713%0.126CC..G310 helixtrans-66.9-21.6176.770-71.817100113.6D351 M385 S441 G465D351-E467 WeakPolarHBondContact CB-O 3.26Å; M385-E467 HydrophobicContact SD-CB 3.97Å; M385-E467 HydrophobicContact SD-CG 3.66Å; S441-E467 VanDerWaalsContact CA-OE1 3.25Å; S441-E467 WeakPolarHBondContact CA-OE1 3.41Å; S441-E467 PolarHBondContact N-OE1 2.7Å; S441-E467 PolarHBondContact OG-OE1 3.3Å; G465-E467 WeakPolarHBondContact CA-OE1 3.46Å; G465-E467 WeakPolarHBondContact CA-OE2 3.39Å; G465-E467 PolarHBondContact O-N 3.27Å
468A88.9Confident93Very high1 Ų122 Ų221%0.00813%0.126CC..G310 helixtrans-117.435.1179.200000111.5D351 M385 P443 G465 S466 N470 N472D351-A468 WeakPolarHBondContact OD2-CA 3.25Å; M385-A468 HydrophobicContact CG-CB 4.03Å; M385-A468 HydrophobicContact SD-CB 4.19Å; P443-A468 HydrophobicContact CB-CB 4.21Å; P443-A468 HydrophobicContact CG-CB 4.26Å; G465-A468 PolarHBondContact O-N 3.13Å; S466-A468 PolarHBondContact O-N 2.7Å; A468-N470 PolarHBondContact O-N 2.81Å; A468-N472 VanDerWaalsContact O-CB 3.25Å; A468-N472 WeakPolarHBondContact O-CB 3.49Å; A468-N472 PolarHBondContact O-N 3.26Å; A468-N472 PolarHBondContact O-ND2 3.38Å
469H89.3Confident93Very high96 Ų9622 Ų2244%0.44413%0.127SC..Hα-helixtrans-61.3-45.8-171.1178.867.5000112.6D351 S466 N472 T473D351-H469 PolarHBondContact OD1-N 3.19Å; S466-H469 PolarHBondContact O-N 3.19Å; H469-N472 PolarHBondContact O-N 3.37Å; H469-T473 VanDerWaalsContact O-CB 3.3Å; H469-T473 WeakPolarHBondContact O-CB 3.45Å; H469-T473 PolarHBondContact O-N 2.83Å; H469-T473 PolarHBondContact O-OG1 2.82Å
470N90.2Very high93Very high42 Ų4223.4 Ų23.423%0.22513%0.133CC..Hα-helixtrans-67.5-46.5-177.4-60-69.2000110.3E347 D351 A468 N472 T473 Y474E347-N470 HydrophobicContact CB-CB 4.27Å; E347-N470 WeakPolarHBondContact OE2-CB 3.45Å; D351-N470 WeakPolarHBondContact OD1-CB 3.46Å; D351-N470 PolarHBondContact OD1-N 2.62Å; D351-N470 PolarHBondContact OD1-ND2 3.09Å; D351-N470 PolarHBondContact OD2-N 3.26Å; A468-N470 PolarHBondContact O-N 2.81Å; N470-N472 PolarHBondContact O-N 2.73Å; N470-T473 PolarHBondContact O-N 2.85Å; N470-Y474 WeakPolarHBondContact O-CB 3.3Å; N470-Y474 PolarHBondContact O-N 3.06Å
471S95.4Very high93Very high1 Ų127.1 Ų27.11%0.00715%0.15CC..Hα-helixtrans-54.8-51.7174.3-56.30000111.4N348 D351 T473 Y474 L475N348-S471 VanDerWaalsContact CA-OG 3.24Å; N348-S471 WeakPolarHBondContact CA-OG 3.27Å; N348-S471 WeakPolarHBondContact CB-OG 3.39Å; N348-S471 PolarHBondContact ND2-OG 3.42Å; D351-S471 WeakPolarHBondContact OD2-CB 3.43Å; D351-S471 PolarHBondContact OD2-N 3.2Å; D351-S471 PolarHBondContact OD2-OG 2.97Å; S471-T473 PolarHBondContact O-N 3Å; S471-Y474 PolarHBondContact O-N 3.02Å; S471-L475 VanDerWaalsContact O-CB 3.27Å; S471-L475 WeakPolarHBondContact O-CB 3.26Å; S471-L475 WeakPolarHBondContact O-CD1 2.85Å; S471-L475 WeakPolarHBondContact O-CG 3.44Å; S471-L475 PolarHBondContact O-N 2.92Å
472N94.6Very high93.1Very high3 Ų327.1 Ų27.12%0.01615%0.151CC..Hα-helixtrans-64.7-41.1-176.8-71.4-34.3000111.7F439 L446 G465 A468 H469 N470 I476 L496F439-N472 WeakPolarHBondContact CE2-OD1 3.31Å; L446-N472 HydrophobicContact CD1-CB 3.99Å; L446-N472 WeakPolarHBondContact CD1-O 3.17Å; G465-N472 PolarHBondContact O-ND2 3.41Å; A468-N472 VanDerWaalsContact O-CB 3.25Å; A468-N472 WeakPolarHBondContact O-CB 3.49Å; A468-N472 PolarHBondContact O-N 3.26Å; A468-N472 PolarHBondContact O-ND2 3.38Å; H469-N472 PolarHBondContact O-N 3.37Å; N470-N472 PolarHBondContact O-N 2.73Å; N472-I476 WeakPolarHBondContact O-CG2 3.44Å; N472-I476 PolarHBondContact O-N 2.61Å; N472-L496 HydrophobicContact CB-CD1 4.02Å; N472-L496 HydrophobicContact CB-CD2 3.91Å
473T92.7Very high93.2Very high61 Ų6127.1 Ų27.137%0.37415%0.151SC..Hα-helixtrans-65.8-41.7178.9-59.10000111.5H469 N470 S471 I476 S477H469-T473 VanDerWaalsContact O-CB 3.3Å; H469-T473 WeakPolarHBondContact O-CB 3.45Å; H469-T473 PolarHBondContact O-N 2.83Å; H469-T473 PolarHBondContact O-OG1 2.82Å; N470-T473 PolarHBondContact O-N 2.85Å; S471-T473 PolarHBondContact O-N 3Å; T473-I476 VanDerWaalsContact O-CG2 3.24Å; T473-I476 WeakPolarHBondContact O-CG2 3.45Å; T473-S477 PolarHBondContact O-N 3.13Å
474Y96.8Very high93.3Very high48 Ų4828.3 Ų28.319%0.18816%0.161CC..Hα-helixtrans-69.7-46.2176.8-162.5-100.6000111.5R340 E343 I344 E347 N470 S471 I476 S477 L478R340-Y474 HydrophobicContact CB-CE1 4.21Å; E343-Y474 HydrophobicContact CB-CE1 3.71Å; E343-Y474 HydrophobicContact CB-CE2 4.26Å; E343-Y474 VanDerWaalsContact CB-CZ 3.45Å; E343-Y474 WeakPolarHBondContact CB-OH 3.13Å; I344-Y474 HydrophobicContact CG1-CD1 3.8Å; I344-Y474 HydrophobicContact CG1-CE1 3.81Å; E347-Y474 HydrophobicContact CG-CD2 4.06Å; E347-Y474 HydrophobicContact CG-CG 3.91Å; N470-Y474 WeakPolarHBondContact O-CB 3.3Å; N470-Y474 PolarHBondContact O-N 3.06Å; S471-Y474 PolarHBondContact O-N 3.02Å; Y474-I476 PolarHBondContact O-N 2.63Å; Y474-S477 WeakPolarHBondContact O-CB 3.48Å; Y474-S477 PolarHBondContact O-N 3.49Å; Y474-S477 VanDerWaalsContact O-N 3.09Å; Y474-S477 PolarHBondContact O-OG 3.37Å; Y474-L478 HydrophobicContact CD1-CD1 4.31Å; Y474-L478 HydrophobicContact CD1-CG 4.5Å; Y474-L478 HydrophobicContact CE1-CD1 4.11Å; Y474-L478 HydrophobicContact CE1-CD2 4.26Å; Y474-L478 HydrophobicContact CE1-CG 4.34Å; Y474-L478 PolarHBondContact O-N 2.91Å
475L97.6Very high93.4Very high3 Ų333.8 Ų33.82%0.01619%0.185CC..Hα-helixtrans-63-41.2-179.6-72.2169.2000112.8L337 I344 L387 P443 L446 P447 S471 S477 L478 V479L337-L475 HydrophobicContact CD2-CD2 3.95Å; I344-L475 HydrophobicContact CD1-CD2 4.35Å; I344-L475 HydrophobicContact CG1-CD2 4.29Å; I344-L475 HydrophobicContact CG2-CD2 4.1Å; L387-L475 HydrophobicContact CD1-CD1 4.28Å; P443-L475 HydrophobicContact CB-CD1 4.09Å; P443-L475 VanDerWaalsContact O-CD1 3.31Å; P443-L475 WeakPolarHBondContact O-CD1 3.2Å; L446-L475 HydrophobicContact CD1-CB 4.15Å; L446-L475 HydrophobicContact CD2-CB 4.13Å; P447-L475 HydrophobicContact CG-CD2 4.37Å; S471-L475 VanDerWaalsContact O-CB 3.27Å; S471-L475 WeakPolarHBondContact O-CB 3.26Å; S471-L475 WeakPolarHBondContact O-CD1 2.85Å; S471-L475 WeakPolarHBondContact O-CG 3.44Å; S471-L475 PolarHBondContact O-N 2.92Å; L475-S477 VanDerWaalsContact C-N 3.25Å; L475-S477 PolarHBondContact O-N 3.02Å; L475-L478 PolarHBondContact O-N 3.3Å; L475-V479 WeakPolarHBondContact O-CG2 3.27Å; L475-V479 PolarHBondContact O-N 3.25Å
476I96.6Very high93.7Very high10 Ų1035.6 Ų35.65%0.05119%0.191CC..Hα-helixtrans-64.6-33.1175.5-167.364.1000111.5L446 L462 N472 T473 Y474 L478 V479 Q480 A494 L496L446-I476 HydrophobicContact CD1-CB 4.36Å; L446-I476 HydrophobicContact CD2-CB 4.41Å; L446-I476 HydrophobicContact CD2-CD1 4.25Å; L462-I476 HydrophobicContact CD1-CD1 3.76Å; N472-I476 WeakPolarHBondContact O-CG2 3.44Å; N472-I476 PolarHBondContact O-N 2.61Å; T473-I476 VanDerWaalsContact O-CG2 3.24Å; T473-I476 WeakPolarHBondContact O-CG2 3.45Å; Y474-I476 PolarHBondContact O-N 2.63Å; I476-L478 VanDerWaalsContact C-N 3.29Å; I476-L478 PolarHBondContact O-N 2.8Å; I476-V479 HydrophobicContact CD1-CB 4.33Å; I476-V479 PolarHBondContact O-N 2.88Å; I476-Q480 HydrophobicContact CG1-CG 4.45Å; I476-Q480 WeakPolarHBondContact O-CB 3.49Å; I476-Q480 WeakPolarHBondContact O-CG 2.78Å; I476-Q480 PolarHBondContact O-N 2.99Å; I476-A494 HydrophobicContact CD1-CB 4.05Å; I476-L496 HydrophobicContact CB-CB 4.09Å; I476-L496 HydrophobicContact CG1-CB 4.02Å; I476-L496 HydrophobicContact CG2-CB 3.79Å; I476-L496 HydrophobicContact CG2-CD2 4.17Å
477S96.6Very high94.1Very high47 Ų4733.5 Ų33.533%0.32918%0.176SC..Hα-helixtrans-63.1-3717783.30000111.9T473 Y474 L475 Q480 E481T473-S477 PolarHBondContact O-N 3.13Å; Y474-S477 WeakPolarHBondContact O-CB 3.48Å; Y474-S477 PolarHBondContact O-N 3.49Å; Y474-S477 VanDerWaalsContact O-N 3.09Å; Y474-S477 PolarHBondContact O-OG 3.37Å; L475-S477 VanDerWaalsContact C-N 3.25Å; L475-S477 PolarHBondContact O-N 3.02Å; S477-Q480 PolarHBondContact O-N 3.38Å; S477-E481 WeakPolarHBondContact O-CB 3.49Å; S477-E481 PolarHBondContact O-N 3.31Å
478L98.3Very high94.3Very high2 Ų237 Ų371%0.0120%0.201CC..Hα-helixtrans-69.1-39.1175.5-57.7-177.9000112.1L333 L336 L337 R340 I344 Y474 L475 I476 Q480 E481 A482L333-L478 HydrophobicContact CD1-CB 4.19Å; L336-L478 WeakPolarHBondContact CD1-O 3.14Å; L337-L478 HydrophobicContact CD2-CD1 4.18Å; R340-L478 HydrophobicContact CB-CD1 4.31Å; R340-L478 HydrophobicContact CB-CD2 4.32Å; R340-L478 HydrophobicContact CG-CD2 3.96Å; I344-L478 HydrophobicContact CD1-CD1 3.69Å; I344-L478 HydrophobicContact CG1-CD1 3.91Å; Y474-L478 HydrophobicContact CD1-CD1 4.31Å; Y474-L478 HydrophobicContact CD1-CG 4.5Å; Y474-L478 HydrophobicContact CE1-CD1 4.11Å; Y474-L478 HydrophobicContact CE1-CD2 4.26Å; Y474-L478 HydrophobicContact CE1-CG 4.34Å; Y474-L478 PolarHBondContact O-N 2.91Å; L475-L478 PolarHBondContact O-N 3.3Å; I476-L478 VanDerWaalsContact C-N 3.29Å; I476-L478 PolarHBondContact O-N 2.8Å; L478-Q480 VanDerWaalsContact C-N 3.31Å; L478-E481 PolarHBondContact O-N 3.36Å; L478-A482 WeakPolarHBondContact O-CB 3.48Å; L478-A482 PolarHBondContact O-N 3.16Å
479V98.1Very high94.3Very high1 Ų143.8 Ų43.81%0.00623%0.23CC..Hα-helixtrans-60.8-44.8173.2175.10000110.3L333 L446 A450 L454 L475 I476 A482 L483 A494L333-V479 HydrophobicContact CD1-CG2 4.03Å; L333-V479 HydrophobicContact CD2-CG2 3.98Å; L446-V479 HydrophobicContact CD2-CG2 4.1Å; A450-V479 HydrophobicContact CB-CG1 3.82Å; A450-V479 HydrophobicContact CB-CG2 3.84Å; L454-V479 HydrophobicContact CD1-CG1 4.15Å; L475-V479 WeakPolarHBondContact O-CG2 3.27Å; L475-V479 PolarHBondContact O-N 3.25Å; I476-V479 HydrophobicContact CD1-CB 4.33Å; I476-V479 PolarHBondContact O-N 2.88Å; V479-A482 PolarHBondContact O-N 3.03Å; V479-L483 HydrophobicContact CG1-CD1 4.21Å; V479-L483 WeakPolarHBondContact O-CG 3.21Å; V479-L483 PolarHBondContact O-N 3.25Å; V479-A494 HydrophobicContact CG1-CB 3.67Å
480Q96.9Very high94.4Very high29 Ų2939.5 Ų39.514%0.13621%0.21CC..Hα-helixtrans-66.1-39.7177.9-75.7-177.8-8.700112.2I476 S477 L478 L483 C484 K491 A494I476-Q480 HydrophobicContact CG1-CG 4.45Å; I476-Q480 WeakPolarHBondContact O-CB 3.49Å; I476-Q480 WeakPolarHBondContact O-CG 2.78Å; I476-Q480 PolarHBondContact O-N 2.99Å; S477-Q480 PolarHBondContact O-N 3.38Å; L478-Q480 VanDerWaalsContact C-N 3.31Å; Q480-L483 PolarHBondContact O-N 2.75Å; Q480-C484 WeakPolarHBondContact O-CB 3.42Å; Q480-C484 PolarHBondContact O-N 3.23Å; Q480-C484 PolarHBondContact O-SG 2.93Å; Q480-K491 HydrophobicContact CB-CG 3.96Å; Q480-K491 HydrophobicContact CG-CG 3.9Å; Q480-A494 PolarHBondContact NE2-O 3.02Å
481E97.3Very high94.4Very high77 Ų7741.6 Ų41.636%0.3622%0.218SC..Hα-helixtrans-61.3-44.6173.4-173.8-179.3153.700111.1R332 L336 S477 L478 L483 C484 H485R332-E481 IonicContact NH2-OE1 2.69Å; L336-E481 HydrophobicContact CD1-CB 3.97Å; L336-E481 HydrophobicContact CD1-CG 4Å; L336-E481 VanDerWaalsContact CD2-OE1 3.31Å; L336-E481 WeakPolarHBondContact CD2-OE1 3.39Å; S477-E481 WeakPolarHBondContact O-CB 3.49Å; S477-E481 PolarHBondContact O-N 3.31Å; L478-E481 PolarHBondContact O-N 3.36Å; E481-L483 VanDerWaalsContact C-N 3.33Å; E481-L483 PolarHBondContact O-N 3.28Å; E481-C484 PolarHBondContact O-N 2.92Å; E481-H485 PolarHBondContact O-N 3.25Å; E481-H485 VanDerWaalsContact O-N 3.15Å
482A97.9Very high94Very high1 Ų144.3 Ų44.31%0.00823%0.23CC..Hα-helixtrans-60.9-39.5175.600000112.5I329 R332 L333 L336 L478 V479 H485I329-A482 HydrophobicContact CG2-CB 4.18Å; R332-A482 HydrophobicContact CB-CB 4.36Å; R332-A482 HydrophobicContact CG-CB 4.25Å; L333-A482 HydrophobicContact CB-CB 3.89Å; L336-A482 HydrophobicContact CD1-CB 4.07Å; L478-A482 WeakPolarHBondContact O-CB 3.48Å; L478-A482 PolarHBondContact O-N 3.16Å; V479-A482 PolarHBondContact O-N 3.03Å; A482-H485 WeakPolarHBondContact O-CB 3.34Å; A482-H485 PolarHBondContact O-N 3.34Å
483L96.5Very high94Very high0 Ų044.2 Ų44.20%023%0.23CC..Hα-helixtrans-65.4-41.5173.9-77.4162000112.2L318 I329 L454 V479 Q480 E481 H485 I486 S487 L490 C493 A494L318-L483 HydrophobicContact CD1-CD2 4.45Å; I329-L483 HydrophobicContact CD1-CD2 4.06Å; I329-L483 HydrophobicContact CG2-CD2 4.07Å; I329-L483 HydrophobicContact CG2-CG 4.23Å; L454-L483 HydrophobicContact CD1-CD1 4.13Å; L454-L483 HydrophobicContact CD1-CD2 3.88Å; L454-L483 HydrophobicContact CD1-CG 4.02Å; L454-L483 HydrophobicContact CD2-CD1 4.32Å; L454-L483 HydrophobicContact CD2-CD2 3.77Å; L454-L483 HydrophobicContact CG-CD2 4.44Å; V479-L483 HydrophobicContact CG1-CD1 4.21Å; V479-L483 WeakPolarHBondContact O-CG 3.21Å; V479-L483 PolarHBondContact O-N 3.25Å; Q480-L483 PolarHBondContact O-N 2.75Å; E481-L483 VanDerWaalsContact C-N 3.33Å; E481-L483 PolarHBondContact O-N 3.28Å; L483-H485 PolarHBondContact O-N 3.48Å; L483-I486 PolarHBondContact O-N 3.03Å; L483-S487 PolarHBondContact O-N 3.46Å; L483-L490 HydrophobicContact CB-CB 4.25Å; L483-L490 HydrophobicContact CD2-CB 4.19Å; L483-C493 HydrophobicContact CD1-CB 4.12Å; L483-C493 HydrophobicContact CD2-CB 4.29Å; L483-A494 HydrophobicContact CD1-CB 3.94Å
484C94.6Very high94.1Very high45 Ų4541.3 Ų41.330%0.30421%0.212SC..Hα-helixtrans-63.8-22.7179.1-68.90000113Q480 E481 I486 S487Q480-C484 WeakPolarHBondContact O-CB 3.42Å; Q480-C484 PolarHBondContact O-N 3.23Å; Q480-C484 PolarHBondContact O-SG 2.93Å; E481-C484 PolarHBondContact O-N 2.92Å; C484-I486 PolarHBondContact O-N 3.45Å; C484-S487 PolarHBondContact O-N 3.09Å
485H91.4Very high93.8Very high119 Ų11940 Ų4055%0.55121%0.207SC*.THydrogen-bonded Turntrans-54.2-37.3173.5-178.167.7000112.7R332 E481 A482 L483R332-H485 HydrophobicContact CG-CB 4.29Å; E481-H485 PolarHBondContact O-N 3.25Å; E481-H485 VanDerWaalsContact O-N 3.15Å; A482-H485 WeakPolarHBondContact O-CB 3.34Å; A482-H485 PolarHBondContact O-N 3.34Å; L483-H485 PolarHBondContact O-N 3.48Å
486I92Very high93.5Very high53 Ų5341 Ų4127%0.27221%0.213SC..THydrogen-bonded Turntrans-88.2-47.9175.7-60.9-58.5000111L321 S328 I329 L483 C484 L490L321-I486 HydrophobicContact CD1-CG2 4.18Å; L321-I486 HydrophobicContact CD2-CG2 3.98Å; S328-I486 WeakPolarHBondContact OG-CD1 3.27Å; I329-I486 HydrophobicContact CD1-CB 4.43Å; I329-I486 HydrophobicContact CD1-CG1 3.88Å; I329-I486 HydrophobicContact CG1-CB 4.44Å; I329-I486 HydrophobicContact CG1-CG1 3.52Å; L483-I486 PolarHBondContact O-N 3.03Å; C484-I486 PolarHBondContact O-N 3.45Å; I486-L490 HydrophobicContact CB-CD1 4.03Å; I486-L490 HydrophobicContact CG2-CD1 3.9Å
487S90.6Very high92.9Very high39 Ų3940.6 Ų40.627%0.27321%0.21SC..  trans-160.3134.4175.6-172.10000111.4L483 C484 K489 L490L483-S487 PolarHBondContact O-N 3.46Å; C484-S487 PolarHBondContact O-N 3.09Å; S487-K489 PolarHBondContact O-N 3.15Å; S487-K489 PolarHBondContact OG-N 3.01Å; S487-L490 WeakPolarHBondContact O-CB 3.3Å; S487-L490 PolarHBondContact O-N 3.3Å
488P88.7Confident91.5Very high98 Ų9842.1 Ų42.164%0.63622%0.221SC*.G310 helixtrans-55.2-26.5171.8-26.434.6000113.6L490 K491P488-L490 PolarHBondContact O-N 3.19Å; P488-K491 WeakPolarHBondContact O-CB 3.4Å; P488-K491 PolarHBondContact O-N 3.43Å
489K87.9Confident89.9Confident145 Ų14545.7 Ų45.763%0.6324%0.235SC*.G310 helixtrans-72.7-6.5178.9-64.3-176.1-179.8178.20114.1C314 R317 S487C314-K489 PolarHBondContact SG-O 2.9Å; R317-K489 PolarHBondContact NH1-O 2.79Å; S487-K489 PolarHBondContact O-N 3.15Å; S487-K489 PolarHBondContact OG-N 3.01Å
490L91.9Very high87.9Confident5 Ų553.8 Ų53.83%0.02627%0.265CS..G310 helixtrans-95.8-8.1177.6-66.5170.9000112.8R317 L318 L321 L483 I486 S487 P488 E492 C493R317-L490 HydrophobicContact CB-CD2 3.88Å; L318-L490 HydrophobicContact CB-CD2 4.5Å; L321-L490 HydrophobicContact CD1-CD1 3.8Å; L321-L490 HydrophobicContact CD2-CD1 4.49Å; L483-L490 HydrophobicContact CB-CB 4.25Å; L483-L490 HydrophobicContact CD2-CB 4.19Å; I486-L490 HydrophobicContact CB-CD1 4.03Å; I486-L490 HydrophobicContact CG2-CD1 3.9Å; S487-L490 WeakPolarHBondContact O-CB 3.3Å; S487-L490 PolarHBondContact O-N 3.3Å; P488-L490 PolarHBondContact O-N 3.19Å; L490-E492 PolarHBondContact O-N 3.47Å; L490-E492 VanDerWaalsContact O-N 3.09Å; L490-C493 VanDerWaalsContact O-CB 3.28Å; L490-C493 WeakPolarHBondContact O-CB 3.07Å; L490-C493 PolarHBondContact O-N 3.4Å; L490-C493 PolarHBondContact O-SG 2.75Å
491K90.1Very high86Confident86 Ų8655.9 Ų55.937%0.37428%0.275SS..G310 helixtrans-46.5-43.3178.3-173.2-178.5178.8-174.80112.1Q480 P488 C493 A494Q480-K491 HydrophobicContact CB-CG 3.96Å; Q480-K491 HydrophobicContact CG-CG 3.9Å; P488-K491 WeakPolarHBondContact O-CB 3.4Å; P488-K491 PolarHBondContact O-N 3.43Å; K491-C493 PolarHBondContact O-N 3Å; K491-C493 VanDerWaalsContact O-N 3.14Å; K491-A494 PolarHBondContact O-N 2.84Å
492E87.7Confident84.5Confident59 Ų5953.3 Ų53.328%0.27626%0.263SS..G310 helixtrans-73.6-2.1-175.7-44.3-62.2114.100114.6D310 C314 L490 A494 H495D310-E492 HydrophobicContact CB-CB 4.26Å; C314-E492 HydrophobicContact CB-CB 4.18Å; L490-E492 PolarHBondContact O-N 3.47Å; L490-E492 VanDerWaalsContact O-N 3.09Å; E492-A494 PolarHBondContact O-N 2.82Å; E492-H495 WeakPolarHBondContact CA-CE1 3.31Å; E492-H495 VanDerWaalsContact CB-CE1 3.47Å; E492-H495 WeakPolarHBondContact CB-CE1 3.48Å; E492-H495 PolarHBondContact O-ND1 2.96Å; E492-H495 IonicContact OE1-NE2 2.76Å; E492-H495 IonicContact OE2-CE1 2.83Å; E492-H495 PolarHBondContact OE2-CE1 3.38Å; E492-H495 IonicContact OE2-NE2 2.84Å; E492-H495 PolarHBondContact OE2-NE2 3.11Å; E492-H495 VanDerWaalsContact OE2-NE2 3.09Å
493C93.1Very high83.5Confident0 Ų054.4 Ų54.40%027%0.269CS..G310 helixtrans-67.5-21.8173.9-61.40000112.5C314 L454 A459 V460 L483 L490 K491C314-C493 VanDerWaalsContact CB-SG 3.59Å; C314-C493 PolarHBondContact O-SG 2.79Å; L454-C493 HydrophobicContact CD2-CB 3.99Å; A459-C493 CarbonylContact C-O 3.51Å; A459-C493 VanDerWaalsContact CA-O 3.31Å; A459-C493 WeakPolarHBondContact CA-O 3.33Å; V460-C493 PolarHBondContact N-O 2.77Å; L483-C493 HydrophobicContact CD1-CB 4.12Å; L483-C493 HydrophobicContact CD2-CB 4.29Å; L490-C493 VanDerWaalsContact O-CB 3.28Å; L490-C493 WeakPolarHBondContact O-CB 3.07Å; L490-C493 PolarHBondContact O-N 3.4Å; L490-C493 PolarHBondContact O-SG 2.75Å; K491-C493 PolarHBondContact O-N 3Å; K491-C493 VanDerWaalsContact O-N 3.14Å
494A94.7Very high82.6Confident0 Ų056.6 Ų56.60%029%0.287CS..EExtended strand (participates in β ladder)trans-135.7121.517800000110.1V460 I476 V479 Q480 L483 K491 E492V460-A494 HydrophobicContact CG1-CB 3.93Å; V460-A494 WeakPolarHBondContact O-CA 3.44Å; I476-A494 HydrophobicContact CD1-CB 4.05Å; V479-A494 HydrophobicContact CG1-CB 3.67Å; Q480-A494 PolarHBondContact NE2-O 3.02Å; L483-A494 HydrophobicContact CD1-CB 3.94Å; K491-A494 PolarHBondContact O-N 2.84Å; E492-A494 PolarHBondContact O-N 2.82Å
495H91.4Very high81.8Confident21 Ų2157.4 Ų57.410%0.09729%0.288CS..EExtended strand (participates in β ladder)trans-131.8143.8-178.9-85.5111.1000112.9V460 L461 L462 E492V460-H495 PolarHBondContact O-N 2.83Å; L461-H495 HydrophobicContact CD2-CB 3.92Å; L462-H495 WeakPolarHBondContact CB-O 3.4Å; L462-H495 PolarHBondContact N-O 2.82Å; E492-H495 WeakPolarHBondContact CA-CE1 3.31Å; E492-H495 VanDerWaalsContact CB-CE1 3.47Å; E492-H495 WeakPolarHBondContact CB-CE1 3.48Å; E492-H495 PolarHBondContact O-ND1 2.96Å; E492-H495 IonicContact OE1-NE2 2.76Å; E492-H495 IonicContact OE2-CE1 2.83Å; E492-H495 PolarHBondContact OE2-CE1 3.38Å; E492-H495 IonicContact OE2-NE2 2.84Å; E492-H495 PolarHBondContact OE2-NE2 3.11Å; E492-H495 VanDerWaalsContact OE2-NE2 3.09Å
496L90.5Very high81.3Confident24 Ų2451.8 Ų51.813%0.12626%0.262CS..EExtended strand (participates in β ladder)trans-92.9118.7166.3-17373.3000108.9L446 L462 N472 I476 S498L446-L496 HydrophobicContact CD1-CD1 4.29Å; L462-L496 HydrophobicContact CB-CD1 4.39Å; L462-L496 CarbonylContact O-C 3.15Å; L462-L496 VanDerWaalsContact O-CA 3.29Å; L462-L496 WeakPolarHBondContact O-CA 3.17Å; L462-L496 WeakPolarHBondContact O-CD1 3.43Å; N472-L496 HydrophobicContact CB-CD1 4.02Å; N472-L496 HydrophobicContact CB-CD2 3.91Å; I476-L496 HydrophobicContact CB-CB 4.09Å; I476-L496 HydrophobicContact CG1-CB 4.02Å; I476-L496 HydrophobicContact CG2-CB 3.79Å; I476-L496 HydrophobicContact CG2-CD2 4.17Å; L496-S498 PolarHBondContact O-N 3.1Å
497V85.6Confident81.1Confident1 Ų149.3 Ų49.31%0.00625%0.249CC..  trans-77.1116.5172.5-178.80000107.8L461 L462 K463 D502 L506L461-V497 HydrophobicContact CB-CG2 4.14Å; L462-V497 PolarHBondContact O-N 3.1Å; K463-V497 HydrophobicContact CB-CB 4.29Å; K463-V497 HydrophobicContact CD-CB 4.02Å; K463-V497 HydrophobicContact CD-CG1 4.15Å; K463-V497 WeakPolarHBondContact CD-O 3.24Å; V497-D502 HydrophobicContact CG1-CB 3.91Å; V497-L506 HydrophobicContact CB-CD1 4.31Å; V497-L506 HydrophobicContact CG1-CD1 3.71Å; V497-L506 HydrophobicContact CG2-CD1 3.81Å
498S65.5Low80.7Confident79 Ų7951.7 Ų51.755%0.55226%0.256SS*.  trans-74-48.8-171-46.60000112.2K463 L496K463-S498 PolarHBondContact NZ-O 2.87Å; K463-S498 VanDerWaalsContact NZ-O 3.07Å; L496-S498 PolarHBondContact O-N 3.1Å
499R64.8Low80.6Confident78 Ų7848.4 Ų48.429%0.29423%0.233SC..  trans-96.6148.9-166.7-46.6179.5171.5177.8-0.5112.8E301 K463 D502E301-R499 VanDerWaalsContact CD-NH2 3.34Å; E301-R499 IonicContact OE1-CZ 3.14Å; E301-R499 IonicContact OE1-NH1 2.91Å; E301-R499 PolarHBondContact OE1-NH1 2.92Å; E301-R499 IonicContact OE1-NH2 3.33Å; E301-R499 PolarHBondContact OE1-NH2 3.36Å; E301-R499 IonicContact OE2-NH1 3.22Å; E301-R499 PolarHBondContact OE2-NH1 2.78Å; K463-R499 VanDerWaalsContact CE-O 3.28Å; K463-R499 WeakPolarHBondContact CE-O 3.37Å; R499-D502 VanDerWaalsContact CB-OD2 3.27Å; R499-D502 WeakPolarHBondContact CB-OD2 3.21Å
