A0A5K4F2W3_SCHMA Loading...

Ofd1_CTDD domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2W3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 586 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
1M48.7Very low77.8Confident192 Ų192104.5 Ų104.595%0.94654%0.54SS*.  0-36.80-90.6-169.9-103.200112.6E3 T4M1-E3 PolarHBondContact O-N 2.84Å; M1-T4 PolarHBondContact O-OG1 3.18Å
2A56.7Low79.3Confident45 Ų45102.3 Ų102.337%0.37253%0.526SS..G310 helixtrans-63.2-32.3-179.300000115.4T4 M5 M10A2-T4 PolarHBondContact O-N 3.02Å; A2-T4 VanDerWaalsContact O-N 3.12Å; A2-M5 PolarHBondContact O-N 3.13Å; A2-M10 HydrophobicContact CB-CE 3.77Å; A2-M10 WeakPolarHBondContact O-CE 3.25Å
3E59.4Low80.5Confident200 Ų20096.4 Ų96.494%0.93550%0.499SS*.G310 helixtrans-67.9-11.9-172.9-69.2-178.3165.300115.5M1M1-E3 PolarHBondContact O-N 2.84Å
4T68.7Low81.6Confident127 Ų12789.9 Ų89.978%0.77947%0.466SS*.G310 helixtrans-109.8-9.9179.654.50000114.1M1 A2M1-T4 PolarHBondContact O-OG1 3.18Å; A2-T4 PolarHBondContact O-N 3.02Å; A2-T4 VanDerWaalsContact O-N 3.12Å
5M73.4Confident82.6Confident64 Ų6485.5 Ų85.532%0.31544%0.443SS..SBendtrans-88135.4-178.7-73.5178.6160.100110A2 Q9 M10A2-M5 PolarHBondContact O-N 3.13Å; M5-Q9 HydrophobicContact CB-CB 4.15Å; M5-Q9 HydrophobicContact CG-CB 4.39Å; M5-M10 HydrophobicContact CB-CB 4.48Å
6D87Confident83.4Confident84 Ų8485.4 Ų85.445%0.44944%0.439SS..  trans-68.1163.6166.174.439.8000110.6K8 Q9 M10D6-K8 PolarHBondContact O-N 2.88Å; D6-K8 WeakPolarHBondContact OD1-CA 3.27Å; D6-K8 WeakPolarHBondContact OD1-CB 3.23Å; D6-K8 PolarHBondContact OD1-N 2.73Å; D6-Q9 PolarHBondContact O-N 3.22Å; D6-Q9 WeakPolarHBondContact OD1-CG 3.49Å; D6-Q9 PolarHBondContact OD1-N 3.4Å; D6-M10 PolarHBondContact O-N 2.82Å
7T89.2Confident84.1Confident96 Ų9681.5 Ų81.559%0.58942%0.419SS*.Hα-helixtrans-57-35.7-177.7-530000112.6M10 V11T7-M10 PolarHBondContact O-N 3.47Å; T7-V11 HydrophobicContact CG2-CG2 4.46Å; T7-V11 WeakPolarHBondContact O-CG2 3.36Å; T7-V11 PolarHBondContact O-N 3.41Å
8K91.2Very high84.8Confident173 Ų17377 Ų7775%0.75240%0.396SS*.Hα-helixtrans-69.7-43.4-179.2-67.9-173.9174.7-1720111D6 M10 V11 Q12D6-K8 PolarHBondContact O-N 2.88Å; D6-K8 WeakPolarHBondContact OD1-CA 3.27Å; D6-K8 WeakPolarHBondContact OD1-CB 3.23Å; D6-K8 PolarHBondContact OD1-N 2.73Å; K8-M10 VanDerWaalsContact C-N 3.34Å; K8-V11 PolarHBondContact O-N 3.2Å; K8-Q12 WeakPolarHBondContact O-CB 3.39Å; K8-Q12 PolarHBondContact O-N 2.98Å
9Q93.1Very high85.4Confident98 Ų9877.4 Ų77.446%0.45840%0.396SS..Hα-helixtrans-61.7-43.2175.7-70173.7-16.600111.2M5 D6 Q12 S13M5-Q9 HydrophobicContact CB-CB 4.15Å; M5-Q9 HydrophobicContact CG-CB 4.39Å; D6-Q9 PolarHBondContact O-N 3.22Å; D6-Q9 WeakPolarHBondContact OD1-CG 3.49Å; D6-Q9 PolarHBondContact OD1-N 3.4Å; Q9-Q12 PolarHBondContact O-N 3.23Å; Q9-S13 PolarHBondContact O-N 3.26Å; Q9-S13 PolarHBondContact O-OG 3.06Å; Q9-S13 VanDerWaalsContact O-OG 3.12Å
10M93.1Very high85.8Confident65 Ų6579.6 Ų79.632%0.3240%0.402SS..Hα-helixtrans-62.8-47.2178.9-171.2176.2-59.900112.2A2 M5 D6 T7 K8 Q12 S13 V14A2-M10 HydrophobicContact CB-CE 3.77Å; A2-M10 WeakPolarHBondContact O-CE 3.25Å; M5-M10 HydrophobicContact CB-CB 4.48Å; D6-M10 PolarHBondContact O-N 2.82Å; T7-M10 PolarHBondContact O-N 3.47Å; K8-M10 VanDerWaalsContact C-N 3.34Å; M10-Q12 VanDerWaalsContact C-N 3.31Å; M10-Q12 PolarHBondContact O-N 2.98Å; M10-S13 PolarHBondContact O-N 3.42Å; M10-V14 WeakPolarHBondContact O-CG2 3.33Å; M10-V14 PolarHBondContact O-N 2.87Å
11V95.2Very high86.2Confident5 Ų576.1 Ų76.13%0.0339%0.385CS..Hα-helixtrans-60.7-42.7176.8174.90000110.8T7 K8 V14 E15 W115 L117 R161 N162T7-V11 HydrophobicContact CG2-CG2 4.46Å; T7-V11 WeakPolarHBondContact O-CG2 3.36Å; T7-V11 PolarHBondContact O-N 3.41Å; K8-V11 PolarHBondContact O-N 3.2Å; V11-V14 PolarHBondContact O-N 3.4Å; V11-E15 PolarHBondContact O-N 3.25Å; V11-W115 HydrophobicContact CG2-CZ2 4.22Å; V11-L117 HydrophobicContact CG1-CD2 4.06Å; V11-R161 HydrophobicContact CG1-CG 4.25Å; V11-N162 HydrophobicContact CG1-CB 4.22Å; V11-N162 HydrophobicContact CG2-CB 3.86Å; V11-N162 VanDerWaalsContact CG2-CG 3.43Å; V11-N162 WeakPolarHBondContact CG2-OD1 3.31Å
12Q95.6Very high88.3Confident78 Ų7871 Ų7136%0.36437%0.366SS..Hα-helixtrans-60.7-45.4176.1-174.262.743.100112K8 Q9 M10 V14 E15 E16K8-Q12 WeakPolarHBondContact O-CB 3.39Å; K8-Q12 PolarHBondContact O-N 2.98Å; Q9-Q12 PolarHBondContact O-N 3.23Å; M10-Q12 VanDerWaalsContact C-N 3.31Å; M10-Q12 PolarHBondContact O-N 2.98Å; Q12-V14 VanDerWaalsContact C-N 3.35Å; Q12-V14 PolarHBondContact O-N 2.73Å; Q12-E15 WeakPolarHBondContact O-CB 3.1Å; Q12-E15 PolarHBondContact O-N 3.12Å; Q12-E16 WeakPolarHBondContact O-CG 3.32Å; Q12-E16 PolarHBondContact O-N 3.42Å
13S95.6Very high90.1Very high26 Ų2671 Ų7118%0.18236%0.357CS..Hα-helixtrans-67.5-34.7178.7-60.40000112.6Q9 M10 E16 E17Q9-S13 PolarHBondContact O-N 3.26Å; Q9-S13 PolarHBondContact O-OG 3.06Å; Q9-S13 VanDerWaalsContact O-OG 3.12Å; M10-S13 PolarHBondContact O-N 3.42Å; S13-E16 PolarHBondContact O-N 3.19Å; S13-E17 PolarHBondContact O-N 3.4Å
14V96Very high91.8Very high5 Ų566.9 Ų66.93%0.0334%0.341CS..Hα-helixtrans-65.6-43.7173.1171.30000111.1M10 V11 Q12 E17 A18 L57 L58 W115 L117 L189M10-V14 WeakPolarHBondContact O-CG2 3.33Å; M10-V14 PolarHBondContact O-N 2.87Å; V11-V14 PolarHBondContact O-N 3.4Å; Q12-V14 VanDerWaalsContact C-N 3.35Å; Q12-V14 PolarHBondContact O-N 2.73Å; V14-E17 PolarHBondContact O-N 3.16Å; V14-A18 WeakPolarHBondContact O-CB 3.44Å; V14-A18 PolarHBondContact O-N 2.93Å; V14-L57 HydrophobicContact CG2-CB 3.98Å; V14-L57 HydrophobicContact CG2-CD1 4.26Å; V14-L58 HydrophobicContact CG1-CD2 4.13Å; V14-W115 HydrophobicContact CB-CH2 4.26Å; V14-W115 HydrophobicContact CG1-CH2 3.93Å; V14-W115 HydrophobicContact CG1-CZ3 3.76Å; V14-W115 HydrophobicContact CG2-CH2 4.06Å; V14-W115 HydrophobicContact CG2-CZ3 4.45Å; V14-L117 HydrophobicContact CG1-CD1 4.05Å; V14-L117 HydrophobicContact CG1-CD2 4.42Å; V14-L189 HydrophobicContact CG1-CD1 3.86Å
15E96.3Very high93.1Very high25 Ų2565.5 Ų65.512%0.11732%0.322CS..Hα-helixtrans-57.2-48.2173.3179-173.7177.900111.4V11 Q12 E17 A18 E19 L117 R161 L187V11-E15 PolarHBondContact O-N 3.25Å; Q12-E15 WeakPolarHBondContact O-CB 3.1Å; Q12-E15 PolarHBondContact O-N 3.12Å; E15-E17 VanDerWaalsContact C-N 3.28Å; E15-E17 PolarHBondContact O-N 2.76Å; E15-A18 PolarHBondContact O-N 3.26Å; E15-A18 VanDerWaalsContact O-N 3.14Å; E15-E19 HydrophobicContact CG-CG 4.47Å; E15-E19 WeakPolarHBondContact O-CG 3.45Å; E15-E19 PolarHBondContact O-N 3.13Å; E15-L117 HydrophobicContact CB-CB 4.46Å; E15-R161 IonicContact OE2-CZ 3.35Å; E15-R161 IonicContact OE2-NH1 3.65Å; E15-R161 PolarHBondContact OE2-NH1 2.81Å; E15-R161 IonicContact OE2-NH2 3.18Å; E15-R161 PolarHBondContact OE2-NH2 3.46Å; E15-L187 HydrophobicContact CG-CD2 4.03Å
16E95.7Very high94Very high84 Ų8468.4 Ų68.439%0.39333%0.329SS..Hα-helixtrans-62.6-30.6178.4-73.5173.2-162.700113.6Q12 S13 K20Q12-E16 WeakPolarHBondContact O-CG 3.32Å; Q12-E16 PolarHBondContact O-N 3.42Å; S13-E16 PolarHBondContact O-N 3.19Å; E16-K20 WeakPolarHBondContact O-CD 3.44Å; E16-K20 WeakPolarHBondContact O-CE 3.39Å; E16-K20 VanDerWaalsContact O-CG 3.29Å; E16-K20 WeakPolarHBondContact O-CG 3.2Å; E16-K20 PolarHBondContact O-NZ 3.42Å
17E95.5Very high94.2Very high19 Ų1966.9 Ų66.99%0.08933%0.333CS..Hα-helixtrans-74-45.4170.7-78.7-169.8-163.600111.5S13 V14 E15 E19 K20 F55 P56 L57 L58S13-E17 PolarHBondContact O-N 3.4Å; V14-E17 PolarHBondContact O-N 3.16Å; E15-E17 VanDerWaalsContact C-N 3.28Å; E15-E17 PolarHBondContact O-N 2.76Å; E17-E19 VanDerWaalsContact C-N 3.35Å; E17-E19 PolarHBondContact O-N 2.93Å; E17-K20 PolarHBondContact O-N 3.37Å; E17-K20 VanDerWaalsContact O-N 3.1Å; E17-F55 HydrophobicContact CB-CD1 4.4Å; E17-F55 VanDerWaalsContact OE2-CA 3.27Å; E17-F55 WeakPolarHBondContact OE2-CA 3.49Å; E17-P56 WeakPolarHBondContact OE1-CD 3.22Å; E17-P56 WeakPolarHBondContact OE1-CG 3.4Å; E17-L57 WeakPolarHBondContact OE1-CB 3.45Å; E17-L57 VanDerWaalsContact OE1-CG 3.24Å; E17-L57 WeakPolarHBondContact OE1-CG 3.45Å; E17-L57 PolarHBondContact OE1-N 3.09Å; E17-L57 VanDerWaalsContact OE1-N 3.17Å; E17-L57 WeakPolarHBondContact OE2-CA 3.45Å; E17-L57 WeakPolarHBondContact OE2-CB 3.33Å; E17-L57 PolarHBondContact OE2-N 3.2Å; E17-L58 HydrophobicContact CB-CD1 4.29Å; E17-L58 HydrophobicContact CB-CG 4.09Å; E17-L58 PolarHBondContact OE2-N 3.44Å; E17-L58 VanDerWaalsContact OE2-N 3.1Å
18A96.1Very high94.3Very high0 Ų065.3 Ų65.30%032%0.321CS..Hα-helixtrans-62.6-38.2-179.600000112.3V14 E15 K20 L21 F23 L58 L117 L187 L189V14-A18 WeakPolarHBondContact O-CB 3.44Å; V14-A18 PolarHBondContact O-N 2.93Å; E15-A18 PolarHBondContact O-N 3.26Å; E15-A18 VanDerWaalsContact O-N 3.14Å; A18-K20 PolarHBondContact O-N 3.26Å; A18-L21 WeakPolarHBondContact O-CB 3.22Å; A18-L21 WeakPolarHBondContact O-CG 3.37Å; A18-L21 PolarHBondContact O-N 3.09Å; A18-F23 VanDerWaalsContact O-CE2 3.32Å; A18-F23 WeakPolarHBondContact O-CE2 3.1Å; A18-L58 HydrophobicContact CB-CD2 4.41Å; A18-L117 HydrophobicContact CB-CD1 4.09Å; A18-L187 HydrophobicContact CB-CD2 3.94Å; A18-L189 HydrophobicContact CB-CD2 4.47Å
19E95.4Very high94.4Very high85 Ų8558 Ų5840%0.39729%0.29SS..THydrogen-bonded Turntrans-65.3-21.8175.3-74.5-159.5128.800113.7E15 E17 K185 L187E15-E19 HydrophobicContact CG-CG 4.47Å; E15-E19 WeakPolarHBondContact O-CG 3.45Å; E15-E19 PolarHBondContact O-N 3.13Å; E17-E19 VanDerWaalsContact C-N 3.35Å; E17-E19 PolarHBondContact O-N 2.93Å; E19-K185 IonicContact OE1-NZ 2.7Å; E19-K185 PolarHBondContact OE1-NZ 2.81Å; E19-L187 HydrophobicContact CG-CD2 3.88Å
20K94.5Very high94.5Very high121 Ų12155 Ų5553%0.52628%0.278SS..THydrogen-bonded Turntrans-89-3.4179.3-68167.3-168.2149.50113.1E16 E17 A18 F55E16-K20 WeakPolarHBondContact O-CD 3.44Å; E16-K20 WeakPolarHBondContact O-CE 3.39Å; E16-K20 VanDerWaalsContact O-CG 3.29Å; E16-K20 WeakPolarHBondContact O-CG 3.2Å; E16-K20 PolarHBondContact O-NZ 3.42Å; E17-K20 PolarHBondContact O-N 3.37Å; E17-K20 VanDerWaalsContact O-N 3.1Å; A18-K20 PolarHBondContact O-N 3.26Å; K20-F55 HydrophobicContact CB-CE1 3.98Å
21L93.9Very high94.6Very high7 Ų753.9 Ų53.94%0.03727%0.271CS..SBendtrans-64145.1174.2-69.9170.9000110.4A18 F23 L42 F55 L58A18-L21 WeakPolarHBondContact O-CB 3.22Å; A18-L21 WeakPolarHBondContact O-CG 3.37Å; A18-L21 PolarHBondContact O-N 3.09Å; L21-F23 HydrophobicContact CB-CD2 4.46Å; L21-F23 HydrophobicContact CB-CE2 4.04Å; L21-F23 HydrophobicContact CB-CZ 4.47Å; L21-F23 WeakPolarHBondContact O-CD2 3.4Å; L21-F23 PolarHBondContact O-N 2.84Å; L21-L42 HydrophobicContact CD2-CD1 3.52Å; L21-F55 HydrophobicContact CD2-CD1 4.13Å; L21-F55 HydrophobicContact CD2-CE1 3.92Å; L21-F55 HydrophobicContact CD2-CE2 4.45Å; L21-F55 HydrophobicContact CD2-CG 4.48Å; L21-F55 HydrophobicContact CD2-CZ 4.08Å; L21-F55 HydrophobicContact CG-CE1 4.36Å; L21-L58 HydrophobicContact CD1-CD1 3.8Å; L21-L58 HydrophobicContact CD2-CD1 3.84Å; L21-L58 HydrophobicContact CG-CD1 3.94Å
22P92.2Very high94.6Very high84 Ų8454.1 Ų54.155%0.54527%0.274SS..  trans-69.4112.9171.129.1-31.8000109.2S36P22-S36 WeakPolarHBondContact O-CA 3.48Å
23F95.4Very high94.6Very high45 Ų4551 Ų5120%0.19726%0.259CS..EExtended strand (participates in β ladder)trans-99.5133.2177.8-78.2-84.3000111.3A18 L21 Y34 Q35 S90 L92 L187A18-F23 VanDerWaalsContact O-CE2 3.32Å; A18-F23 WeakPolarHBondContact O-CE2 3.1Å; L21-F23 HydrophobicContact CB-CD2 4.46Å; L21-F23 HydrophobicContact CB-CE2 4.04Å; L21-F23 HydrophobicContact CB-CZ 4.47Å; L21-F23 WeakPolarHBondContact O-CD2 3.4Å; L21-F23 PolarHBondContact O-N 2.84Å; F23-Y34 HydrophobicContact CB-CD1 4.36Å; F23-Q35 WeakPolarHBondContact CA-O 3.31Å; F23-S90 WeakPolarHBondContact CE1-O 3.38Å; F23-L92 HydrophobicContact CD1-CB 4.12Å; F23-L92 HydrophobicContact CE1-CB 3.8Å; F23-L92 HydrophobicContact CZ-CB 4.15Å; F23-L187 HydrophobicContact CZ-CD1 3.89Å
24L95.1Very high94.7Very high114 Ų11452.1 Ų52.160%0.59726%0.259SS*.EExtended strand (participates in β ladder)trans-105.7134.5169.7-63.7174.4000109.2R26 Y34 Q35L24-R26 PolarHBondContact O-N 3.18Å; L24-Y34 CarbonylContact O-C 3.51Å; L24-Y34 WeakPolarHBondContact O-CA 3.15Å; L24-Q35 PolarHBondContact N-O 3.45Å; L24-Q35 PolarHBondContact O-N 3.4Å
25R95.8Very high94.7Very high98 Ų9853.9 Ų53.937%0.3727%0.267SS..EExtended strand (participates in β ladder)trans-70.7121.4170.7179.459.5178.4-107.412.5107.5F33 Y34 D97R25-F33 WeakPolarHBondContact CD-O 3.39Å; R25-Y34 HydrophobicContact CB-CD1 3.95Å; R25-Y34 HydrophobicContact CB-CE1 3.7Å; R25-Y34 HydrophobicContact CG-CE1 4.4Å; R25-D97 IonicContact CZ-OD1 3.61Å; R25-D97 VanDerWaalsContact CZ-OD1 3.22Å; R25-D97 IonicContact NH1-OD1 2.6Å; R25-D97 IonicContact NH2-OD1 2.71Å; R25-D97 PolarHBondContact NH2-OD1 3.47Å
26R92.3Very high94.7Very high125 Ų12553.2 Ų53.247%0.47227%0.265SS..EExtended strand (participates in β ladder)trans-114.8154.1170.9-59.2-152.8177.3-135.12.5109.8L24 F31 A32 F33L24-R26 PolarHBondContact O-N 3.18Å; R26-F31 HydrophobicContact CB-CE2 3.71Å; R26-F31 HydrophobicContact CB-CZ 4.5Å; R26-A32 WeakPolarHBondContact O-CA 3.34Å; R26-F33 PolarHBondContact N-O 3.42Å; R26-F33 PolarHBondContact O-N 2.88Å
27G90.8Very high94.6Very high52 Ų5251.3 Ų51.354%0.53626%0.261SS..EExtended strand (participates in β ladder)trans-174.9147.3169.400000112.1F31G27-F31 CarbonylContact C-O 3.56Å; G27-F31 WeakPolarHBondContact CA-O 3.27Å
28N91.9Very high94.4Very high62 Ų6251.7 Ų51.733%0.33226%0.263SS..  trans-145.1-155.717761.4-0.2000108.1L30 F31N28-L30 PolarHBondContact OD1-N 3.28Å; N28-F31 PolarHBondContact N-O 2.59Å; N28-F31 WeakPolarHBondContact ND2-CE1 3.38Å; N28-F31 VanDerWaalsContact OD1-CD1 3.24Å; N28-F31 WeakPolarHBondContact OD1-CD1 3.33Å; N28-F31 WeakPolarHBondContact OD1-CE1 3.41Å; N28-F31 PolarHBondContact OD1-N 3.41Å
29D93.3Very high94.2Very high19 Ų1951.7 Ų51.710%0.10226%0.263CS..SBendtrans-61.7-42.7171.864.5-44.9000112.5L393 L394 F475D29-L393 VanDerWaalsContact C-CD2 3.49Å; D29-L393 HydrophobicContact CB-CD2 4.15Å; D29-L393 VanDerWaalsContact O-CD2 3.24Å; D29-L393 WeakPolarHBondContact O-CD2 3.28Å; D29-L393 WeakPolarHBondContact OD2-CA 3.24Å; D29-L394 HydrophobicContact CB-CG 4.4Å; D29-L394 PolarHBondContact OD2-N 3.29Å; D29-F475 VanDerWaalsContact CA-CE2 3.41Å; D29-F475 HydrophobicContact CB-CB 4.21Å; D29-F475 HydrophobicContact CB-CD1 3.77Å; D29-F475 HydrophobicContact CB-CD2 3.4Å; D29-F475 VanDerWaalsContact CB-CD2 3.4Å; D29-F475 HydrophobicContact CB-CE1 3.88Å; D29-F475 HydrophobicContact CB-CE2 3.55Å; D29-F475 HydrophobicContact CB-CG 3.52Å; D29-F475 HydrophobicContact CB-CZ 3.77Å