500R57.2Low80.5Confident171 Ų17144.8 Ų44.865%0.64522%0.22SC*.SBendtrans-74.4-35.1179.3-171.2-178.5-172.8-176.23.9112D502 I503R500-D502 PolarHBondContact O-N 3.3Å; R500-I503 HydrophobicContact CG-CD1 4.23Å; R500-I503 WeakPolarHBondContact O-CB 3.26Å; R500-I503 WeakPolarHBondContact O-CG1 3.36Å; R500-I503 PolarHBondContact O-N 2.83Å; R500-I503 VanDerWaalsContact O-N 3.16Å
501E57.6Low80.2Confident72 Ų7250.9 Ų50.934%0.33625%0.249SC..THydrogen-bonded Turntrans-62-29.5-179.3-59.2-176.2-175.800111.4R288 I503R288-E501 WeakPolarHBondContact CA-OE2 3.22Å; E501-I503 PolarHBondContact O-N 2.8Å
502D64.9Low80.2Confident23 Ų2349 Ų4912%0.12324%0.24CC..Hα-helixtrans-65.2-18.6177.6-55.7-12.8000113.8V304 V497 R499 R500 A504 D505 L506V304-D502 HydrophobicContact CB-CB 4.42Å; V304-D502 HydrophobicContact CG1-CB 3.98Å; V304-D502 HydrophobicContact CG2-CB 3.53Å; V304-D502 WeakPolarHBondContact CG2-OD1 3.28Å; V304-D502 WeakPolarHBondContact CG2-OD2 3.21Å; V497-D502 HydrophobicContact CG1-CB 3.91Å; R499-D502 VanDerWaalsContact CB-OD2 3.27Å; R499-D502 WeakPolarHBondContact CB-OD2 3.21Å; R500-D502 PolarHBondContact O-N 3.3Å; D502-A504 PolarHBondContact O-N 3.42Å; D502-D505 PolarHBondContact O-N 3.46Å; D502-L506 HydrophobicContact CB-CD1 4.48Å; D502-L506 WeakPolarHBondContact O-CB 3.17Å; D502-L506 VanDerWaalsContact O-CG 3.25Å; D502-L506 WeakPolarHBondContact O-CG 3.25Å; D502-L506 PolarHBondContact O-N 2.73Å
503I77.5Confident80.5Confident25 Ų2546.2 Ų46.213%0.12823%0.227CC..Hα-helixtrans-63.6-45.4-178.1-65171.8000110.6I438 K463 R500 E501 D505 L506 L507I438-I503 HydrophobicContact CD1-CG2 3.65Å; I438-I503 HydrophobicContact CG2-CD1 4.25Å; K463-I503 HydrophobicContact CD-CG1 4.49Å; K463-I503 HydrophobicContact CG-CD1 3.86Å; K463-I503 HydrophobicContact CG-CG1 3.94Å; R500-I503 HydrophobicContact CG-CD1 4.23Å; R500-I503 WeakPolarHBondContact O-CB 3.26Å; R500-I503 WeakPolarHBondContact O-CG1 3.36Å; R500-I503 PolarHBondContact O-N 2.83Å; R500-I503 VanDerWaalsContact O-N 3.16Å; E501-I503 PolarHBondContact O-N 2.8Å; I503-D505 VanDerWaalsContact C-N 3.28Å; I503-D505 PolarHBondContact O-N 3.07Å; I503-L506 PolarHBondContact O-N 3.39Å; I503-L507 HydrophobicContact CG2-CD1 3.72Å; I503-L507 HydrophobicContact CG2-CG 4.14Å; I503-L507 WeakPolarHBondContact O-CB 3.36Å; I503-L507 WeakPolarHBondContact O-CG 3.23Å; I503-L507 PolarHBondContact O-N 2.88Å
504A77.4Confident80.6Confident45 Ų4548.5 Ų48.537%0.37224%0.239SC..Hα-helixtrans-62.6-42-178.400000110.8D502 L507 Q508D502-A504 PolarHBondContact O-N 3.42Å; A504-L507 PolarHBondContact O-N 3.32Å; A504-Q508 WeakPolarHBondContact O-CG 3.33Å; A504-Q508 PolarHBondContact O-N 3.29Å
505D76.4Confident80.7Confident63 Ų6349 Ų4934%0.33724%0.241SC..Hα-helixtrans-63.6-49.4176.9-70-2.9000111D502 I503 L507 Q508 M509D502-D505 PolarHBondContact O-N 3.46Å; I503-D505 VanDerWaalsContact C-N 3.28Å; I503-D505 PolarHBondContact O-N 3.07Å; D505-L507 VanDerWaalsContact C-N 3.29Å; D505-L507 PolarHBondContact O-N 3.01Å; D505-Q508 PolarHBondContact O-N 2.98Å; D505-M509 HydrophobicContact CB-CE 4.27Å; D505-M509 WeakPolarHBondContact O-CG 3.27Å
506L82.6Confident80.9Confident0 Ų048 Ų480%024%0.237CC..Hα-helixtrans-57.3-41.2177-75.2165.7000112.1V304 L436 L461 V497 D502 I503 Q508 M509 I513V304-L506 HydrophobicContact CG1-CD1 3.91Å; V304-L506 HydrophobicContact CG1-CD2 3.3Å; V304-L506 HydrophobicContact CG1-CG 3.29Å; L436-L506 HydrophobicContact CD1-CD1 3.95Å; L436-L506 HydrophobicContact CD2-CB 3.73Å; L436-L506 HydrophobicContact CD2-CD1 4.44Å; L461-L506 HydrophobicContact CD1-CD2 3.81Å; V497-L506 HydrophobicContact CB-CD1 4.31Å; V497-L506 HydrophobicContact CG1-CD1 3.71Å; V497-L506 HydrophobicContact CG2-CD1 3.81Å; D502-L506 HydrophobicContact CB-CD1 4.48Å; D502-L506 WeakPolarHBondContact O-CB 3.17Å; D502-L506 VanDerWaalsContact O-CG 3.25Å; D502-L506 WeakPolarHBondContact O-CG 3.25Å; D502-L506 PolarHBondContact O-N 2.73Å; I503-L506 PolarHBondContact O-N 3.39Å; L506-Q508 PolarHBondContact O-N 3.38Å; L506-Q508 VanDerWaalsContact O-N 3.15Å; L506-M509 HydrophobicContact CD2-SD 4Å; L506-M509 WeakPolarHBondContact O-CB 3.17Å; L506-M509 PolarHBondContact O-N 2.83Å; L506-I513 HydrophobicContact CB-CD1 4.09Å; L506-I513 HydrophobicContact CD2-CD1 3.77Å; L506-I513 WeakPolarHBondContact O-CD1 3.3Å
507L86.2Confident81.1Confident1 Ų146.9 Ų46.91%0.00523%0.231CC..THydrogen-bonded Turntrans-67.4-12179.8-68.3175.2000113.6L436 I438 I503 A504 D505 V516 I528 L531L436-L507 HydrophobicContact CD2-CD2 3.96Å; I438-L507 HydrophobicContact CD1-CD2 4.43Å; I503-L507 HydrophobicContact CG2-CD1 3.72Å; I503-L507 HydrophobicContact CG2-CG 4.14Å; I503-L507 WeakPolarHBondContact O-CB 3.36Å; I503-L507 WeakPolarHBondContact O-CG 3.23Å; I503-L507 PolarHBondContact O-N 2.88Å; A504-L507 PolarHBondContact O-N 3.32Å; D505-L507 VanDerWaalsContact C-N 3.29Å; D505-L507 PolarHBondContact O-N 3.01Å; L507-V516 HydrophobicContact CD2-CB 4.33Å; L507-V516 HydrophobicContact CD2-CG1 3.8Å; L507-V516 HydrophobicContact CD2-CG2 3.65Å; L507-I528 HydrophobicContact CD1-CG1 4.46Å; L507-I528 HydrophobicContact CD1-CG2 4.48Å; L507-I528 HydrophobicContact CD2-CG2 4.14Å; L507-L531 HydrophobicContact CD1-CB 3.6Å; L507-L531 HydrophobicContact CD1-CD1 4.18Å
508Q83.4Confident81.5Confident90 Ų9047 Ų4742%0.42123%0.232SC..THydrogen-bonded Turntrans-97.8-2.4172-54.8-45.1-68.400113.5A504 D505 L506 D510 L531A504-Q508 WeakPolarHBondContact O-CG 3.33Å; A504-Q508 PolarHBondContact O-N 3.29Å; D505-Q508 PolarHBondContact O-N 2.98Å; L506-Q508 PolarHBondContact O-N 3.38Å; L506-Q508 VanDerWaalsContact O-N 3.15Å; Q508-D510 VanDerWaalsContact C-N 3.26Å; Q508-D510 PolarHBondContact O-N 2.82Å; Q508-L531 PolarHBondContact NE2-O 3.46Å
509M85.9Confident82.6Confident28 Ų2845.5 Ų45.514%0.13821%0.214CC..  trans-86.454.5-176.1-66.2178.2-174.800112.6V304 E305 A308 D505 L506 E511 Y512 I513V304-M509 HydrophobicContact CB-CE 4.35Å; V304-M509 HydrophobicContact CG1-CE 4.06Å; E305-M509 HydrophobicContact CB-CE 3.74Å; E305-M509 HydrophobicContact CB-SD 4.27Å; E305-M509 HydrophobicContact CG-CE 4.38Å; A308-M509 HydrophobicContact CB-SD 4.14Å; D505-M509 HydrophobicContact CB-CE 4.27Å; D505-M509 WeakPolarHBondContact O-CG 3.27Å; L506-M509 HydrophobicContact CD2-SD 4Å; L506-M509 WeakPolarHBondContact O-CB 3.17Å; L506-M509 PolarHBondContact O-N 2.83Å; M509-E511 PolarHBondContact O-N 2.96Å; M509-E511 VanDerWaalsContact O-N 3.14Å; M509-Y512 HydrophobicContact CB-CD2 4.35Å; M509-Y512 PolarHBondContact O-N 3.36Å; M509-I513 HydrophobicContact CB-CD1 4.21Å; M509-I513 HydrophobicContact CB-CG1 4.33Å; M509-I513 PolarHBondContact O-N 3.27Å
510D86.7Confident83.7Confident69 Ų6943.1 Ų43.137%0.36921%0.214SC..THydrogen-bonded Turntrans-64-16.3-178.664.2-71.4000114.5Q508 Y512 K534 I535Q508-D510 VanDerWaalsContact C-N 3.26Å; Q508-D510 PolarHBondContact O-N 2.82Å; D510-Y512 VanDerWaalsContact C-N 3.33Å; D510-K534 HydrophobicContact CB-CB 3.8Å; D510-K534 HydrophobicContact CB-CD 4.03Å; D510-K534 VanDerWaalsContact OD1-CD 3.26Å; D510-K534 WeakPolarHBondContact OD1-CD 3.42Å; D510-K534 IonicContact OD1-NZ 3.98Å; D510-K534 PolarHBondContact OD1-NZ 3.41Å; D510-K534 WeakPolarHBondContact OD2-CD 3.36Å; D510-K534 IonicContact OD2-NZ 3.97Å; D510-K534 PolarHBondContact OD2-NZ 2.93Å; D510-K534 VanDerWaalsContact OD2-NZ 3.1Å; D510-I535 HydrophobicContact CB-CG1 3.88Å
511E86.1Confident85Confident133 Ų13335.4 Ų35.462%0.62119%0.186SC*.THydrogen-bonded Turntrans-71.4-28.7172.8-174.9172.3-175.500112.9M509M509-E511 PolarHBondContact O-N 2.96Å; M509-E511 VanDerWaalsContact O-N 3.14Å
512Y89.4Confident86.3Confident47 Ų4732.6 Ų32.618%0.18418%0.175CC..THydrogen-bonded Turntrans-113.6-37.7-171.4-56.7-60.3000113.5E305 A308 V309 R312 V434 M509 D510E305-Y512 HydrophobicContact CG-CD2 4.44Å; E305-Y512 HydrophobicContact CG-CE2 3.92Å; A308-Y512 HydrophobicContact CB-CG 4.41Å; V309-Y512 HydrophobicContact CG2-CD1 3.94Å; V309-Y512 HydrophobicContact CG2-CD2 4.37Å; V309-Y512 HydrophobicContact CG2-CE1 3.58Å; V309-Y512 HydrophobicContact CG2-CE2 4.03Å; V309-Y512 HydrophobicContact CG2-CG 4.33Å; R312-Y512 PolarHBondContact NH1-O 3.4Å; V434-Y512 WeakPolarHBondContact CB-O 3.35Å; V434-Y512 WeakPolarHBondContact CG2-O 3.41Å; M509-Y512 HydrophobicContact CB-CD2 4.35Å; M509-Y512 PolarHBondContact O-N 3.36Å; D510-Y512 VanDerWaalsContact C-N 3.33Å
513I93.9Very high87.3Confident1 Ų133.6 Ų33.61%0.00519%0.186CC..  trans-101.7123.4-176.2-55.1179.2000109.3A308 L436 L461 L506 M509 I535A308-I513 HydrophobicContact CB-CG1 4.35Å; L436-I513 HydrophobicContact CB-CD1 4.24Å; L436-I513 HydrophobicContact CB-CG2 3.78Å; L436-I513 HydrophobicContact CD2-CD1 4.26Å; L461-I513 HydrophobicContact CD1-CD1 4.06Å; L461-I513 HydrophobicContact CD1-CG1 4.41Å; L506-I513 HydrophobicContact CB-CD1 4.09Å; L506-I513 HydrophobicContact CD2-CD1 3.77Å; L506-I513 WeakPolarHBondContact O-CD1 3.3Å; M509-I513 HydrophobicContact CB-CD1 4.21Å; M509-I513 HydrophobicContact CB-CG1 4.33Å; M509-I513 PolarHBondContact O-N 3.27Å; I513-I535 HydrophobicContact CB-CD1 3.89Å; I513-I535 HydrophobicContact CG2-CD1 4.11Å; I513-I535 HydrophobicContact CG2-CG2 4.24Å
514D95.7Very high87.8Confident47 Ų4733.6 Ų33.625%0.25119%0.187SC..  trans-97.9-22.9-172.8-53.9-81.3000112.5R312 I432 G433 V434R312-D514 IonicContact NH1-OD1 3.24Å; R312-D514 PolarHBondContact NH1-OD1 2.94Å; R312-D514 IonicContact NH1-OD2 2.72Å; R312-D514 PolarHBondContact NH1-OD2 3.34Å; I432-D514 HydrophobicContact CG2-CB 3.8Å; G433-D514 WeakPolarHBondContact CA-OD2 3.46Å; V434-D514 PolarHBondContact N-OD2 3.14Å; V434-D514 PolarHBondContact O-N 2.97Å
515L95.6Very high88.4Confident10 Ų1031.7 Ų31.75%0.05217%0.17CC..EExtended strand (participates in β ladder)trans-151.3139.3-179.5-176.667000112.5I432 V434 M435 L436 I517 P536 L538 L719I432-L515 HydrophobicContact CD1-CD2 3.97Å; I432-L515 HydrophobicContact CG2-CB 4.26Å; V434-L515 PolarHBondContact O-N 3.01Å; M435-L515 CarbonylContact C-O 3.58Å; M435-L515 WeakPolarHBondContact CA-O 3.36Å; M435-L515 HydrophobicContact CG-CB 4.3Å; M435-L515 HydrophobicContact SD-CD2 4.23Å; L436-L515 PolarHBondContact N-O 3.06Å; L515-I517 HydrophobicContact CD2-CD1 4.03Å; L515-I517 HydrophobicContact CD2-CG1 4.08Å; L515-I517 HydrophobicContact CG-CG1 4.16Å; L515-P536 HydrophobicContact CD1-CB 4.22Å; L515-L538 HydrophobicContact CD1-CB 3.92Å; L515-L538 HydrophobicContact CD2-CB 4.46Å; L515-L538 HydrophobicContact CD2-CD1 4.32Å; L515-L538 HydrophobicContact CG-CB 4.49Å; L515-L719 HydrophobicContact CD2-CD2 4.48Å
516V95.3Very high89.1Confident0 Ų033 Ų330%017%0.174CC..EExtended strand (participates in β ladder)trans-111.8135.1171.8-177.30000110.9L436 I438 L507 I528 I535 P536 V537 L538L436-V516 HydrophobicContact CB-CG2 4.29Å; L436-V516 HydrophobicContact CD2-CG1 4.47Å; L436-V516 HydrophobicContact CD2-CG2 4.26Å; L436-V516 CarbonylContact O-C 3.43Å; L436-V516 VanDerWaalsContact O-CA 3.23Å; L436-V516 WeakPolarHBondContact O-CA 3.43Å; I438-V516 HydrophobicContact CD1-CG1 4.44Å; L507-V516 HydrophobicContact CD2-CB 4.33Å; L507-V516 HydrophobicContact CD2-CG1 3.8Å; L507-V516 HydrophobicContact CD2-CG2 3.65Å; V516-I528 HydrophobicContact CG1-CG2 3.57Å; V516-I535 HydrophobicContact CG2-CB 4.06Å; V516-I535 HydrophobicContact CG2-CD1 4.39Å; V516-I535 HydrophobicContact CG2-CG2 3.7Å; V516-P536 PolarHBondContact N-O 2.59Å; V516-V537 HydrophobicContact CB-CG2 4.3Å; V516-V537 CarbonylContact O-C 3.52Å; V516-V537 WeakPolarHBondContact O-CA 3.32Å; V516-L538 PolarHBondContact O-N 3.24Å
517I94.7Very high89.4Confident1 Ų138.1 Ų38.11%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-126.3100178.9-49.4178.8000109.9M435 L436 V437 I438 L515 R519 L538 V701 L719M435-I517 HydrophobicContact SD-CD1 4.34Å; L436-I517 PolarHBondContact O-N 2.9Å; V437-I517 WeakPolarHBondContact CA-O 3.26Å; V437-I517 HydrophobicContact CB-CB 4.49Å; V437-I517 HydrophobicContact CG1-CB 4.33Å; V437-I517 WeakPolarHBondContact CG1-O 3.28Å; V437-I517 HydrophobicContact CG2-CB 3.96Å; V437-I517 HydrophobicContact CG2-CD1 4.13Å; V437-I517 HydrophobicContact CG2-CG1 4.28Å; I438-I517 PolarHBondContact N-O 3.14Å; L515-I517 HydrophobicContact CD2-CD1 4.03Å; L515-I517 HydrophobicContact CD2-CG1 4.08Å; L515-I517 HydrophobicContact CG-CG1 4.16Å; I517-R519 HydrophobicContact CG2-CG 4.2Å; I517-L538 HydrophobicContact CG1-CB 4.41Å; I517-L538 HydrophobicContact CG2-CD2 4.29Å; I517-V701 HydrophobicContact CD1-CB 4.16Å; I517-V701 HydrophobicContact CD1-CG1 4.32Å; I517-V701 HydrophobicContact CD1-CG2 4.07Å; I517-V701 HydrophobicContact CG2-CB 4.41Å; I517-L719 HydrophobicContact CD1-CD2 4.01Å
518P93.8Very high89.6Confident5 Ų538.2 Ų38.23%0.03220%0.197CC..EExtended strand (participates in β ladder)trans-80.2131.2172.332.2-36.6000111.5I438 V525 I528 V537 L538I438-P518 CarbonylContact O-C 3.55Å; I438-P518 WeakPolarHBondContact O-CA 3.25Å; P518-V525 HydrophobicContact CB-CB 4.32Å; P518-V525 HydrophobicContact CB-CG1 4.5Å; P518-V525 HydrophobicContact CB-CG2 3.87Å; P518-V525 HydrophobicContact CG-CB 4.23Å; P518-V525 HydrophobicContact CG-CG1 3.87Å; P518-V525 HydrophobicContact CG-CG2 3.99Å; P518-I528 HydrophobicContact CB-CB 4.25Å; P518-I528 HydrophobicContact CB-CD1 3.56Å; P518-I528 HydrophobicContact CB-CG2 4.29Å; P518-I528 HydrophobicContact CG-CG2 4.36Å; P518-V537 VanDerWaalsContact CD-CG1 3.46Å; P518-V537 HydrophobicContact CG-CG1 3.68Å; P518-L538 WeakPolarHBondContact CD-O 3.5Å
519R90.3Very high89.9Confident47 Ų4737.7 Ų37.718%0.17720%0.195CC..EExtended strand (participates in β ladder)trans-132.992.9-179.7-79.8-74.9-81.5-155-14.6111.3I438 F439 E440 I517 E700 V701I438-R519 PolarHBondContact O-N 3.16Å; F439-R519 WeakPolarHBondContact CA-O 3.28Å; F439-R519 HydrophobicContact CB-CB 3.89Å; F439-R519 WeakPolarHBondContact CB-O 3.31Å; E440-R519 PolarHBondContact N-O 3.1Å; I517-R519 HydrophobicContact CG2-CG 4.2Å; R519-E700 IonicContact NH1-OE1 2.77Å; R519-E700 PolarHBondContact NH1-OE1 3.37Å; R519-V701 WeakPolarHBondContact CD-O 3.27Å; R519-V701 WeakPolarHBondContact CG-O 3.2Å; R519-V701 PolarHBondContact NE-O 3.37Å; R519-V701 PolarHBondContact NH1-O 2.88Å
520G87.4Confident90Very high28 Ų2840.4 Ų40.429%0.28922%0.216SC..SBendtrans-178.5-145.6-173.600000113.6
521S84.6Confident90Very high8 Ų839.9 Ų39.96%0.05621%0.213CC..  trans-63.8160.417060.40000112.1A365 E440 A523 L524 V525A365-S521 WeakPolarHBondContact O-CB 3.41Å; A365-S521 PolarHBondContact O-OG 3.3Å; E440-S521 WeakPolarHBondContact OE1-CA 3.33Å; E440-S521 WeakPolarHBondContact OE1-CB 3.48Å; E440-S521 PolarHBondContact OE1-N 2.89Å; E440-S521 PolarHBondContact OE1-OG 3.38Å; S521-A523 PolarHBondContact O-N 2.81Å; S521-L524 PolarHBondContact O-N 3.02Å; S521-L524 WeakPolarHBondContact OG-CB 3.47Å; S521-L524 PolarHBondContact OG-N 2.95Å; S521-L524 VanDerWaalsContact OG-N 3.11Å; S521-V525 WeakPolarHBondContact O-CG2 3.15Å; S521-V525 PolarHBondContact O-N 2.78Å; S521-V525 VanDerWaalsContact O-N 3.15Å
522A84Confident90.1Very high13 Ų1334.1 Ų34.111%0.10719%0.188CC..Hα-helixtrans-58.2-38.8170.100000111.7L524 V525 Q526 S541A522-L524 VanDerWaalsContact C-N 3.34Å; A522-L524 PolarHBondContact O-N 2.98Å; A522-V525 PolarHBondContact O-N 3.26Å; A522-Q526 WeakPolarHBondContact O-CB 3.47Å; A522-Q526 VanDerWaalsContact O-CG 3.25Å; A522-Q526 WeakPolarHBondContact O-CG 3.42Å; A522-Q526 PolarHBondContact O-N 2.84Å; A522-S541 WeakPolarHBondContact CB-O 3.44Å
523A86.4Confident89.8Confident44 Ų4440 Ų4036%0.36421%0.214SC..Hα-helixtrans-61.5-43.3179.600000111.3S521 K527S521-A523 PolarHBondContact O-N 2.81Å; A523-K527 WeakPolarHBondContact O-CB 3.49Å; A523-K527 PolarHBondContact O-N 2.83Å
524L88.4Confident89.4Confident26 Ų2646.6 Ų46.614%0.13624%0.243CC..Hα-helixtrans-60.6-49.4174.2178.666.4000111.4I438 E440 S521 A522 K527 I528I438-L524 HydrophobicContact CG2-CD1 4.13Å; I438-L524 HydrophobicContact CG2-CD2 4.39Å; E440-L524 HydrophobicContact CB-CD2 4.43Å; E440-L524 HydrophobicContact CG-CD2 3.88Å; S521-L524 PolarHBondContact O-N 3.02Å; S521-L524 WeakPolarHBondContact OG-CB 3.47Å; S521-L524 PolarHBondContact OG-N 2.95Å; S521-L524 VanDerWaalsContact OG-N 3.11Å; A522-L524 VanDerWaalsContact C-N 3.34Å; A522-L524 PolarHBondContact O-N 2.98Å; L524-K527 PolarHBondContact O-N 3.46Å; L524-I528 HydrophobicContact CD1-CD1 3.68Å; L524-I528 HydrophobicContact CD1-CG1 4.37Å; L524-I528 HydrophobicContact CG-CD1 3.82Å; L524-I528 WeakPolarHBondContact O-CG1 3.48Å; L524-I528 PolarHBondContact O-N 2.92Å
525V90.4Very high89.3Confident4 Ų444.7 Ų44.72%0.02423%0.232CC..Hα-helixtrans-62-48.4-178.4177.40000111P518 S521 A522 K527 I528 Q529P518-V525 HydrophobicContact CB-CB 4.32Å; P518-V525 HydrophobicContact CB-CG1 4.5Å; P518-V525 HydrophobicContact CB-CG2 3.87Å; P518-V525 HydrophobicContact CG-CB 4.23Å; P518-V525 HydrophobicContact CG-CG1 3.87Å; P518-V525 HydrophobicContact CG-CG2 3.99Å; S521-V525 WeakPolarHBondContact O-CG2 3.15Å; S521-V525 PolarHBondContact O-N 2.78Å; S521-V525 VanDerWaalsContact O-N 3.15Å; A522-V525 PolarHBondContact O-N 3.26Å; V525-K527 VanDerWaalsContact C-N 3.33Å; V525-K527 PolarHBondContact O-N 2.79Å; V525-I528 PolarHBondContact O-N 3.03Å; V525-Q529 HydrophobicContact CG1-CG 4.31Å; V525-Q529 WeakPolarHBondContact O-CB 3.37Å; V525-Q529 VanDerWaalsContact O-CG 3.32Å; V525-Q529 WeakPolarHBondContact O-CG 3.36Å; V525-Q529 PolarHBondContact O-N 2.67Å
526Q90.1Very high89.1Confident91 Ų9148 Ų4843%0.42526%0.255SS..Hα-helixtrans-61.9-39.9178.3-72.1172.7-1.200111.9A522 Q529 S530A522-Q526 WeakPolarHBondContact O-CB 3.47Å; A522-Q526 VanDerWaalsContact O-CG 3.25Å; A522-Q526 WeakPolarHBondContact O-CG 3.42Å; A522-Q526 PolarHBondContact O-N 2.84Å; Q526-Q529 PolarHBondContact O-N 3.44Å; Q526-S530 WeakPolarHBondContact O-CB 3.25Å; Q526-S530 PolarHBondContact O-N 2.8Å; Q526-S530 PolarHBondContact O-OG 2.96Å; Q526-S530 VanDerWaalsContact O-OG 3.1Å
527K88.6Confident89Confident107 Ų10750 Ų5047%0.46527%0.267SS..Hα-helixtrans-63.1-44175.1-178.4174.9179.4175.40111.4A523 L524 V525 S530 L531A523-K527 WeakPolarHBondContact O-CB 3.49Å; A523-K527 PolarHBondContact O-N 2.83Å; L524-K527 PolarHBondContact O-N 3.46Å; V525-K527 VanDerWaalsContact C-N 3.33Å; V525-K527 PolarHBondContact O-N 2.79Å; K527-S530 PolarHBondContact O-N 3.44Å; K527-S530 PolarHBondContact O-OG 2.76Å; K527-L531 HydrophobicContact CG-CD1 3.85Å; K527-L531 HydrophobicContact CG-CG 4.42Å; K527-L531 WeakPolarHBondContact O-CB 3.41Å; K527-L531 VanDerWaalsContact O-CG 3.24Å; K527-L531 WeakPolarHBondContact O-CG 3.45Å; K527-L531 PolarHBondContact O-N 3.17Å
528I90.5Very high88.9Confident3 Ų350.3 Ų50.32%0.01527%0.268CS..Hα-helixtrans-68.1-41.6178.8-72.7164.8000111I438 L507 V516 P518 L524 V525 S530 L531 S532 V537I438-I528 HydrophobicContact CB-CD1 3.71Å; I438-I528 HydrophobicContact CD1-CD1 3.5Å; I438-I528 HydrophobicContact CD1-CG1 3.95Å; I438-I528 HydrophobicContact CG1-CD1 4.16Å; I438-I528 HydrophobicContact CG2-CD1 3.89Å; L507-I528 HydrophobicContact CD1-CG1 4.46Å; L507-I528 HydrophobicContact CD1-CG2 4.48Å; L507-I528 HydrophobicContact CD2-CG2 4.14Å; V516-I528 HydrophobicContact CG1-CG2 3.57Å; P518-I528 HydrophobicContact CB-CB 4.25Å; P518-I528 HydrophobicContact CB-CD1 3.56Å; P518-I528 HydrophobicContact CB-CG2 4.29Å; P518-I528 HydrophobicContact CG-CG2 4.36Å; L524-I528 HydrophobicContact CD1-CD1 3.68Å; L524-I528 HydrophobicContact CD1-CG1 4.37Å; L524-I528 HydrophobicContact CG-CD1 3.82Å; L524-I528 WeakPolarHBondContact O-CG1 3.48Å; L524-I528 PolarHBondContact O-N 2.92Å; V525-I528 PolarHBondContact O-N 3.03Å; I528-S530 VanDerWaalsContact C-N 3.31Å; I528-S530 PolarHBondContact O-N 3.39Å; I528-L531 PolarHBondContact O-N 3.3Å; I528-S532 WeakPolarHBondContact O-CB 3.4Å; I528-S532 PolarHBondContact O-N 3.02Å; I528-V537 HydrophobicContact CG2-CG1 4.09Å; I528-V537 HydrophobicContact CG2-CG2 4.31Å
529Q89.5Confident88.6Confident80 Ų8050.6 Ų50.637%0.37427%0.273SS..Hα-helixtrans-60.6-38.1174.8-74.4174.4-23.400112.4V525 Q526 V537V525-Q529 HydrophobicContact CG1-CG 4.31Å; V525-Q529 WeakPolarHBondContact O-CB 3.37Å; V525-Q529 VanDerWaalsContact O-CG 3.32Å; V525-Q529 WeakPolarHBondContact O-CG 3.36Å; V525-Q529 PolarHBondContact O-N 2.67Å; Q526-Q529 PolarHBondContact O-N 3.44Å; Q529-V537 HydrophobicContact CG-CB 4.3Å; Q529-V537 HydrophobicContact CG-CG1 3.97Å
530S88.6Confident88.3Confident84 Ų8450 Ų5059%0.58727%0.271SS*.Hα-helixtrans-76.5-32.6178.361.10000113.5Q526 K527 I528Q526-S530 WeakPolarHBondContact O-CB 3.25Å; Q526-S530 PolarHBondContact O-N 2.8Å; Q526-S530 PolarHBondContact O-OG 2.96Å; Q526-S530 VanDerWaalsContact O-OG 3.1Å; K527-S530 PolarHBondContact O-N 3.44Å; K527-S530 PolarHBondContact O-OG 2.76Å; I528-S530 VanDerWaalsContact C-N 3.31Å; I528-S530 PolarHBondContact O-N 3.39Å
531L86.5Confident88.1Confident59 Ų5950 Ų5031%0.30927%0.267SS..Hα-helixtrans-80.4-33.4177.9-69.3176.2000113.1L507 Q508 K527 I528 K533L507-L531 HydrophobicContact CD1-CB 3.6Å; L507-L531 HydrophobicContact CD1-CD1 4.18Å; Q508-L531 PolarHBondContact NE2-O 3.46Å; K527-L531 HydrophobicContact CG-CD1 3.85Å; K527-L531 HydrophobicContact CG-CG 4.42Å; K527-L531 WeakPolarHBondContact O-CB 3.41Å; K527-L531 VanDerWaalsContact O-CG 3.24Å; K527-L531 WeakPolarHBondContact O-CG 3.45Å; K527-L531 PolarHBondContact O-N 3.17Å; I528-L531 PolarHBondContact O-N 3.3Å; L531-K533 PolarHBondContact O-N 3.02Å; L531-K533 VanDerWaalsContact O-N 3.16Å
532S87.7Confident88.2Confident12 Ų1252.6 Ų52.68%0.08428%0.279CS..  trans-80.494.7-179.3-163.60000110.9I528 I535 V537I528-S532 WeakPolarHBondContact O-CB 3.4Å; I528-S532 PolarHBondContact O-N 3.02Å; S532-I535 PolarHBondContact OG-O 3.32Å; S532-V537 VanDerWaalsContact CB-CG2 3.47Å