30L95.2Very high93.9Very high37 Ų3751.2 Ų51.219%0.19426%0.263CS..SBendtrans-76.5-36.9-174-176.667.9000113.8N28 L99 L100 H102 L393N28-L30 PolarHBondContact OD1-N 3.28Å; L30-L99 HydrophobicContact CD2-CD1 4.1Å; L30-L99 HydrophobicContact CG-CD1 3.93Å; L30-L100 HydrophobicContact CD1-CB 4.07Å; L30-L100 WeakPolarHBondContact O-CB 3.32Å; L30-L100 WeakPolarHBondContact O-CG 3.4Å; L30-L100 PolarHBondContact O-N 3.24Å; L30-H102 HydrophobicContact CD1-CB 4.13Å; L30-H102 HydrophobicContact CD2-CB 4.12Å; L30-L393 HydrophobicContact CB-CD2 4.42Å; L30-L393 HydrophobicContact CD1-CD1 3.83Å; L30-L393 HydrophobicContact CD1-CD2 4.38Å
31F95.5Very high93.6Very high40 Ų4050.3 Ų50.318%0.17526%0.264CS..EExtended strand (participates in β ladder)trans-148.6165-171.363.9-103.8000114.5R26 G27 N28 F33 Y98 L99R26-F31 HydrophobicContact CB-CE2 3.71Å; R26-F31 HydrophobicContact CB-CZ 4.5Å; G27-F31 CarbonylContact C-O 3.56Å; G27-F31 WeakPolarHBondContact CA-O 3.27Å; N28-F31 PolarHBondContact N-O 2.59Å; N28-F31 WeakPolarHBondContact ND2-CE1 3.38Å; N28-F31 VanDerWaalsContact OD1-CD1 3.24Å; N28-F31 WeakPolarHBondContact OD1-CD1 3.33Å; N28-F31 WeakPolarHBondContact OD1-CE1 3.41Å; N28-F31 PolarHBondContact OD1-N 3.41Å; F31-F33 HydrophobicContact CB-CD1 3.84Å; F31-F33 HydrophobicContact CB-CE1 3.63Å; F31-F33 HydrophobicContact CD1-CE1 4.2Å; F31-F33 AromaticContact CD2-CD1 3.67Å; F31-F33 HydrophobicContact CD2-CD1 3.67Å; F31-F33 AromaticContact CD2-CE1 3.31Å; F31-F33 HydrophobicContact CD2-CE1 3.31Å; F31-F33 HydrophobicContact CD2-CZ 4.04Å; F31-F33 HydrophobicContact CE2-CE1 4.01Å; F31-F33 HydrophobicContact CE2-CZ 4.3Å; F31-F33 AromaticContact CG-CD1 3.99Å; F31-F33 HydrophobicContact CG-CD1 3.99Å; F31-F33 AromaticContact CG-CE1 3.45Å; F31-F33 HydrophobicContact CG-CE1 3.45Å; F31-F33 VanDerWaalsContact CG-CE1 3.45Å; F31-F33 HydrophobicContact CG-CZ 4.36Å; F31-Y98 WeakPolarHBondContact CA-O 3.24Å; F31-L99 HydrophobicContact CB-CB 4.11Å; F31-L99 HydrophobicContact CB-CD1 3.68Å; F31-L99 HydrophobicContact CD1-CD1 4.16Å; F31-L99 HydrophobicContact CG-CD1 4.33Å
32A94.7Very high93.1Very high11 Ų1150.5 Ų50.59%0.09127%0.265CS..EExtended strand (participates in β ladder)trans-149.3113.1164.900000109.3R26 D97 Y98R26-A32 WeakPolarHBondContact O-CA 3.34Å; A32-D97 VanDerWaalsContact O-CA 3.28Å; A32-D97 WeakPolarHBondContact O-CA 3.43Å; A32-D97 WeakPolarHBondContact O-CB 3.45Å; A32-D97 VanDerWaalsContact O-CG 3.28Å; A32-Y98 HydrophobicContact CB-CD1 4.45Å; A32-Y98 HydrophobicContact CB-CE1 3.92Å; A32-Y98 PolarHBondContact N-O 3.05Å; A32-Y98 PolarHBondContact O-N 3.42Å; A32-Y98 VanDerWaalsContact O-N 3.16Å
33F96Very high92.2Very high11 Ų1148.2 Ų48.25%0.04825%0.25CS..EExtended strand (participates in β ladder)trans-164.2175.717860.4-93.4000111.3R25 R26 F31 Q35 S91 Y93 D97R25-F33 WeakPolarHBondContact CD-O 3.39Å; R26-F33 PolarHBondContact N-O 3.42Å; R26-F33 PolarHBondContact O-N 2.88Å; F31-F33 HydrophobicContact CB-CD1 3.84Å; F31-F33 HydrophobicContact CB-CE1 3.63Å; F31-F33 HydrophobicContact CD1-CE1 4.2Å; F31-F33 AromaticContact CD2-CD1 3.67Å; F31-F33 HydrophobicContact CD2-CD1 3.67Å; F31-F33 AromaticContact CD2-CE1 3.31Å; F31-F33 HydrophobicContact CD2-CE1 3.31Å; F31-F33 HydrophobicContact CD2-CZ 4.04Å; F31-F33 HydrophobicContact CE2-CE1 4.01Å; F31-F33 HydrophobicContact CE2-CZ 4.3Å; F31-F33 AromaticContact CG-CD1 3.99Å; F31-F33 HydrophobicContact CG-CD1 3.99Å; F31-F33 AromaticContact CG-CE1 3.45Å; F31-F33 HydrophobicContact CG-CE1 3.45Å; F31-F33 VanDerWaalsContact CG-CE1 3.45Å; F31-F33 HydrophobicContact CG-CZ 4.36Å; F33-Q35 HydrophobicContact CD2-CB 4.32Å; F33-Q35 HydrophobicContact CE2-CB 3.85Å; F33-Q35 HydrophobicContact CE2-CG 4.08Å; F33-S91 VanDerWaalsContact CE2-OG 3.28Å; F33-S91 WeakPolarHBondContact CE2-OG 3.43Å; F33-Y93 HydrophobicContact CB-CD1 3.76Å; F33-Y93 HydrophobicContact CB-CD2 4.26Å; F33-Y93 HydrophobicContact CB-CE1 3.77Å; F33-Y93 HydrophobicContact CB-CE2 4.26Å; F33-Y93 HydrophobicContact CB-CG 3.99Å; F33-Y93 AromaticContact CD1-CE1 3.77Å; F33-Y93 HydrophobicContact CD1-CE1 3.77Å; F33-Y93 AromaticContact CD1-CZ 3.72Å; F33-Y93 HydrophobicContact CD2-CE2 4.4Å; F33-Y93 HydrophobicContact CG-CD1 4.41Å; F33-Y93 AromaticContact CG-CE1 3.93Å; F33-Y93 HydrophobicContact CG-CE1 3.93Å; F33-Y93 HydrophobicContact CG-CE2 4.18Å; F33-Y93 AromaticContact CG-CZ 3.77Å; F33-D97 HydrophobicContact CB-CB 4.44Å
34Y97.5Very high90.5Very high50 Ų5047.9 Ų47.920%0.19625%0.253CS..EExtended strand (participates in β ladder)trans-96.9130.2174.8-68.6-98.6000111F23 L24 R25 S91 L92 K94F23-Y34 HydrophobicContact CB-CD1 4.36Å; L24-Y34 CarbonylContact O-C 3.51Å; L24-Y34 WeakPolarHBondContact O-CA 3.15Å; R25-Y34 HydrophobicContact CB-CD1 3.95Å; R25-Y34 HydrophobicContact CB-CE1 3.7Å; R25-Y34 HydrophobicContact CG-CE1 4.4Å; Y34-S91 CarbonylContact O-C 3.58Å; Y34-S91 WeakPolarHBondContact O-CA 3.45Å; Y34-L92 WeakPolarHBondContact CB-O 3.33Å; Y34-L92 PolarHBondContact N-O 2.8Å; Y34-L92 PolarHBondContact O-N 2.67Å; Y34-K94 HydrophobicContact CD2-CD 4.11Å; Y34-K94 HydrophobicContact CD2-CG 4.25Å; Y34-K94 HydrophobicContact CE2-CD 3.58Å; Y34-K94 VanDerWaalsContact CE2-CE 3.47Å; Y34-K94 HydrophobicContact CE2-CG 4.11Å; Y34-K94 PolarHBondContact OH-NZ 3.12Å
35Q96.6Very high88.6Confident43 Ų4350.5 Ų50.520%0.20127%0.268CS..EExtended strand (participates in β ladder)trans-123.1141.6180-158.6178.625.100111.7F23 L24 F33 S90F23-Q35 WeakPolarHBondContact CA-O 3.31Å; L24-Q35 PolarHBondContact N-O 3.45Å; L24-Q35 PolarHBondContact O-N 3.4Å; F33-Q35 HydrophobicContact CD2-CB 4.32Å; F33-Q35 HydrophobicContact CE2-CB 3.85Å; F33-Q35 HydrophobicContact CE2-CG 4.08Å; Q35-S90 WeakPolarHBondContact CA-O 3.24Å
36S96Very high86.4Confident10 Ų1052.9 Ų52.97%0.0728%0.283CS..EExtended strand (participates in β ladder)trans-82.8170.7170.974.70000112.1P22 S90P22-S36 WeakPolarHBondContact O-CA 3.48Å; S36-S90 PolarHBondContact N-O 3.19Å; S36-S90 WeakPolarHBondContact OG-CB 3.48Å; S36-S90 PolarHBondContact OG-N 3.45Å; S36-S90 PolarHBondContact OG-O 2.92Å
37C92.2Very high84.3Confident45 Ų4557 Ų5730%0.30431%0.305SS..PPolyproline II helixtrans-64.2163.6158.860.80000111.4
38D93Very high82Confident26 Ų2662.2 Ų62.214%0.13932%0.32CS..PPolyproline II helixtrans-67.5136.9170.3-165.6-59.8000110.5I40 N41 D87 L88 T89D38-I40 HydrophobicContact CB-CG2 3.95Å; D38-I40 PolarHBondContact O-N 3.13Å; D38-I40 WeakPolarHBondContact OD1-CB 3.14Å; D38-I40 VanDerWaalsContact OD1-CG2 3.26Å; D38-I40 WeakPolarHBondContact OD1-CG2 3.26Å; D38-I40 PolarHBondContact OD1-N 2.81Å; D38-N41 WeakPolarHBondContact O-CB 3.45Å; D38-N41 PolarHBondContact O-N 3.28Å; D38-D87 WeakPolarHBondContact OD2-CA 3.45Å; D38-L88 CarbonylContact C-O 3.54Å; D38-L88 WeakPolarHBondContact CA-O 3.34Å; D38-L88 PolarHBondContact OD2-N 3.42Å; D38-T89 HydrophobicContact CB-CG2 4.09Å
39V91.9Very high79.9Confident0 Ų062.1 Ų62.10%033%0.325CS..G310 helixtrans-60.2-24.1179173.90000111.8N41 L42 C43 L58 R62 L88V39-N41 PolarHBondContact O-N 3.26Å; V39-L42 HydrophobicContact CG1-CD1 4.45Å; V39-L42 HydrophobicContact CG2-CD1 4.38Å; V39-L42 WeakPolarHBondContact O-CA 3.29Å; V39-L42 VanDerWaalsContact O-CB 3.32Å; V39-L42 WeakPolarHBondContact O-CB 3.47Å; V39-L42 PolarHBondContact O-N 2.95Å; V39-C43 PolarHBondContact O-N 3.15Å; V39-L58 HydrophobicContact CG1-CB 4.13Å; V39-L58 HydrophobicContact CG2-CB 4.39Å; V39-R62 HydrophobicContact CG1-CB 4.36Å; V39-L88 HydrophobicContact CB-CB 4.23Å; V39-L88 HydrophobicContact CB-CD2 3.92Å; V39-L88 HydrophobicContact CB-CG 4.09Å; V39-L88 HydrophobicContact CG1-CD2 4.09Å; V39-L88 HydrophobicContact CG2-CB 4.41Å; V39-L88 HydrophobicContact CG2-CD2 3.85Å; V39-L88 HydrophobicContact CG2-CG 3.82Å; V39-L88 WeakPolarHBondContact CG2-O 3.13Å; V39-L88 PolarHBondContact N-O 2.96Å
40I89.1Confident78.2Confident76 Ų7665.6 Ų65.639%0.3935%0.35SS..G310 helixtrans-56.5-35.6171.6-161.6176.6000111.8D38 L42 C43D38-I40 HydrophobicContact CB-CG2 3.95Å; D38-I40 PolarHBondContact O-N 3.13Å; D38-I40 WeakPolarHBondContact OD1-CB 3.14Å; D38-I40 VanDerWaalsContact OD1-CG2 3.26Å; D38-I40 WeakPolarHBondContact OD1-CG2 3.26Å; D38-I40 PolarHBondContact OD1-N 2.81Å; I40-L42 PolarHBondContact O-N 3.24Å; I40-C43 VanDerWaalsContact O-CB 3.3Å; I40-C43 WeakPolarHBondContact O-CB 3.33Å; I40-C43 PolarHBondContact O-N 2.93Å
41N87.3Confident76.2Confident102 Ų10267.3 Ų67.355%0.54536%0.36SS..G310 helixtrans-71.5-13.4178.7-61.4-22.6000112.3D38 V39D38-N41 WeakPolarHBondContact O-CB 3.45Å; D38-N41 PolarHBondContact O-N 3.28Å; V39-N41 PolarHBondContact O-N 3.26Å
42L83.4Confident74.4Confident10 Ų1067.9 Ų67.95%0.05237%0.367CS..G310 helixtrans-88.1-20.8172.6-50.6175.5000111.8L21 V39 I40 S44 F55L21-L42 HydrophobicContact CD2-CD1 3.52Å; V39-L42 HydrophobicContact CG1-CD1 4.45Å; V39-L42 HydrophobicContact CG2-CD1 4.38Å; V39-L42 WeakPolarHBondContact O-CA 3.29Å; V39-L42 VanDerWaalsContact O-CB 3.32Å; V39-L42 WeakPolarHBondContact O-CB 3.47Å; V39-L42 PolarHBondContact O-N 2.95Å; I40-L42 PolarHBondContact O-N 3.24Å; L42-S44 PolarHBondContact O-N 3.19Å; L42-S44 VanDerWaalsContact O-N 3.11Å; L42-F55 HydrophobicContact CD1-CB 4.33Å; L42-F55 HydrophobicContact CD1-CD2 3.92Å; L42-F55 HydrophobicContact CD1-CE2 4.45Å; L42-F55 HydrophobicContact CD1-CG 4.18Å; L42-F55 HydrophobicContact CD2-CD2 4.23Å; L42-F55 HydrophobicContact CD2-CE2 4.27Å
43C73.3Confident73.1Confident36 Ų3672.3 Ų72.324%0.24340%0.397CS..SBendtrans-75.593.8175.1-59.60000109.1V39 I40 N45V39-C43 PolarHBondContact O-N 3.15Å; I40-C43 VanDerWaalsContact O-CB 3.3Å; I40-C43 WeakPolarHBondContact O-CB 3.33Å; I40-C43 PolarHBondContact O-N 2.93Å; C43-N45 PolarHBondContact O-N 3.13Å
44S60.6Low72.5Confident38 Ų3877.5 Ų77.527%0.26642%0.419SS..  trans-69.3121179.7-41.50000110.6L42 E46 S49 T52L42-S44 PolarHBondContact O-N 3.19Å; L42-S44 VanDerWaalsContact O-N 3.11Å; S44-E46 PolarHBondContact O-N 2.65Å; S44-S49 VanDerWaalsContact OG-CB 3.26Å; S44-S49 WeakPolarHBondContact OG-CB 3.48Å; S44-T52 WeakPolarHBondContact CB-OG1 3.33Å; S44-T52 PolarHBondContact N-OG1 3.35Å; S44-T52 PolarHBondContact OG-OG1 2.71Å
45N54.3Low72.2Confident169 Ų16975.3 Ų75.390%0.90441%0.411SS*.SBendtrans-74.7-8.8164.6-80.2-21.3000112.3C43C43-N45 PolarHBondContact O-N 3.13Å
46E49.5Very low72Confident148 Ų14876.1 Ų76.169%0.69242%0.42SS*.SBendtrans-100.6125178.1-63.1-166.1157.200111.5S44 N48 S49S44-E46 PolarHBondContact O-N 2.65Å; E46-N48 PolarHBondContact O-N 3.37Å; E46-S49 PolarHBondContact O-N 3.11Å
47K47.3Very low71.9Confident213 Ų21377.1 Ų77.193%0.92642%0.424SS*.THydrogen-bonded Turntrans-61.710-174.5-68.8177.8176.7173.50115.6
48N43.1Very low72Confident161 Ų16175 Ų7586%0.86141%0.41SS*.THydrogen-bonded Turntrans-134.510.7-174.2-79.2-22.4000115.9E46E46-N48 PolarHBondContact O-N 3.37Å
49S48.8Very low72Confident60 Ų6074.9 Ų74.942%0.4241%0.41SS..  trans-95.5123.8-176.7-89.10000114.3S44 E46 N51S44-S49 VanDerWaalsContact OG-CB 3.26Å; S44-S49 WeakPolarHBondContact OG-CB 3.48Å; E46-S49 PolarHBondContact O-N 3.11Å; S49-N51 PolarHBondContact O-N 3.31Å; S49-N51 VanDerWaalsContact O-N 3.1Å
50S56.1Low72.1Confident91 Ų9178.1 Ų78.164%0.63643%0.432SS*.THydrogen-bonded Turntrans-59.3-17.2-177.554.90000115.2S53 K54S50-S53 VanDerWaalsContact O-CB 3.31Å; S50-S53 WeakPolarHBondContact O-CB 3.31Å; S50-S53 PolarHBondContact O-N 2.98Å; S50-K54 PolarHBondContact O-N 3.31Å
51N54.7Low72.3Confident73 Ų7375.5 Ų75.539%0.3942%0.419SS..Hα-helixtrans-73.7-33.7-173.7-74-21.2000114S49 S53 K54 F55S49-N51 PolarHBondContact O-N 3.31Å; S49-N51 VanDerWaalsContact O-N 3.1Å; N51-S53 PolarHBondContact O-N 3.38Å; N51-K54 WeakPolarHBondContact O-CB 3.47Å; N51-K54 PolarHBondContact O-N 3.11Å; N51-F55 PolarHBondContact O-N 3.05Å
52T57.3Low72.7Confident53 Ų5372 Ų7233%0.32540%0.398SS..Hα-helixtrans-63.3-27.6175.3-44.40000111.1S44 K54S44-T52 WeakPolarHBondContact CB-OG1 3.33Å; S44-T52 PolarHBondContact N-OG1 3.35Å; S44-T52 PolarHBondContact OG-OG1 2.71Å; T52-K54 VanDerWaalsContact C-N 3.33Å
53S66.5Low73.2Confident103 Ų10374.7 Ų74.772%0.7241%0.414SS*.Hα-helixtrans-73.1-24.6173-1670000112.9S50 N51S50-S53 VanDerWaalsContact O-CB 3.31Å; S50-S53 WeakPolarHBondContact O-CB 3.31Å; S50-S53 PolarHBondContact O-N 2.98Å; N51-S53 PolarHBondContact O-N 3.38Å
54K83.7Confident74.3Confident120 Ų12077.9 Ų77.952%0.52242%0.424SS..Hα-helixtrans-84.5-30.1-173.6-168.7176.6175.4-172.10113.4S50 N51 T52S50-K54 PolarHBondContact O-N 3.31Å; N51-K54 WeakPolarHBondContact O-CB 3.47Å; N51-K54 PolarHBondContact O-N 3.11Å; T52-K54 VanDerWaalsContact C-N 3.33Å
55F91.4Very high76.1Confident5 Ų576.1 Ų76.12%0.02241%0.412CS..  trans-129.451.2-175.7-53.4-75.1000113.7E17 K20 L21 L42 N51 L57 L58 V59E17-F55 HydrophobicContact CB-CD1 4.4Å; E17-F55 VanDerWaalsContact OE2-CA 3.27Å; E17-F55 WeakPolarHBondContact OE2-CA 3.49Å; K20-F55 HydrophobicContact CB-CE1 3.98Å; L21-F55 HydrophobicContact CD2-CD1 4.13Å; L21-F55 HydrophobicContact CD2-CE1 3.92Å; L21-F55 HydrophobicContact CD2-CE2 4.45Å; L21-F55 HydrophobicContact CD2-CG 4.48Å; L21-F55 HydrophobicContact CD2-CZ 4.08Å; L21-F55 HydrophobicContact CG-CE1 4.36Å; L42-F55 HydrophobicContact CD1-CB 4.33Å; L42-F55 HydrophobicContact CD1-CD2 3.92Å; L42-F55 HydrophobicContact CD1-CE2 4.45Å; L42-F55 HydrophobicContact CD1-CG 4.18Å; L42-F55 HydrophobicContact CD2-CD2 4.23Å; L42-F55 HydrophobicContact CD2-CE2 4.27Å; N51-F55 PolarHBondContact O-N 3.05Å; F55-L57 VanDerWaalsContact C-N 3.32Å; F55-L57 PolarHBondContact O-N 3.36Å; F55-L58 HydrophobicContact CB-CB 4.32Å; F55-L58 HydrophobicContact CB-CD1 4.19Å; F55-L58 HydrophobicContact CD1-CD1 4.09Å; F55-L58 HydrophobicContact CG-CD1 4.42Å; F55-L58 PolarHBondContact O-N 3.29Å; F55-V59 WeakPolarHBondContact O-CG2 3.4Å; F55-V59 PolarHBondContact O-N 3.01Å; F55-V59 VanDerWaalsContact O-N 3.16Å
56P92.3Very high78.1Confident60 Ų6069 Ų6939%0.3937%0.374SS..Hα-helixtrans-63.2-33.2-173.526.4-35.8000113.7E17 S60E17-P56 WeakPolarHBondContact OE1-CD 3.22Å; E17-P56 WeakPolarHBondContact OE1-CG 3.4Å; P56-S60 VanDerWaalsContact O-CB 3.22Å; P56-S60 WeakPolarHBondContact O-CB 3.23Å; P56-S60 PolarHBondContact O-N 2.91Å