533K82.8Confident88.5Confident169 Ų16952 Ų5274%0.73527%0.274SS*.SBendtrans-83.8-31.8-175.1-67.9-177.7179.6177.50114L531L531-K533 PolarHBondContact O-N 3.02Å; L531-K533 VanDerWaalsContact O-N 3.16Å
534K87.1Confident88.9Confident141 Ų14150 Ų5061%0.61326%0.257SS*.SBendtrans-122.7-29.9-172.5-63.8-179-174.9174.30113.5D510D510-K534 HydrophobicContact CB-CB 3.8Å; D510-K534 HydrophobicContact CB-CD 4.03Å; D510-K534 VanDerWaalsContact OD1-CD 3.26Å; D510-K534 WeakPolarHBondContact OD1-CD 3.42Å; D510-K534 IonicContact OD1-NZ 3.98Å; D510-K534 PolarHBondContact OD1-NZ 3.41Å; D510-K534 WeakPolarHBondContact OD2-CD 3.36Å; D510-K534 IonicContact OD2-NZ 3.97Å; D510-K534 PolarHBondContact OD2-NZ 2.93Å; D510-K534 VanDerWaalsContact OD2-NZ 3.1Å
535I92.6Very high89.4Confident6 Ų648.8 Ų48.83%0.03125%0.25CS..SBendtrans-82.4127.2179-49.8165.9000108.4D510 I513 V516 S532D510-I535 HydrophobicContact CB-CG1 3.88Å; I513-I535 HydrophobicContact CB-CD1 3.89Å; I513-I535 HydrophobicContact CG2-CD1 4.11Å; I513-I535 HydrophobicContact CG2-CG2 4.24Å; V516-I535 HydrophobicContact CG2-CB 4.06Å; V516-I535 HydrophobicContact CG2-CD1 4.39Å; V516-I535 HydrophobicContact CG2-CG2 3.7Å; S532-I535 PolarHBondContact OG-O 3.32Å
536P92.9Very high89.8Confident81 Ų8148.6 Ų48.653%0.52625%0.249SC..  trans-57.3139.7174.4-2434000111.8L515 V516L515-P536 HydrophobicContact CD1-CB 4.22Å; V516-P536 PolarHBondContact N-O 2.59Å
537V93Very high90.2Very high40 Ų4044.2 Ų44.224%0.24223%0.229CC..BIsolated β-bridgetrans-111.7120.1177.4-174.40000109.2V516 P518 I528 Q529 S532V516-V537 HydrophobicContact CB-CG2 4.3Å; V516-V537 CarbonylContact O-C 3.52Å; V516-V537 WeakPolarHBondContact O-CA 3.32Å; P518-V537 VanDerWaalsContact CD-CG1 3.46Å; P518-V537 HydrophobicContact CG-CG1 3.68Å; I528-V537 HydrophobicContact CG2-CG1 4.09Å; I528-V537 HydrophobicContact CG2-CG2 4.31Å; Q529-V537 HydrophobicContact CG-CB 4.3Å; Q529-V537 HydrophobicContact CG-CG1 3.97Å; S532-V537 VanDerWaalsContact CB-CG2 3.47Å
538L91.9Very high90.7Very high8 Ų839.1 Ų39.14%0.04221%0.207CC..  trans-100.7112.3175.6-179.1159.2000109.7L515 V516 I517 P518 V701 A710 V714L515-L538 HydrophobicContact CD1-CB 3.92Å; L515-L538 HydrophobicContact CD2-CB 4.46Å; L515-L538 HydrophobicContact CD2-CD1 4.32Å; L515-L538 HydrophobicContact CG-CB 4.49Å; V516-L538 PolarHBondContact O-N 3.24Å; I517-L538 HydrophobicContact CG1-CB 4.41Å; I517-L538 HydrophobicContact CG2-CD2 4.29Å; P518-L538 WeakPolarHBondContact CD-O 3.5Å; L538-V701 HydrophobicContact CD2-CG2 4.21Å; L538-A710 HydrophobicContact CD1-CB 4.1Å; L538-V714 HydrophobicContact CD1-CG1 3.89Å; L538-V714 HydrophobicContact CD1-CG2 4.21Å; L538-V714 HydrophobicContact CD2-CB 4.31Å; L538-V714 HydrophobicContact CD2-CG1 4.27Å; L538-V714 HydrophobicContact CD2-CG2 3.98Å; L538-V714 HydrophobicContact CG-CG2 4.44Å
539G87.3Confident91.1Very high12 Ų1239 Ų3912%0.12421%0.206CC..  trans164.9-178178.200000111.2
540H83.7Confident91.5Very high33 Ų3335.4 Ų35.415%0.15319%0.189CC..  trans-137.7145.9176.370.993.8000109.4E542 C573 H657 I703 T705H540-E542 PolarHBondContact ND1-O 3.39Å; H540-C573 WeakPolarHBondContact CE1-CB 3.49Å; H540-H657 AromaticContact CE1-CD2 3.64Å; H540-H657 AromaticContact CE1-NE2 3.85Å; H540-H657 AromaticContact ND1-CD2 3.67Å; H540-H657 AromaticContact NE2-CD2 3.99Å; H540-H657 AromaticContact NE2-NE2 3.85Å; H540-I703 PolarHBondContact CD2-O 2.98Å; H540-I703 VanDerWaalsContact CD2-O 3.28Å; H540-T705 HydrophobicContact CB-CG2 3.94Å
541S82.9Confident91.8Very high29 Ų2936.3 Ų36.320%0.20318%0.183CC..SBendtrans-89.2-29.9179.748.10000112.4K368 A522K368-S541 PolarHBondContact NZ-O 3.45Å; A522-S541 WeakPolarHBondContact CB-O 3.44Å
542E86.7Confident92.3Very high63 Ų6336.8 Ų36.829%0.29419%0.185SC..  trans-128.2150-172.1-64.6-179.217400111.5H540 H627 E629H540-E542 PolarHBondContact ND1-O 3.39Å; E542-H627 IonicContact OE2-CD2 3.17Å; E542-H627 IonicContact OE2-CE1 3.69Å; E542-H627 IonicContact OE2-NE2 3.22Å; E542-H627 PolarHBondContact OE2-NE2 3.35Å; E542-E629 WeakPolarHBondContact CA-OE2 3.25Å
543G90.2Very high92.7Very high0 Ų036.8 Ų36.80%019%0.185CC..  trans-131.261.1-178.800000111.3C545 C573 E629G543-C545 PolarHBondContact O-N 2.69Å; G543-C573 CarbonylContact C-O 3.57Å; G543-C573 VanDerWaalsContact C-O 3.31Å; G543-C573 WeakPolarHBondContact CA-O 3.38Å; G543-C573 VanDerWaalsContact O-O 3.09Å; G543-E629 PolarHBondContact N-OE2 3.24Å
544I95.5Very high93.4Very high2 Ų231.6 Ų31.61%0.0117%0.166CC..  trans-92.496.9177.8-53.7168.6000107.5E577 H627 E629 S655I544-E577 HydrophobicContact CG2-CB 4.24Å; I544-H627 WeakPolarHBondContact CD1-CD2 3.34Å; I544-H627 WeakPolarHBondContact CD1-NE2 3.15Å; I544-E629 HydrophobicContact CG1-CB 3.94Å; I544-S655 PolarHBondContact N-OG 2.99Å; I544-S655 PolarHBondContact O-N 3.22Å; I544-S655 PolarHBondContact O-OG 3.12Å
545C98.3Very high93.8Very high0 Ų028.1 Ų28.10%015%0.151CC..EExtended strand (participates in β ladder)trans-102.8146.4-180-620000110.7G543 C573 A575 V576 E577 T578 T658G543-C545 PolarHBondContact O-N 2.69Å; C545-C573 PolarHBondContact SG-O 3.42Å; C545-C573 VanDerWaalsContact SG-O 3.34Å; C545-A575 WeakPolarHBondContact CB-O 3.4Å; C545-V576 WeakPolarHBondContact O-CG2 3.43Å; C545-E577 PolarHBondContact O-N 2.88Å; C545-T578 PolarHBondContact O-N 3.46Å; C545-T658 VanDerWaalsContact CA-O 3.25Å; C545-T658 WeakPolarHBondContact CA-O 3.07Å; C545-T658 WeakPolarHBondContact CB-O 3.17Å; C545-T658 PolarHBondContact SG-O 2.86Å; C545-T658 VanDerWaalsContact SG-O 3.34Å
546H98.8Very high93.9Very high0 Ų033.8 Ų33.80%018%0.177CC..EExtended strand (participates in β ladder)trans-116.2147.6179.9-57.868.5000112.1T578 L580 H649 I650 E659 C660H546-T578 VanDerWaalsContact CA-O 3.26Å; H546-T578 WeakPolarHBondContact CA-O 3.43Å; H546-T578 VanDerWaalsContact CD2-CB 3.45Å; H546-T578 WeakPolarHBondContact CD2-CB 3.28Å; H546-L580 HydrophobicContact CB-CD1 4.49Å; H546-H649 AromaticContact CD2-CD2 3.8Å; H546-H649 AromaticContact NE2-CD2 3.62Å; H546-H649 AromaticContact NE2-NE2 3.76Å; H546-I650 HydrophobicContact CB-CD1 4.18Å; H546-I650 HydrophobicContact CB-CG1 3.92Å; H546-E659 WeakPolarHBondContact CA-OE2 3.3Å; H546-E659 WeakPolarHBondContact CB-OE2 3.33Å; H546-E659 IonicContact CG-OE2 3.38Å; H546-E659 PolarHBondContact N-OE2 3.44Å; H546-E659 IonicContact ND1-OE2 3.72Å; H546-E659 PolarHBondContact ND1-OE2 3.08Å; H546-C660 PolarHBondContact O-N 3.49Å
547V98.8Very high94.1Very high0 Ų034 Ų340%017%0.17CC..EExtended strand (participates in β ladder)trans-118.5112.3162.1176.30000107.8V549 I562 V576 T578 I579 L580 C660 V662 T687V547-V549 HydrophobicContact CG1-CG2 4.32Å; V547-I562 HydrophobicContact CB-CG1 4.38Å; V547-I562 HydrophobicContact CG1-CG1 3.82Å; V547-V576 HydrophobicContact CB-CG2 4.03Å; V547-V576 HydrophobicContact CG2-CB 3.99Å; V547-V576 HydrophobicContact CG2-CG2 3.62Å; V547-T578 PolarHBondContact N-O 2.78Å; V547-T578 VanDerWaalsContact N-O 3.12Å; V547-I579 CarbonylContact O-C 3.55Å; V547-I579 WeakPolarHBondContact O-CA 3.44Å; V547-L580 PolarHBondContact O-N 2.89Å; V547-C660 CarbonylContact C-O 3.59Å; V547-C660 WeakPolarHBondContact CA-O 3.38Å; V547-C660 HydrophobicContact CG2-CB 4.11Å; V547-V662 HydrophobicContact CG1-CG2 3.99Å; V547-T687 HydrophobicContact CG2-CG2 4.01Å
548Y98.8Very high94.4Very high0 Ų032.1 Ų32.10%016%0.158CC..EExtended strand (participates in β ladder)trans-88.7123.1170.2173.1-128.7000110.6D550 L580 H582 V640 V643 A646 C660 I661 V662 F672Y548-D550 HydrophobicContact CE1-CB 4.05Å; Y548-D550 PolarHBondContact OH-OD1 2.87Å; Y548-L580 CarbonylContact C-O 2.99Å; Y548-L580 WeakPolarHBondContact CA-O 3.42Å; Y548-L580 HydrophobicContact CD2-CB 3.98Å; Y548-L580 WeakPolarHBondContact CD2-O 3.34Å; Y548-H582 HydrophobicContact CE2-CB 4.33Å; Y548-V640 HydrophobicContact CD2-CG2 3.85Å; Y548-V640 HydrophobicContact CE2-CG2 3.47Å; Y548-V640 VanDerWaalsContact CE2-CG2 3.47Å; Y548-V643 HydrophobicContact CD1-CG2 4.4Å; Y548-V643 HydrophobicContact CE1-CB 3.9Å; Y548-V643 HydrophobicContact CE1-CG2 3.9Å; Y548-V643 PolarHBondContact OH-N 2.72Å; Y548-A646 HydrophobicContact CD1-CB 3.87Å; Y548-A646 HydrophobicContact CD2-CB 3.63Å; Y548-A646 HydrophobicContact CE1-CB 4.16Å; Y548-A646 HydrophobicContact CE2-CB 3.94Å; Y548-A646 HydrophobicContact CG-CB 3.6Å; Y548-C660 PolarHBondContact N-O 3.45Å; Y548-I661 HydrophobicContact CD1-CB 4.37Å; Y548-I661 HydrophobicContact CD1-CD1 3.66Å; Y548-I661 HydrophobicContact CD1-CG1 3.69Å; Y548-I661 HydrophobicContact CE1-CD1 3.84Å; Y548-I661 HydrophobicContact CE1-CG1 4.25Å; Y548-I661 CarbonylContact O-C 3.56Å; Y548-I661 WeakPolarHBondContact O-CA 3.32Å; Y548-V662 PolarHBondContact O-N 3.43Å; Y548-F672 HydrophobicContact CD1-CD2 4.18Å; Y548-F672 HydrophobicContact CD1-CE2 4.18Å
549V98.7Very high94.7Very high0 Ų032.1 Ų32.10%016%0.158CC..EExtended strand (participates in β ladder)trans-104.2109.3175.3-168.10000108.6V547 C553 A558 I562 I579 L580 L581 H582 L585 F591V547-V549 HydrophobicContact CG1-CG2 4.32Å; V549-C553 HydrophobicContact CG1-CB 3.92Å; V549-C553 WeakPolarHBondContact CG1-SG 3.35Å; V549-A558 HydrophobicContact CG1-CB 3.92Å; V549-I562 HydrophobicContact CG2-CD1 3.75Å; V549-I579 HydrophobicContact CG2-CG2 4.36Å; V549-L580 PolarHBondContact N-O 2.9Å; V549-L581 HydrophobicContact CB-CD2 3.68Å; V549-L581 HydrophobicContact CG1-CD2 4.47Å; V549-L581 HydrophobicContact CG2-CD2 3.57Å; V549-H582 WeakPolarHBondContact O-CB 3.42Å; V549-H582 PolarHBondContact O-N 2.65Å; V549-L585 HydrophobicContact CB-CD1 3.88Å; V549-L585 HydrophobicContact CG1-CD1 3.5Å; V549-L585 WeakPolarHBondContact O-CD1 3.46Å; V549-F591 HydrophobicContact CG1-CE1 4.31Å; V549-F591 HydrophobicContact CG1-CZ 3.96Å
550D98.4Very high95.2Very high4 Ų439.2 Ų39.22%0.02119%0.186CC..  trans-76.2160.7179.6-174.731.2000111.5Y548 D552 C553 V662 T663Y548-D550 HydrophobicContact CE1-CB 4.05Å; Y548-D550 PolarHBondContact OH-OD1 2.87Å; D550-D552 PolarHBondContact O-N 2.76Å; D550-C553 WeakPolarHBondContact O-CB 3.44Å; D550-C553 PolarHBondContact O-N 3.32Å; D550-C553 PolarHBondContact O-SG 2.83Å; D550-V662 WeakPolarHBondContact CB-O 3.14Å; D550-V662 PolarHBondContact N-O 2.92Å; D550-T663 WeakPolarHBondContact OD2-CB 3.42Å; D550-T663 PolarHBondContact OD2-OG1 3.44Å
551K96.1Very high95.9Very high103 Ų10338.4 Ų38.445%0.44818%0.182SC..THydrogen-bonded Turntrans-60.5-30.2177.166.6-173.3175.9-1730113.1C553 H582 S584K551-C553 VanDerWaalsContact C-N 3.29Å; K551-C553 PolarHBondContact O-N 3.5Å; K551-H582 HydrophobicContact CB-CB 4.34Å; K551-S584 WeakPolarHBondContact CB-OG 3.47Å
552D96.3Very high96.7Very high69 Ų6937 Ų3737%0.36917%0.173SC..THydrogen-bonded Turntrans-93.124.1-177-61.8-48.9000111.9D550 E664 K665D550-D552 PolarHBondContact O-N 2.76Å; D552-E664 WeakPolarHBondContact O-CB 3.3Å; D552-E664 PolarHBondContact O-N 2.83Å; D552-K665 HydrophobicContact CB-CB 4.05Å
553C96.4Very high97.2Very high12 Ų1235.4 Ų35.48%0.08117%0.166CC..  trans-78.6150.5-179.769.10000113.8V549 D550 K551 F555 V662V549-C553 HydrophobicContact CG1-CB 3.92Å; V549-C553 WeakPolarHBondContact CG1-SG 3.35Å; D550-C553 WeakPolarHBondContact O-CB 3.44Å; D550-C553 PolarHBondContact O-N 3.32Å; D550-C553 PolarHBondContact O-SG 2.83Å; K551-C553 VanDerWaalsContact C-N 3.29Å; K551-C553 PolarHBondContact O-N 3.5Å; C553-F555 PolarHBondContact O-N 3.25Å; C553-V662 HydrophobicContact CB-CG1 4.1Å; C553-V662 WeakPolarHBondContact CB-O 3.44Å
554D96.9Very high97.6Very high61 Ų6138.3 Ų38.333%0.32618%0.182SC..  trans-74.8119.4158.2178.5-61.1000109.6Q556 K557 A558 E664D554-Q556 VanDerWaalsContact C-N 3.33Å; D554-Q556 PolarHBondContact O-N 3.44Å; D554-Q556 WeakPolarHBondContact OD1-CA 3.5Å; D554-Q556 WeakPolarHBondContact OD1-CB 3.49Å; D554-Q556 PolarHBondContact OD1-N 3.25Å; D554-K557 HydrophobicContact CB-CB 3.98Å; D554-K557 HydrophobicContact CB-CD 3.79Å; D554-K557 HydrophobicContact CB-CG 3.85Å; D554-K557 PolarHBondContact O-N 3.19Å; D554-K557 PolarHBondContact OD1-N 3.11Å; D554-A558 WeakPolarHBondContact O-CB 3.49Å; D554-A558 PolarHBondContact O-N 3.12Å; D554-E664 HydrophobicContact CB-CG 4.29Å; D554-E664 WeakPolarHBondContact CB-OE1 3.43Å
555F95.2Very high97.8Very high68 Ų6838.2 Ų38.230%0.29818%0.181SC..Hα-helixtrans-61.8-37.1-174.5-65.1-10000113.7C553 I559 L585 N588 F591C553-F555 PolarHBondContact O-N 3.25Å; F555-I559 WeakPolarHBondContact O-CG1 3.37Å; F555-I559 PolarHBondContact O-N 3.08Å; F555-I559 VanDerWaalsContact O-N 3.14Å; F555-L585 HydrophobicContact CE1-CD2 3.95Å; F555-N588 WeakPolarHBondContact CZ-ND2 3.36Å; F555-F591 HydrophobicContact CB-CD2 3.75Å; F555-F591 HydrophobicContact CB-CE2 4.15Å; F555-F591 AromaticContact CD1-CD2 3.69Å; F555-F591 HydrophobicContact CD1-CD2 3.69Å; F555-F591 HydrophobicContact CD1-CE2 4.18Å; F555-F591 HydrophobicContact CD1-CG 4.25Å; F555-F591 HydrophobicContact CD2-CB 4.36Å; F555-F591 HydrophobicContact CD2-CD2 4.27Å; F555-F591 HydrophobicContact CE1-CD2 4.38Å; F555-F591 HydrophobicContact CE2-CB 4.35Å; F555-F591 HydrophobicContact CG-CB 4.48Å; F555-F591 AromaticContact CG-CD2 3.64Å; F555-F591 HydrophobicContact CG-CD2 3.64Å; F555-F591 HydrophobicContact CG-CE2 4.33Å; F555-F591 HydrophobicContact CG-CG 4.37Å; F555-F591 HydrophobicContact CZ-CB 4.47Å
556Q95.7Very high97.7Very high125 Ų12538.2 Ų38.258%0.58418%0.181SC*.Hα-helixtrans-73.6-40.9-179.7-66.6-60.5-40.700110.7D554 K560D554-Q556 VanDerWaalsContact C-N 3.33Å; D554-Q556 PolarHBondContact O-N 3.44Å; D554-Q556 WeakPolarHBondContact OD1-CA 3.5Å; D554-Q556 WeakPolarHBondContact OD1-CB 3.49Å; D554-Q556 PolarHBondContact OD1-N 3.25Å; Q556-K560 WeakPolarHBondContact O-CB 3.23Å; Q556-K560 PolarHBondContact O-N 2.88Å
557K97.4Very high97.5Very high86 Ų8639.5 Ų39.537%0.37419%0.19SC..Hα-helixtrans-60.7-46.7172.9-65.5-176.7-155.6167.40110.7D554 I559 K560 I561 E664D554-K557 HydrophobicContact CB-CB 3.98Å; D554-K557 HydrophobicContact CB-CD 3.79Å; D554-K557 HydrophobicContact CB-CG 3.85Å; D554-K557 PolarHBondContact O-N 3.19Å; D554-K557 PolarHBondContact OD1-N 3.11Å; K557-I559 PolarHBondContact O-N 3.37Å; K557-K560 PolarHBondContact O-N 3.49Å; K557-I561 HydrophobicContact CB-CD1 4.42Å; K557-I561 WeakPolarHBondContact O-CB 3.32Å; K557-I561 WeakPolarHBondContact O-CD1 3.24Å; K557-I561 VanDerWaalsContact O-CG1 3.23Å; K557-I561 WeakPolarHBondContact O-CG1 3.34Å; K557-I561 PolarHBondContact O-N 2.96Å; K557-E664 WeakPolarHBondContact CD-OE1 3.33Å; K557-E664 IonicContact NZ-OE1 2.78Å; K557-E664 PolarHBondContact NZ-OE1 3.44Å; K557-E664 IonicContact NZ-OE2 2.75Å; K557-E664 PolarHBondContact NZ-OE2 3.33Å
558A98.1Very high97.2Very high0 Ų043.6 Ų43.60%021%0.211CC..Hα-helixtrans-57.3-50.6179.900000112.2V549 D554 K560 I561 I562 F591 V662V549-A558 HydrophobicContact CG1-CB 3.92Å; D554-A558 WeakPolarHBondContact O-CB 3.49Å; D554-A558 PolarHBondContact O-N 3.12Å; A558-K560 PolarHBondContact O-N 3.03Å; A558-I561 PolarHBondContact O-N 3.02Å; A558-I562 WeakPolarHBondContact O-CB 3.44Å; A558-I562 WeakPolarHBondContact O-CD1 3.43Å; A558-I562 VanDerWaalsContact O-CG1 3.26Å; A558-I562 WeakPolarHBondContact O-CG1 3.41Å; A558-I562 PolarHBondContact O-N 2.62Å; A558-F591 HydrophobicContact CB-CE2 4.01Å; A558-F591 HydrophobicContact CB-CZ 4.07Å; A558-V662 HydrophobicContact CB-CB 4.44Å; A558-V662 HydrophobicContact CB-CG1 3.9Å
559I97.5Very high96.7Very high8 Ų848.1 Ų48.14%0.04123%0.229CC..Hα-helixtrans-61-46.9177.8-71.5165.4000110.9F555 K557 I561 I562 L563 F591 M594 Q598F555-I559 WeakPolarHBondContact O-CG1 3.37Å; F555-I559 PolarHBondContact O-N 3.08Å; F555-I559 VanDerWaalsContact O-N 3.14Å; K557-I559 PolarHBondContact O-N 3.37Å; I559-I561 VanDerWaalsContact C-N 3.33Å; I559-I561 PolarHBondContact O-N 3.21Å; I559-I562 PolarHBondContact O-N 3.05Å; I559-L563 HydrophobicContact CG2-CD1 3.72Å; I559-L563 HydrophobicContact CG2-CG 4.17Å; I559-L563 WeakPolarHBondContact O-CB 3.48Å; I559-L563 VanDerWaalsContact O-CG 3.25Å; I559-L563 WeakPolarHBondContact O-CG 3.38Å; I559-L563 PolarHBondContact O-N 3.49Å; I559-F591 HydrophobicContact CD1-CE2 4.37Å; I559-F591 HydrophobicContact CG1-CE2 4.1Å; I559-M594 HydrophobicContact CD1-CB 4.19Å; I559-M594 HydrophobicContact CD1-CE 3.58Å; I559-M594 HydrophobicContact CD1-CG 3.5Å; I559-M594 VanDerWaalsContact CD1-CG 3.5Å; I559-M594 HydrophobicContact CD1-SD 3.51Å; I559-M594 VanDerWaalsContact CD1-SD 3.51Å; I559-Q598 HydrophobicContact CG2-CB 4.2Å; I559-Q598 HydrophobicContact CG2-CG 3.96Å
560K98.5Very high96.1Very high161 Ų16149.3 Ų49.370%0.724%0.237SC*.Hα-helixtrans-58.4-46179.5-177.6-176.3177.9-175.90111.7Q556 K557 A558 D564Q556-K560 WeakPolarHBondContact O-CB 3.23Å; Q556-K560 PolarHBondContact O-N 2.88Å; K557-K560 PolarHBondContact O-N 3.49Å; A558-K560 PolarHBondContact O-N 3.03Å; K560-D564 WeakPolarHBondContact O-CB 3.27Å; K560-D564 PolarHBondContact O-N 2.81Å
561I98.7Very high95.5Very high15 Ų1550.8 Ų50.88%0.07725%0.25CC..Hα-helixtrans-64.7-45.7-179.4-70.9162.9000110.6K557 A558 I559 S565 V662 N684K557-I561 HydrophobicContact CB-CD1 4.42Å; K557-I561 WeakPolarHBondContact O-CB 3.32Å; K557-I561 WeakPolarHBondContact O-CD1 3.24Å; K557-I561 VanDerWaalsContact O-CG1 3.23Å; K557-I561 WeakPolarHBondContact O-CG1 3.34Å; K557-I561 PolarHBondContact O-N 2.96Å; A558-I561 PolarHBondContact O-N 3.02Å; I559-I561 VanDerWaalsContact C-N 3.33Å; I559-I561 PolarHBondContact O-N 3.21Å; I561-S565 WeakPolarHBondContact O-CB 3.46Å; I561-S565 PolarHBondContact O-N 3.28Å; I561-S565 PolarHBondContact O-OG 3.37Å; I561-V662 HydrophobicContact CB-CG2 4.35Å; I561-V662 HydrophobicContact CD1-CG1 4.14Å; I561-V662 HydrophobicContact CD1-CG2 3.91Å; I561-V662 HydrophobicContact CG2-CG2 4.05Å; I561-N684 HydrophobicContact CD1-CB 4.39Å; I561-N684 WeakPolarHBondContact CD1-O 3.47Å
562I98.7Very high95.1Very high0 Ų046.4 Ų46.40%023%0.233CC..Hα-helixtrans-62.4-48.1178.7-69.6164.3000111.2V547 V549 A558 I559 D564 S565 K566 I579 L595 L599V547-I562 HydrophobicContact CB-CG1 4.38Å; V547-I562 HydrophobicContact CG1-CG1 3.82Å; V549-I562 HydrophobicContact CG2-CD1 3.75Å; A558-I562 WeakPolarHBondContact O-CB 3.44Å; A558-I562 WeakPolarHBondContact O-CD1 3.43Å; A558-I562 VanDerWaalsContact O-CG1 3.26Å; A558-I562 WeakPolarHBondContact O-CG1 3.41Å; A558-I562 PolarHBondContact O-N 2.62Å; I559-I562 PolarHBondContact O-N 3.05Å; I562-D564 PolarHBondContact O-N 2.94Å; I562-S565 PolarHBondContact O-N 2.89Å; I562-K566 PolarHBondContact O-N 2.97Å; I562-I579 HydrophobicContact CD1-CG2 3.97Å; I562-I579 HydrophobicContact CG2-CD1 3.49Å; I562-I579 VanDerWaalsContact CG2-CD1 3.49Å; I562-I579 HydrophobicContact CG2-CG1 4.08Å; I562-L595 HydrophobicContact CB-CD1 4.45Å; I562-L595 HydrophobicContact CD1-CD1 3.82Å; I562-L595 HydrophobicContact CD1-CD2 4.3Å; I562-L595 HydrophobicContact CG2-CD1 4.05Å; I562-L599 HydrophobicContact CG2-CD2 4.29Å
563L98.4Very high94.9Very high29 Ų2944.8 Ų44.815%0.15223%0.226CC..Hα-helixtrans-61.9-44.2-179.3-70.7177.3000111.5I559 C567 Q598 L599I559-L563 HydrophobicContact CG2-CD1 3.72Å; I559-L563 HydrophobicContact CG2-CG 4.17Å; I559-L563 WeakPolarHBondContact O-CB 3.48Å; I559-L563 VanDerWaalsContact O-CG 3.25Å; I559-L563 WeakPolarHBondContact O-CG 3.38Å; I559-L563 PolarHBondContact O-N 3.49Å; L563-C567 WeakPolarHBondContact O-CA 3.42Å; L563-C567 WeakPolarHBondContact O-CB 3.35Å; L563-C567 PolarHBondContact O-N 2.94Å; L563-Q598 HydrophobicContact CD1-CB 4.01Å; L563-Q598 HydrophobicContact CD2-CB 4.12Å; L563-Q598 HydrophobicContact CG-CB 4.48Å; L563-L599 HydrophobicContact CD2-CD2 4.06Å; L563-L599 HydrophobicContact CD2-CG 4.49Å
564D98.5Very high94.8Very high62 Ų6244.4 Ų44.433%0.33222%0.224SC..Hα-helixtrans-65.2-43.5175.6-171.974.7000111K560 I562 K566 N568 S686 R688K560-D564 WeakPolarHBondContact O-CB 3.27Å; K560-D564 PolarHBondContact O-N 2.81Å; I562-D564 PolarHBondContact O-N 2.94Å; D564-K566 VanDerWaalsContact C-N 3.3Å; D564-K566 PolarHBondContact O-N 3.38Å; D564-N568 WeakPolarHBondContact O-CB 3.39Å; D564-N568 PolarHBondContact O-N 2.84Å; D564-S686 WeakPolarHBondContact OD2-CB 3.46Å; D564-S686 PolarHBondContact OD2-OG 2.88Å; D564-R688 WeakPolarHBondContact O-CG 3.27Å
565S98.5Very high94.7Very high0 Ų041.5 Ų41.50%021%0.208CC..Hα-helixtrans-60.2-35.3-179.4-60.90000113.2I561 I562 A575 V576 S686 T687I561-S565 WeakPolarHBondContact O-CB 3.46Å; I561-S565 PolarHBondContact O-N 3.28Å; I561-S565 PolarHBondContact O-OG 3.37Å; I562-S565 PolarHBondContact O-N 2.89Å; S565-A575 VanDerWaalsContact O-CA 3.23Å; S565-A575 WeakPolarHBondContact O-CA 3.43Å; S565-V576 PolarHBondContact O-N 3.18Å; S565-S686 PolarHBondContact N-OG 3.45Å; S565-S686 WeakPolarHBondContact OG-CA 3.24Å; S565-S686 PolarHBondContact OG-OG 3.4Å; S565-T687 WeakPolarHBondContact CB-OG1 3.48Å; S565-T687 PolarHBondContact OG-N 3.42Å; S565-T687 VanDerWaalsContact OG-N 3.08Å
566K96.5Very high94.9Very high0 Ų038.3 Ų38.30%019%0.194CC..Hα-helixtrans-96-51.1179.6-179.570-85.2174.50112.9I562 D564 P570 V576 E577 T604 G632 A634 C635I562-K566 PolarHBondContact O-N 2.97Å; D564-K566 VanDerWaalsContact C-N 3.3Å; D564-K566 PolarHBondContact O-N 3.38Å; K566-P570 WeakPolarHBondContact O-CA 3.45Å; K566-P570 WeakPolarHBondContact O-CG 3.5Å; K566-V576 HydrophobicContact CB-CG1 3.62Å; K566-V576 HydrophobicContact CD-CG1 4.46Å; K566-V576 VanDerWaalsContact CD-O 3.23Å; K566-V576 WeakPolarHBondContact CD-O 3.29Å; K566-V576 VanDerWaalsContact CE-O 3.3Å; K566-V576 WeakPolarHBondContact CE-O 3.47Å; K566-V576 PolarHBondContact NZ-O 3.31Å; K566-E577 VanDerWaalsContact NZ-CD 3.34Å; K566-E577 IonicContact NZ-OE1 3.7Å; K566-E577 PolarHBondContact NZ-OE1 3.11Å; K566-E577 IonicContact NZ-OE2 2.68Å; K566-E577 PolarHBondContact NZ-OE2 3.44Å; K566-T604 HydrophobicContact CD-CG2 4.49Å; K566-T604 HydrophobicContact CG-CG2 3.98Å; K566-G632 WeakPolarHBondContact CE-O 3.48Å; K566-G632 PolarHBondContact NZ-O 3.4Å; K566-G632 VanDerWaalsContact NZ-O 3.15Å; K566-A634 WeakPolarHBondContact CD-O 3.21Å; K566-A634 PolarHBondContact NZ-O 3.07Å; K566-C635 HydrophobicContact CD-CB 4.08Å
567C94.9Very high94.9Very high27 Ų2732.3 Ų32.318%0.18217%0.166CC..Hα-helixtrans-89.7-19.5-161.5-52.50000113.3L563 N602 T604 L633L563-C567 WeakPolarHBondContact O-CA 3.42Å; L563-C567 WeakPolarHBondContact O-CB 3.35Å; L563-C567 PolarHBondContact O-N 2.94Å; C567-N602 HydrophobicContact CB-CB 4.39Å; C567-T604 PolarHBondContact SG-OG1 3.39Å; C567-L633 HydrophobicContact CB-CD2 4.25Å
568N92.6Very high95Very high85 Ų8528.2 Ų28.246%0.45515%0.148SC..SBendtrans-60.5-50.8-179.2176.6-94.6000112.5D564 R688D564-N568 WeakPolarHBondContact O-CB 3.39Å; D564-N568 PolarHBondContact O-N 2.84Å; N568-R688 HydrophobicContact CB-CG 4.37Å; N568-R688 PolarHBondContact OD1-NE 3.33Å; N568-R688 PolarHBondContact OD1-NH2 2.82Å
569Y88.7Confident95Very high96 Ų9628.2 Ų28.238%0.37615%0.148SC..  trans-151.184.5175.5-172.5-153000110.2A571 A572Y569-A571 HydrophobicContact CE2-CB 4.24Å; Y569-A571 PolarHBondContact O-N 2.85Å; Y569-A571 VanDerWaalsContact O-N 3.13Å; Y569-A572 HydrophobicContact CD1-CB 3.69Å; Y569-A572 HydrophobicContact CE1-CB 4.19Å; Y569-A572 HydrophobicContact CG-CB 4.24Å; Y569-A572 WeakPolarHBondContact O-CB 3.08Å; Y569-A572 PolarHBondContact O-N 2.84Å; Y569-A572 VanDerWaalsContact O-N 3.13Å
570P86.8Confident95.1Very high24 Ų2427.9 Ų27.916%0.15615%0.146CC..THydrogen-bonded Turntrans-66-19.1-167-20.430.1000115.5K566 A572 G631 G632 L633K566-P570 WeakPolarHBondContact O-CA 3.45Å; K566-P570 WeakPolarHBondContact O-CG 3.5Å; P570-A572 VanDerWaalsContact C-N 3.34Å; P570-G631 CarbonylContact O-C 3.53Å; P570-G631 VanDerWaalsContact O-C 3.24Å; P570-G632 WeakPolarHBondContact CB-O 3.31Å; P570-G632 PolarHBondContact O-N 2.91Å; P570-L633 HydrophobicContact CB-CD2 4.23Å; P570-L633 HydrophobicContact CB-CG 4.37Å; P570-L633 HydrophobicContact CG-CD2 3.41Å; P570-L633 VanDerWaalsContact CG-CD2 3.41Å; P570-L633 HydrophobicContact CG-CG 3.77Å
571A84.1Confident95.1Very high35 Ų3520.2 Ų20.229%0.28911%0.113SC..THydrogen-bonded Turntrans-88.50.4179.700000113.4Y569 G631Y569-A571 HydrophobicContact CE2-CB 4.24Å; Y569-A571 PolarHBondContact O-N 2.85Å; Y569-A571 VanDerWaalsContact O-N 3.13Å; A571-G631 WeakPolarHBondContact CA-O 3.36Å
572A88.7Confident95Very high12 Ų1220.2 Ų20.210%0.09911%0.113CC..SBendtrans-81.8146.717600000111.4Y569 P570 N574 A575Y569-A572 HydrophobicContact CD1-CB 3.69Å; Y569-A572 HydrophobicContact CE1-CB 4.19Å; Y569-A572 HydrophobicContact CG-CB 4.24Å; Y569-A572 WeakPolarHBondContact O-CB 3.08Å; Y569-A572 PolarHBondContact O-N 2.84Å; Y569-A572 VanDerWaalsContact O-N 3.13Å; P570-A572 VanDerWaalsContact C-N 3.34Å; A572-N574 WeakPolarHBondContact CB-OD1 3.18Å; A572-N574 PolarHBondContact O-N 2.82Å; A572-A575 VanDerWaalsContact O-CB 3.22Å; A572-A575 WeakPolarHBondContact O-CB 3.27Å; A572-A575 PolarHBondContact O-N 2.88Å
573C91.4Very high94.9Very high34 Ų3423.4 Ų23.423%0.2313%0.128CC..THydrogen-bonded Turntrans-67.6-18179.954.40000115.2H540 G543 C545 H657H540-C573 WeakPolarHBondContact CE1-CB 3.49Å; G543-C573 CarbonylContact C-O 3.57Å; G543-C573 VanDerWaalsContact C-O 3.31Å; G543-C573 WeakPolarHBondContact CA-O 3.38Å; G543-C573 VanDerWaalsContact O-O 3.09Å; C545-C573 PolarHBondContact SG-O 3.42Å; C545-C573 VanDerWaalsContact SG-O 3.34Å; C573-H657 PolarHBondContact SG-NE2 3.41Å
574N94.7Very high94.7Very high5 Ų523.8 Ų23.83%0.02713%0.133CC..THydrogen-bonded Turntrans-96.49.6174.764.80.1000112.2A572 T687 R688 S690A572-N574 WeakPolarHBondContact CB-OD1 3.18Å; A572-N574 PolarHBondContact O-N 2.82Å; N574-T687 CarbonylContact O-C 3.59Å; N574-T687 VanDerWaalsContact O-CB 3.26Å; N574-T687 WeakPolarHBondContact O-CB 3.18Å; N574-T687 PolarHBondContact O-OG1 3.41Å; N574-R688 PolarHBondContact ND2-NH1 3.25Å; N574-R688 PolarHBondContact OD1-NH1 3.48Å; N574-S690 PolarHBondContact ND2-O 3.4Å
575A95.5Very high94.4Very high0 Ų021 Ų210%012%0.118CC..SBendtrans-71.3141.5170.800000109.3C545 S565 A572 E577C545-A575 WeakPolarHBondContact CB-O 3.4Å; S565-A575 VanDerWaalsContact O-CA 3.23Å; S565-A575 WeakPolarHBondContact O-CA 3.43Å; A572-A575 VanDerWaalsContact O-CB 3.22Å; A572-A575 WeakPolarHBondContact O-CB 3.27Å; A572-A575 PolarHBondContact O-N 2.88Å; A575-E577 PolarHBondContact O-N 3.47Å
576V98Very high94Very high0 Ų022.1 Ų22.10%012%0.124CC..EExtended strand (participates in β ladder)trans-65.6136.5175.868.80000109.8C545 V547 S565 K566 T578 I579C545-V576 WeakPolarHBondContact O-CG2 3.43Å; V547-V576 HydrophobicContact CB-CG2 4.03Å; V547-V576 HydrophobicContact CG2-CB 3.99Å; V547-V576 HydrophobicContact CG2-CG2 3.62Å; S565-V576 PolarHBondContact O-N 3.18Å; K566-V576 HydrophobicContact CB-CG1 3.62Å; K566-V576 HydrophobicContact CD-CG1 4.46Å; K566-V576 VanDerWaalsContact CD-O 3.23Å; K566-V576 WeakPolarHBondContact CD-O 3.29Å; K566-V576 VanDerWaalsContact CE-O 3.3Å; K566-V576 WeakPolarHBondContact CE-O 3.47Å; K566-V576 PolarHBondContact NZ-O 3.31Å; V576-T578 VanDerWaalsContact CG2-O 3.3Å; V576-T578 WeakPolarHBondContact CG2-O 3.27Å; V576-I579 HydrophobicContact CG2-CG1 4.42Å
577E97.3Very high93.4Very high0 Ų028.6 Ų28.60%015%0.154CC..EExtended strand (participates in β ladder)trans-112.9-30.1177.6-62-59.6152.500111.2I544 C545 K566 A575 K628 E629 Y630 C635 T636I544-E577 HydrophobicContact CG2-CB 4.24Å; C545-E577 PolarHBondContact O-N 2.88Å; K566-E577 VanDerWaalsContact NZ-CD 3.34Å; K566-E577 IonicContact NZ-OE1 3.7Å; K566-E577 PolarHBondContact NZ-OE1 3.11Å; K566-E577 IonicContact NZ-OE2 2.68Å; K566-E577 PolarHBondContact NZ-OE2 3.44Å; A575-E577 PolarHBondContact O-N 3.47Å; E577-K628 WeakPolarHBondContact CB-O 3.03Å; E577-E629 HydrophobicContact CG-CB 4.48Å; E577-E629 HydrophobicContact CG-CG 4.15Å; E577-Y630 WeakPolarHBondContact OE2-CA 2.98Å; E577-Y630 VanDerWaalsContact OE2-CB 3.26Å; E577-Y630 WeakPolarHBondContact OE2-CB 3.38Å; E577-Y630 VanDerWaalsContact OE2-CD2 3.28Å; E577-Y630 WeakPolarHBondContact OE2-CD2 3.35Å; E577-Y630 PolarHBondContact OE2-N 2.71Å; E577-C635 CarbonylContact O-C 3.39Å; E577-C635 VanDerWaalsContact O-CA 3.28Å; E577-C635 WeakPolarHBondContact O-CA 3.44Å; E577-C635 WeakPolarHBondContact O-CB 3.36Å; E577-T636 PolarHBondContact O-N 3.35Å
578T98.5Very high92.6Very high0 Ų030.3 Ų30.30%016%0.161CC..EExtended strand (participates in β ladder)trans-130.8128.8178-59.80000111.6C545 H546 V547 V576 L580 T636C545-T578 PolarHBondContact O-N 3.46Å; H546-T578 VanDerWaalsContact CA-O 3.26Å; H546-T578 WeakPolarHBondContact CA-O 3.43Å; H546-T578 VanDerWaalsContact CD2-CB 3.45Å; H546-T578 WeakPolarHBondContact CD2-CB 3.28Å; V547-T578 PolarHBondContact N-O 2.78Å; V547-T578 VanDerWaalsContact N-O 3.12Å; V576-T578 VanDerWaalsContact CG2-O 3.3Å; V576-T578 WeakPolarHBondContact CG2-O 3.27Å; T578-L580 HydrophobicContact CG2-CD2 3.78Å; T578-L580 HydrophobicContact CG2-CG 4.33Å; T578-T636 CarbonylContact C-O 3.54Å; T578-T636 WeakPolarHBondContact CA-O 3.34Å; T578-T636 HydrophobicContact CG2-CG2 4.37Å
579I98.7Very high91.7Very high0 Ų031.2 Ų31.20%017%0.166CC..EExtended strand (participates in β ladder)trans-102.4117.4173.5-57.7159.8000107.6V547 V549 I562 V576 L581 L599 T636 I637 E638V547-I579 CarbonylContact O-C 3.55Å; V547-I579 WeakPolarHBondContact O-CA 3.44Å; V549-I579 HydrophobicContact CG2-CG2 4.36Å; I562-I579 HydrophobicContact CD1-CG2 3.97Å; I562-I579 HydrophobicContact CG2-CD1 3.49Å; I562-I579 VanDerWaalsContact CG2-CD1 3.49Å; I562-I579 HydrophobicContact CG2-CG1 4.08Å; V576-I579 HydrophobicContact CG2-CG1 4.42Å; I579-L581 HydrophobicContact CG2-CD2 3.71Å; I579-L581 HydrophobicContact CG2-CG 4.21Å; I579-L599 HydrophobicContact CD1-CD1 4.06Å; I579-T636 PolarHBondContact N-O 3.2Å; I579-I637 HydrophobicContact CB-CG1 4.27Å; I579-I637 HydrophobicContact CD1-CG1 4.14Å; I579-I637 WeakPolarHBondContact O-CA 3.34Å; I579-E638 PolarHBondContact O-N 3.33Å
580L98.8Very high91.7Very high0 Ų034.9 Ų34.90%018%0.184CC..EExtended strand (participates in β ladder)trans-96.6120175.9-58.2177.2000108.6H546 V547 Y548 V549 T578 E638 V640 A646 H649 I650H546-L580 HydrophobicContact CB-CD1 4.49Å; V547-L580 PolarHBondContact O-N 2.89Å; Y548-L580 CarbonylContact C-O 2.99Å; Y548-L580 WeakPolarHBondContact CA-O 3.42Å; Y548-L580 HydrophobicContact CD2-CB 3.98Å; Y548-L580 WeakPolarHBondContact CD2-O 3.34Å; V549-L580 PolarHBondContact N-O 2.9Å; T578-L580 HydrophobicContact CG2-CD2 3.78Å; T578-L580 HydrophobicContact CG2-CG 4.33Å; L580-E638 CarbonylContact C-O 3.54Å; L580-E638 WeakPolarHBondContact CA-O 3.32Å; L580-E638 HydrophobicContact CD2-CB 4.02Å; L580-E638 HydrophobicContact CD2-CG 4.49Å; L580-V640 HydrophobicContact CB-CG1 4.37Å; L580-V640 HydrophobicContact CB-CG2 4.25Å; L580-V640 HydrophobicContact CD2-CG1 4.16Å; L580-A646 HydrophobicContact CD1-CB 4.17Å; L580-H649 HydrophobicContact CD1-CB 4.03Å; L580-I650 HydrophobicContact CD1-CD1 4.4Å; L580-I650 HydrophobicContact CD1-CG1 4.09Å
581L98.4Very high91.9Very high0 Ų033.7 Ų33.70%018%0.177CC..EExtended strand (participates in β ladder)trans-107132.8177.9-58.9-178.1000109.9V549 I579 Q583 F591 F592 L595 I637 E638 L639 V640V549-L581 HydrophobicContact CB-CD2 3.68Å; V549-L581 HydrophobicContact CG1-CD2 4.47Å; V549-L581 HydrophobicContact CG2-CD2 3.57Å; I579-L581 HydrophobicContact CG2-CD2 3.71Å; I579-L581 HydrophobicContact CG2-CG 4.21Å; L581-Q583 PolarHBondContact O-N 3.25Å; L581-F591 HydrophobicContact CD2-CE1 4.09Å; L581-F592 HydrophobicContact CD1-CD2 3.84Å; L581-F592 HydrophobicContact CD1-CE2 4.21Å; L581-L595 HydrophobicContact CD1-CD2 4.12Å; L581-L595 HydrophobicContact CD2-CD2 4.16Å; L581-I637 HydrophobicContact CD1-CG2 3.62Å; L581-I637 HydrophobicContact CG-CG2 3.94Å; L581-E638 PolarHBondContact N-O 2.73Å; L581-L639 HydrophobicContact CB-CD2 4.08Å; L581-L639 WeakPolarHBondContact O-CA 3.2Å; L581-V640 PolarHBondContact O-N 3.36Å
582H98Very high92.3Very high16 Ų1632.5 Ų32.57%0.07417%0.165CC..EExtended strand (participates in β ladder)trans-58.6131.7165.2-173.1-76.7000109.6Y548 V549 K551 S584 L585 V640 A641Y548-H582 HydrophobicContact CE2-CB 4.33Å; V549-H582 WeakPolarHBondContact O-CB 3.42Å; V549-H582 PolarHBondContact O-N 2.65Å; K551-H582 HydrophobicContact CB-CB 4.34Å; H582-S584 PolarHBondContact CE1-OG 3.48Å; H582-S584 PolarHBondContact ND1-N 3.46Å; H582-S584 PolarHBondContact ND1-OG 2.62Å; H582-S584 PolarHBondContact O-N 2.94Å; H582-L585 HydrophobicContact CB-CD1 4.32Å; H582-L585 HydrophobicContact CB-CG 4.38Å; H582-L585 VanDerWaalsContact O-CB 3.29Å; H582-L585 WeakPolarHBondContact O-CB 3.47Å; H582-L585 PolarHBondContact O-N 3.45Å; H582-V640 WeakPolarHBondContact CA-O 3.44Å; H582-A641 PolarHBondContact CD2-O 2.95Å; H582-A641 PolarHBondContact NE2-O 3.43Å
583Q95.6Very high92.4Very high66 Ų6636.2 Ų36.231%0.30818%0.183SC..THydrogen-bonded Turntrans-50.8-35.1-173.658.9-178.2-11.900115.1L581 L585 L586 V640L581-Q583 PolarHBondContact O-N 3.25Å; Q583-L585 PolarHBondContact O-N 2.93Å; Q583-L586 WeakPolarHBondContact O-CB 3.27Å; Q583-L586 PolarHBondContact O-N 2.92Å; Q583-L586 VanDerWaalsContact O-N 3.11Å; Q583-V640 PolarHBondContact N-O 3.41Å
584S93.8Very high92.6Very high37 Ų3737.2 Ų37.226%0.25919%0.185SC..Hα-helixtrans-64.7-21.1177.666.20000113.9K551 H582 L586 E587 N588K551-S584 WeakPolarHBondContact CB-OG 3.47Å; H582-S584 PolarHBondContact CE1-OG 3.48Å; H582-S584 PolarHBondContact ND1-N 3.46Å; H582-S584 PolarHBondContact ND1-OG 2.62Å; H582-S584 PolarHBondContact O-N 2.94Å; S584-L586 VanDerWaalsContact C-N 3.28Å; S584-E587 PolarHBondContact O-N 2.98Å; S584-N588 PolarHBondContact O-N 3.43Å
585L93.3Very high92.6Very high4 Ų437 Ų372%0.02118%0.184CC..Hα-helixtrans-72.8-24.5175.9-62.5175.9000111.9V549 F555 H582 Q583 N588 F591V549-L585 HydrophobicContact CB-CD1 3.88Å; V549-L585 HydrophobicContact CG1-CD1 3.5Å; V549-L585 WeakPolarHBondContact O-CD1 3.46Å; F555-L585 HydrophobicContact CE1-CD2 3.95Å; H582-L585 HydrophobicContact CB-CD1 4.32Å; H582-L585 HydrophobicContact CB-CG 4.38Å; H582-L585 VanDerWaalsContact O-CB 3.29Å; H582-L585 WeakPolarHBondContact O-CB 3.47Å; H582-L585 PolarHBondContact O-N 3.45Å; Q583-L585 PolarHBondContact O-N 2.93Å; L585-N588 CarbonylContact O-C 3.5Å; L585-N588 VanDerWaalsContact O-O 3.12Å; L585-F591 HydrophobicContact CB-CD1 3.96Å; L585-F591 HydrophobicContact CB-CE1 4.34Å; L585-F591 HydrophobicContact CD1-CD1 4.4Å; L585-F591 HydrophobicContact CD1-CE1 4.06Å; L585-F591 HydrophobicContact CD2-CD1 4.45Å
586L89.5Confident92.6Very high23 Ų2337.5 Ų37.512%0.1219%0.187CC..Hα-helixtrans-73.5-37.8171.6-17665000111.1Q583 S584 N588 N589 F592 L612 R615 L639Q583-L586 WeakPolarHBondContact O-CB 3.27Å; Q583-L586 PolarHBondContact O-N 2.92Å; Q583-L586 VanDerWaalsContact O-N 3.11Å; S584-L586 VanDerWaalsContact C-N 3.28Å; L586-N588 PolarHBondContact O-N 3.04Å; L586-N589 PolarHBondContact O-OD1 3.3Å; L586-F592 HydrophobicContact CD1-CB 4.18Å; L586-F592 HydrophobicContact CD1-CD1 3.78Å; L586-F592 HydrophobicContact CD1-CD2 3.83Å; L586-F592 HydrophobicContact CD1-CE1 4.08Å; L586-F592 HydrophobicContact CD1-CE2 4.13Å; L586-F592 HydrophobicContact CD1-CG 3.64Å; L586-F592 HydrophobicContact CD1-CZ 4.25Å; L586-L612 HydrophobicContact CD1-CD1 4.19Å; L586-L612 HydrophobicContact CD2-CD1 4.09Å; L586-R615 HydrophobicContact CD2-CB 3.59Å; L586-R615 HydrophobicContact CD2-CG 4.36Å; L586-L639 HydrophobicContact CB-CD2 4.11Å; L586-L639 HydrophobicContact CD2-CD1 3.57Å; L586-L639 HydrophobicContact CD2-CD2 4.31Å
587E85Confident92.4Very high137 Ų13740.9 Ų40.964%0.6421%0.208SC*.Hα-helixtrans-61.6-28175.5-60.6173176.200111.3S584 N589S584-E587 PolarHBondContact O-N 2.98Å; E587-N589 PolarHBondContact O-N 3.26Å
588N77.1Confident92.4Very high63 Ų6344.1 Ų44.134%0.33722%0.223SC..SBendtrans-86.876.5168-167.6-14.8000111.5F555 S584 L585 L586 K590 F591F555-N588 WeakPolarHBondContact CZ-ND2 3.36Å; S584-N588 PolarHBondContact O-N 3.43Å; L585-N588 CarbonylContact O-C 3.5Å; L585-N588 VanDerWaalsContact O-O 3.12Å; L586-N588 PolarHBondContact O-N 3.04Å; N588-K590 PolarHBondContact O-N 2.77Å; N588-F591 PolarHBondContact O-N 3.04Å
589N74.7Confident92.4Very high104 Ų10444.1 Ų44.156%0.55622%0.223SC*.Hα-helixtrans-43.7-34.9-177.9-72.5-19.2000114.2L586 E587 F591 F592 D593L586-N589 PolarHBondContact O-OD1 3.3Å; E587-N589 PolarHBondContact O-N 3.26Å; N589-F591 PolarHBondContact O-N 2.89Å; N589-F592 PolarHBondContact O-N 3.05Å; N589-D593 WeakPolarHBondContact O-CB 3.36Å; N589-D593 PolarHBondContact O-N 2.9Å
590K86.8Confident92.2Very high172 Ų17250.9 Ų50.975%0.74825%0.252SS*.Hα-helixtrans-60.1-41.1-179.3-66.9-175.7-179.31790113.3N588 M594N588-K590 PolarHBondContact O-N 2.77Å; K590-M594 WeakPolarHBondContact O-CB 3.32Å; K590-M594 PolarHBondContact O-N 2.65Å
591F92.2Very high92Very high0 Ų056.1 Ų56.10%028%0.28CS..Hα-helixtrans-70.6-50.3-179.3173.6-100.5000110.6V549 F555 A558 I559 L581 L585 N588 N589 D593 M594 L595V549-F591 HydrophobicContact CG1-CE1 4.31Å; V549-F591 HydrophobicContact CG1-CZ 3.96Å; F555-F591 HydrophobicContact CB-CD2 3.75Å; F555-F591 HydrophobicContact CB-CE2 4.15Å; F555-F591 AromaticContact CD1-CD2 3.69Å; F555-F591 HydrophobicContact CD1-CD2 3.69Å; F555-F591 HydrophobicContact CD1-CE2 4.18Å; F555-F591 HydrophobicContact CD1-CG 4.25Å; F555-F591 HydrophobicContact CD2-CB 4.36Å; F555-F591 HydrophobicContact CD2-CD2 4.27Å; F555-F591 HydrophobicContact CE1-CD2 4.38Å; F555-F591 HydrophobicContact CE2-CB 4.35Å; F555-F591 HydrophobicContact CG-CB 4.48Å; F555-F591 AromaticContact CG-CD2 3.64Å; F555-F591 HydrophobicContact CG-CD2 3.64Å; F555-F591 HydrophobicContact CG-CE2 4.33Å; F555-F591 HydrophobicContact CG-CG 4.37Å; F555-F591 HydrophobicContact CZ-CB 4.47Å; A558-F591 HydrophobicContact CB-CE2 4.01Å; A558-F591 HydrophobicContact CB-CZ 4.07Å; I559-F591 HydrophobicContact CD1-CE2 4.37Å; I559-F591 HydrophobicContact CG1-CE2 4.1Å; L581-F591 HydrophobicContact CD2-CE1 4.09Å; L585-F591 HydrophobicContact CB-CD1 3.96Å; L585-F591 HydrophobicContact CB-CE1 4.34Å; L585-F591 HydrophobicContact CD1-CD1 4.4Å; L585-F591 HydrophobicContact CD1-CE1 4.06Å; L585-F591 HydrophobicContact CD2-CD1 4.45Å; N588-F591 PolarHBondContact O-N 3.04Å; N589-F591 PolarHBondContact O-N 2.89Å; F591-D593 PolarHBondContact O-N 3.1Å; F591-M594 PolarHBondContact O-N 2.75Å; F591-L595 HydrophobicContact CE1-CD2 4.35Å; F591-L595 WeakPolarHBondContact O-CB 3.44Å; F591-L595 PolarHBondContact O-N 3.3Å
592F92.3Very high91.8Very high9 Ų959.3 Ų59.34%0.03930%0.298CS..Hα-helixtrans-61.8-44.5-178.7-177.9-99.4000112.4L581 L586 N589 M594 L595 C596 L612 M616 I637L581-F592 HydrophobicContact CD1-CD2 3.84Å; L581-F592 HydrophobicContact CD1-CE2 4.21Å; L586-F592 HydrophobicContact CD1-CB 4.18Å; L586-F592 HydrophobicContact CD1-CD1 3.78Å; L586-F592 HydrophobicContact CD1-CD2 3.83Å; L586-F592 HydrophobicContact CD1-CE1 4.08Å; L586-F592 HydrophobicContact CD1-CE2 4.13Å; L586-F592 HydrophobicContact CD1-CG 3.64Å; L586-F592 HydrophobicContact CD1-CZ 4.25Å; N589-F592 PolarHBondContact O-N 3.05Å; F592-M594 VanDerWaalsContact C-N 3.33Å; F592-M594 PolarHBondContact O-N 3.31Å; F592-L595 PolarHBondContact O-N 3.45Å; F592-C596 VanDerWaalsContact CZ-SG 3.58Å; F592-C596 WeakPolarHBondContact O-CB 3.4Å; F592-C596 PolarHBondContact O-N 3.21Å; F592-C596 PolarHBondContact O-SG 3.24Å; F592-L612 HydrophobicContact CE2-CD1 3.9Å; F592-L612 HydrophobicContact CE2-CD2 4.21Å; F592-L612 HydrophobicContact CZ-CD1 3.99Å; F592-L612 HydrophobicContact CZ-CD2 4.22Å; F592-M616 HydrophobicContact CE1-CE 3.61Å; F592-M616 HydrophobicContact CE1-SD 3.83Å; F592-M616 HydrophobicContact CZ-CE 4.04Å; F592-M616 HydrophobicContact CZ-SD 3.69Å; F592-I637 HydrophobicContact CE2-CG2 4.39Å
593D91.7Very high91.6Very high91 Ų9168.9 Ų68.949%0.48733%0.333SS..Hα-helixtrans-62.5-41.6177.2-71.8-21.8000111.5N589 F591 C596 T597N589-D593 WeakPolarHBondContact O-CB 3.36Å; N589-D593 PolarHBondContact O-N 2.9Å; F591-D593 PolarHBondContact O-N 3.1Å; D593-C596 PolarHBondContact O-N 3.21Å; D593-T597 VanDerWaalsContact O-CB 3.29Å; D593-T597 WeakPolarHBondContact O-CB 3.36Å; D593-T597 PolarHBondContact O-N 3.4Å; D593-T597 PolarHBondContact O-OG1 3.21Å
594M94.1Very high91.5Very high54 Ų5466 Ų6627%0.26632%0.32SS..Hα-helixtrans-65.7-45.5177.9-176.4176.828.900111.3I559 K590 F591 F592 T597 Q598I559-M594 HydrophobicContact CD1-CB 4.19Å; I559-M594 HydrophobicContact CD1-CE 3.58Å; I559-M594 HydrophobicContact CD1-CG 3.5Å; I559-M594 VanDerWaalsContact CD1-CG 3.5Å; I559-M594 HydrophobicContact CD1-SD 3.51Å; I559-M594 VanDerWaalsContact CD1-SD 3.51Å; K590-M594 WeakPolarHBondContact O-CB 3.32Å; K590-M594 PolarHBondContact O-N 2.65Å; F591-M594 PolarHBondContact O-N 2.75Å; F592-M594 VanDerWaalsContact C-N 3.33Å; F592-M594 PolarHBondContact O-N 3.31Å; M594-T597 PolarHBondContact O-N 2.95Å; M594-Q598 WeakPolarHBondContact O-CB 3.37Å; M594-Q598 VanDerWaalsContact O-CG 3.27Å; M594-Q598 WeakPolarHBondContact O-CG 3.42Å; M594-Q598 PolarHBondContact O-N 3.49Å
595L95.6Very high91.6Very high0 Ų066.2 Ų66.20%032%0.324CS..Hα-helixtrans-57.8-50.3175174.761.2000111.2I562 L581 F591 F592 T597 Q598 L599 I637I562-L595 HydrophobicContact CB-CD1 4.45Å; I562-L595 HydrophobicContact CD1-CD1 3.82Å; I562-L595 HydrophobicContact CD1-CD2 4.3Å; I562-L595 HydrophobicContact CG2-CD1 4.05Å; L581-L595 HydrophobicContact CD1-CD2 4.12Å; L581-L595 HydrophobicContact CD2-CD2 4.16Å; F591-L595 HydrophobicContact CE1-CD2 4.35Å; F591-L595 WeakPolarHBondContact O-CB 3.44Å; F591-L595 PolarHBondContact O-N 3.3Å; F592-L595 PolarHBondContact O-N 3.45Å; L595-T597 VanDerWaalsContact C-N 3.31Å; L595-T597 PolarHBondContact O-N 3.48Å; L595-Q598 PolarHBondContact O-N 3.11Å; L595-L599 HydrophobicContact CD1-CD1 3.95Å; L595-L599 HydrophobicContact CD1-CG 4.22Å; L595-L599 HydrophobicContact CG-CD1 4.07Å; L595-L599 WeakPolarHBondContact O-CG 3.46Å; L595-L599 PolarHBondContact O-N 3.25Å; L595-I637 HydrophobicContact CD2-CD1 4.41Å
596C94.4Very high91.7Very high12 Ų1266.8 Ų66.88%0.08133%0.327CS..Hα-helixtrans-61-40.8179-71.20000112.1F592 D593 K600 I606F592-C596 VanDerWaalsContact CZ-SG 3.58Å; F592-C596 WeakPolarHBondContact O-CB 3.4Å; F592-C596 PolarHBondContact O-N 3.21Å; F592-C596 PolarHBondContact O-SG 3.24Å; D593-C596 PolarHBondContact O-N 3.21Å; C596-K600 WeakPolarHBondContact O-CB 3.22Å; C596-K600 VanDerWaalsContact O-CG 3.24Å; C596-K600 WeakPolarHBondContact O-CG 3.25Å; C596-K600 PolarHBondContact O-N 2.94Å; C596-I606 HydrophobicContact CB-CD1 4.1Å
597T95.4Very high92.1Very high70 Ų7069.2 Ų69.243%0.42934%0.335SS..Hα-helixtrans-63.5-45.1177.3-60.70000111D593 M594 L595 K600 N601D593-T597 VanDerWaalsContact O-CB 3.29Å; D593-T597 WeakPolarHBondContact O-CB 3.36Å; D593-T597 PolarHBondContact O-N 3.4Å; D593-T597 PolarHBondContact O-OG1 3.21Å; M594-T597 PolarHBondContact O-N 2.95Å; L595-T597 VanDerWaalsContact C-N 3.31Å; L595-T597 PolarHBondContact O-N 3.48Å; T597-K600 PolarHBondContact O-N 3.36Å; T597-N601 WeakPolarHBondContact O-CB 3.39Å; T597-N601 PolarHBondContact O-N 3.21Å; T597-N601 PolarHBondContact O-ND2 2.93Å; T597-N601 PolarHBondContact O-OD1 3.3Å