57L93.8Very high80.3Confident30 Ų3067 Ų6716%0.15737%0.368CS..Hα-helixtrans-74.3-37.9-179.8-61.2172000111.6V14 E17 F55 S60 F61V14-L57 HydrophobicContact CG2-CB 3.98Å; V14-L57 HydrophobicContact CG2-CD1 4.26Å; E17-L57 WeakPolarHBondContact OE1-CB 3.45Å; E17-L57 VanDerWaalsContact OE1-CG 3.24Å; E17-L57 WeakPolarHBondContact OE1-CG 3.45Å; E17-L57 PolarHBondContact OE1-N 3.09Å; E17-L57 VanDerWaalsContact OE1-N 3.17Å; E17-L57 WeakPolarHBondContact OE2-CA 3.45Å; E17-L57 WeakPolarHBondContact OE2-CB 3.33Å; E17-L57 PolarHBondContact OE2-N 3.2Å; F55-L57 VanDerWaalsContact C-N 3.32Å; F55-L57 PolarHBondContact O-N 3.36Å; L57-S60 PolarHBondContact O-N 2.75Å; L57-F61 WeakPolarHBondContact O-CB 3.45Å; L57-F61 PolarHBondContact O-N 3.2Å
58L94.9Very high82.7Confident0 Ų060 Ų600%035%0.345CS..Hα-helixtrans-64.8-43.6175.2-62.3-179.1000111.9V14 E17 A18 L21 V39 F55 F61 R62 L189V14-L58 HydrophobicContact CG1-CD2 4.13Å; E17-L58 HydrophobicContact CB-CD1 4.29Å; E17-L58 HydrophobicContact CB-CG 4.09Å; E17-L58 PolarHBondContact OE2-N 3.44Å; E17-L58 VanDerWaalsContact OE2-N 3.1Å; A18-L58 HydrophobicContact CB-CD2 4.41Å; L21-L58 HydrophobicContact CD1-CD1 3.8Å; L21-L58 HydrophobicContact CD2-CD1 3.84Å; L21-L58 HydrophobicContact CG-CD1 3.94Å; V39-L58 HydrophobicContact CG1-CB 4.13Å; V39-L58 HydrophobicContact CG2-CB 4.39Å; F55-L58 HydrophobicContact CB-CB 4.32Å; F55-L58 HydrophobicContact CB-CD1 4.19Å; F55-L58 HydrophobicContact CD1-CD1 4.09Å; F55-L58 HydrophobicContact CG-CD1 4.42Å; F55-L58 PolarHBondContact O-N 3.29Å; L58-F61 PolarHBondContact O-N 3.5Å; L58-R62 PolarHBondContact O-N 3.41Å; L58-L189 HydrophobicContact CD2-CD1 3.83Å; L58-L189 HydrophobicContact CD2-CD2 4.13Å
59V93.1Very high85.3Confident24 Ų2453 Ų5315%0.14531%0.308CS..Hα-helixtrans-62.1-46174.21740000110.4F55 F61 R62 T63F55-V59 WeakPolarHBondContact O-CG2 3.4Å; F55-V59 PolarHBondContact O-N 3.01Å; F55-V59 VanDerWaalsContact O-N 3.16Å; V59-F61 VanDerWaalsContact C-N 3.28Å; V59-F61 PolarHBondContact O-N 3.48Å; V59-R62 WeakPolarHBondContact O-CB 3.37Å; V59-R62 PolarHBondContact O-N 3.25Å; V59-T63 PolarHBondContact O-N 3.26Å; V59-T63 PolarHBondContact O-OG1 3.28Å
60S92.9Very high87.6Confident68 Ų6850.1 Ų50.148%0.47629%0.288SS..Hα-helixtrans-61.1-36.7176.2-174.20000112.4P56 L57 T63 F64P56-S60 VanDerWaalsContact O-CB 3.22Å; P56-S60 WeakPolarHBondContact O-CB 3.23Å; P56-S60 PolarHBondContact O-N 2.91Å; L57-S60 PolarHBondContact O-N 2.75Å; S60-T63 PolarHBondContact O-N 3.34Å; S60-F64 PolarHBondContact O-N 3.01Å
61F95.2Very high89.6Confident22 Ų2248.6 Ų48.610%0.09628%0.276CS..Hα-helixtrans-67.6-42.8176.7-179.4-116.4000111.3L57 L58 V59 T63 F64 L65 L88 W115 F164 L189L57-F61 WeakPolarHBondContact O-CB 3.45Å; L57-F61 PolarHBondContact O-N 3.2Å; L58-F61 PolarHBondContact O-N 3.5Å; V59-F61 VanDerWaalsContact C-N 3.28Å; V59-F61 PolarHBondContact O-N 3.48Å; F61-T63 VanDerWaalsContact C-N 3.29Å; F61-T63 PolarHBondContact O-N 3.48Å; F61-F64 HydrophobicContact CD2-CD1 4.16Å; F61-F64 HydrophobicContact CE2-CD1 4.15Å; F61-F64 WeakPolarHBondContact O-CA 3.45Å; F61-F64 WeakPolarHBondContact O-CB 3.48Å; F61-F64 PolarHBondContact O-N 3.33Å; F61-F64 VanDerWaalsContact O-N 3.08Å; F61-L65 HydrophobicContact CD1-CD1 4.15Å; F61-L65 HydrophobicContact CD1-CG 4.44Å; F61-L65 HydrophobicContact CE1-CD1 3.76Å; F61-L65 HydrophobicContact CE1-CD2 4.23Å; F61-L65 HydrophobicContact CE1-CG 4.08Å; F61-L65 HydrophobicContact CE2-CD2 4.22Å; F61-L65 HydrophobicContact CE2-CG 4.38Å; F61-L65 HydrophobicContact CZ-CD1 4.19Å; F61-L65 HydrophobicContact CZ-CD2 3.79Å; F61-L65 HydrophobicContact CZ-CG 4.04Å; F61-L65 WeakPolarHBondContact O-CG 3.48Å; F61-L65 PolarHBondContact O-N 3.09Å; F61-L88 HydrophobicContact CD1-CD1 4.21Å; F61-L88 HydrophobicContact CD1-CD2 3.83Å; F61-L88 HydrophobicContact CE1-CD1 3.99Å; F61-L88 HydrophobicContact CE1-CD2 4.4Å; F61-W115 HydrophobicContact CD1-CE3 4.08Å; F61-W115 HydrophobicContact CD1-CZ3 4.02Å; F61-W115 HydrophobicContact CD2-CE3 4.09Å; F61-W115 HydrophobicContact CD2-CH2 4.39Å; F61-W115 AromaticContact CD2-CZ3 3.6Å; F61-W115 HydrophobicContact CD2-CZ3 3.6Å; F61-W115 AromaticContact CE1-CE3 3.6Å; F61-W115 HydrophobicContact CE1-CE3 3.6Å; F61-W115 AromaticContact CE1-CZ3 3.99Å; F61-W115 HydrophobicContact CE1-CZ3 3.99Å; F61-W115 HydrophobicContact CE2-CD2 4.46Å; F61-W115 AromaticContact CE2-CE3 3.61Å; F61-W115 HydrophobicContact CE2-CE3 3.61Å; F61-W115 HydrophobicContact CE2-CH2 4.39Å; F61-W115 AromaticContact CE2-CZ3 3.56Å; F61-W115 HydrophobicContact CE2-CZ3 3.56Å; F61-W115 HydrophobicContact CG-CE3 4.31Å; F61-W115 AromaticContact CG-CZ3 3.84Å; F61-W115 HydrophobicContact CG-CZ3 3.84Å; F61-W115 HydrophobicContact CZ-CD2 4.18Å; F61-W115 AromaticContact CZ-CE3 3.34Å; F61-W115 HydrophobicContact CZ-CE3 3.34Å; F61-W115 AromaticContact CZ-CZ3 3.76Å; F61-W115 HydrophobicContact CZ-CZ3 3.76Å; F61-F164 HydrophobicContact CZ-CE2 4.37Å; F61-L189 HydrophobicContact CD1-CD1 4.22Å; F61-L189 HydrophobicContact CE1-CD1 4.34Å
62R95.1Very high91.6Very high29 Ų2950.8 Ų50.811%0.10928%0.279CS..Hα-helixtrans-57.5-43.5172.2-169.3178.1179.1-80-9.5111.7V39 L58 V59 F64 L65 L66 V86 L88V39-R62 HydrophobicContact CG1-CB 4.36Å; L58-R62 PolarHBondContact O-N 3.41Å; V59-R62 WeakPolarHBondContact O-CB 3.37Å; V59-R62 PolarHBondContact O-N 3.25Å; R62-F64 VanDerWaalsContact C-N 3.33Å; R62-F64 PolarHBondContact O-N 3.05Å; R62-L65 WeakPolarHBondContact O-CB 3.23Å; R62-L65 PolarHBondContact O-N 3.46Å; R62-L66 PolarHBondContact O-N 3.24Å; R62-L66 VanDerWaalsContact O-N 3.11Å; R62-V86 HydrophobicContact CG-CG1 4.12Å; R62-V86 PolarHBondContact NH2-O 2.82Å; R62-L88 HydrophobicContact CB-CD2 3.88Å; R62-L88 HydrophobicContact CG-CD2 4.41Å
63T94.5Very high93.5Very high65 Ų6548.3 Ų48.340%0.39926%0.263SS..Hα-helixtrans-61.7-40174.5-57.50000112.1V59 S60 F61 L66 N67V59-T63 PolarHBondContact O-N 3.26Å; V59-T63 PolarHBondContact O-OG1 3.28Å; S60-T63 PolarHBondContact O-N 3.34Å; F61-T63 VanDerWaalsContact C-N 3.29Å; F61-T63 PolarHBondContact O-N 3.48Å; T63-L66 PolarHBondContact O-N 3.12Å; T63-N67 VanDerWaalsContact CG2-ND2 3.28Å; T63-N67 WeakPolarHBondContact CG2-ND2 3.44Å; T63-N67 WeakPolarHBondContact O-CB 3.36Å; T63-N67 PolarHBondContact O-N 3.19Å
64F95.7Very high95Very high104 Ų10445.8 Ų45.846%0.45624%0.239SC..Hα-helixtrans-64-40.8174.6173-103.8000112.4S60 F61 R62 L66 C68 V69S60-F64 PolarHBondContact O-N 3.01Å; F61-F64 HydrophobicContact CD2-CD1 4.16Å; F61-F64 HydrophobicContact CE2-CD1 4.15Å; F61-F64 WeakPolarHBondContact O-CA 3.45Å; F61-F64 WeakPolarHBondContact O-CB 3.48Å; F61-F64 PolarHBondContact O-N 3.33Å; F61-F64 VanDerWaalsContact O-N 3.08Å; R62-F64 VanDerWaalsContact C-N 3.33Å; R62-F64 PolarHBondContact O-N 3.05Å; F64-L66 VanDerWaalsContact C-N 3.31Å; F64-L66 PolarHBondContact O-N 3.09Å; F64-C68 HydrophobicContact CD2-CB 3.69Å; F64-C68 HydrophobicContact CE2-CB 3.55Å; F64-C68 HydrophobicContact CZ-CB 4.26Å; F64-C68 WeakPolarHBondContact O-CB 3.49Å; F64-C68 PolarHBondContact O-N 3.07Å; F64-V69 HydrophobicContact CD1-CG2 3.82Å; F64-V69 HydrophobicContact CE1-CG2 3.39Å; F64-V69 HydrophobicContact CZ-CG2 3.92Å; F64-V69 PolarHBondContact O-N 3.17Å