598Q97.2Very high92.7Very high68 Ų6862.7 Ų62.732%0.31831%0.305SS..Hα-helixtrans-66.5-41-179.7-70.4-64.1-33.800112.6I559 L563 M594 L595 N601 N602I559-Q598 HydrophobicContact CG2-CB 4.2Å; I559-Q598 HydrophobicContact CG2-CG 3.96Å; L563-Q598 HydrophobicContact CD1-CB 4.01Å; L563-Q598 HydrophobicContact CD2-CB 4.12Å; L563-Q598 HydrophobicContact CG-CB 4.48Å; M594-Q598 WeakPolarHBondContact O-CB 3.37Å; M594-Q598 VanDerWaalsContact O-CG 3.27Å; M594-Q598 WeakPolarHBondContact O-CG 3.42Å; M594-Q598 PolarHBondContact O-N 3.49Å; L595-Q598 PolarHBondContact O-N 3.11Å; Q598-N601 PolarHBondContact O-N 3.12Å; Q598-N602 PolarHBondContact O-N 3.01Å; Q598-N602 VanDerWaalsContact O-N 3.15Å; Q598-N602 PolarHBondContact O-ND2 2.9Å
599L97.1Very high93.6Very high0 Ų059.7 Ų59.70%029%0.289CS..Hα-helixtrans-62.3-45174.2-73.2169.9000111.4I562 L563 I579 L595 N601 N602 R603 T604 I606 I637I562-L599 HydrophobicContact CG2-CD2 4.29Å; L563-L599 HydrophobicContact CD2-CD2 4.06Å; L563-L599 HydrophobicContact CD2-CG 4.49Å; I579-L599 HydrophobicContact CD1-CD1 4.06Å; L595-L599 HydrophobicContact CD1-CD1 3.95Å; L595-L599 HydrophobicContact CD1-CG 4.22Å; L595-L599 HydrophobicContact CG-CD1 4.07Å; L595-L599 WeakPolarHBondContact O-CG 3.46Å; L595-L599 PolarHBondContact O-N 3.25Å; L599-N601 PolarHBondContact O-N 3.26Å; L599-N602 CarbonylContact O-C 3.41Å; L599-N602 WeakPolarHBondContact O-CA 3.32Å; L599-N602 PolarHBondContact O-N 3.01Å; L599-N602 VanDerWaalsContact O-N 3.14Å; L599-R603 PolarHBondContact O-N 2.86Å; L599-T604 HydrophobicContact CD2-CG2 4.07Å; L599-T604 WeakPolarHBondContact O-CB 3.13Å; L599-T604 PolarHBondContact O-N 2.87Å; L599-I606 HydrophobicContact CB-CD1 4.02Å; L599-I606 HydrophobicContact CB-CG1 4.31Å; L599-I606 HydrophobicContact CD1-CD1 4Å; L599-I606 HydrophobicContact CD1-CG1 4.19Å; L599-I637 HydrophobicContact CD1-CD1 4.09Å
600K94.3Very high94.7Very high142 Ų14258.1 Ų58.162%0.61728%0.284SS*.Hα-helixtrans-63.8-39.5176.8-74.1173.7-176.7177.80112.9C596 T597 N602 R603C596-K600 WeakPolarHBondContact O-CB 3.22Å; C596-K600 VanDerWaalsContact O-CG 3.24Å; C596-K600 WeakPolarHBondContact O-CG 3.25Å; C596-K600 PolarHBondContact O-N 2.94Å; T597-K600 PolarHBondContact O-N 3.36Å; K600-N602 PolarHBondContact O-N 2.97Å; K600-R603 WeakPolarHBondContact O-CA 3.13Å; K600-R603 PolarHBondContact O-N 3.38Å
601N96.5Very high95.1Very high110 Ų11051.7 Ų51.759%0.58826%0.263SS*.Hα-helixtrans-61.7-32.5175-72.8-12.5000111.8T597 Q598 L599 R603T597-N601 WeakPolarHBondContact O-CB 3.39Å; T597-N601 PolarHBondContact O-N 3.21Å; T597-N601 PolarHBondContact O-ND2 2.93Å; T597-N601 PolarHBondContact O-OD1 3.3Å; Q598-N601 PolarHBondContact O-N 3.12Å; L599-N601 PolarHBondContact O-N 3.26Å; N601-R603 PolarHBondContact O-N 2.85Å
602N94.2Very high95.3Very high67 Ų6751.7 Ų51.736%0.35826%0.263SS..THydrogen-bonded Turntrans-86.215.2171.5-71.9-82000113.2C567 Q598 L599 K600 T604C567-N602 HydrophobicContact CB-CB 4.39Å; Q598-N602 PolarHBondContact O-N 3.01Å; Q598-N602 VanDerWaalsContact O-N 3.15Å; Q598-N602 PolarHBondContact O-ND2 2.9Å; L599-N602 CarbonylContact O-C 3.41Å; L599-N602 WeakPolarHBondContact O-CA 3.32Å; L599-N602 PolarHBondContact O-N 3.01Å; L599-N602 VanDerWaalsContact O-N 3.14Å; K600-N602 PolarHBondContact O-N 2.97Å; N602-T604 PolarHBondContact O-N 3.03Å; N602-T604 VanDerWaalsContact O-N 3.16Å
603R92.8Very high95.4Very high218 Ų21852.7 Ų52.782%0.82327%0.271SS*.THydrogen-bonded Turntrans5629.1179.2-52.9178-177177.70.3113.8L599 K600 N601L599-R603 PolarHBondContact O-N 2.86Å; K600-R603 WeakPolarHBondContact O-CA 3.13Å; K600-R603 PolarHBondContact O-N 3.38Å; N601-R603 PolarHBondContact O-N 2.85Å
604T94.4Very high95.5Very high4 Ų456.2 Ų56.23%0.02529%0.285CS..  trans-87.7120.4178.6-56.30000110K566 C567 L599 N602 L633K566-T604 HydrophobicContact CD-CG2 4.49Å; K566-T604 HydrophobicContact CG-CG2 3.98Å; C567-T604 PolarHBondContact SG-OG1 3.39Å; L599-T604 HydrophobicContact CD2-CG2 4.07Å; L599-T604 WeakPolarHBondContact O-CB 3.13Å; L599-T604 PolarHBondContact O-N 2.87Å; N602-T604 PolarHBondContact O-N 3.03Å; N602-T604 VanDerWaalsContact O-N 3.16Å; T604-L633 CarbonylContact C-O 3.59Å; T604-L633 WeakPolarHBondContact CA-O 3.42Å
605A94.5Very high95.3Very high43 Ų4360.5 Ų60.536%0.35530%0.298SS..EExtended strand (participates in β ladder)trans-71136.7173.200000110.3Y607 L633 A634 C635A605-Y607 HydrophobicContact CB-CE2 4.11Å; A605-L633 PolarHBondContact N-O 3.07Å; A605-A634 HydrophobicContact CB-CB 4.07Å; A605-A634 VanDerWaalsContact O-CA 3.26Å; A605-A634 WeakPolarHBondContact O-CA 3.37Å; A605-C635 PolarHBondContact O-N 2.92Å
606I96.4Very high95Very high16 Ų1663 Ų638%0.08231%0.31CS..EExtended strand (participates in β ladder)trans-110.8128.5-178.5-58.2173.7000107.8C596 L599 P620 I637C596-I606 HydrophobicContact CB-CD1 4.1Å; L599-I606 HydrophobicContact CB-CD1 4.02Å; L599-I606 HydrophobicContact CB-CG1 4.31Å; L599-I606 HydrophobicContact CD1-CD1 4Å; L599-I606 HydrophobicContact CD1-CG1 4.19Å; I606-P620 HydrophobicContact CB-CB 4.39Å; I606-P620 HydrophobicContact CB-CG 4.39Å; I606-P620 HydrophobicContact CG2-CB 4.16Å; I606-P620 HydrophobicContact CG2-CG 3.86Å; I606-P620 VanDerWaalsContact O-CB 3.22Å; I606-P620 WeakPolarHBondContact O-CB 3.16Å; I606-I637 HydrophobicContact CD1-CD1 4.39Å; I606-I637 HydrophobicContact CG2-CB 4.47Å; I606-I637 HydrophobicContact CG2-CD1 3.59Å; I606-I637 HydrophobicContact CG2-CG1 3.87Å
607Y97.3Very high94.6Very high73 Ų7370.8 Ų70.829%0.28635%0.345SS..EExtended strand (participates in β ladder)trans-111.4141170.5-65-89.7000109.8A605 P621 Y630 A634 C635 T636 I637A605-Y607 HydrophobicContact CB-CE2 4.11Å; Y607-P621 CarbonylContact C-O 3.55Å; Y607-P621 VanDerWaalsContact CA-O 3.26Å; Y607-P621 WeakPolarHBondContact CA-O 3.43Å; Y607-P621 HydrophobicContact CD1-CB 4.11Å; Y607-P621 HydrophobicContact CE1-CB 4.24Å; Y607-Y630 WeakPolarHBondContact CB-OH 3.45Å; Y607-Y630 HydrophobicContact CD2-CD1 4.48Å; Y607-Y630 AromaticContact CD2-CE1 3.52Å; Y607-Y630 HydrophobicContact CD2-CE1 3.52Å; Y607-Y630 AromaticContact CD2-CZ 3.57Å; Y607-Y630 VanDerWaalsContact CD2-OH 3.31Å; Y607-Y630 WeakPolarHBondContact CD2-OH 3.43Å; Y607-Y630 HydrophobicContact CE2-CD1 4.25Å; Y607-Y630 AromaticContact CE2-CE1 3.55Å; Y607-Y630 HydrophobicContact CE2-CE1 3.55Å; Y607-Y630 HydrophobicContact CG-CE1 4.27Å; Y607-A634 HydrophobicContact CD2-CB 4.49Å; Y607-A634 HydrophobicContact CE2-CB 3.98Å; Y607-C635 PolarHBondContact N-O 3.13Å; Y607-T636 CarbonylContact O-C 3.52Å; Y607-T636 WeakPolarHBondContact O-CA 3.3Å; Y607-I637 PolarHBondContact O-N 3.05Å
608A97.3Very high94.2Very high0 Ų075.6 Ų75.60%036%0.361CS..EExtended strand (participates in β ladder)trans-95.5126.9-178.300000110.7L612 S613 P619 P620 P621 P622 A623A608-L612 HydrophobicContact CB-CB 4.45Å; A608-L612 HydrophobicContact CB-CD2 4.04Å; A608-L612 HydrophobicContact CB-CG 4.34Å; A608-S613 VanDerWaalsContact CB-OG 3.24Å; A608-S613 WeakPolarHBondContact CB-OG 3.44Å; A608-P619 HydrophobicContact CB-CB 4.25Å; A608-P620 HydrophobicContact CB-CB 4.32Å; A608-P620 HydrophobicContact CB-CG 4.44Å; A608-P621 PolarHBondContact N-O 3.49Å; A608-P622 WeakPolarHBondContact O-CA 3.34Å; A608-A623 PolarHBondContact O-N 2.88Å
609G97.1Very high93.7Very high0 Ų074.9 Ų74.90%036%0.362CS..  trans-66.1162.7164.900000111.6A611 L612 S613 I637 E638G609-A611 VanDerWaalsContact C-N 3.34Å; G609-A611 PolarHBondContact O-N 2.76Å; G609-L612 PolarHBondContact O-N 2.79Å; G609-S613 WeakPolarHBondContact O-CB 3.42Å; G609-S613 PolarHBondContact O-N 3.02Å; G609-S613 PolarHBondContact O-OG 3.1Å; G609-I637 PolarHBondContact N-O 3.42Å; G609-E638 VanDerWaalsContact CA-OE2 3.22Å; G609-E638 WeakPolarHBondContact CA-OE2 3.26Å
610P96.6Very high93.4Very high71 Ų7176.2 Ų76.246%0.46137%0.371SS..Hα-helixtrans-49.6-44.5177.6-31.234.8000115.7S613 Q614 E638P610-S613 PolarHBondContact O-N 2.93Å; P610-Q614 VanDerWaalsContact O-CG 3.31Å; P610-Q614 WeakPolarHBondContact O-CG 3.37Å; P610-Q614 PolarHBondContact O-N 3.02Å; P610-Q614 VanDerWaalsContact O-N 3.14Å; P610-E638 WeakPolarHBondContact CD-OE2 3.29Å
611A96.1Very high93.4Very high37 Ų3773.3 Ų73.331%0.30637%0.367SS..Hα-helixtrans-72.9-37.3-175.800000111.7G609 R615 E638 L639G609-A611 VanDerWaalsContact C-N 3.34Å; G609-A611 PolarHBondContact O-N 2.76Å; A611-R615 WeakPolarHBondContact O-CG 3.05Å; A611-R615 PolarHBondContact O-N 3.43Å; A611-E638 WeakPolarHBondContact CA-OE1 3.43Å; A611-E638 WeakPolarHBondContact CB-OE1 3.29Å; A611-E638 PolarHBondContact N-OE1 3Å; A611-E638 PolarHBondContact N-OE2 2.94Å; A611-E638 VanDerWaalsContact N-OE2 3.15Å; A611-L639 HydrophobicContact CB-CB 4.08Å
612L95.4Very high93.3Very high0 Ų072.4 Ų72.40%037%0.367CS..Hα-helixtrans-62.8-46.5170.7-17663.2000111.7L586 F592 A608 G609 Q614 R615 M616 I637 E638 L639L586-L612 HydrophobicContact CD1-CD1 4.19Å; L586-L612 HydrophobicContact CD2-CD1 4.09Å; F592-L612 HydrophobicContact CE2-CD1 3.9Å; F592-L612 HydrophobicContact CE2-CD2 4.21Å; F592-L612 HydrophobicContact CZ-CD1 3.99Å; F592-L612 HydrophobicContact CZ-CD2 4.22Å; A608-L612 HydrophobicContact CB-CB 4.45Å; A608-L612 HydrophobicContact CB-CD2 4.04Å; A608-L612 HydrophobicContact CB-CG 4.34Å; G609-L612 PolarHBondContact O-N 2.79Å; L612-Q614 VanDerWaalsContact C-N 3.26Å; L612-Q614 PolarHBondContact O-N 3.5Å; L612-R615 PolarHBondContact O-N 2.89Å; L612-M616 HydrophobicContact CD1-CG 4.15Å; L612-M616 HydrophobicContact CD1-SD 3.74Å; L612-M616 HydrophobicContact CD2-SD 4.42Å; L612-M616 HydrophobicContact CG-SD 3.92Å; L612-M616 PolarHBondContact O-N 3.42Å; L612-I637 HydrophobicContact CD2-CB 3.81Å; L612-I637 HydrophobicContact CD2-CG2 3.83Å; L612-I637 WeakPolarHBondContact CD2-O 3.32Å; L612-E638 PolarHBondContact N-OE1 2.85Å; L612-L639 HydrophobicContact CB-CD1 4.5Å; L612-L639 HydrophobicContact CB-CG 4.08Å; L612-L639 HydrophobicContact CD1-CD1 4.16Å; L612-L639 HydrophobicContact CD1-CD2 4.01Å; L612-L639 HydrophobicContact CD1-CG 3.98Å
613S94.3Very high93.2Very high31 Ų3170.1 Ų70.122%0.21736%0.357CS..Hα-helixtrans-58.6-37.8-177.9-61.80000112.5A608 G609 P610 R615A608-S613 VanDerWaalsContact CB-OG 3.24Å; A608-S613 WeakPolarHBondContact CB-OG 3.44Å; G609-S613 WeakPolarHBondContact O-CB 3.42Å; G609-S613 PolarHBondContact O-N 3.02Å; G609-S613 PolarHBondContact O-OG 3.1Å; P610-S613 PolarHBondContact O-N 2.93Å; S613-R615 VanDerWaalsContact C-N 3.34Å
614Q94Very high93.1Very high164 Ų16466.8 Ų66.877%0.76636%0.356SS*.Hα-helixtrans-73.3-22.4178.9-71.3173.420.100113.9P610 L612P610-Q614 VanDerWaalsContact O-CG 3.31Å; P610-Q614 WeakPolarHBondContact O-CG 3.37Å; P610-Q614 PolarHBondContact O-N 3.02Å; P610-Q614 VanDerWaalsContact O-N 3.14Å; L612-Q614 VanDerWaalsContact C-N 3.26Å; L612-Q614 PolarHBondContact O-N 3.5Å
615R90.9Very high93.1Very high145 Ų14568.9 Ų68.955%0.54737%0.37SS..Hα-helixtrans-93-10-177.6-67.8-67.7-167.7115.16.7113.6L586 A611 L612 S613 L639L586-R615 HydrophobicContact CD2-CB 3.59Å; L586-R615 HydrophobicContact CD2-CG 4.36Å; A611-R615 WeakPolarHBondContact O-CG 3.05Å; A611-R615 PolarHBondContact O-N 3.43Å; L612-R615 PolarHBondContact O-N 2.89Å; S613-R615 VanDerWaalsContact C-N 3.34Å; R615-L639 HydrophobicContact CB-CD1 4.05Å; R615-L639 HydrophobicContact CG-CD1 3.75Å
616M88.9Confident93.1Very high52 Ų5268 Ų6826%0.25636%0.359SS..  trans-112.1140.9-177.5-64.6-173.37100111.7F592 L612 P619F592-M616 HydrophobicContact CE1-CE 3.61Å; F592-M616 HydrophobicContact CE1-SD 3.83Å; F592-M616 HydrophobicContact CZ-CE 4.04Å; F592-M616 HydrophobicContact CZ-SD 3.69Å; L612-M616 HydrophobicContact CD1-CG 4.15Å; L612-M616 HydrophobicContact CD1-SD 3.74Å; L612-M616 HydrophobicContact CD2-SD 4.42Å; L612-M616 HydrophobicContact CG-SD 3.92Å; L612-M616 PolarHBondContact O-N 3.42Å; M616-P619 HydrophobicContact CB-CB 4.04Å
617Q85.7Confident93.1Very high175 Ų17570.4 Ų70.482%0.81837%0.37SS*.SBendtrans-73.2-32.5174.8-167.517513.400112.4
618F87.5Confident92.8Very high171 Ų17170.9 Ų70.975%0.7537%0.374SS*.SBendtrans-133.172.5177.5-58.6-74.9000109.7
619P87.1Confident92.4Very high53 Ų5372.2 Ų72.234%0.34438%0.38SS..PPolyproline II helixtrans-67.2157.5-18028.3-33000111.3A608 M616A608-P619 HydrophobicContact CB-CB 4.25Å; M616-P619 HydrophobicContact CB-CB 4.04Å
620P90.1Very high92.1Very high29 Ų2973.6 Ų73.619%0.18839%0.385CS..PPolyproline II helixtrans-53165.1159.7-19.930000111.8I606 A608I606-P620 HydrophobicContact CB-CB 4.39Å; I606-P620 HydrophobicContact CB-CG 4.39Å; I606-P620 HydrophobicContact CG2-CB 4.16Å; I606-P620 HydrophobicContact CG2-CG 3.86Å; I606-P620 VanDerWaalsContact O-CB 3.22Å; I606-P620 WeakPolarHBondContact O-CB 3.16Å; A608-P620 HydrophobicContact CB-CB 4.32Å; A608-P620 HydrophobicContact CB-CG 4.44Å
621P93.8Very high91.4Very high81 Ų8170.5 Ų70.553%0.52637%0.366SS..PPolyproline II helixtrans-51140.6174.2-25.534.8000111.7Y607 A608Y607-P621 CarbonylContact C-O 3.55Å; Y607-P621 VanDerWaalsContact CA-O 3.26Å; Y607-P621 WeakPolarHBondContact CA-O 3.43Å; Y607-P621 HydrophobicContact CD1-CB 4.11Å; Y607-P621 HydrophobicContact CE1-CB 4.24Å; A608-P621 PolarHBondContact N-O 3.49Å
622P94.6Very high91Very high91 Ų9169.1 Ų69.159%0.59136%0.356SS*.BIsolated β-bridgetrans-63.5145.4-179.827.3-34.6000110.9A608A608-P622 WeakPolarHBondContact O-CA 3.34Å
623A93.6Very high90.8Very high19 Ų1972.3 Ų72.316%0.15737%0.373CS..PPolyproline II helixtrans-71.6131.5170.800000110.3A608 S625 T636A608-A623 PolarHBondContact O-N 2.88Å; A623-S625 PolarHBondContact O-N 2.97Å; A623-T636 HydrophobicContact CB-CG2 3.9Å
624D89.2Confident90.8Very high148 Ų14871.1 Ų71.179%0.79137%0.365SS*.SBendtrans-63-32.2177.8-62.8-32.8000112.5
625S94.5Very high90.9Very high47 Ų4763.3 Ų63.333%0.32933%0.328SS..  trans-154.1145.6179.9175.50000109.1A623 H627 K628A623-S625 PolarHBondContact O-N 2.97Å; S625-H627 VanDerWaalsContact C-N 3.33Å; S625-H627 PolarHBondContact OG-N 3.24Å; S625-H627 PolarHBondContact OG-O 2.92Å; S625-K628 WeakPolarHBondContact O-CB 3.34Å
626L95.5Very high91.3Very high24 Ų2456.4 Ų56.413%0.12630%0.302CS..SBendtrans-78.9-20.9168.9-64.4177.5000112K628 T636 Y653L626-K628 PolarHBondContact O-N 2.77Å; L626-T636 HydrophobicContact CD2-CG2 4.09Å; L626-Y653 HydrophobicContact CB-CD1 3.82Å; L626-Y653 HydrophobicContact CB-CD2 3.92Å; L626-Y653 HydrophobicContact CB-CE1 4.01Å; L626-Y653 HydrophobicContact CB-CE2 4.12Å; L626-Y653 HydrophobicContact CB-CG 3.77Å; L626-Y653 HydrophobicContact CD1-CD2 4.27Å; L626-Y653 HydrophobicContact CD1-CE2 3.74Å
627H94.9Very high91.7Very high68 Ų6854 Ų5432%0.31529%0.29SS..SBendtrans-94.579.9168.3-166.2100.4000108.4E542 I544 S625 Y653E542-H627 IonicContact OE2-CD2 3.17Å; E542-H627 IonicContact OE2-CE1 3.69Å; E542-H627 IonicContact OE2-NE2 3.22Å; E542-H627 PolarHBondContact OE2-NE2 3.35Å; I544-H627 WeakPolarHBondContact CD1-CD2 3.34Å; I544-H627 WeakPolarHBondContact CD1-NE2 3.15Å; S625-H627 VanDerWaalsContact C-N 3.33Å; S625-H627 PolarHBondContact OG-N 3.24Å; S625-H627 PolarHBondContact OG-O 2.92Å; H627-Y653 HydrophobicContact CB-CD1 4.19Å; H627-Y653 PolarHBondContact ND1-O 2.79Å
628K91.4Very high92.3Very high83 Ų8346.1 Ų46.136%0.36125%0.253SS..  trans-139.5127-176.2-172.770.1177.2-169.70111.3E577 S625 L626 Y630E577-K628 WeakPolarHBondContact CB-O 3.03Å; S625-K628 WeakPolarHBondContact O-CB 3.34Å; L626-K628 PolarHBondContact O-N 2.77Å; K628-Y630 HydrophobicContact CG-CD1 4.45Å; K628-Y630 HydrophobicContact CG-CD2 4.49Å; K628-Y630 HydrophobicContact CG-CE1 4.18Å; K628-Y630 HydrophobicContact CG-CE2 4.21Å
629E89.4Confident92.8Very high28 Ų2838.7 Ų38.713%0.13122%0.221CC..  trans-100.1118.8166.2-169.8-179.415800108.6K368 E542 G543 I544 E577K368-E629 WeakPolarHBondContact CD-OE1 3.17Å; K368-E629 WeakPolarHBondContact CE-OE2 3.38Å; K368-E629 IonicContact NZ-OE1 2.73Å; K368-E629 PolarHBondContact NZ-OE1 3.18Å; K368-E629 IonicContact NZ-OE2 3.23Å; K368-E629 PolarHBondContact NZ-OE2 3.06Å; E542-E629 WeakPolarHBondContact CA-OE2 3.25Å; G543-E629 PolarHBondContact N-OE2 3.24Å; I544-E629 HydrophobicContact CG1-CB 3.94Å; E577-E629 HydrophobicContact CG-CB 4.48Å; E577-E629 HydrophobicContact CG-CG 4.15Å
630Y90.4Very high93.3Very high28 Ų2836.7 Ų36.711%0.1121%0.208CC..  trans-84.9-31179-66.5-83.9000112.7K368 E577 Y607 K628 G632 A634 T636K368-Y630 VanDerWaalsContact O-O 3.06Å; E577-Y630 WeakPolarHBondContact OE2-CA 2.98Å; E577-Y630 VanDerWaalsContact OE2-CB 3.26Å; E577-Y630 WeakPolarHBondContact OE2-CB 3.38Å; E577-Y630 VanDerWaalsContact OE2-CD2 3.28Å; E577-Y630 WeakPolarHBondContact OE2-CD2 3.35Å; E577-Y630 PolarHBondContact OE2-N 2.71Å; Y607-Y630 WeakPolarHBondContact CB-OH 3.45Å; Y607-Y630 HydrophobicContact CD2-CD1 4.48Å; Y607-Y630 AromaticContact CD2-CE1 3.52Å; Y607-Y630 HydrophobicContact CD2-CE1 3.52Å; Y607-Y630 AromaticContact CD2-CZ 3.57Å; Y607-Y630 VanDerWaalsContact CD2-OH 3.31Å; Y607-Y630 WeakPolarHBondContact CD2-OH 3.43Å; Y607-Y630 HydrophobicContact CE2-CD1 4.25Å; Y607-Y630 AromaticContact CE2-CE1 3.55Å; Y607-Y630 HydrophobicContact CE2-CE1 3.55Å; Y607-Y630 HydrophobicContact CG-CE1 4.27Å; K628-Y630 HydrophobicContact CG-CD1 4.45Å; K628-Y630 HydrophobicContact CG-CD2 4.49Å; K628-Y630 HydrophobicContact CG-CE1 4.18Å; K628-Y630 HydrophobicContact CG-CE2 4.21Å; Y630-G632 PolarHBondContact O-N 2.87Å; Y630-G632 VanDerWaalsContact O-N 3.13Å; Y630-A634 HydrophobicContact CD1-CB 3.56Å; Y630-A634 HydrophobicContact CD2-CB 4.36Å; Y630-A634 WeakPolarHBondContact CD2-O 3.21Å; Y630-A634 HydrophobicContact CE1-CB 4.17Å; Y630-A634 HydrophobicContact CG-CB 3.67Å; Y630-T636 PolarHBondContact OH-OG1 2.65Å
631G82.7Confident93.7Very high6 Ų637.5 Ų37.56%0.06222%0.217CC..  trans62.618.3179.200000114.6P570 A571P570-G631 CarbonylContact O-C 3.53Å; P570-G631 VanDerWaalsContact O-C 3.24Å; A571-G631 WeakPolarHBondContact CA-O 3.36Å
632G86.6Confident93.9Very high9 Ų936.9 Ų36.99%0.09321%0.21CC..SBendtrans-157-170.3-173.900000111.8K566 P570 Y630 A634K566-G632 WeakPolarHBondContact CE-O 3.48Å; K566-G632 PolarHBondContact NZ-O 3.4Å; K566-G632 VanDerWaalsContact NZ-O 3.15Å; P570-G632 WeakPolarHBondContact CB-O 3.31Å; P570-G632 PolarHBondContact O-N 2.91Å; Y630-G632 PolarHBondContact O-N 2.87Å; Y630-G632 VanDerWaalsContact O-N 3.13Å; G632-A634 PolarHBondContact O-N 3.2Å
633L91.5Very high94.1Very high67 Ų6733 Ų3335%0.35119%0.185SC..SBendtrans-74.964.7176.4-69.7171.5000110.8C567 P570 T604 A605C567-L633 HydrophobicContact CB-CD2 4.25Å; P570-L633 HydrophobicContact CB-CD2 4.23Å; P570-L633 HydrophobicContact CB-CG 4.37Å; P570-L633 HydrophobicContact CG-CD2 3.41Å; P570-L633 VanDerWaalsContact CG-CD2 3.41Å; P570-L633 HydrophobicContact CG-CG 3.77Å; T604-L633 CarbonylContact C-O 3.59Å; T604-L633 WeakPolarHBondContact CA-O 3.42Å; A605-L633 PolarHBondContact N-O 3.07Å
634A94.4Very high94.3Very high6 Ų637.5 Ų37.55%0.0520%0.198CC..EExtended strand (participates in β ladder)trans-148.4147.817200000110K566 A605 Y607 Y630 G632K566-A634 WeakPolarHBondContact CD-O 3.21Å; K566-A634 PolarHBondContact NZ-O 3.07Å; A605-A634 HydrophobicContact CB-CB 4.07Å; A605-A634 VanDerWaalsContact O-CA 3.26Å; A605-A634 WeakPolarHBondContact O-CA 3.37Å; Y607-A634 HydrophobicContact CD2-CB 4.49Å; Y607-A634 HydrophobicContact CE2-CB 3.98Å; Y630-A634 HydrophobicContact CD1-CB 3.56Å; Y630-A634 HydrophobicContact CD2-CB 4.36Å; Y630-A634 WeakPolarHBondContact CD2-O 3.21Å; Y630-A634 HydrophobicContact CE1-CB 4.17Å; Y630-A634 HydrophobicContact CG-CB 3.67Å; G632-A634 PolarHBondContact O-N 3.2Å
635C97.2Very high94.8Very high0 Ų032 Ų320%017%0.173CC..EExtended strand (participates in β ladder)trans-153.6156.6174.959.90000111.8K566 E577 A605 Y607K566-C635 HydrophobicContact CD-CB 4.08Å; E577-C635 CarbonylContact O-C 3.39Å; E577-C635 VanDerWaalsContact O-CA 3.28Å; E577-C635 WeakPolarHBondContact O-CA 3.44Å; E577-C635 WeakPolarHBondContact O-CB 3.36Å; A605-C635 PolarHBondContact O-N 2.92Å; Y607-C635 PolarHBondContact N-O 3.13Å
636T98.3Very high95Very high0 Ų029.8 Ų29.80%016%0.157CC..EExtended strand (participates in β ladder)trans-87.5139.9169.5-61.50000109.9E577 T578 I579 Y607 A623 L626 Y630E577-T636 PolarHBondContact O-N 3.35Å; T578-T636 CarbonylContact C-O 3.54Å; T578-T636 WeakPolarHBondContact CA-O 3.34Å; T578-T636 HydrophobicContact CG2-CG2 4.37Å; I579-T636 PolarHBondContact N-O 3.2Å; Y607-T636 CarbonylContact O-C 3.52Å; Y607-T636 WeakPolarHBondContact O-CA 3.3Å; A623-T636 HydrophobicContact CB-CG2 3.9Å; L626-T636 HydrophobicContact CD2-CG2 4.09Å; Y630-T636 PolarHBondContact OH-OG1 2.65Å
637I98.2Very high95.1Very high0 Ų028.7 Ų28.70%015%0.152CC..EExtended strand (participates in β ladder)trans-112.8128.6163.7-56.2179.5000107.9I579 L581 F592 L595 L599 I606 Y607 G609 L612I579-I637 HydrophobicContact CB-CG1 4.27Å; I579-I637 HydrophobicContact CD1-CG1 4.14Å; I579-I637 WeakPolarHBondContact O-CA 3.34Å; L581-I637 HydrophobicContact CD1-CG2 3.62Å; L581-I637 HydrophobicContact CG-CG2 3.94Å; F592-I637 HydrophobicContact CE2-CG2 4.39Å; L595-I637 HydrophobicContact CD2-CD1 4.41Å; L599-I637 HydrophobicContact CD1-CD1 4.09Å; I606-I637 HydrophobicContact CD1-CD1 4.39Å; I606-I637 HydrophobicContact CG2-CB 4.47Å; I606-I637 HydrophobicContact CG2-CD1 3.59Å; I606-I637 HydrophobicContact CG2-CG1 3.87Å; Y607-I637 PolarHBondContact O-N 3.05Å; G609-I637 PolarHBondContact N-O 3.42Å; L612-I637 HydrophobicContact CD2-CB 3.81Å; L612-I637 HydrophobicContact CD2-CG2 3.83Å; L612-I637 WeakPolarHBondContact CD2-O 3.32Å
638E97.9Very high95.3Very high10 Ų1030 Ų305%0.04716%0.161CC..EExtended strand (participates in β ladder)trans-132.9150177.6-178.560.6-65.500111.4I579 L580 L581 G609 P610 A611 L612I579-E638 PolarHBondContact O-N 3.33Å; L580-E638 CarbonylContact C-O 3.54Å; L580-E638 WeakPolarHBondContact CA-O 3.32Å; L580-E638 HydrophobicContact CD2-CB 4.02Å; L580-E638 HydrophobicContact CD2-CG 4.49Å; L581-E638 PolarHBondContact N-O 2.73Å; G609-E638 VanDerWaalsContact CA-OE2 3.22Å; G609-E638 WeakPolarHBondContact CA-OE2 3.26Å; P610-E638 WeakPolarHBondContact CD-OE2 3.29Å; A611-E638 WeakPolarHBondContact CA-OE1 3.43Å; A611-E638 WeakPolarHBondContact CB-OE1 3.29Å; A611-E638 PolarHBondContact N-OE1 3Å; A611-E638 PolarHBondContact N-OE2 2.94Å; A611-E638 VanDerWaalsContact N-OE2 3.15Å; L612-E638 PolarHBondContact N-OE1 2.85Å
639L97.7Very high95.7Very high15 Ų1526.8 Ų26.88%0.07915%0.147CC..EExtended strand (participates in β ladder)trans-93.8138.9176.2-58177.7000111.5L581 L586 A611 L612 R615L581-L639 HydrophobicContact CB-CD2 4.08Å; L581-L639 WeakPolarHBondContact O-CA 3.2Å; L586-L639 HydrophobicContact CB-CD2 4.11Å; L586-L639 HydrophobicContact CD2-CD1 3.57Å; L586-L639 HydrophobicContact CD2-CD2 4.31Å; A611-L639 HydrophobicContact CB-CB 4.08Å; L612-L639 HydrophobicContact CB-CD1 4.5Å; L612-L639 HydrophobicContact CB-CG 4.08Å; L612-L639 HydrophobicContact CD1-CD1 4.16Å; L612-L639 HydrophobicContact CD1-CD2 4.01Å; L612-L639 HydrophobicContact CD1-CG 3.98Å; R615-L639 HydrophobicContact CB-CD1 4.05Å; R615-L639 HydrophobicContact CG-CD1 3.75Å
640V98.3Very high96.1Very high11 Ų1125.6 Ų25.67%0.06714%0.142CC..EExtended strand (participates in β ladder)trans-127.7150.9173.1-66.10000110.5Y548 L580 L581 H582 Q583 A645 A646Y548-V640 HydrophobicContact CD2-CG2 3.85Å; Y548-V640 HydrophobicContact CE2-CG2 3.47Å; Y548-V640 VanDerWaalsContact CE2-CG2 3.47Å; L580-V640 HydrophobicContact CB-CG1 4.37Å; L580-V640 HydrophobicContact CB-CG2 4.25Å; L580-V640 HydrophobicContact CD2-CG1 4.16Å; L581-V640 PolarHBondContact O-N 3.36Å; H582-V640 WeakPolarHBondContact CA-O 3.44Å; Q583-V640 PolarHBondContact N-O 3.41Å; V640-A645 HydrophobicContact CB-CB 4.05Å; V640-A646 HydrophobicContact CG2-CB 4.12Å
641A97.5Very high96.5Very high46 Ų4629 Ų2938%0.3816%0.159SC..SBendtrans-73.4-37.3-175.400000112.8H582 A645H582-A641 PolarHBondContact CD2-O 2.95Å; H582-A641 PolarHBondContact NE2-O 3.43Å; A641-A645 HydrophobicContact CB-CB 4.38Å
642D98.2Very high97.2Very high68 Ų6836.8 Ų36.836%0.36419%0.186SC..SBendtrans-162.9-172.8-175.656.436.1000110.6Y644 A645 A646D642-Y644 VanDerWaalsContact C-N 3.34Å; D642-Y644 WeakPolarHBondContact OD1-CB 3.44Å; D642-Y644 PolarHBondContact OD1-N 2.88Å; D642-A645 PolarHBondContact O-N 3.27Å; D642-A645 PolarHBondContact OD1-N 2.95Å; D642-A646 PolarHBondContact O-N 3.28Å
643V98.5Very high97.7Very high11 Ų1139.5 Ų39.57%0.06719%0.194CC..Hα-helixtrans-65-34.2179.166.80000112.9Y548 A646 I647 I661 T668 I671 F672Y548-V643 HydrophobicContact CD1-CG2 4.4Å; Y548-V643 HydrophobicContact CE1-CB 3.9Å; Y548-V643 HydrophobicContact CE1-CG2 3.9Å; Y548-V643 PolarHBondContact OH-N 2.72Å; V643-A646 WeakPolarHBondContact O-CB 3.17Å; V643-A646 PolarHBondContact O-N 3.14Å; V643-I647 HydrophobicContact CG2-CD1 4.09Å; V643-I647 WeakPolarHBondContact O-CD1 3.36Å; V643-I647 VanDerWaalsContact O-CG1 3.29Å; V643-I647 WeakPolarHBondContact O-CG1 3.31Å; V643-I647 PolarHBondContact O-N 3.44Å; V643-I661 HydrophobicContact CG2-CD1 4.33Å; V643-T668 HydrophobicContact CB-CG2 3.75Å; V643-T668 HydrophobicContact CG1-CG2 4.13Å; V643-T668 HydrophobicContact CG2-CG2 3.8Å; V643-I671 HydrophobicContact CG1-CG2 4.11Å; V643-I671 HydrophobicContact CG2-CG2 4.45Å; V643-F672 HydrophobicContact CG2-CB 4.09Å; V643-F672 HydrophobicContact CG2-CD2 4.07Å
644Y98.7Very high97.9Very high113 Ų11337.1 Ų37.144%0.44319%0.185SC..Hα-helixtrans-69.2-42.3179.6-62.5-70.3000110.8D642 A646 I647 D648 I671D642-Y644 VanDerWaalsContact C-N 3.34Å; D642-Y644 WeakPolarHBondContact OD1-CB 3.44Å; D642-Y644 PolarHBondContact OD1-N 2.88Å; Y644-A646 PolarHBondContact O-N 2.95Å; Y644-I647 HydrophobicContact CD1-CD1 4.49Å; Y644-I647 PolarHBondContact O-N 2.68Å; Y644-D648 PolarHBondContact O-N 3.15Å; Y644-I671 HydrophobicContact CD1-CG2 4.39Å; Y644-I671 HydrophobicContact CE1-CG2 3.76Å
645A98.7Very high97.9Very high32 Ų3237.7 Ų37.726%0.26419%0.189SC..Hα-helixtrans-61.5-33.1172.100000112.3V640 A641 D642 H649V640-A645 HydrophobicContact CB-CB 4.05Å; A641-A645 HydrophobicContact CB-CB 4.38Å; D642-A645 PolarHBondContact O-N 3.27Å; D642-A645 PolarHBondContact OD1-N 2.95Å; A645-H649 WeakPolarHBondContact O-CB 3.19Å; A645-H649 PolarHBondContact O-N 3.25Å
646A98.7Very high97.8Very high0 Ų039 Ų390%020%0.2CC..Hα-helixtrans-67.6-44.7173.600000112Y548 L580 V640 D642 V643 Y644 H649 I650Y548-A646 HydrophobicContact CD1-CB 3.87Å; Y548-A646 HydrophobicContact CD2-CB 3.63Å; Y548-A646 HydrophobicContact CE1-CB 4.16Å; Y548-A646 HydrophobicContact CE2-CB 3.94Å; Y548-A646 HydrophobicContact CG-CB 3.6Å; L580-A646 HydrophobicContact CD1-CB 4.17Å; V640-A646 HydrophobicContact CG2-CB 4.12Å; D642-A646 PolarHBondContact O-N 3.28Å; V643-A646 WeakPolarHBondContact O-CB 3.17Å; V643-A646 PolarHBondContact O-N 3.14Å; Y644-A646 PolarHBondContact O-N 2.95Å; A646-H649 WeakPolarHBondContact O-CB 3.32Å; A646-H649 PolarHBondContact O-N 3.46Å; A646-I650 VanDerWaalsContact O-CG1 3.3Å; A646-I650 WeakPolarHBondContact O-CG1 3.28Å; A646-I650 PolarHBondContact O-N 3.43Å
647I98.8Very high97.7Very high2 Ų239 Ų391%0.0120%0.2CC..Hα-helixtrans-60.9-48.2176.6-67.1157.4000110.4V643 Y644 H649 I650 H651 I671 F672 E675 V676V643-I647 HydrophobicContact CG2-CD1 4.09Å; V643-I647 WeakPolarHBondContact O-CD1 3.36Å; V643-I647 VanDerWaalsContact O-CG1 3.29Å; V643-I647 WeakPolarHBondContact O-CG1 3.31Å; V643-I647 PolarHBondContact O-N 3.44Å; Y644-I647 HydrophobicContact CD1-CD1 4.49Å; Y644-I647 PolarHBondContact O-N 2.68Å; I647-H649 VanDerWaalsContact C-N 3.28Å; I647-H649 PolarHBondContact O-N 2.99Å; I647-I650 PolarHBondContact O-N 2.93Å; I647-I650 VanDerWaalsContact O-N 3.13Å; I647-H651 VanDerWaalsContact CG2-CE1 3.45Å; I647-H651 WeakPolarHBondContact CG2-CE1 3.14Å; I647-H651 PolarHBondContact O-N 3.45Å; I647-I671 HydrophobicContact CD1-CG2 3.99Å; I647-F672 HydrophobicContact CG1-CD2 4.09Å; I647-E675 HydrophobicContact CD1-CB 3.88Å; I647-E675 HydrophobicContact CG2-CB 4.13Å; I647-V676 HydrophobicContact CG1-CG2 3.9Å; I647-V676 HydrophobicContact CG2-CG2 4.5Å
648D98.6Very high97.6Very high94 Ų9439 Ų3950%0.50320%0.2SC..Hα-helixtrans-59-39.5177-80.8-14.7000112.1Y644 R652Y644-D648 PolarHBondContact O-N 3.15Å; D648-R652 VanDerWaalsContact O-CB 3.27Å; D648-R652 WeakPolarHBondContact O-CB 3.41Å; D648-R652 PolarHBondContact O-N 3.01Å; D648-R652 VanDerWaalsContact O-N 3.11Å
649H98.7Very high97.7Very high16 Ų1638.6 Ų38.67%0.07420%0.198CC..Hα-helixtrans-62.7-49174.7-173.7112.8000110.9H546 L580 A645 A646 I647 H651 R652 Y653H546-H649 AromaticContact CD2-CD2 3.8Å; H546-H649 AromaticContact NE2-CD2 3.62Å; H546-H649 AromaticContact NE2-NE2 3.76Å; L580-H649 HydrophobicContact CD1-CB 4.03Å; A645-H649 WeakPolarHBondContact O-CB 3.19Å; A645-H649 PolarHBondContact O-N 3.25Å; A646-H649 WeakPolarHBondContact O-CB 3.32Å; A646-H649 PolarHBondContact O-N 3.46Å; I647-H649 VanDerWaalsContact C-N 3.28Å; I647-H649 PolarHBondContact O-N 2.99Å; H649-H651 PolarHBondContact O-N 3.39Å; H649-R652 PolarHBondContact O-N 3.4Å; H649-R652 VanDerWaalsContact O-N 3.14Å; H649-Y653 AromaticContact CD2-CD2 3.66Å; H649-Y653 AromaticContact CE1-CD2 3.67Å; H649-Y653 AromaticContact CG-CD2 3.77Å; H649-Y653 AromaticContact ND1-CD2 3.77Å; H649-Y653 AromaticContact NE2-CD2 3.59Å; H649-Y653 WeakPolarHBondContact O-CD2 3.48Å; H649-Y653 PolarHBondContact O-N 3.48Å
650I98.6Very high97.7Very high4 Ų437.9 Ų37.92%0.02119%0.194CC..Hα-helixtrans-61.8-43.9-179.7-71.7165.2000111H546 L580 A646 I647 R652 G654 E659 F672 V676H546-I650 HydrophobicContact CB-CD1 4.18Å; H546-I650 HydrophobicContact CB-CG1 3.92Å; L580-I650 HydrophobicContact CD1-CD1 4.4Å; L580-I650 HydrophobicContact CD1-CG1 4.09Å; A646-I650 VanDerWaalsContact O-CG1 3.3Å; A646-I650 WeakPolarHBondContact O-CG1 3.28Å; A646-I650 PolarHBondContact O-N 3.43Å; I647-I650 PolarHBondContact O-N 2.93Å; I647-I650 VanDerWaalsContact O-N 3.13Å; I650-R652 PolarHBondContact O-N 3.12Å; I650-G654 WeakPolarHBondContact O-CA 3.45Å; I650-G654 PolarHBondContact O-N 2.96Å; I650-E659 HydrophobicContact CD1-CB 4.28Å; I650-E659 HydrophobicContact CD1-CG 4.48Å; I650-E659 HydrophobicContact CG2-CG 3.71Å; I650-F672 HydrophobicContact CD1-CE2 3.55Å; I650-F672 HydrophobicContact CD1-CZ 3.55Å; I650-V676 HydrophobicContact CD1-CG2 4.33Å; I650-V676 HydrophobicContact CG2-CG1 4.04Å
651H98.1Very high97.7Very high99 Ų9937.3 Ų37.346%0.45819%0.191SC..Hα-helixtrans-63.7-31176.7-70.4174.9000112.4I647 H649 E675 D677I647-H651 VanDerWaalsContact CG2-CE1 3.45Å; I647-H651 WeakPolarHBondContact CG2-CE1 3.14Å; I647-H651 PolarHBondContact O-N 3.45Å; H649-H651 PolarHBondContact O-N 3.39Å; H651-E675 PolarHBondContact CE1-O 3.06Å; H651-E675 VanDerWaalsContact CE1-O 3.26Å; H651-E675 PolarHBondContact NE2-O 3.49Å; H651-D677 PolarHBondContact NE2-N 2.65Å
652R97.9Very high97.8Very high170 Ų17035.1 Ų35.164%0.64217%0.173SC*.Hα-helixtrans-85.1-36.5-177.7-171.6172.9-64.81597.3114D648 H649 I650D648-R652 VanDerWaalsContact O-CB 3.27Å; D648-R652 WeakPolarHBondContact O-CB 3.41Å; D648-R652 PolarHBondContact O-N 3.01Å; D648-R652 VanDerWaalsContact O-N 3.11Å; H649-R652 PolarHBondContact O-N 3.4Å; H649-R652 VanDerWaalsContact O-N 3.14Å; I650-R652 PolarHBondContact O-N 3.12Å
653Y97.7Very high97.8Very high66 Ų6632 Ų3226%0.25916%0.156SC..Hα-helixtrans-124.3-4.2-169.3-54.6-64.1000114L626 H627 H649L626-Y653 HydrophobicContact CB-CD1 3.82Å; L626-Y653 HydrophobicContact CB-CD2 3.92Å; L626-Y653 HydrophobicContact CB-CE1 4.01Å; L626-Y653 HydrophobicContact CB-CE2 4.12Å; L626-Y653 HydrophobicContact CB-CG 3.77Å; L626-Y653 HydrophobicContact CD1-CD2 4.27Å; L626-Y653 HydrophobicContact CD1-CE2 3.74Å; H627-Y653 HydrophobicContact CB-CD1 4.19Å; H627-Y653 PolarHBondContact ND1-O 2.79Å; H649-Y653 AromaticContact CD2-CD2 3.66Å; H649-Y653 AromaticContact CE1-CD2 3.67Å; H649-Y653 AromaticContact CG-CD2 3.77Å; H649-Y653 AromaticContact ND1-CD2 3.77Å; H649-Y653 AromaticContact NE2-CD2 3.59Å; H649-Y653 WeakPolarHBondContact O-CD2 3.48Å; H649-Y653 PolarHBondContact O-N 3.48Å
654G95.6Very high97.8Very high16 Ų1636.3 Ų36.317%0.16518%0.176CC..  trans-82160.6176.400000113.6I650 A656I650-G654 WeakPolarHBondContact O-CA 3.45Å; I650-G654 PolarHBondContact O-N 2.96Å; G654-A656 VanDerWaalsContact C-N 3.35Å
655S94.1Very high97.8Very high19 Ų1934.9 Ų34.913%0.13317%0.172CC..  trans-92.31.2175.861.10000113.3I544 H657I544-S655 PolarHBondContact N-OG 2.99Å; I544-S655 PolarHBondContact O-N 3.22Å; I544-S655 PolarHBondContact O-OG 3.12Å; S655-H657 PolarHBondContact O-N 2.93Å; S655-H657 VanDerWaalsContact OG-CB 3.24Å; S655-H657 WeakPolarHBondContact OG-CB 3.29Å; S655-H657 PolarHBondContact OG-N 3.27Å
656A95.4Very high97.8Very high28 Ų2840.3 Ų40.323%0.23119%0.192CC..SBendtrans5824.6-168.300000113.8G654 S678 A679 T705G654-A656 VanDerWaalsContact C-N 3.35Å; A656-S678 WeakPolarHBondContact CA-OG 3.41Å; A656-A679 WeakPolarHBondContact O-CB 3.33Å; A656-A679 PolarHBondContact O-N 3.44Å; A656-T705 WeakPolarHBondContact O-CG2 3.44Å
657H95Very high97.7Very high0 Ų046 Ų460%022%0.218CC..SBendtrans-82.5-72.9-179.2-172.4-58.5000111.7H540 C573 S655 A679 C680 T705H540-H657 AromaticContact CE1-CD2 3.64Å; H540-H657 AromaticContact CE1-NE2 3.85Å; H540-H657 AromaticContact ND1-CD2 3.67Å; H540-H657 AromaticContact NE2-CD2 3.99Å; H540-H657 AromaticContact NE2-NE2 3.85Å; C573-H657 PolarHBondContact SG-NE2 3.41Å; S655-H657 PolarHBondContact O-N 2.93Å; S655-H657 VanDerWaalsContact OG-CB 3.24Å; S655-H657 WeakPolarHBondContact OG-CB 3.29Å; S655-H657 PolarHBondContact OG-N 3.27Å; H657-A679 WeakPolarHBondContact O-CB 3.22Å; H657-C680 PolarHBondContact O-N 3.29Å; H657-C680 VanDerWaalsContact O-N 3.15Å; H657-T705 HydrophobicContact CB-CG2 4.29Å
658T97.8Very high97.7Very high0 Ų046.5 Ų46.50%022%0.221CC..EExtended strand (participates in β ladder)trans-151.6128.2-176.5-60.20000110.5C545 C680 F682 T687 S690C545-T658 VanDerWaalsContact CA-O 3.25Å; C545-T658 WeakPolarHBondContact CA-O 3.07Å; C545-T658 WeakPolarHBondContact CB-O 3.17Å; C545-T658 PolarHBondContact SG-O 2.86Å; C545-T658 VanDerWaalsContact SG-O 3.34Å; T658-C680 VanDerWaalsContact CA-O 3.31Å; T658-C680 WeakPolarHBondContact CA-O 3.37Å; T658-C680 HydrophobicContact CG2-CB 3.97Å; T658-F682 HydrophobicContact CG2-CD2 3.85Å; T658-F682 HydrophobicContact CG2-CE2 3.5Å; T658-F682 HydrophobicContact CG2-CZ 3.98Å; T658-T687 HydrophobicContact CG2-CG2 4.17Å; T658-S690 WeakPolarHBondContact OG1-CB 3.5Å; T658-S690 PolarHBondContact OG1-OG 3.37Å
659E98.6Very high97.7Very high0 Ų042.4 Ų42.40%020%0.201CC..EExtended strand (participates in β ladder)trans-128.1144.1-177.6-41.8-57.4158.100109.4H546 I650 F672 V676 S678 C680 V681 F682H546-E659 WeakPolarHBondContact CA-OE2 3.3Å; H546-E659 WeakPolarHBondContact CB-OE2 3.33Å; H546-E659 IonicContact CG-OE2 3.38Å; H546-E659 PolarHBondContact N-OE2 3.44Å; H546-E659 IonicContact ND1-OE2 3.72Å; H546-E659 PolarHBondContact ND1-OE2 3.08Å; I650-E659 HydrophobicContact CD1-CB 4.28Å; I650-E659 HydrophobicContact CD1-CG 4.48Å; I650-E659 HydrophobicContact CG2-CG 3.71Å; E659-F672 HydrophobicContact CB-CE1 4.22Å; E659-F672 HydrophobicContact CB-CZ 4.09Å; E659-V676 HydrophobicContact CB-CG1 3.97Å; E659-V676 HydrophobicContact CG-CG1 3.66Å; E659-S678 WeakPolarHBondContact CG-OG 3.24Å; E659-S678 PolarHBondContact OE1-OG 3.46Å; E659-C680 PolarHBondContact N-O 2.55Å; E659-V681 CarbonylContact O-C 3.59Å; E659-V681 WeakPolarHBondContact O-CA 3.29Å; E659-F682 PolarHBondContact O-N 3.31Å
660C98.7Very high97.7Very high0 Ų045 Ų450%022%0.215CC..EExtended strand (participates in β ladder)trans-128.5138-179.9173.10000110.7H546 V547 Y548 F682 A685 T687H546-C660 PolarHBondContact O-N 3.49Å; V547-C660 CarbonylContact C-O 3.59Å; V547-C660 WeakPolarHBondContact CA-O 3.38Å; V547-C660 HydrophobicContact CG2-CB 4.11Å; Y548-C660 PolarHBondContact N-O 3.45Å; C660-F682 CarbonylContact C-O 3.51Å; C660-F682 VanDerWaalsContact CA-O 3.32Å; C660-F682 WeakPolarHBondContact CA-O 3.36Å; C660-F682 HydrophobicContact CB-CB 4.27Å; C660-A685 PolarHBondContact SG-O 2.9Å; C660-T687 HydrophobicContact CB-CG2 3.86Å
661I98.8Very high97.7Very high0 Ų046.9 Ų46.90%023%0.225CC..EExtended strand (participates in β ladder)trans-106.3139.1163.3-176.8169.7000110.4Y548 V643 T663 T668 F672 F682 V683 N684Y548-I661 HydrophobicContact CD1-CB 4.37Å; Y548-I661 HydrophobicContact CD1-CD1 3.66Å; Y548-I661 HydrophobicContact CD1-CG1 3.69Å; Y548-I661 HydrophobicContact CE1-CD1 3.84Å; Y548-I661 HydrophobicContact CE1-CG1 4.25Å; Y548-I661 CarbonylContact O-C 3.56Å; Y548-I661 WeakPolarHBondContact O-CA 3.32Å; V643-I661 HydrophobicContact CG2-CD1 4.33Å; I661-T663 HydrophobicContact CD1-CG2 3.84Å; I661-T663 HydrophobicContact CG1-CG2 3.95Å; I661-T668 HydrophobicContact CD1-CG2 3.79Å; I661-F672 HydrophobicContact CB-CB 4.29Å; I661-F672 HydrophobicContact CB-CD1 3.61Å; I661-F672 HydrophobicContact CB-CD2 4.16Å; I661-F672 HydrophobicContact CB-CE1 3.84Å; I661-F672 HydrophobicContact CB-CE2 4.36Å; I661-F672 HydrophobicContact CB-CG 3.77Å; I661-F672 HydrophobicContact CB-CZ 4.21Å; I661-F672 HydrophobicContact CD1-CB 3.83Å; I661-F672 HydrophobicContact CD1-CD2 4.23Å; I661-F672 HydrophobicContact CD1-CG 4.04Å; I661-F672 HydrophobicContact CG1-CG 4.46Å; I661-F672 HydrophobicContact CG2-CB 4.07Å; I661-F672 HydrophobicContact CG2-CD1 3.5Å; I661-F672 VanDerWaalsContact CG2-CD1 3.5Å; I661-F672 HydrophobicContact CG2-CE1 4.07Å; I661-F672 HydrophobicContact CG2-CG 3.87Å; I661-F682 PolarHBondContact N-O 3.12Å; I661-V683 HydrophobicContact CG2-CB 4.31Å; I661-V683 HydrophobicContact CG2-CG1 4.31Å; I661-V683 HydrophobicContact CG2-CG2 3.85Å; I661-V683 WeakPolarHBondContact O-CA 3.45Å; I661-N684 PolarHBondContact O-N 3.17Å
662V98.8Very high97.7Very high0 Ų042.1 Ų42.10%020%0.203CC..EExtended strand (participates in β ladder)trans-112.8112168.3-169.60000109.4V547 Y548 D550 C553 A558 I561 N684V547-V662 HydrophobicContact CG1-CG2 3.99Å; Y548-V662 PolarHBondContact O-N 3.43Å; D550-V662 WeakPolarHBondContact CB-O 3.14Å; D550-V662 PolarHBondContact N-O 2.92Å; C553-V662 HydrophobicContact CB-CG1 4.1Å; C553-V662 WeakPolarHBondContact CB-O 3.44Å; A558-V662 HydrophobicContact CB-CB 4.44Å; A558-V662 HydrophobicContact CB-CG1 3.9Å; I561-V662 HydrophobicContact CB-CG2 4.35Å; I561-V662 HydrophobicContact CD1-CG1 4.14Å; I561-V662 HydrophobicContact CD1-CG2 3.91Å; I561-V662 HydrophobicContact CG2-CG2 4.05Å; V662-N684 VanDerWaalsContact CA-OD1 3.29Å; V662-N684 WeakPolarHBondContact CA-OD1 3.35Å; V662-N684 WeakPolarHBondContact CG1-OD1 3.47Å
663T98.6Very high97.8Very high2 Ų236.5 Ų36.51%0.01219%0.187CC..  trans-159.1146.7-178.8-1730000110.6D550 I661 K665 A669 N684D550-T663 WeakPolarHBondContact OD2-CB 3.42Å; D550-T663 PolarHBondContact OD2-OG1 3.44Å; I661-T663 HydrophobicContact CD1-CG2 3.84Å; I661-T663 HydrophobicContact CG1-CG2 3.95Å; T663-K665 VanDerWaalsContact C-N 3.32Å; T663-K665 WeakPolarHBondContact CG2-O 3.27Å; T663-K665 PolarHBondContact OG1-N 2.91Å; T663-A669 HydrophobicContact CG2-CB 3.89Å; T663-N684 PolarHBondContact N-OD1 3.41Å; T663-N684 PolarHBondContact O-ND2 3.1Å; T663-N684 PolarHBondContact O-OD1 2.81Å
664E98.4Very high97.8Very high102 Ų10240.8 Ų40.848%0.47721%0.21SC..SBendtrans-90.5-0.5166.9-57.7-62.5133.800112D552 D554 K557D552-E664 WeakPolarHBondContact O-CB 3.3Å; D552-E664 PolarHBondContact O-N 2.83Å; D554-E664 HydrophobicContact CB-CG 4.29Å; D554-E664 WeakPolarHBondContact CB-OE1 3.43Å; K557-E664 WeakPolarHBondContact CD-OE1 3.33Å; K557-E664 IonicContact NZ-OE1 2.78Å; K557-E664 PolarHBondContact NZ-OE1 3.44Å; K557-E664 IonicContact NZ-OE2 2.75Å; K557-E664 PolarHBondContact NZ-OE2 3.33Å
665K98.2Very high97.9Very high83 Ų8344.1 Ų44.136%0.36122%0.221SC..  trans-96.5110.8-179.9-172.2169.2177.4-178.70111.8D552 T663 E667 T668 A669D552-K665 HydrophobicContact CB-CB 4.05Å; T663-K665 VanDerWaalsContact C-N 3.32Å; T663-K665 WeakPolarHBondContact CG2-O 3.27Å; T663-K665 PolarHBondContact OG1-N 2.91Å; K665-E667 VanDerWaalsContact C-N 3.35Å; K665-E667 WeakPolarHBondContact CE-OE2 3.21Å; K665-E667 WeakPolarHBondContact CG-OE2 3.5Å; K665-E667 PolarHBondContact O-N 3.12Å; K665-T668 WeakPolarHBondContact CD-OG1 3.42Å; K665-T668 PolarHBondContact O-N 2.92Å; K665-A669 PolarHBondContact O-N 3.42Å; K665-A669 VanDerWaalsContact O-N 3.15Å
666E97.9Very high98.1Very high145 Ų14543.6 Ų43.668%0.67822%0.217SC*.Hα-helixtrans-61.3-39.2-176.5-169.6179.117100112.7T668 A669 N670E666-T668 VanDerWaalsContact C-N 3.32Å; E666-T668 PolarHBondContact O-N 3.27Å; E666-A669 PolarHBondContact O-N 3.28Å; E666-N670 WeakPolarHBondContact O-CB 3.4Å; E666-N670 VanDerWaalsContact O-CG 3.31Å; E666-N670 PolarHBondContact O-N 3.41Å; E666-N670 PolarHBondContact O-ND2 3.43Å
667E98.3Very high98.1Very high120 Ų12045.4 Ų45.456%0.56122%0.223SC*.Hα-helixtrans-63.7-39.4179.5-56.889.3173.200111.8K665 N670 I671K665-E667 VanDerWaalsContact C-N 3.35Å; K665-E667 WeakPolarHBondContact CE-OE2 3.21Å; K665-E667 WeakPolarHBondContact CG-OE2 3.5Å; K665-E667 PolarHBondContact O-N 3.12Å; E667-N670 PolarHBondContact O-N 2.79Å; E667-I671 WeakPolarHBondContact O-CG1 3.45Å; E667-I671 PolarHBondContact O-N 3.31Å
668T98.4Very high98.1Very high12 Ų1246 Ų467%0.07423%0.227CC..Hα-helixtrans-66.6-41.2177.2-48.20000111V643 I661 K665 E666 N670 I671 F672V643-T668 HydrophobicContact CB-CG2 3.75Å; V643-T668 HydrophobicContact CG1-CG2 4.13Å; V643-T668 HydrophobicContact CG2-CG2 3.8Å; I661-T668 HydrophobicContact CD1-CG2 3.79Å; K665-T668 WeakPolarHBondContact CD-OG1 3.42Å; K665-T668 PolarHBondContact O-N 2.92Å; E666-T668 VanDerWaalsContact C-N 3.32Å; E666-T668 PolarHBondContact O-N 3.27Å; T668-N670 VanDerWaalsContact C-N 3.33Å; T668-N670 PolarHBondContact O-N 2.9Å; T668-I671 PolarHBondContact O-N 3.06Å; T668-F672 WeakPolarHBondContact O-CB 3.28Å; T668-F672 PolarHBondContact O-N 3.49Å
669A98.5Very high98Very high9 Ų946.9 Ų46.97%0.07424%0.235CC..Hα-helixtrans-62.5-39.6175.800000112.3T663 K665 E666 F672 T673 V683T663-A669 HydrophobicContact CG2-CB 3.89Å; K665-A669 PolarHBondContact O-N 3.42Å; K665-A669 VanDerWaalsContact O-N 3.15Å; E666-A669 PolarHBondContact O-N 3.28Å; A669-F672 PolarHBondContact O-N 3.33Å; A669-T673 WeakPolarHBondContact O-CB 3.46Å; A669-T673 WeakPolarHBondContact O-CG2 3.4Å; A669-T673 PolarHBondContact O-N 2.97Å; A669-T673 PolarHBondContact O-OG1 3Å; A669-V683 HydrophobicContact CB-CG1 3.76Å; A669-V683 HydrophobicContact CB-CG2 4.02Å
670N98.6Very high97.9Very high69 Ų6947.4 Ų47.437%0.36924%0.238SC..Hα-helixtrans-67-42.1177.5-73-24.5000112.2E666 E667 T668 T673 Q674E666-N670 WeakPolarHBondContact O-CB 3.4Å; E666-N670 VanDerWaalsContact O-CG 3.31Å; E666-N670 PolarHBondContact O-N 3.41Å; E666-N670 PolarHBondContact O-ND2 3.43Å; E667-N670 PolarHBondContact O-N 2.79Å; T668-N670 VanDerWaalsContact C-N 3.33Å; T668-N670 PolarHBondContact O-N 2.9Å; N670-T673 WeakPolarHBondContact CA-OG1 3.16Å; N670-T673 PolarHBondContact O-OG1 3.26Å; N670-Q674 WeakPolarHBondContact O-CB 3.48Å; N670-Q674 WeakPolarHBondContact O-CG 3.27Å; N670-Q674 PolarHBondContact O-N 3.35Å; N670-Q674 VanDerWaalsContact O-N 3.1Å
671I98.7Very high97.9Very high44 Ų4449.1 Ų49.123%0.22625%0.248CC..Hα-helixtrans-59-50.3174.1-68.5163.2000110V643 Y644 I647 E667 T668 T673 Q674 E675V643-I671 HydrophobicContact CG1-CG2 4.11Å; V643-I671 HydrophobicContact CG2-CG2 4.45Å; Y644-I671 HydrophobicContact CD1-CG2 4.39Å; Y644-I671 HydrophobicContact CE1-CG2 3.76Å; I647-I671 HydrophobicContact CD1-CG2 3.99Å; E667-I671 WeakPolarHBondContact O-CG1 3.45Å; E667-I671 PolarHBondContact O-N 3.31Å; T668-I671 PolarHBondContact O-N 3.06Å; I671-T673 PolarHBondContact O-N 3.42Å; I671-Q674 PolarHBondContact O-N 3.29Å; I671-E675 WeakPolarHBondContact O-CB 3.41Å; I671-E675 PolarHBondContact O-N 2.96Å