65L97.4Very high95.6Very high0 Ų046.6 Ų46.60%025%0.25CC..Iπ-helixtrans-57.8-45.2174.2-68.5173.6000111.1F61 R62 V69 L70 V86 L88 F113 F164 F193F61-L65 HydrophobicContact CD1-CD1 4.15Å; F61-L65 HydrophobicContact CD1-CG 4.44Å; F61-L65 HydrophobicContact CE1-CD1 3.76Å; F61-L65 HydrophobicContact CE1-CD2 4.23Å; F61-L65 HydrophobicContact CE1-CG 4.08Å; F61-L65 HydrophobicContact CE2-CD2 4.22Å; F61-L65 HydrophobicContact CE2-CG 4.38Å; F61-L65 HydrophobicContact CZ-CD1 4.19Å; F61-L65 HydrophobicContact CZ-CD2 3.79Å; F61-L65 HydrophobicContact CZ-CG 4.04Å; F61-L65 WeakPolarHBondContact O-CG 3.48Å; F61-L65 PolarHBondContact O-N 3.09Å; R62-L65 WeakPolarHBondContact O-CB 3.23Å; R62-L65 PolarHBondContact O-N 3.46Å; L65-V69 HydrophobicContact CD2-CB 4.21Å; L65-V69 HydrophobicContact CD2-CG1 4.38Å; L65-V69 HydrophobicContact CD2-CG2 4.05Å; L65-V69 PolarHBondContact O-N 3.34Å; L65-L70 WeakPolarHBondContact O-CB 3.36Å; L65-L70 PolarHBondContact O-N 3.37Å; L65-V86 HydrophobicContact CB-CG2 4.48Å; L65-V86 HydrophobicContact CD1-CG2 4.29Å; L65-L88 HydrophobicContact CD1-CD1 4.16Å; L65-L88 HydrophobicContact CD1-CD2 4.27Å; L65-F113 HydrophobicContact CD1-CE1 4.33Å; L65-F113 HydrophobicContact CD1-CE2 3.98Å; L65-F113 HydrophobicContact CD1-CZ 3.61Å; L65-F113 HydrophobicContact CD2-CE2 4.44Å; L65-F164 HydrophobicContact CD2-CE2 4.37Å; L65-F164 HydrophobicContact CD2-CZ 4.45Å; L65-F193 HydrophobicContact CB-CE1 4.21Å; L65-F193 HydrophobicContact CB-CZ 4.11Å; L65-F193 HydrophobicContact CD2-CZ 3.94Å
66L96.5Very high95.9Very high21 Ų2150.2 Ų50.211%0.1127%0.268CS..Iπ-helixtrans-70.9-45.3-180-71.6176.6000113.7R62 T63 F64 L70 P71 V86R62-L66 PolarHBondContact O-N 3.24Å; R62-L66 VanDerWaalsContact O-N 3.11Å; T63-L66 PolarHBondContact O-N 3.12Å; F64-L66 VanDerWaalsContact C-N 3.31Å; F64-L66 PolarHBondContact O-N 3.09Å; L66-L70 HydrophobicContact CD2-CD1 4.07Å; L66-P71 WeakPolarHBondContact O-CD 3.4Å; L66-V86 HydrophobicContact CD1-CG1 4.33Å; L66-V86 HydrophobicContact CD2-CB 3.96Å; L66-V86 HydrophobicContact CD2-CG1 3.46Å; L66-V86 VanDerWaalsContact CD2-CG1 3.46Å; L66-V86 HydrophobicContact CG-CG1 3.68Å
67N96.8Very high96Very high105 Ų10550.1 Ų50.156%0.56127%0.266SS*.Iπ-helixtrans-88.4-21.9-169.4-67.8-13.7000113.6T63T63-N67 VanDerWaalsContact CG2-ND2 3.28Å; T63-N67 WeakPolarHBondContact CG2-ND2 3.44Å; T63-N67 WeakPolarHBondContact O-CB 3.36Å; T63-N67 PolarHBondContact O-N 3.19Å
68C97Very high96.1Very high66 Ų6651.7 Ų51.745%0.44629%0.29SS..Iπ-helixtrans-123.8-52.1-173.9-57.60000112F64 W72F64-C68 HydrophobicContact CD2-CB 3.69Å; F64-C68 HydrophobicContact CE2-CB 3.55Å; F64-C68 HydrophobicContact CZ-CB 4.26Å; F64-C68 WeakPolarHBondContact O-CB 3.49Å; F64-C68 PolarHBondContact O-N 3.07Å; C68-W72 VanDerWaalsContact O-CB 3.28Å; C68-W72 WeakPolarHBondContact O-CB 3.37Å; C68-W72 PolarHBondContact O-N 3.33Å
69V97.4Very high96.1Very high13 Ų1352.2 Ų52.28%0.07929%0.293CS..Iπ-helixtrans-73.4-41.4-174.1-174.90000111.7F64 L65 W72 L73 F164 F193F64-V69 HydrophobicContact CD1-CG2 3.82Å; F64-V69 HydrophobicContact CE1-CG2 3.39Å; F64-V69 HydrophobicContact CZ-CG2 3.92Å; F64-V69 PolarHBondContact O-N 3.17Å; L65-V69 HydrophobicContact CD2-CB 4.21Å; L65-V69 HydrophobicContact CD2-CG1 4.38Å; L65-V69 HydrophobicContact CD2-CG2 4.05Å; L65-V69 PolarHBondContact O-N 3.34Å; V69-W72 HydrophobicContact CG1-CE3 4.07Å; V69-W72 HydrophobicContact CG1-CZ3 4.38Å; V69-W72 PolarHBondContact O-N 2.87Å; V69-L73 HydrophobicContact CG1-CD1 3.93Å; V69-L73 HydrophobicContact CG1-CG 4.12Å; V69-L73 WeakPolarHBondContact O-CB 3.25Å; V69-L73 WeakPolarHBondContact O-CG 3.19Å; V69-L73 PolarHBondContact O-N 2.83Å; V69-F164 HydrophobicContact CG1-CZ 4.47Å; V69-F193 HydrophobicContact CB-CZ 4.15Å; V69-F193 HydrophobicContact CG1-CE2 4.25Å; V69-F193 HydrophobicContact CG1-CZ 3.8Å
70L97.9Very high96.2Very high1 Ų154.8 Ų54.81%0.00531%0.31CS..Hα-helixtrans-62.1-50.3179.5177165.6000112.3L65 L66 W72 L73 K74 F193L65-L70 WeakPolarHBondContact O-CB 3.36Å; L65-L70 PolarHBondContact O-N 3.37Å; L66-L70 HydrophobicContact CD2-CD1 4.07Å; L70-W72 VanDerWaalsContact C-N 3.29Å; L70-W72 PolarHBondContact O-N 2.86Å; L70-L73 PolarHBondContact O-N 2.9Å; L70-K74 HydrophobicContact CD2-CD 3.96Å; L70-K74 HydrophobicContact CD2-CG 4.42Å; L70-K74 WeakPolarHBondContact O-CG 3.37Å; L70-K74 PolarHBondContact O-N 3.02Å; L70-F193 HydrophobicContact CB-CD1 3.99Å; L70-F193 HydrophobicContact CB-CE1 3.8Å; L70-F193 HydrophobicContact CD1-CD1 4.2Å; L70-F193 HydrophobicContact CG-CD1 4.26Å
71P97.2Very high96.4Very high59 Ų5951.9 Ų51.938%0.38329%0.289SS..Hα-helixtrans-60.1-39.2174.4-25.734.8000112.7L66 K74 D75L66-P71 WeakPolarHBondContact O-CD 3.4Å; P71-K74 PolarHBondContact O-N 2.93Å; P71-D75 PolarHBondContact O-N 2.86Å; P71-D75 VanDerWaalsContact O-N 3.07Å
72W97.8Very high96.5Very high119 Ų11955.7 Ų55.745%0.45130%0.304SS..Hα-helixtrans-63.9-43.7176.2171.371.9000112.2C68 V69 L70 K74 D75 I76 F166C68-W72 VanDerWaalsContact O-CB 3.28Å; C68-W72 WeakPolarHBondContact O-CB 3.37Å; C68-W72 PolarHBondContact O-N 3.33Å; V69-W72 HydrophobicContact CG1-CE3 4.07Å; V69-W72 HydrophobicContact CG1-CZ3 4.38Å; V69-W72 PolarHBondContact O-N 2.87Å; L70-W72 VanDerWaalsContact C-N 3.29Å; L70-W72 PolarHBondContact O-N 2.86Å; W72-K74 PolarHBondContact O-N 2.82Å; W72-D75 PolarHBondContact O-N 3.14Å; W72-I76 HydrophobicContact CD2-CD1 4.11Å; W72-I76 HydrophobicContact CE3-CD1 4.24Å; W72-I76 HydrophobicContact CH2-CD1 3.68Å; W72-I76 HydrophobicContact CZ2-CD1 3.5Å; W72-I76 HydrophobicContact CZ3-CD1 4.04Å; W72-I76 WeakPolarHBondContact O-CG2 3.19Å; W72-I76 PolarHBondContact O-N 2.87Å; W72-F166 AromaticContact CH2-CE1 3.61Å; W72-F166 HydrophobicContact CH2-CE1 3.61Å; W72-F166 AromaticContact CH2-CZ 3.73Å; W72-F166 HydrophobicContact CH2-CZ 3.73Å; W72-F166 AromaticContact CZ3-CE1 3.95Å; W72-F166 HydrophobicContact CZ3-CE1 3.95Å; W72-F166 HydrophobicContact CZ3-CZ 4.1Å
73L97.5Very high96.4Very high0 Ų060.2 Ų60.20%033%0.326CS..Hα-helixtrans-62.2-42.8175.8-78174.1000111.6V69 L70 D75 I76 T77 L81 V111 F166 F193V69-L73 HydrophobicContact CG1-CD1 3.93Å; V69-L73 HydrophobicContact CG1-CG 4.12Å; V69-L73 WeakPolarHBondContact O-CB 3.25Å; V69-L73 WeakPolarHBondContact O-CG 3.19Å; V69-L73 PolarHBondContact O-N 2.83Å; L70-L73 PolarHBondContact O-N 2.9Å; L73-D75 VanDerWaalsContact C-N 3.31Å; L73-D75 PolarHBondContact O-N 3Å; L73-I76 HydrophobicContact CD2-CD1 4.26Å; L73-I76 PolarHBondContact O-N 3.15Å; L73-T77 WeakPolarHBondContact O-CB 3.29Å; L73-T77 WeakPolarHBondContact O-CG2 3.45Å; L73-T77 PolarHBondContact O-N 3.42Å; L73-T77 PolarHBondContact O-OG1 3.2Å; L73-L81 HydrophobicContact CB-CD1 3.93Å; L73-V111 HydrophobicContact CD1-CG1 4.09Å; L73-V111 HydrophobicContact CD2-CG1 4.37Å; L73-F166 HydrophobicContact CD2-CD2 3.68Å; L73-F166 HydrophobicContact CD2-CE2 3.58Å; L73-F166 HydrophobicContact CD2-CG 4.24Å; L73-F166 HydrophobicContact CD2-CZ 4.07Å; L73-F193 HydrophobicContact CD1-CD1 4.48Å; L73-F193 HydrophobicContact CD1-CD2 3.38Å; L73-F193 HydrophobicContact CD1-CE1 4.4Å; L73-F193 HydrophobicContact CD1-CE2 3.28Å; L73-F193 HydrophobicContact CD1-CG 4Å; L73-F193 HydrophobicContact CD1-CZ 3.83Å