672F98.7Very high97.8Very high0 Ų050.6 Ų50.60%026%0.255CS..Hα-helixtrans-61-46.1-178.8-170.6-92.9000112.6Y548 V643 I647 I650 E659 I661 T668 A669 Q674 V676 V681Y548-F672 HydrophobicContact CD1-CD2 4.18Å; Y548-F672 HydrophobicContact CD1-CE2 4.18Å; V643-F672 HydrophobicContact CG2-CB 4.09Å; V643-F672 HydrophobicContact CG2-CD2 4.07Å; I647-F672 HydrophobicContact CG1-CD2 4.09Å; I650-F672 HydrophobicContact CD1-CE2 3.55Å; I650-F672 HydrophobicContact CD1-CZ 3.55Å; E659-F672 HydrophobicContact CB-CE1 4.22Å; E659-F672 HydrophobicContact CB-CZ 4.09Å; I661-F672 HydrophobicContact CB-CB 4.29Å; I661-F672 HydrophobicContact CB-CD1 3.61Å; I661-F672 HydrophobicContact CB-CD2 4.16Å; I661-F672 HydrophobicContact CB-CE1 3.84Å; I661-F672 HydrophobicContact CB-CE2 4.36Å; I661-F672 HydrophobicContact CB-CG 3.77Å; I661-F672 HydrophobicContact CB-CZ 4.21Å; I661-F672 HydrophobicContact CD1-CB 3.83Å; I661-F672 HydrophobicContact CD1-CD2 4.23Å; I661-F672 HydrophobicContact CD1-CG 4.04Å; I661-F672 HydrophobicContact CG1-CG 4.46Å; I661-F672 HydrophobicContact CG2-CB 4.07Å; I661-F672 HydrophobicContact CG2-CD1 3.5Å; I661-F672 VanDerWaalsContact CG2-CD1 3.5Å; I661-F672 HydrophobicContact CG2-CE1 4.07Å; I661-F672 HydrophobicContact CG2-CG 3.87Å; T668-F672 WeakPolarHBondContact O-CB 3.28Å; T668-F672 PolarHBondContact O-N 3.49Å; A669-F672 PolarHBondContact O-N 3.33Å; F672-Q674 VanDerWaalsContact C-N 3.32Å; F672-Q674 PolarHBondContact O-N 2.98Å; F672-V676 HydrophobicContact CD1-CG2 4.04Å; F672-V676 HydrophobicContact CD2-CG2 3.87Å; F672-V676 HydrophobicContact CE1-CG2 3.94Å; F672-V676 HydrophobicContact CE2-CG2 3.77Å; F672-V676 HydrophobicContact CG-CG2 4.01Å; F672-V676 HydrophobicContact CZ-CG2 3.81Å; F672-V676 VanDerWaalsContact O-CB 3.28Å; F672-V676 WeakPolarHBondContact O-CB 3.39Å; F672-V676 WeakPolarHBondContact O-CG2 3.46Å; F672-V676 PolarHBondContact O-N 2.78Å; F672-V681 HydrophobicContact CD1-CG1 3.55Å; F672-V681 HydrophobicContact CE1-CG1 3.54Å
673T98.2Very high97.8Very high51 Ų5153.2 Ų53.231%0.31327%0.271SS..Hα-helixtrans-69-27-178.849.80000113.9A669 N670 I671 V681 V683A669-T673 WeakPolarHBondContact O-CB 3.46Å; A669-T673 WeakPolarHBondContact O-CG2 3.4Å; A669-T673 PolarHBondContact O-N 2.97Å; A669-T673 PolarHBondContact O-OG1 3Å; N670-T673 WeakPolarHBondContact CA-OG1 3.16Å; N670-T673 PolarHBondContact O-OG1 3.26Å; I671-T673 PolarHBondContact O-N 3.42Å; T673-V681 HydrophobicContact CG2-CG1 4.02Å; T673-V683 HydrophobicContact CG2-CG2 3.48Å; T673-V683 VanDerWaalsContact CG2-CG2 3.48Å
674Q97.6Very high97.8Very high156 Ų15655.8 Ų55.873%0.72929%0.285SS*.Hα-helixtrans-83.2-37177.6-71.4175.511.200113N670 I671 F672N670-Q674 WeakPolarHBondContact O-CB 3.48Å; N670-Q674 WeakPolarHBondContact O-CG 3.27Å; N670-Q674 PolarHBondContact O-N 3.35Å; N670-Q674 VanDerWaalsContact O-N 3.1Å; I671-Q674 PolarHBondContact O-N 3.29Å; F672-Q674 VanDerWaalsContact C-N 3.32Å; F672-Q674 PolarHBondContact O-N 2.98Å
675E98.3Very high97.8Very high86 Ų8652.4 Ų52.440%0.40227%0.274SS..Hα-helixtrans-96.1-23.3-171.3-65.7-172.5-160.800114I647 H651 I671 D677I647-E675 HydrophobicContact CD1-CB 3.88Å; I647-E675 HydrophobicContact CG2-CB 4.13Å; H651-E675 PolarHBondContact CE1-O 3.06Å; H651-E675 VanDerWaalsContact CE1-O 3.26Å; H651-E675 PolarHBondContact NE2-O 3.49Å; I671-E675 WeakPolarHBondContact O-CB 3.41Å; I671-E675 PolarHBondContact O-N 2.96Å; E675-D677 PolarHBondContact O-N 2.98Å
676V97.9Very high97.9Very high9 Ų948.7 Ų48.76%0.05526%0.258CS..  trans-72.5114.5175.7173.30000110.5I647 I650 E659 F672 S678 V681I647-V676 HydrophobicContact CG1-CG2 3.9Å; I647-V676 HydrophobicContact CG2-CG2 4.5Å; I650-V676 HydrophobicContact CD1-CG2 4.33Å; I650-V676 HydrophobicContact CG2-CG1 4.04Å; E659-V676 HydrophobicContact CB-CG1 3.97Å; E659-V676 HydrophobicContact CG-CG1 3.66Å; F672-V676 HydrophobicContact CD1-CG2 4.04Å; F672-V676 HydrophobicContact CD2-CG2 3.87Å; F672-V676 HydrophobicContact CE1-CG2 3.94Å; F672-V676 HydrophobicContact CE2-CG2 3.77Å; F672-V676 HydrophobicContact CG-CG2 4.01Å; F672-V676 HydrophobicContact CZ-CG2 3.81Å; F672-V676 VanDerWaalsContact O-CB 3.28Å; F672-V676 WeakPolarHBondContact O-CB 3.39Å; F672-V676 WeakPolarHBondContact O-CG2 3.46Å; F672-V676 PolarHBondContact O-N 2.78Å; V676-S678 VanDerWaalsContact C-N 3.32Å; V676-S678 PolarHBondContact O-N 3.36Å; V676-S678 VanDerWaalsContact O-N 3.13Å; V676-V681 HydrophobicContact CB-CG1 4.23Å; V676-V681 HydrophobicContact CB-CG2 3.99Å; V676-V681 HydrophobicContact CG1-CG1 4.4Å; V676-V681 HydrophobicContact CG1-CG2 3.74Å
677D95.5Very high97.9Very high65 Ų6541.8 Ų41.835%0.34823%0.226SC..  trans-89.764.9178.4-177.221.6000111.4H651 E675 K707 R711H651-D677 PolarHBondContact NE2-N 2.65Å; E675-D677 PolarHBondContact O-N 2.98Å; D677-K707 WeakPolarHBondContact OD2-CE 3.23Å; D677-K707 IonicContact OD2-NZ 3.57Å; D677-K707 PolarHBondContact OD2-NZ 2.85Å; D677-R711 VanDerWaalsContact C-NH2 3.32Å; D677-R711 PolarHBondContact O-NH2 2.8Å; D677-R711 IonicContact OD1-CZ 2.68Å; D677-R711 VanDerWaalsContact OD1-CZ 3.24Å; D677-R711 IonicContact OD1-NH1 3.14Å; D677-R711 PolarHBondContact OD1-NH1 2.99Å; D677-R711 IonicContact OD1-NH2 3.05Å; D677-R711 PolarHBondContact OD1-NH2 3.35Å
678S95.9Very high97.7Very high13 Ų1336.8 Ų36.89%0.09120%0.202CC..SBendtrans-117160.6176.3-68.40000111.6A656 E659 V676 C680A656-S678 WeakPolarHBondContact CA-OG 3.41Å; E659-S678 WeakPolarHBondContact CG-OG 3.24Å; E659-S678 PolarHBondContact OE1-OG 3.46Å; V676-S678 VanDerWaalsContact C-N 3.32Å; V676-S678 PolarHBondContact O-N 3.36Å; V676-S678 VanDerWaalsContact O-N 3.13Å; S678-C680 PolarHBondContact O-N 2.95Å
679A94.6Very high97.6Very high19 Ų1941 Ų4116%0.15722%0.22CC..SBendtrans-64.2-31.7179.600000112.6A656 H657 R711A656-A679 WeakPolarHBondContact O-CB 3.33Å; A656-A679 PolarHBondContact O-N 3.44Å; H657-A679 WeakPolarHBondContact O-CB 3.22Å; A679-R711 HydrophobicContact CB-CG 3.77Å
680C96.9Very high97.4Very high10 Ų1040.7 Ų40.77%0.06822%0.217CC..EExtended strand (participates in β ladder)trans-136.5135.1172.6-63.20000110.1H657 T658 E659 S678 F682 S690H657-C680 PolarHBondContact O-N 3.29Å; H657-C680 VanDerWaalsContact O-N 3.15Å; T658-C680 VanDerWaalsContact CA-O 3.31Å; T658-C680 WeakPolarHBondContact CA-O 3.37Å; T658-C680 HydrophobicContact CG2-CB 3.97Å; E659-C680 PolarHBondContact N-O 2.55Å; S678-C680 PolarHBondContact O-N 2.95Å; C680-F682 HydrophobicContact CB-CE1 3.72Å; C680-F682 HydrophobicContact CB-CZ 3.84Å; C680-S690 PolarHBondContact SG-OG 3.05Å; C680-S690 VanDerWaalsContact SG-OG 3.4Å
681V98.2Very high96.8Very high37 Ų3739.3 Ų39.322%0.22421%0.209CC..EExtended strand (participates in β ladder)trans-129.3120.9174.9-168.40000108.8E659 F672 T673 V676E659-V681 CarbonylContact O-C 3.59Å; E659-V681 WeakPolarHBondContact O-CA 3.29Å; F672-V681 HydrophobicContact CD1-CG1 3.55Å; F672-V681 HydrophobicContact CE1-CG1 3.54Å; T673-V681 HydrophobicContact CG2-CG1 4.02Å; V676-V681 HydrophobicContact CB-CG1 4.23Å; V676-V681 HydrophobicContact CB-CG2 3.99Å; V676-V681 HydrophobicContact CG1-CG1 4.4Å; V676-V681 HydrophobicContact CG1-CG2 3.74Å
682F98.6Very high96.1Very high30 Ų3037.2 Ų37.213%0.13220%0.199CC..EExtended strand (participates in β ladder)trans-114.2150.8-173.4-59.9-21.2000111.8T658 E659 C660 I661 C680 A685 S686 F689 F695T658-F682 HydrophobicContact CG2-CD2 3.85Å; T658-F682 HydrophobicContact CG2-CE2 3.5Å; T658-F682 HydrophobicContact CG2-CZ 3.98Å; E659-F682 PolarHBondContact O-N 3.31Å; C660-F682 CarbonylContact C-O 3.51Å; C660-F682 VanDerWaalsContact CA-O 3.32Å; C660-F682 WeakPolarHBondContact CA-O 3.36Å; C660-F682 HydrophobicContact CB-CB 4.27Å; I661-F682 PolarHBondContact N-O 3.12Å; C680-F682 HydrophobicContact CB-CE1 3.72Å; C680-F682 HydrophobicContact CB-CZ 3.84Å; F682-A685 HydrophobicContact CB-CB 4.4Å; F682-S686 WeakPolarHBondContact CD2-O 3.48Å; F682-F689 HydrophobicContact CE2-CB 3.99Å; F682-F689 HydrophobicContact CZ-CB 4.36Å; F682-F695 HydrophobicContact CE1-CE1 4.16Å; F682-F695 AromaticContact CE1-CZ 3.77Å; F682-F695 HydrophobicContact CE1-CZ 3.77Å; F682-F695 AromaticContact CZ-CE1 3.81Å; F682-F695 HydrophobicContact CZ-CE1 3.81Å; F682-F695 AromaticContact CZ-CZ 3.63Å; F682-F695 HydrophobicContact CZ-CZ 3.63Å
683V98.7Very high95.2Very high56 Ų5643.1 Ų43.134%0.33922%0.222SC..EExtended strand (participates in β ladder)trans-121.5123.9174.2-178.30000107.5I661 A669 T673 A685I661-V683 HydrophobicContact CG2-CB 4.31Å; I661-V683 HydrophobicContact CG2-CG1 4.31Å; I661-V683 HydrophobicContact CG2-CG2 3.85Å; I661-V683 WeakPolarHBondContact O-CA 3.45Å; A669-V683 HydrophobicContact CB-CG1 3.76Å; A669-V683 HydrophobicContact CB-CG2 4.02Å; T673-V683 HydrophobicContact CG2-CG2 3.48Å; T673-V683 VanDerWaalsContact CG2-CG2 3.48Å; V683-A685 PolarHBondContact O-N 3.46Å; V683-A685 VanDerWaalsContact O-N 3.15Å
684N98.5Very high94.7Very high56 Ų5645.9 Ų45.930%0.29923%0.226SC..SBendtrans53.434.6176.6-61-35.9000114.2I561 I661 V662 T663I561-N684 HydrophobicContact CD1-CB 4.39Å; I561-N684 WeakPolarHBondContact CD1-O 3.47Å; I661-N684 PolarHBondContact O-N 3.17Å; V662-N684 VanDerWaalsContact CA-OD1 3.29Å; V662-N684 WeakPolarHBondContact CA-OD1 3.35Å; V662-N684 WeakPolarHBondContact CG1-OD1 3.47Å; T663-N684 PolarHBondContact N-OD1 3.41Å; T663-N684 PolarHBondContact O-ND2 3.1Å; T663-N684 PolarHBondContact O-OD1 2.81Å
685A98.4Very high94.2Very high31 Ų3142.7 Ų42.726%0.25621%0.21SC..SBendtrans-142.3149.6-179.300000112C660 F682 V683 F689C660-A685 PolarHBondContact SG-O 2.9Å; F682-A685 HydrophobicContact CB-CB 4.4Å; V683-A685 PolarHBondContact O-N 3.46Å; V683-A685 VanDerWaalsContact O-N 3.15Å; A685-F689 HydrophobicContact CB-CD2 4.33Å
686S98.5Very high93.5Very high5 Ų541.6 Ų41.64%0.03522%0.223CC..  trans-62139.2179.1176.60000112.6D564 S565 F682 R688 F689D564-S686 WeakPolarHBondContact OD2-CB 3.46Å; D564-S686 PolarHBondContact OD2-OG 2.88Å; S565-S686 PolarHBondContact N-OG 3.45Å; S565-S686 WeakPolarHBondContact OG-CA 3.24Å; S565-S686 PolarHBondContact OG-OG 3.4Å; F682-S686 WeakPolarHBondContact CD2-O 3.48Å; S686-R688 PolarHBondContact O-N 3.05Å; S686-R688 VanDerWaalsContact O-N 3.15Å; S686-R688 WeakPolarHBondContact OG-CB 3.45Å; S686-R688 PolarHBondContact OG-N 2.89Å; S686-F689 WeakPolarHBondContact O-CB 3.46Å; S686-F689 WeakPolarHBondContact O-CD2 3.48Å; S686-F689 PolarHBondContact O-N 2.8Å; S686-F689 VanDerWaalsContact O-N 3.13Å
687T98Very high92.6Very high0 Ų044 Ų440%023%0.234CC..G310 helixtrans-62.4-22.5174.561.40000112.1V547 S565 N574 T658 C660 F689 S690V547-T687 HydrophobicContact CG2-CG2 4.01Å; S565-T687 WeakPolarHBondContact CB-OG1 3.48Å; S565-T687 PolarHBondContact OG-N 3.42Å; S565-T687 VanDerWaalsContact OG-N 3.08Å; N574-T687 CarbonylContact O-C 3.59Å; N574-T687 VanDerWaalsContact O-CB 3.26Å; N574-T687 WeakPolarHBondContact O-CB 3.18Å; N574-T687 PolarHBondContact O-OG1 3.41Å; T658-T687 HydrophobicContact CG2-CG2 4.17Å; C660-T687 HydrophobicContact CB-CG2 3.86Å; T687-F689 PolarHBondContact O-N 2.78Å; T687-F689 VanDerWaalsContact O-N 3.1Å; T687-S690 WeakPolarHBondContact O-CB 3.48Å; T687-S690 PolarHBondContact O-N 3.16Å
688R95.9Very high91.6Very high15 Ų1541.1 Ų41.16%0.05722%0.22CC..G310 helixtrans-64.2-13176.7-65.4-71.8-61.8128.69.4113.8D564 N568 N574 S686 S690 R694D564-R688 WeakPolarHBondContact O-CG 3.27Å; N568-R688 HydrophobicContact CB-CG 4.37Å; N568-R688 PolarHBondContact OD1-NE 3.33Å; N568-R688 PolarHBondContact OD1-NH2 2.82Å; N574-R688 PolarHBondContact ND2-NH1 3.25Å; N574-R688 PolarHBondContact OD1-NH1 3.48Å; S686-R688 PolarHBondContact O-N 3.05Å; S686-R688 VanDerWaalsContact O-N 3.15Å; S686-R688 WeakPolarHBondContact OG-CB 3.45Å; S686-R688 PolarHBondContact OG-N 2.89Å; R688-S690 PolarHBondContact O-N 3.41Å; R688-R694 VanDerWaalsContact O-CD 3.26Å; R688-R694 WeakPolarHBondContact O-CD 3.37Å; R688-R694 PolarHBondContact O-NE 3.15Å
689F96Very high91Very high100 Ų10040.9 Ų40.944%0.43922%0.22SC..G310 helixtrans-67.6-20.2170.3-79.7-73.4000113.5F682 A685 S686 T687 D691 R694 F695F682-F689 HydrophobicContact CE2-CB 3.99Å; F682-F689 HydrophobicContact CZ-CB 4.36Å; A685-F689 HydrophobicContact CB-CD2 4.33Å; S686-F689 WeakPolarHBondContact O-CB 3.46Å; S686-F689 WeakPolarHBondContact O-CD2 3.48Å; S686-F689 PolarHBondContact O-N 2.8Å; S686-F689 VanDerWaalsContact O-N 3.13Å; T687-F689 PolarHBondContact O-N 2.78Å; T687-F689 VanDerWaalsContact O-N 3.1Å; F689-D691 PolarHBondContact O-N 2.88Å; F689-R694 HydrophobicContact CD1-CB 4.18Å; F689-F695 WeakPolarHBondContact O-CD1 3.32Å; F689-F695 WeakPolarHBondContact O-CE1 3.42Å
690S92.8Very high90.7Very high2 Ų240.9 Ų40.91%0.01422%0.216CC..  trans-71.574.5178.5-172.30000111.5N574 T658 C680 T687 R688N574-S690 PolarHBondContact ND2-O 3.4Å; T658-S690 WeakPolarHBondContact OG1-CB 3.5Å; T658-S690 PolarHBondContact OG1-OG 3.37Å; C680-S690 PolarHBondContact SG-OG 3.05Å; C680-S690 VanDerWaalsContact SG-OG 3.4Å; T687-S690 WeakPolarHBondContact O-CB 3.48Å; T687-S690 PolarHBondContact O-N 3.16Å; R688-S690 PolarHBondContact O-N 3.41Å
691D87.6Confident90.2Very high40 Ų4040.4 Ų40.421%0.21421%0.213CC..SBendtrans-157.7132.4-175175.3-81.8000107.9F689 Y693 R694 F695F689-D691 PolarHBondContact O-N 2.88Å; D691-Y693 PolarHBondContact O-N 3.31Å; D691-Y693 WeakPolarHBondContact OD1-CB 3.27Å; D691-Y693 PolarHBondContact OD1-N 2.8Å; D691-R694 HydrophobicContact CB-CB 4.43Å; D691-R694 HydrophobicContact CB-CG 4.44Å; D691-R694 PolarHBondContact O-N 3.46Å; D691-R694 PolarHBondContact OD1-N 2.95Å; D691-R694 IonicContact OD1-NH1 2.7Å; D691-R694 IonicContact OD2-NH1 2.96Å; D691-F695 PolarHBondContact O-N 3.37Å
692G82.6Confident89.7Confident0 Ų038.8 Ų38.80%020%0.204CC..THydrogen-bonded Turntrans-58.1-34.1-171.900000114F695 G696 L697 E700G692-F695 PolarHBondContact O-N 3.06Å; G692-G696 PolarHBondContact O-N 2.89Å; G692-L697 WeakPolarHBondContact O-CA 3.27Å; G692-L697 VanDerWaalsContact O-CB 3.23Å; G692-L697 WeakPolarHBondContact O-CB 3.25Å; G692-L697 PolarHBondContact O-N 3.09Å; G692-E700 PolarHBondContact N-OE2 2.77Å
693Y81.3Confident89.3Confident124 Ų12437.6 Ų37.649%0.48620%0.199SC..THydrogen-bonded Turntrans-66.7-45.2176.4-179.8-96.9000111.1D691 F695 G696 G698D691-Y693 PolarHBondContact O-N 3.31Å; D691-Y693 WeakPolarHBondContact OD1-CB 3.27Å; D691-Y693 PolarHBondContact OD1-N 2.8Å; Y693-F695 PolarHBondContact O-N 2.83Å; Y693-G696 PolarHBondContact O-N 3.26Å; Y693-G698 WeakPolarHBondContact CD2-O 3.25Å
694R86.3Confident89Confident109 Ų10935.2 Ų35.241%0.41119%0.185SC..THydrogen-bonded Turntrans-66.7-26.3178.4-69.6-177.4-179.577.52113R688 F689 D691 G696R688-R694 VanDerWaalsContact O-CD 3.26Å; R688-R694 WeakPolarHBondContact O-CD 3.37Å; R688-R694 PolarHBondContact O-NE 3.15Å; F689-R694 HydrophobicContact CD1-CB 4.18Å; D691-R694 HydrophobicContact CB-CB 4.43Å; D691-R694 HydrophobicContact CB-CG 4.44Å; D691-R694 PolarHBondContact O-N 3.46Å; D691-R694 PolarHBondContact OD1-N 2.95Å; D691-R694 IonicContact OD1-NH1 2.7Å; D691-R694 IonicContact OD2-NH1 2.96Å; R694-G696 PolarHBondContact O-N 2.98Å
695F87.7Confident88.6Confident89 Ų8934.3 Ų34.339%0.3918%0.181SC..THydrogen-bonded Turntrans-79.4-2.8172.4-79.417.6000113.4F682 F689 D691 G692 Y693 L697 P713F682-F695 HydrophobicContact CE1-CE1 4.16Å; F682-F695 AromaticContact CE1-CZ 3.77Å; F682-F695 HydrophobicContact CE1-CZ 3.77Å; F682-F695 AromaticContact CZ-CE1 3.81Å; F682-F695 HydrophobicContact CZ-CE1 3.81Å; F682-F695 AromaticContact CZ-CZ 3.63Å; F682-F695 HydrophobicContact CZ-CZ 3.63Å; F689-F695 WeakPolarHBondContact O-CD1 3.32Å; F689-F695 WeakPolarHBondContact O-CE1 3.42Å; D691-F695 PolarHBondContact O-N 3.37Å; G692-F695 PolarHBondContact O-N 3.06Å; Y693-F695 PolarHBondContact O-N 2.83Å; F695-L697 HydrophobicContact CB-CD1 4.46Å; F695-L697 HydrophobicContact CB-CG 4.08Å; F695-P713 HydrophobicContact CD2-CB 4.22Å; F695-P713 HydrophobicContact CD2-CG 3.67Å; F695-P713 HydrophobicContact CE2-CG 3.61Å; F695-P713 HydrophobicContact CG-CG 4.38Å; F695-P713 HydrophobicContact CZ-CG 4.27Å
696G82.6Confident88.1Confident64 Ų6434.4 Ų34.466%0.6619%0.185SC*.THydrogen-bonded Turntrans78.218.2-178.500000114.1G692 Y693 R694 G698G692-G696 PolarHBondContact O-N 2.89Å; Y693-G696 PolarHBondContact O-N 3.26Å; R694-G696 PolarHBondContact O-N 2.98Å; G696-G698 PolarHBondContact O-N 3.23Å
697L80.9Confident87.6Confident58 Ų5841.4 Ų41.430%0.30422%0.215SC..  trans-80-6.3175.2-50.5-178.8000112.7G692 F695 A699 P713G692-L697 WeakPolarHBondContact O-CA 3.27Å; G692-L697 VanDerWaalsContact O-CB 3.23Å; G692-L697 WeakPolarHBondContact O-CB 3.25Å; G692-L697 PolarHBondContact O-N 3.09Å; F695-L697 HydrophobicContact CB-CD1 4.46Å; F695-L697 HydrophobicContact CB-CG 4.08Å; L697-A699 PolarHBondContact O-N 3.5Å; L697-P713 HydrophobicContact CD1-CB 4.02Å; L697-P713 WeakPolarHBondContact CD1-O 3.17Å
698G74.2Confident86.8Confident5 Ų549.6 Ų49.65%0.05226%0.257CS..SBendtrans76.6-46.9-177.400000114.1Q401 Y693 G696Q401-G698 VanDerWaalsContact OE1-CA 3.23Å; Y693-G698 WeakPolarHBondContact CD2-O 3.25Å; G696-G698 PolarHBondContact O-N 3.23Å
699A83.1Confident86.2Confident9 Ų953 Ų537%0.07427%0.273CS..  trans-152164.8167.400000110.6I402 L452 L697I402-A699 HydrophobicContact CD1-CB 3.74Å; I402-A699 HydrophobicContact CG1-CB 4.3Å; L452-A699 HydrophobicContact CD1-CB 4.13Å; L452-A699 HydrophobicContact CD2-CB 4.42Å; L452-A699 HydrophobicContact CG-CB 4.41Å; L697-A699 PolarHBondContact O-N 3.5Å
700E87.6Confident85.7Confident18 Ų1849.2 Ų49.28%0.08426%0.261CS..  trans-126.9148.3171.953.8163.5-124.400111.3R519 G692 G702 I703 V714R519-E700 IonicContact NH1-OE1 2.77Å; R519-E700 PolarHBondContact NH1-OE1 3.37Å; G692-E700 PolarHBondContact N-OE2 2.77Å; E700-G702 VanDerWaalsContact C-N 3.3Å; E700-G702 WeakPolarHBondContact OE1-CA 3.43Å; E700-I703 VanDerWaalsContact OE2-CD1 3.26Å; E700-I703 WeakPolarHBondContact OE2-CD1 3.41Å; E700-V714 CarbonylContact C-O 3.54Å; E700-V714 VanDerWaalsContact CA-O 3.23Å; E700-V714 WeakPolarHBondContact CA-O 3.35Å; E700-V714 WeakPolarHBondContact CB-O 3.48Å
701V87.4Confident85.7Confident0 Ų053.7 Ų53.70%028%0.277CS..SBendtrans-75.7-27162.4-65.60000111.1I449 L452 I517 R519 L538 V714 L719I449-V701 HydrophobicContact CG1-CG1 4.32Å; L452-V701 HydrophobicContact CB-CG1 4.33Å; L452-V701 HydrophobicContact CD1-CG1 3.62Å; I517-V701 HydrophobicContact CD1-CB 4.16Å; I517-V701 HydrophobicContact CD1-CG1 4.32Å; I517-V701 HydrophobicContact CD1-CG2 4.07Å; I517-V701 HydrophobicContact CG2-CB 4.41Å; R519-V701 WeakPolarHBondContact CD-O 3.27Å; R519-V701 WeakPolarHBondContact CG-O 3.2Å; R519-V701 PolarHBondContact NE-O 3.37Å; R519-V701 PolarHBondContact NH1-O 2.88Å; L538-V701 HydrophobicContact CD2-CG2 4.21Å; V701-V714 HydrophobicContact CG2-CB 3.65Å; V701-V714 HydrophobicContact CG2-CG1 3.47Å; V701-V714 VanDerWaalsContact CG2-CG1 3.47Å; V701-V714 WeakPolarHBondContact CG2-O 3.32Å; V701-V714 PolarHBondContact N-O 3.45Å; V701-L719 HydrophobicContact CG1-CD1 3.68Å; V701-L719 HydrophobicContact CG1-CD2 4.12Å; V701-L719 HydrophobicContact CG1-CG 4.32Å; V701-L719 HydrophobicContact CG2-CD2 3.91Å
702G88Confident85.9Confident4 Ų451.8 Ų51.84%0.04127%0.268CS..EExtended strand (participates in β ladder)trans156.8-169.2172.600000114.6E700 V714E700-G702 VanDerWaalsContact C-N 3.3Å; E700-G702 WeakPolarHBondContact OE1-CA 3.43Å; G702-V714 VanDerWaalsContact O-CB 3.3Å; G702-V714 WeakPolarHBondContact O-CB 3.06Å; G702-V714 WeakPolarHBondContact O-CG2 2.96Å; G702-V714 PolarHBondContact O-N 3.15Å
703I89.4Confident86.4Confident5 Ų552.6 Ų52.63%0.02627%0.273CS..EExtended strand (participates in β ladder)trans-94.7139.9177.9-50-56.8000109.2H540 E700 G712 P713H540-I703 PolarHBondContact CD2-O 2.98Å; H540-I703 VanDerWaalsContact CD2-O 3.28Å; E700-I703 VanDerWaalsContact OE2-CD1 3.26Å; E700-I703 WeakPolarHBondContact OE2-CD1 3.41Å; I703-G712 WeakPolarHBondContact CA-O 2.93Å; I703-P713 HydrophobicContact CD1-CB 3.87Å; I703-P713 HydrophobicContact CD1-CG 3.6Å
704S92.3Very high86.9Confident5 Ų546.9 Ų46.94%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-118.9127.7171.2174.60000110G706 A710 R711 G712S704-G706 PolarHBondContact OG-N 3.45Å; S704-A710 WeakPolarHBondContact CB-O 3.47Å; S704-A710 PolarHBondContact OG-O 3.46Å; S704-R711 WeakPolarHBondContact O-CA 3.44Å; S704-G712 PolarHBondContact N-O 3.41Å; S704-G712 PolarHBondContact O-N 3.1Å
705T90.4Very high87.1Confident38 Ų3841.9 Ų41.923%0.23323%0.233CC..  trans-96.73170.757.20000112.2H540 A656 H657H540-T705 HydrophobicContact CB-CG2 3.94Å; A656-T705 WeakPolarHBondContact O-CG2 3.44Å; H657-T705 HydrophobicContact CB-CG2 4.29Å
706G88.1Confident87.3Confident33 Ų3338.5 Ų38.534%0.3422%0.219SC..  trans-67.2156.3178.400000113.5S704 R711S704-G706 PolarHBondContact OG-N 3.45Å; G706-R711 WeakPolarHBondContact O-CB 3.44Å; G706-R711 WeakPolarHBondContact O-CD 3.35Å; G706-R711 VanDerWaalsContact O-CG 3.32Å; G706-R711 WeakPolarHBondContact O-CG 3.47Å
707K86.8Confident87.6Confident152 Ų15241.1 Ų41.166%0.66122%0.217SC*.SBendtrans-101.5-13-174.9-65.9-172173.8-1740115.6D677D677-K707 WeakPolarHBondContact OD2-CE 3.23Å; D677-K707 IonicContact OD2-NZ 3.57Å; D677-K707 PolarHBondContact OD2-NZ 2.85Å
708I82.9Confident88.1Confident172 Ų17238.9 Ų38.988%0.88221%0.209SC*.SBendtrans-100.9-36-168-61.9176.7000112.8
709H82.9Confident89.1Confident85 Ų8538.7 Ų38.739%0.39421%0.206SC..SBendtrans-154.2129.7-179.4-174.266.8000111.1M720H709-M720 PolarHBondContact CE1-O 2.71Å; H709-M720 VanDerWaalsContact CE1-O 3.24Å