74K96.6Very high96.2Very high50 Ų5062.8 Ų62.822%0.21734%0.337CS..Hα-helixtrans-57-45.7174.3-73.7-177.7174.6-171.20111.8L70 P71 W72 G78 L81 E83L70-K74 HydrophobicContact CD2-CD 3.96Å; L70-K74 HydrophobicContact CD2-CG 4.42Å; L70-K74 WeakPolarHBondContact O-CG 3.37Å; L70-K74 PolarHBondContact O-N 3.02Å; P71-K74 PolarHBondContact O-N 2.93Å; W72-K74 PolarHBondContact O-N 2.82Å; K74-G78 WeakPolarHBondContact O-CA 3.38Å; K74-G78 PolarHBondContact O-N 2.95Å; K74-L81 WeakPolarHBondContact CE-O 3.34Å; K74-L81 HydrophobicContact CG-CB 4.1Å; K74-L81 HydrophobicContact CG-CD1 4.24Å; K74-L81 HydrophobicContact CG-CG 4.32Å; K74-L81 PolarHBondContact NZ-O 2.97Å; K74-E83 IonicContact NZ-OE1 3.56Å; K74-E83 PolarHBondContact NZ-OE1 3.47Å; K74-E83 IonicContact NZ-OE2 2.7Å
75D97.1Very high96.1Very high138 Ų13862.3 Ų62.374%0.73834%0.335SS*.Hα-helixtrans-64.9-46.1-178.1-172.257.2000112.3P71 W72 L73P71-D75 PolarHBondContact O-N 2.86Å; P71-D75 VanDerWaalsContact O-N 3.07Å; W72-D75 PolarHBondContact O-N 3.14Å; L73-D75 VanDerWaalsContact C-N 3.31Å; L73-D75 PolarHBondContact O-N 3Å
76I97Very high96Very high81 Ų8162.4 Ų62.442%0.41534%0.336SS..Hα-helixtrans-81.3-25.7-175.572.2179.9000114.1W72 L73 F166W72-I76 HydrophobicContact CD2-CD1 4.11Å; W72-I76 HydrophobicContact CE3-CD1 4.24Å; W72-I76 HydrophobicContact CH2-CD1 3.68Å; W72-I76 HydrophobicContact CZ2-CD1 3.5Å; W72-I76 HydrophobicContact CZ3-CD1 4.04Å; W72-I76 WeakPolarHBondContact O-CG2 3.19Å; W72-I76 PolarHBondContact O-N 2.87Å; L73-I76 HydrophobicContact CD2-CD1 4.26Å; L73-I76 PolarHBondContact O-N 3.15Å; I76-F166 HydrophobicContact CD1-CE2 4.34Å; I76-F166 HydrophobicContact CD1-CZ 4Å
77T95.2Very high96Very high57 Ų5763.5 Ų63.535%0.3534%0.341SS..Hα-helixtrans-103.9-24-175.866.20000113.5L73 I79L73-T77 WeakPolarHBondContact O-CB 3.29Å; L73-T77 WeakPolarHBondContact O-CG2 3.45Å; L73-T77 PolarHBondContact O-N 3.42Å; L73-T77 PolarHBondContact O-OG1 3.2Å; T77-I79 HydrophobicContact CG2-CD1 4.33Å; T77-I79 PolarHBondContact O-N 3.37Å; T77-I79 WeakPolarHBondContact OG1-CB 3.44Å; T77-I79 WeakPolarHBondContact OG1-CG1 3.29Å; T77-I79 PolarHBondContact OG1-N 3.39Å; T77-I79 VanDerWaalsContact OG1-N 3.15Å
78G95.8Very high96Very high64 Ų6458.5 Ų58.566%0.6632%0.315SS*.  trans70.96.4-169.700000114.4K74K74-G78 WeakPolarHBondContact O-CA 3.38Å; K74-G78 PolarHBondContact O-N 2.95Å
79I95.1Very high96Very high11 Ų1156 Ų566%0.05630%0.297CS..  trans-74.8129.2-179.2-64.1171.2000110T77 L81 R110 V111 E168T77-I79 HydrophobicContact CG2-CD1 4.33Å; T77-I79 PolarHBondContact O-N 3.37Å; T77-I79 WeakPolarHBondContact OG1-CB 3.44Å; T77-I79 WeakPolarHBondContact OG1-CG1 3.29Å; T77-I79 PolarHBondContact OG1-N 3.39Å; T77-I79 VanDerWaalsContact OG1-N 3.15Å; I79-L81 VanDerWaalsContact C-N 3.29Å; I79-L81 HydrophobicContact CB-CG 4.49Å; I79-L81 HydrophobicContact CG2-CD2 3.61Å; I79-L81 HydrophobicContact CG2-CG 3.99Å; I79-L81 PolarHBondContact O-N 3.16Å; I79-R110 HydrophobicContact CG2-CB 4.13Å; I79-R110 HydrophobicContact CG2-CG 4.47Å; I79-V111 HydrophobicContact CD1-CG2 3.86Å; I79-E168 HydrophobicContact CD1-CB 4.32Å; I79-E168 HydrophobicContact CD1-CG 3.98Å; I79-E168 WeakPolarHBondContact CD1-OE1 3.49Å
80P95.2Very high96Very high78 Ų7855.3 Ų55.351%0.50629%0.294SS..  trans-77.873.318031.3-34.8000111.9P196P80-P196 HydrophobicContact CG-CG 4.02Å; P80-P196 WeakPolarHBondContact O-CD 3.44Å
81L97.1Very high96Very high6 Ų655.3 Ų55.33%0.03129%0.294CS..PPolyproline II helixtrans-67.5144.1178.8-58.2172.2000111.8L73 K74 I79 R110 V111 F193 H194L73-L81 HydrophobicContact CB-CD1 3.93Å; K74-L81 WeakPolarHBondContact CE-O 3.34Å; K74-L81 HydrophobicContact CG-CB 4.1Å; K74-L81 HydrophobicContact CG-CD1 4.24Å; K74-L81 HydrophobicContact CG-CG 4.32Å; K74-L81 PolarHBondContact NZ-O 2.97Å; I79-L81 VanDerWaalsContact C-N 3.29Å; I79-L81 HydrophobicContact CB-CG 4.49Å; I79-L81 HydrophobicContact CG2-CD2 3.61Å; I79-L81 HydrophobicContact CG2-CG 3.99Å; I79-L81 PolarHBondContact O-N 3.16Å; L81-R110 HydrophobicContact CD2-CB 3.75Å; L81-V111 HydrophobicContact CD2-CG2 4.21Å; L81-F193 HydrophobicContact CD1-CB 3.93Å; L81-F193 HydrophobicContact CD1-CG 4.4Å; L81-F193 HydrophobicContact CD2-CB 3.96Å; L81-F193 HydrophobicContact CG-CB 4.47Å; L81-H194 CarbonylContact C-O 3.52Å; L81-H194 VanDerWaalsContact CA-O 3.22Å; L81-H194 WeakPolarHBondContact CA-O 3.47Å
82Y96.7Very high96Very high103 Ų10353.3 Ų53.340%0.40428%0.279SS..PPolyproline II helixtrans-70.5137.3174.3-62.8-38.3000111.1K85 H194 G195 P196Y82-K85 HydrophobicContact CD2-CD 4.14Å; Y82-H194 HydrophobicContact CD2-CB 3.91Å; Y82-H194 PolarHBondContact N-O 3.17Å; Y82-G195 VanDerWaalsContact CE2-O 3.27Å; Y82-G195 WeakPolarHBondContact CE2-O 3.45Å; Y82-P196 HydrophobicContact CE1-CG 4.19Å; Y82-P196 WeakPolarHBondContact OH-CA 3.5Å
83E93.6Very high96Very high124 Ų12448 Ų4858%0.57926%0.259SS*.THydrogen-bonded Turntrans-64.8143.4173.9-57.3-60165.500110.6K74 K85K74-E83 IonicContact NZ-OE1 3.56Å; K74-E83 PolarHBondContact NZ-OE1 3.47Å; K74-E83 IonicContact NZ-OE2 2.7Å; E83-K85 PolarHBondContact O-N 3.31Å
84N89.7Confident95.9Very high119 Ų11951.9 Ų51.964%0.63628%0.276SS*.THydrogen-bonded Turntrans61.18.3175.6-56.2-45.2000116.8
85K93.4Very high95.8Very high94 Ų9452.2 Ų52.241%0.40928%0.278SS..  trans-11194.5-179.1-160.4175.8178.2-169.30111.7Y82 E83 H194Y82-K85 HydrophobicContact CD2-CD 4.14Å; E83-K85 PolarHBondContact O-N 3.31Å; K85-H194 HydrophobicContact CB-CB 4.08Å; K85-H194 HydrophobicContact CD-CB 3.59Å; K85-H194 WeakPolarHBondContact CE-ND1 3.23Å; K85-H194 HydrophobicContact CG-CB 3.74Å; K85-H194 PolarHBondContact O-N 3.05Å
86V96.1Very high95.6Very high2 Ų245.8 Ų45.81%0.01225%0.245CC..BIsolated β-bridgetrans-135.9132.2171.370.90000109.4R62 L65 L66 F113 W192 F193R62-V86 HydrophobicContact CG-CG1 4.12Å; R62-V86 PolarHBondContact NH2-O 2.82Å; L65-V86 HydrophobicContact CB-CG2 4.48Å; L65-V86 HydrophobicContact CD1-CG2 4.29Å; L66-V86 HydrophobicContact CD1-CG1 4.33Å; L66-V86 HydrophobicContact CD2-CB 3.96Å; L66-V86 HydrophobicContact CD2-CG1 3.46Å; L66-V86 VanDerWaalsContact CD2-CG1 3.46Å; L66-V86 HydrophobicContact CG-CG1 3.68Å; V86-F113 HydrophobicContact CG2-CE1 3.88Å; V86-F113 HydrophobicContact CG2-CZ 4.39Å; V86-W192 WeakPolarHBondContact CA-O 3.49Å; V86-F193 HydrophobicContact CB-CD1 4.1Å; V86-F193 HydrophobicContact CB-CE1 4.19Å; V86-F193 HydrophobicContact CG2-CD1 3.74Å; V86-F193 HydrophobicContact CG2-CE1 3.66Å; V86-F193 HydrophobicContact CG2-CG 4.27Å; V86-F193 HydrophobicContact CG2-CZ 4.13Å
87D95.6Very high95.6Very high43 Ų4342 Ų4223%0.2323%0.226CC..  trans-90141.9170.2-56.7-16.5000108.3D38 G191 W192 H194D38-D87 WeakPolarHBondContact OD2-CA 3.45Å; D87-G191 WeakPolarHBondContact O-CA 3.34Å; D87-W192 HydrophobicContact CB-CE3 4.28Å; D87-W192 PolarHBondContact N-O 3.37Å; D87-H194 IonicContact OD1-CD2 3.88Å; D87-H194 IonicContact OD1-NE2 2.62Å; D87-H194 PolarHBondContact OD1-NE2 3.33Å; D87-H194 VanDerWaalsContact OD1-NE2 3.16Å; D87-H194 IonicContact OD2-CD2 2.73Å; D87-H194 IonicContact OD2-CE1 2.68Å; D87-H194 PolarHBondContact OD2-CE1 3.25Å; D87-H194 IonicContact OD2-NE2 3.14Å; D87-H194 PolarHBondContact OD2-NE2 2.85Å