710A85.1Confident89.6Confident21 Ų2138.6 Ų38.617%0.17421%0.205CC..  trans48.5112.6-173.100000113.9L538 S704 V714L538-A710 HydrophobicContact CD1-CB 4.1Å; S704-A710 WeakPolarHBondContact CB-O 3.47Å; S704-A710 PolarHBondContact OG-O 3.46Å; A710-V714 HydrophobicContact CB-CG1 4.11Å; A710-V714 HydrophobicContact CB-CG2 3.97Å
711R91.6Very high90Very high96 Ų9640.5 Ų40.536%0.36222%0.218SC..  trans-127.9137.6178.8-168.6178.5-173.1-173.84.1109.5D677 A679 S704 G706D677-R711 VanDerWaalsContact C-NH2 3.32Å; D677-R711 PolarHBondContact O-NH2 2.8Å; D677-R711 IonicContact OD1-CZ 2.68Å; D677-R711 VanDerWaalsContact OD1-CZ 3.24Å; D677-R711 IonicContact OD1-NH1 3.14Å; D677-R711 PolarHBondContact OD1-NH1 2.99Å; D677-R711 IonicContact OD1-NH2 3.05Å; D677-R711 PolarHBondContact OD1-NH2 3.35Å; A679-R711 HydrophobicContact CB-CG 3.77Å; S704-R711 WeakPolarHBondContact O-CA 3.44Å; G706-R711 WeakPolarHBondContact O-CB 3.44Å; G706-R711 WeakPolarHBondContact O-CD 3.35Å; G706-R711 VanDerWaalsContact O-CG 3.32Å; G706-R711 WeakPolarHBondContact O-CG 3.47Å
712G93Very high90.4Very high1 Ų143.1 Ų43.11%0.0123%0.234CC..EExtended strand (participates in β ladder)trans87.4-158-170.900000112.1I703 S704 V714I703-G712 WeakPolarHBondContact CA-O 2.93Å; S704-G712 PolarHBondContact N-O 3.41Å; S704-G712 PolarHBondContact O-N 3.1Å; G712-V714 WeakPolarHBondContact O-CG2 3.5Å; G712-V714 PolarHBondContact O-N 3.25Å
713P92Very high90.8Very high17 Ų1748.8 Ų48.811%0.1126%0.257CS..EExtended strand (participates in β ladder)trans-57.3120172-2635000112.9F695 L697 I703 G715F695-P713 HydrophobicContact CD2-CB 4.22Å; F695-P713 HydrophobicContact CD2-CG 3.67Å; F695-P713 HydrophobicContact CE2-CG 3.61Å; F695-P713 HydrophobicContact CG-CG 4.38Å; F695-P713 HydrophobicContact CZ-CG 4.27Å; L697-P713 HydrophobicContact CD1-CB 4.02Å; L697-P713 WeakPolarHBondContact CD1-O 3.17Å; I703-P713 HydrophobicContact CD1-CB 3.87Å; I703-P713 HydrophobicContact CD1-CG 3.6Å; P713-G715 PolarHBondContact O-N 2.93Å
714V92.3Very high91.1Very high3 Ų354.6 Ų54.62%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-97.594.8-175-176.60000109.2L538 E700 V701 G702 A710 G712 L719L538-V714 HydrophobicContact CD1-CG1 3.89Å; L538-V714 HydrophobicContact CD1-CG2 4.21Å; L538-V714 HydrophobicContact CD2-CB 4.31Å; L538-V714 HydrophobicContact CD2-CG1 4.27Å; L538-V714 HydrophobicContact CD2-CG2 3.98Å; L538-V714 HydrophobicContact CG-CG2 4.44Å; E700-V714 CarbonylContact C-O 3.54Å; E700-V714 VanDerWaalsContact CA-O 3.23Å; E700-V714 WeakPolarHBondContact CA-O 3.35Å; E700-V714 WeakPolarHBondContact CB-O 3.48Å; V701-V714 HydrophobicContact CG2-CB 3.65Å; V701-V714 HydrophobicContact CG2-CG1 3.47Å; V701-V714 VanDerWaalsContact CG2-CG1 3.47Å; V701-V714 WeakPolarHBondContact CG2-O 3.32Å; V701-V714 PolarHBondContact N-O 3.45Å; G702-V714 VanDerWaalsContact O-CB 3.3Å; G702-V714 WeakPolarHBondContact O-CB 3.06Å; G702-V714 WeakPolarHBondContact O-CG2 2.96Å; G702-V714 PolarHBondContact O-N 3.15Å; A710-V714 HydrophobicContact CB-CG1 4.11Å; A710-V714 HydrophobicContact CB-CG2 3.97Å; G712-V714 WeakPolarHBondContact O-CG2 3.5Å; G712-V714 PolarHBondContact O-N 3.25Å; V714-L719 HydrophobicContact CG1-CD2 4.2Å
715G91.2Very high91.4Very high4 Ų456.6 Ų56.64%0.04129%0.289CS..  trans-86.8-154.3168.100000112.5P713 D717 G718P713-G715 PolarHBondContact O-N 2.93Å; G715-D717 VanDerWaalsContact C-N 3.34Å; G715-D717 PolarHBondContact O-N 3.35Å; G715-G718 PolarHBondContact O-N 2.94Å
716M91Very high91.7Very high18 Ų1859.8 Ų59.89%0.08930%0.304CS..G310 helixtrans-58.2-41.2180-70.3177.7-7200113.6I402 A405 T409 L452 A455 T456 G718 L719I402-M716 HydrophobicContact CG2-CG 4.27Å; I402-M716 HydrophobicContact CG2-SD 3.8Å; A405-M716 HydrophobicContact CB-CE 3.23Å; A405-M716 HydrophobicContact CB-SD 4.22Å; T409-M716 HydrophobicContact CG2-CB 4.2Å; T409-M716 HydrophobicContact CG2-SD 4.38Å; L452-M716 HydrophobicContact CD2-CG 3.68Å; A455-M716 HydrophobicContact CB-SD 4.1Å; T456-M716 HydrophobicContact CG2-CB 3.61Å; T456-M716 HydrophobicContact CG2-CG 3.91Å; T456-M716 WeakPolarHBondContact CG2-O 3.33Å; M716-G718 PolarHBondContact O-N 3.18Å; M716-L719 PolarHBondContact O-N 3.4Å
717D89.9Confident92.1Very high119 Ų11963.6 Ų63.664%0.63631%0.311SS*.G310 helixtrans-61.9-32.5-177.7-70.5-29.4000112.3G715 L719 M720G715-D717 VanDerWaalsContact C-N 3.34Å; G715-D717 PolarHBondContact O-N 3.35Å; D717-L719 VanDerWaalsContact C-N 3.25Å; D717-L719 PolarHBondContact O-N 3.19Å; D717-M720 PolarHBondContact O-N 2.81Å
718G91.1Very high92.4Very high12 Ų1258.7 Ų58.712%0.12430%0.304CS..G310 helixtrans-79.6-3.4176.900000114.6G715 M716G715-G718 PolarHBondContact O-N 2.94Å; M716-G718 PolarHBondContact O-N 3.18Å
719L94.5Very high92.9Very high0 Ų057.3 Ų57.30%030%0.298CS..G310 helixtrans-106.412.2172.9-57.5-177.1000112.4I432 M435 L452 T456 N458 L515 I517 V701 V714 M716 D717I432-L719 WeakPolarHBondContact CG1-O 3.09Å; M435-L719 HydrophobicContact CE-CD1 4.19Å; M435-L719 HydrophobicContact SD-CB 4.46Å; M435-L719 HydrophobicContact SD-CD1 4.39Å; M435-L719 HydrophobicContact SD-CD2 3.84Å; M435-L719 HydrophobicContact SD-CG 4.46Å; L452-L719 HydrophobicContact CB-CD1 3.74Å; T456-L719 HydrophobicContact CG2-CB 4.16Å; N458-L719 PolarHBondContact ND2-O 3.48Å; L515-L719 HydrophobicContact CD2-CD2 4.48Å; I517-L719 HydrophobicContact CD1-CD2 4.01Å; V701-L719 HydrophobicContact CG1-CD1 3.68Å; V701-L719 HydrophobicContact CG1-CD2 4.12Å; V701-L719 HydrophobicContact CG1-CG 4.32Å; V701-L719 HydrophobicContact CG2-CD2 3.91Å; V714-L719 HydrophobicContact CG1-CD2 4.2Å; M716-L719 PolarHBondContact O-N 3.4Å; D717-L719 VanDerWaalsContact C-N 3.25Å; D717-L719 PolarHBondContact O-N 3.19Å
720M94.9Very high93.4Very high7 Ų756.8 Ų56.83%0.03432%0.315CS..EExtended strand (participates in β ladder)trans-122.9154.8175.6-66.3-171.6-61.400110.1T409 L410 T429 V430 T456 H709 D717T409-M720 HydrophobicContact CG2-CE 3.22Å; T409-M720 HydrophobicContact CG2-SD 3.65Å; L410-M720 HydrophobicContact CD1-CG 4.32Å; L410-M720 HydrophobicContact CD1-SD 3.62Å; T429-M720 HydrophobicContact CG2-CE 4.03Å; V430-M720 CarbonylContact O-C 3.54Å; V430-M720 WeakPolarHBondContact O-CA 3.2Å; V430-M720 WeakPolarHBondContact O-CB 3.15Å; T456-M720 HydrophobicContact CG2-CG 3.87Å; T456-M720 HydrophobicContact CG2-SD 4.32Å; H709-M720 PolarHBondContact CE1-O 2.71Å; H709-M720 VanDerWaalsContact CE1-O 3.24Å; D717-M720 PolarHBondContact O-N 2.81Å
721T94.7Very high93.8Very high59 Ų5957.7 Ų57.736%0.36232%0.316SS..EExtended strand (participates in β ladder)trans-119.7-165.8167.7-169.90000109.3T429 V430T429-T721 CarbonylContact C-O 3.47Å; T429-T721 WeakPolarHBondContact CA-O 3.4Å; V430-T721 HydrophobicContact CG2-CG2 3.63Å; V430-T721 PolarHBondContact N-O 3.02Å; V430-T721 PolarHBondContact O-N 3.38Å
722T95.5Very high93.9Very high55 Ų5555.6 Ų55.634%0.33732%0.319SS..EExtended strand (participates in β ladder)trans-126.4149.4-174.569.80000111.9I414 Q427 I428I414-T722 HydrophobicContact CD1-CG2 3.42Å; I414-T722 VanDerWaalsContact CD1-CG2 3.42Å; Q427-T722 HydrophobicContact CG-CG2 4.43Å; Q427-T722 PolarHBondContact NE2-OG1 3.26Å; I428-T722 CarbonylContact O-C 3.55Å; I428-T722 WeakPolarHBondContact O-CA 3.27Å
723K96.2Very high94Very high122 Ų12261.2 Ų61.253%0.5335%0.353SS..EExtended strand (participates in β ladder)trans-128133.4174.9179.8178.1179.5177.90110Q427 I428 V430 I725Q427-K723 WeakPolarHBondContact CA-O 3.41Å; I428-K723 HydrophobicContact CG1-CB 4.3Å; I428-K723 PolarHBondContact N-O 3.03Å; I428-K723 PolarHBondContact O-N 3.04Å; V430-K723 HydrophobicContact CG1-CB 3.64Å; V430-K723 HydrophobicContact CG1-CD 4.36Å; V430-K723 HydrophobicContact CG2-CB 4.05Å; K723-I725 HydrophobicContact CG-CG1 4.36Å
724W97.4Very high94.1Very high127 Ų12762.2 Ų62.248%0.48137%0.367SS..EExtended strand (participates in β ladder)trans-85.6132.1171.5-65.591.8000110.7L425 E426 Q427L425-W724 HydrophobicContact CD1-CB 4.33Å; L425-W724 HydrophobicContact CD1-CE3 3.69Å; L425-W724 HydrophobicContact CD1-CZ3 4.4Å; L425-W724 HydrophobicContact CD2-CE3 3.61Å; L425-W724 HydrophobicContact CD2-CZ3 3.5Å; L425-W724 VanDerWaalsContact CD2-CZ3 3.5Å; L425-W724 HydrophobicContact CG-CE3 3.53Å; L425-W724 HydrophobicContact CG-CZ3 3.76Å; E426-W724 CarbonylContact O-C 3.55Å; E426-W724 WeakPolarHBondContact O-CA 3.41Å; Q427-W724 HydrophobicContact CB-CD2 4.07Å; Q427-W724 HydrophobicContact CB-CE3 3.84Å; Q427-W724 HydrophobicContact CB-CH2 4.27Å; Q427-W724 HydrophobicContact CB-CZ2 4.41Å; Q427-W724 HydrophobicContact CB-CZ3 3.96Å; Q427-W724 HydrophobicContact CG-CD2 4.08Å; Q427-W724 HydrophobicContact CG-CE3 4.36Å; Q427-W724 HydrophobicContact CG-CZ2 4.23Å
725I97.1Very high94.1Very high48 Ų4863.9 Ų63.925%0.24638%0.376CS..EExtended strand (participates in β ladder)trans-126.1110.5178.3-58.5-178.7000107.4E426 I428 K723 K727E426-I725 PolarHBondContact N-O 3.37Å; E426-I725 PolarHBondContact O-N 3.32Å; I428-I725 HydrophobicContact CD1-CD1 3.47Å; I428-I725 VanDerWaalsContact CD1-CD1 3.47Å; I428-I725 HydrophobicContact CG1-CD1 3.87Å; I428-I725 HydrophobicContact CG1-CG1 4.46Å; K723-I725 HydrophobicContact CG-CG1 4.36Å; I725-K727 HydrophobicContact CG2-CG 4.15Å
726L97Very high94.2Very high105 Ų10564.9 Ų64.955%0.5538%0.379SS..EExtended strand (participates in β ladder)trans-98.5119.3173.5-174.464.6000109.2I419 L423 L424 L425I419-L726 HydrophobicContact CG1-CD1 4.28Å; L423-L726 HydrophobicContact CD1-CD1 3.67Å; L423-L726 HydrophobicContact CD1-CD2 4.18Å; L423-L726 HydrophobicContact CD1-CG 3.86Å; L423-L726 HydrophobicContact CG-CD1 3.9Å; L424-L726 WeakPolarHBondContact O-CA 3.32Å; L425-L726 HydrophobicContact CB-CD1 3.96Å; L425-L726 HydrophobicContact CD1-CB 4.03Å; L425-L726 HydrophobicContact CD1-CD1 4.09Å
727K96Very high94.3Very high113 Ų11370.2 Ų70.249%0.49140%0.404SS..EExtended strand (participates in β ladder)trans-108.4115.6175.4-65.9170.8-176.7157.70108.3L423 L424 E426 I725L423-K727 WeakPolarHBondContact CA-O 3.49Å; L424-K727 PolarHBondContact N-O 2.74Å; L424-K727 PolarHBondContact O-N 2.76Å; E426-K727 IonicContact OE2-NZ 2.89Å; E426-K727 PolarHBondContact OE2-NZ 3.37Å; I725-K727 HydrophobicContact CG2-CG 4.15Å
728G94.5Very high94.2Very high49 Ų4971.2 Ų71.251%0.50542%0.417SS..  trans-126.2177.7177.700000112
729N92.9Very high94Very high142 Ų14280.1 Ų80.176%0.75946%0.455SS*.SBendtrans-125.758176.8-170.225.1000109.8H731N729-H731 PolarHBondContact N-CE1 3.42Å; N729-H731 PolarHBondContact N-ND1 3.02Å
730G92.6Very high93.7Very high74 Ų7481.1 Ų81.176%0.76347%0.466SS*.SBendtrans79.615.7-177.600000115.3A732G730-A732 PolarHBondContact O-N 2.89Å
731H94.7Very high93.6Very high40 Ų4086.3 Ų86.319%0.18550%0.5CS..  trans-58.6126.8175-58.474.5000111.3D421 G422 L423 N729 F736 K742D421-H731 PolarHBondContact O-NE2 3.19Å; G422-H731 VanDerWaalsContact C-CE1 3.45Å; G422-H731 PolarHBondContact O-CE1 3.19Å; L423-H731 HydrophobicContact CD1-CB 4.15Å; L423-H731 HydrophobicContact CD2-CB 4.14Å; N729-H731 PolarHBondContact N-CE1 3.42Å; N729-H731 PolarHBondContact N-ND1 3.02Å; H731-F736 HydrophobicContact CB-CE2 4.23Å; H731-F736 AromaticContact CD2-CZ 3.99Å; H731-K742 PolarHBondContact CD2-NZ 3.4Å
732A94.5Very high93.5Very high52 Ų5286.3 Ų86.343%0.4350%0.495SS..  trans-113.2152.9172.100000110.1G730 G734 D735 F736G730-A732 PolarHBondContact O-N 2.89Å; A732-G734 PolarHBondContact O-N 2.76Å; A732-G734 VanDerWaalsContact O-N 3.17Å; A732-D735 PolarHBondContact N-OD2 2.97Å; A732-D735 VanDerWaalsContact N-OD2 3.1Å; A732-D735 VanDerWaalsContact O-CB 3.25Å; A732-D735 WeakPolarHBondContact O-CB 3.43Å; A732-D735 PolarHBondContact O-N 3.46Å; A732-F736 WeakPolarHBondContact O-CD2 3.37Å
733V93.6Very high93.3Very high119 Ų11992.1 Ų92.172%0.72152%0.515SS*.G310 helixtrans-58.8-31.5179.1179.30000111.7D735 F736V733-D735 PolarHBondContact O-N 3.09Å; V733-F736 PolarHBondContact O-N 3.08Å; V733-F736 VanDerWaalsContact O-N 3.14Å
734G93.6Very high93.1Very high39 Ų3991.8 Ų91.840%0.40251%0.511SS..G310 helixtrans-58.7-29.7174.200000113.9A732 F736 Q737A732-G734 PolarHBondContact O-N 2.76Å; A732-G734 VanDerWaalsContact O-N 3.17Å; G734-F736 PolarHBondContact O-N 3Å; G734-F736 VanDerWaalsContact O-N 3.16Å; G734-Q737 PolarHBondContact O-N 3.48Å
735D92.6Very high93Very high38 Ų3889.2 Ų89.220%0.20351%0.51CS..G310 helixtrans-64.1-22179-62.1-21.2000112.6A732 V733 G740 P741 K742A732-D735 PolarHBondContact N-OD2 2.97Å; A732-D735 VanDerWaalsContact N-OD2 3.1Å; A732-D735 VanDerWaalsContact O-CB 3.25Å; A732-D735 WeakPolarHBondContact O-CB 3.43Å; A732-D735 PolarHBondContact O-N 3.46Å; V733-D735 PolarHBondContact O-N 3.09Å; D735-G740 CarbonylContact O-C 3.55Å; D735-G740 VanDerWaalsContact O-C 3.25Å; D735-G740 VanDerWaalsContact O-CA 3.31Å; D735-G740 WeakPolarHBondContact O-CA 3.48Å; D735-P741 HydrophobicContact CB-CG 4.26Å; D735-P741 WeakPolarHBondContact O-CD 3.31Å; D735-K742 HydrophobicContact CB-CB 4.12Å; D735-K742 HydrophobicContact CB-CD 3.85Å; D735-K742 HydrophobicContact CB-CG 4.06Å; D735-K742 PolarHBondContact O-N 3.17Å; D735-K742 IonicContact OD2-NZ 3.74Å; D735-K742 PolarHBondContact OD2-NZ 2.92Å
736F94.8Very high92.8Very high25 Ų2592.3 Ų92.311%0.1152%0.523CS..G310 helixtrans-105.28.3-172.8-63.4-86.1000113.9A420 L423 H731 A732 V733 G734 K742 Y744A420-F736 HydrophobicContact CB-CE1 3.54Å; A420-F736 HydrophobicContact CB-CZ 3.72Å; L423-F736 HydrophobicContact CD2-CE2 4.2Å; L423-F736 HydrophobicContact CD2-CZ 3.83Å; H731-F736 HydrophobicContact CB-CE2 4.23Å; H731-F736 AromaticContact CD2-CZ 3.99Å; A732-F736 WeakPolarHBondContact O-CD2 3.37Å; V733-F736 PolarHBondContact O-N 3.08Å; V733-F736 VanDerWaalsContact O-N 3.14Å; G734-F736 PolarHBondContact O-N 3Å; G734-F736 VanDerWaalsContact O-N 3.16Å; F736-K742 HydrophobicContact CD1-CB 3.93Å; F736-K742 HydrophobicContact CE1-CB 3.7Å; F736-K742 HydrophobicContact CE2-CD 4.43Å; F736-K742 HydrophobicContact CG-CB 4.45Å; F736-K742 HydrophobicContact CZ-CB 4.06Å; F736-K742 HydrophobicContact CZ-CD 4.11Å; F736-Y744 HydrophobicContact CB-CD2 4.36Å; F736-Y744 HydrophobicContact CB-CE1 4.29Å; F736-Y744 HydrophobicContact CB-CE2 3.61Å; F736-Y744 AromaticContact CD1-CD1 3.8Å; F736-Y744 HydrophobicContact CD1-CD1 3.8Å; F736-Y744 HydrophobicContact CD1-CD2 4.2Å; F736-Y744 AromaticContact CD1-CE1 3.65Å; F736-Y744 HydrophobicContact CD1-CE1 3.65Å; F736-Y744 HydrophobicContact CD1-CE2 4.08Å; F736-Y744 HydrophobicContact CD1-CG 4.07Å; F736-Y744 AromaticContact CD1-CZ 3.81Å; F736-Y744 HydrophobicContact CD2-CE1 4.28Å; F736-Y744 AromaticContact CE1-CD1 3.97Å; F736-Y744 HydrophobicContact CE1-CD1 3.97Å; F736-Y744 AromaticContact CE1-CE1 3.97Å; F736-Y744 HydrophobicContact CE1-CE1 3.97Å; F736-Y744 HydrophobicContact CG-CD1 4.41Å; F736-Y744 AromaticContact CG-CE1 3.82Å; F736-Y744 HydrophobicContact CG-CE1 3.82Å; F736-Y744 HydrophobicContact CG-CE2 4.03Å; F736-Y744 AromaticContact CG-CZ 3.6Å; F736-Y744 HydrophobicContact CZ-CE1 4.4Å
737Q93.1Very high92.6Very high129 Ų12992.4 Ų92.460%0.60352%0.52SS*.SBendtrans-63.8163.8171.4-70.7-173.2-5.100110.8G734 Q739 G740G734-Q737 PolarHBondContact O-N 3.48Å; Q737-Q739 PolarHBondContact O-N 2.99Å; Q737-G740 WeakPolarHBondContact O-CA 3.25Å; Q737-G740 PolarHBondContact O-N 2.92Å
738P87.5Confident92.4Very high140 Ų14091.4 Ų91.491%0.90952%0.521SS*.THydrogen-bonded Turntrans-54.6-29-177-28.235.5000115.1
739Q87.4Confident92.1Very high199 Ų19993.3 Ų93.393%0.9352%0.517SS*.THydrogen-bonded Turntrans-103.75174.8-59.2-172.17.300113.5Q737Q737-Q739 PolarHBondContact O-N 2.99Å
740G87.6Confident91.5Very high22 Ų2289.3 Ų89.323%0.22750%0.496CS..SBendtrans-72.1158.1-179.500000112.6D735 Q737 K742D735-G740 CarbonylContact O-C 3.55Å; D735-G740 VanDerWaalsContact O-C 3.25Å; D735-G740 VanDerWaalsContact O-CA 3.31Å; D735-G740 WeakPolarHBondContact O-CA 3.48Å; Q737-G740 WeakPolarHBondContact O-CA 3.25Å; Q737-G740 PolarHBondContact O-N 2.92Å; G740-K742 PolarHBondContact O-N 2.9Å
741P91.9Very high90Very high115 Ų11590.4 Ų90.475%0.74749%0.492SS*.SBendtrans-69.6-12.6-177.428.1-37.1000114.7D735D735-P741 HydrophobicContact CB-CG 4.26Å; D735-P741 WeakPolarHBondContact O-CD 3.31Å
742K92.1Very high88Confident60 Ų6095.4 Ų95.426%0.26153%0.525SS..  trans-122.6157.1-174.2-62.2-177.3-173.9154.90111.7H731 D735 F736 G740H731-K742 PolarHBondContact CD2-NZ 3.4Å; D735-K742 HydrophobicContact CB-CB 4.12Å; D735-K742 HydrophobicContact CB-CD 3.85Å; D735-K742 HydrophobicContact CB-CG 4.06Å; D735-K742 PolarHBondContact O-N 3.17Å; D735-K742 IonicContact OD2-NZ 3.74Å; D735-K742 PolarHBondContact OD2-NZ 2.92Å; F736-K742 HydrophobicContact CD1-CB 3.93Å; F736-K742 HydrophobicContact CE1-CB 3.7Å; F736-K742 HydrophobicContact CE2-CD 4.43Å; F736-K742 HydrophobicContact CG-CB 4.45Å; F736-K742 HydrophobicContact CZ-CB 4.06Å; F736-K742 HydrophobicContact CZ-CD 4.11Å; G740-K742 PolarHBondContact O-N 2.9Å
743K91.2Very high85.6Confident177 Ų177100.5 Ų100.577%0.7757%0.567SS**  trans-131.2149.2176.2-64.9-176.1-179.61800110.4
744Y93.7Very high85.2Confident114 Ų11499.6 Ų99.645%0.44756%0.559SS.*  trans-73136.6171.1-64.3-66.2000110.3I419 F736 H746I419-Y744 HydrophobicContact CG2-CD1 3.64Å; I419-Y744 HydrophobicContact CG2-CE1 3.9Å; I419-Y744 WeakPolarHBondContact O-CA 3.47Å; F736-Y744 HydrophobicContact CB-CD2 4.36Å; F736-Y744 HydrophobicContact CB-CE1 4.29Å; F736-Y744 HydrophobicContact CB-CE2 3.61Å; F736-Y744 AromaticContact CD1-CD1 3.8Å; F736-Y744 HydrophobicContact CD1-CD1 3.8Å; F736-Y744 HydrophobicContact CD1-CD2 4.2Å; F736-Y744 AromaticContact CD1-CE1 3.65Å; F736-Y744 HydrophobicContact CD1-CE1 3.65Å; F736-Y744 HydrophobicContact CD1-CE2 4.08Å; F736-Y744 HydrophobicContact CD1-CG 4.07Å; F736-Y744 AromaticContact CD1-CZ 3.81Å; F736-Y744 HydrophobicContact CD2-CE1 4.28Å; F736-Y744 AromaticContact CE1-CD1 3.97Å; F736-Y744 HydrophobicContact CE1-CD1 3.97Å; F736-Y744 AromaticContact CE1-CE1 3.97Å; F736-Y744 HydrophobicContact CE1-CE1 3.97Å; F736-Y744 HydrophobicContact CG-CD1 4.41Å; F736-Y744 AromaticContact CG-CE1 3.82Å; F736-Y744 HydrophobicContact CG-CE1 3.82Å; F736-Y744 HydrophobicContact CG-CE2 4.03Å; F736-Y744 AromaticContact CG-CZ 3.6Å; F736-Y744 HydrophobicContact CZ-CE1 4.4Å; Y744-H746 AromaticContact CD1-NE2 3.51Å; Y744-H746 AromaticContact CG-CE1 3.88Å; Y744-H746 AromaticContact CG-NE2 3.72Å
745V93.7Very high84.7Confident73 Ų73102.8 Ų102.844%0.44257%0.568SS.*  trans-110.5-33.5172.2-59.10000112.3K418 I419 E747K418-V745 HydrophobicContact CB-CG2 4.34Å; K418-V745 HydrophobicContact CD-CG2 4.14Å; K418-V745 HydrophobicContact CG-CG2 3.94Å; K418-V745 VanDerWaalsContact O-CG2 3.32Å; K418-V745 WeakPolarHBondContact O-CG2 3.43Å; I419-V745 PolarHBondContact O-N 3.17Å; V745-E747 HydrophobicContact CG2-CB 4.46Å; V745-E747 PolarHBondContact O-N 3.47Å
746H93.2Very high84.3Confident113 Ų113106.4 Ų106.452%0.52359%0.588SS.*  trans49.139.5178.4-59.8153.1000114.8K418 I419 Y744K418-H746 CarbonylContact O-C 3.57Å; K418-H746 VanDerWaalsContact O-CA 3.24Å; K418-H746 WeakPolarHBondContact O-CA 3.15Å; K418-H746 PolarHBondContact O-N 2.82Å; K418-H746 VanDerWaalsContact O-N 3.11Å; I419-H746 PolarHBondContact O-N 3.02Å; Y744-H746 AromaticContact CD1-NE2 3.51Å; Y744-H746 AromaticContact CG-CE1 3.88Å; Y744-H746 AromaticContact CG-NE2 3.72Å
747E93.4Very high83.7Confident107 Ų107111.2 Ų111.250%0.562%0.616SS.*EExtended strand (participates in β ladder)trans-79.3126.7-178.3-176.4-172.9173.200110.2T417 K418 V745 M749T417-E747 CarbonylContact C-O 3.53Å; T417-E747 WeakPolarHBondContact CA-O 3Å; K418-E747 HydrophobicContact CB-CB 4.22Å; K418-E747 PolarHBondContact N-O 3.12Å; K418-E747 PolarHBondContact O-N 3.44Å; V745-E747 HydrophobicContact CG2-CB 4.46Å; V745-E747 PolarHBondContact O-N 3.47Å; E747-M749 PolarHBondContact O-N 3.46Å
748N92Very high83.1Confident93 Ų93110.1 Ų110.150%0.49762%0.617SS.*EExtended strand (participates in β ladder)trans-73.9119.6172.7-1742.7000109.5R416 L750R416-N748 PolarHBondContact O-OD1 2.83Å; N748-L750 PolarHBondContact OD1-N 3.12Å; N748-L750 VanDerWaalsContact OD1-N 3.14Å; N748-L750 PolarHBondContact OD1-O 2.86Å
749M88.4Confident82.8Confident88 Ų88108.1 Ų108.143%0.43360%0.597SS.*  trans-100.8-9-176.7-62.9-168.977.800113.7R416 K418 L424 E747R416-M749 HydrophobicContact CB-CB 4.3Å; R416-M749 HydrophobicContact CG-CB 4.01Å; R416-M749 PolarHBondContact O-N 3Å; K418-M749 HydrophobicContact CB-CG 3.9Å; K418-M749 HydrophobicContact CB-SD 3.7Å; K418-M749 HydrophobicContact CG-SD 4.48Å; L424-M749 HydrophobicContact CD1-SD 3.42Å; L424-M749 WeakPolarHBondContact CD1-SD 3.31Å; E747-M749 PolarHBondContact O-N 3.46Å
750L79.8Confident82.5Confident58 Ų58101.6 Ų101.630%0.30457%0.574SS.*  trans-90108.7173.5-103.9164.3000107.9C413 R416 N748 V752C413-L750 HydrophobicContact CB-CD1 4.41Å; R416-L750 HydrophobicContact CB-CB 4.16Å; R416-L750 HydrophobicContact CB-CD1 3.65Å; R416-L750 HydrophobicContact CB-CG 3.75Å; N748-L750 PolarHBondContact OD1-N 3.12Å; N748-L750 VanDerWaalsContact OD1-N 3.14Å; N748-L750 PolarHBondContact OD1-O 2.86Å; L750-V752 PolarHBondContact O-N 2.85Å
751S61.2Low82.1Confident97 Ų97107.7 Ų107.768%0.67860%0.6SS**  trans-62.1129.2157.654.10000106.9A753S751-A753 PolarHBondContact O-N 3.31Å
752V52.7Low81.3Confident145 Ų145107.1 Ų107.188%0.87959%0.588SS**  trans-54.4112.4166.1-173.30000105.8L750L750-V752 PolarHBondContact O-N 2.85Å
753A43.9Very low80.3Confident160 Ų160111.4 Ų111.4100%1.32262%0.618SS**  trans-73.60171.400000109.4S751S751-A753 PolarHBondContact O-N 3.31Å

Retrieved 753 of 753 residues in 2906.8 ms (Link to these results)

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