88L97Very high95.7Very high0 Ų039.7 Ų39.70%021%0.211CC..  trans-145.1109.4177.3176.964.9000109.5D38 V39 F61 R62 L65 F113 L189D38-L88 CarbonylContact C-O 3.54Å; D38-L88 WeakPolarHBondContact CA-O 3.34Å; D38-L88 PolarHBondContact OD2-N 3.42Å; V39-L88 HydrophobicContact CB-CB 4.23Å; V39-L88 HydrophobicContact CB-CD2 3.92Å; V39-L88 HydrophobicContact CB-CG 4.09Å; V39-L88 HydrophobicContact CG1-CD2 4.09Å; V39-L88 HydrophobicContact CG2-CB 4.41Å; V39-L88 HydrophobicContact CG2-CD2 3.85Å; V39-L88 HydrophobicContact CG2-CG 3.82Å; V39-L88 WeakPolarHBondContact CG2-O 3.13Å; V39-L88 PolarHBondContact N-O 2.96Å; F61-L88 HydrophobicContact CD1-CD1 4.21Å; F61-L88 HydrophobicContact CD1-CD2 3.83Å; F61-L88 HydrophobicContact CE1-CD1 3.99Å; F61-L88 HydrophobicContact CE1-CD2 4.4Å; R62-L88 HydrophobicContact CB-CD2 3.88Å; R62-L88 HydrophobicContact CG-CD2 4.41Å; L65-L88 HydrophobicContact CD1-CD1 4.16Å; L65-L88 HydrophobicContact CD1-CD2 4.27Å; L88-F113 HydrophobicContact CD1-CE2 3.99Å; L88-F113 HydrophobicContact CD1-CZ 3.93Å; L88-L189 HydrophobicContact CD1-CB 4.12Å
89T96.9Very high95.8Very high13 Ų1337.6 Ų37.68%0.0818%0.184CC..EExtended strand (participates in β ladder)trans-123.2166.9177.560.40000110.3D38 L189 H190D38-T89 HydrophobicContact CB-CG2 4.09Å; T89-L189 CarbonylContact O-C 3.42Å; T89-L189 WeakPolarHBondContact O-CA 3.19Å; T89-H190 PolarHBondContact N-O 2.86Å; T89-H190 PolarHBondContact O-N 2.89Å; T89-H190 PolarHBondContact OG1-CE1 2.83Å; T89-H190 VanDerWaalsContact OG1-CE1 3.28Å; T89-H190 PolarHBondContact OG1-NE2 3.35Å; T89-H190 PolarHBondContact OG1-O 2.82Å
90S97.9Very high95.9Very high0 Ų037.3 Ų37.30%018%0.183CC..EExtended strand (participates in β ladder)trans-115.3136.9171.6-166.50000109.8F23 Q35 S36 S188F23-S90 WeakPolarHBondContact CE1-O 3.38Å; Q35-S90 WeakPolarHBondContact CA-O 3.24Å; S36-S90 PolarHBondContact N-O 3.19Å; S36-S90 WeakPolarHBondContact OG-CB 3.48Å; S36-S90 PolarHBondContact OG-N 3.45Å; S36-S90 PolarHBondContact OG-O 2.92Å; S90-S188 WeakPolarHBondContact CA-O 3.07Å; S90-S188 PolarHBondContact OG-O 2.88Å
91S97.9Very high96Very high1 Ų133.7 Ų33.71%0.00716%0.159CC..EExtended strand (participates in β ladder)trans-119.4137.7172.5-75.70000110.7F33 Y34 S188 H190F33-S91 VanDerWaalsContact CE2-OG 3.28Å; F33-S91 WeakPolarHBondContact CE2-OG 3.43Å; Y34-S91 CarbonylContact O-C 3.58Å; Y34-S91 WeakPolarHBondContact O-CA 3.45Å; S91-S188 PolarHBondContact N-O 2.91Å; S91-S188 PolarHBondContact O-N 3.05Å; S91-H190 PolarHBondContact OG-CD2 3.48Å; S91-H190 PolarHBondContact OG-NE2 2.9Å
92L97.8Very high95.9Very high16 Ų1634.6 Ų34.68%0.08416%0.163CC..EExtended strand (participates in β ladder)trans-123.6109.6176.8169.764.6000108.9F23 Y34 K94 K185 L187F23-L92 HydrophobicContact CD1-CB 4.12Å; F23-L92 HydrophobicContact CE1-CB 3.8Å; F23-L92 HydrophobicContact CZ-CB 4.15Å; Y34-L92 WeakPolarHBondContact CB-O 3.33Å; Y34-L92 PolarHBondContact N-O 2.8Å; Y34-L92 PolarHBondContact O-N 2.67Å; L92-K94 HydrophobicContact CG-CG 4.43Å; L92-K185 HydrophobicContact CD1-CB 3.62Å; L92-K185 HydrophobicContact CD1-CD 4.04Å; L92-K185 HydrophobicContact CD1-CG 3.95Å; L92-L187 HydrophobicContact CB-CD1 4.22Å
93Y97.6Very high95.8Very high7 Ų730.9 Ų30.93%0.02715%0.151CC..EExtended strand (participates in β ladder)trans-97129.7172.7-60.3-115.2000109F33 D97 L99 V177 R186F33-Y93 HydrophobicContact CB-CD1 3.76Å; F33-Y93 HydrophobicContact CB-CD2 4.26Å; F33-Y93 HydrophobicContact CB-CE1 3.77Å; F33-Y93 HydrophobicContact CB-CE2 4.26Å; F33-Y93 HydrophobicContact CB-CG 3.99Å; F33-Y93 AromaticContact CD1-CE1 3.77Å; F33-Y93 HydrophobicContact CD1-CE1 3.77Å; F33-Y93 AromaticContact CD1-CZ 3.72Å; F33-Y93 HydrophobicContact CD2-CE2 4.4Å; F33-Y93 HydrophobicContact CG-CD1 4.41Å; F33-Y93 AromaticContact CG-CE1 3.93Å; F33-Y93 HydrophobicContact CG-CE1 3.93Å; F33-Y93 HydrophobicContact CG-CE2 4.18Å; F33-Y93 AromaticContact CG-CZ 3.77Å; Y93-D97 HydrophobicContact CD1-CB 4Å; Y93-D97 HydrophobicContact CG-CB 4.41Å; Y93-L99 HydrophobicContact CE1-CB 4.08Å; Y93-V177 HydrophobicContact CD1-CG1 4.22Å; Y93-V177 HydrophobicContact CE1-CB 4.16Å; Y93-V177 HydrophobicContact CE1-CG1 3.97Å; Y93-R186 PolarHBondContact N-O 2.87Å; Y93-R186 PolarHBondContact O-N 2.78Å
94K95Very high95.7Very high83 Ų8325.8 Ų25.836%0.36113%0.127SC..  trans-108.2178.6174-59.4-174.1-171.5168.50110.1Y34 L92 G96 D97 V180Y34-K94 HydrophobicContact CD2-CD 4.11Å; Y34-K94 HydrophobicContact CD2-CG 4.25Å; Y34-K94 HydrophobicContact CE2-CD 3.58Å; Y34-K94 VanDerWaalsContact CE2-CE 3.47Å; Y34-K94 HydrophobicContact CE2-CG 4.11Å; Y34-K94 PolarHBondContact OH-NZ 3.12Å; L92-K94 HydrophobicContact CG-CG 4.43Å; K94-G96 PolarHBondContact O-N 2.82Å; K94-D97 PolarHBondContact N-OD2 3.22Å; K94-D97 WeakPolarHBondContact O-CB 3.1Å; K94-D97 PolarHBondContact O-N 2.77Å; K94-V180 WeakPolarHBondContact O-CB 3.26Å
95H94.2Very high95.7Very high56 Ų5623 Ų2326%0.25911%0.11SC..THydrogen-bonded Turntrans-47.8123.3174.3-173.167000112.8D97 V180 F181 G182 Y183 T482H95-D97 VanDerWaalsContact C-N 3.34Å; H95-V180 CarbonylContact C-O 3.58Å; H95-V180 WeakPolarHBondContact CA-O 3.23Å; H95-F181 PolarHBondContact CE1-O 2.7Å; H95-F181 VanDerWaalsContact ND1-C 3.34Å; H95-F181 PolarHBondContact ND1-O 3.49Å; H95-G182 WeakPolarHBondContact CA-O 3.05Å; H95-G182 VanDerWaalsContact CB-O 3.3Å; H95-G182 WeakPolarHBondContact CB-O 3.28Å; H95-G182 PolarHBondContact ND1-O 2.7Å; H95-Y183 HydrophobicContact CB-CD1 4.08Å; H95-Y183 HydrophobicContact CB-CE1 4.21Å; H95-Y183 AromaticContact CD2-CE1 3.88Å; H95-Y183 AromaticContact CG-CE1 3.88Å; H95-T482 VanDerWaalsContact CD2-CG2 3.41Å; H95-T482 WeakPolarHBondContact CD2-CG2 3.34Å; H95-T482 WeakPolarHBondContact NE2-CG2 3.49Å
96G93Very high95.4Very high4 Ų423.2 Ų23.24%0.04112%0.115CC..THydrogen-bonded Turntrans83.4-1.8-179.100000115.6K94 Y98 V180 N480K94-G96 PolarHBondContact O-N 2.82Å; G96-Y98 WeakPolarHBondContact O-CD1 3.33Å; G96-V180 PolarHBondContact N-O 3.43Å; G96-N480 PolarHBondContact O-ND2 2.96Å
97D96Very high94.9Very high2 Ų231.2 Ų31.21%0.01115%0.152CC..  trans-81150.2176.5-70.5-13.4000111.1R25 A32 F33 Y93 K94 H95 E179 V180R25-D97 IonicContact CZ-OD1 3.61Å; R25-D97 VanDerWaalsContact CZ-OD1 3.22Å; R25-D97 IonicContact NH1-OD1 2.6Å; R25-D97 IonicContact NH2-OD1 2.71Å; R25-D97 PolarHBondContact NH2-OD1 3.47Å; A32-D97 VanDerWaalsContact O-CA 3.28Å; A32-D97 WeakPolarHBondContact O-CA 3.43Å; A32-D97 WeakPolarHBondContact O-CB 3.45Å; A32-D97 VanDerWaalsContact O-CG 3.28Å; F33-D97 HydrophobicContact CB-CB 4.44Å; Y93-D97 HydrophobicContact CD1-CB 4Å; Y93-D97 HydrophobicContact CG-CB 4.41Å; K94-D97 PolarHBondContact N-OD2 3.22Å; K94-D97 WeakPolarHBondContact O-CB 3.1Å; K94-D97 PolarHBondContact O-N 2.77Å; H95-D97 VanDerWaalsContact C-N 3.34Å; D97-E179 WeakPolarHBondContact O-CA 3.42Å; D97-V180 PolarHBondContact O-N 3.45Å
98Y97.1Very high94.8Very high7 Ų729.4 Ų29.43%0.02714%0.143CC..EExtended strand (participates in β ladder)trans-158165.9-172.562.1-92.2000111.3F31 A32 G96 L100 Y478F31-Y98 WeakPolarHBondContact CA-O 3.24Å; A32-Y98 HydrophobicContact CB-CD1 4.45Å; A32-Y98 HydrophobicContact CB-CE1 3.92Å; A32-Y98 PolarHBondContact N-O 3.05Å; A32-Y98 PolarHBondContact O-N 3.42Å; A32-Y98 VanDerWaalsContact O-N 3.16Å; G96-Y98 WeakPolarHBondContact O-CD1 3.33Å; Y98-L100 HydrophobicContact CD2-CD1 4.27Å; Y98-L100 HydrophobicContact CD2-CD2 3.81Å; Y98-L100 HydrophobicContact CD2-CG 3.65Å; Y98-L100 HydrophobicContact CE2-CD1 3.95Å; Y98-L100 HydrophobicContact CE2-CD2 4.31Å; Y98-L100 HydrophobicContact CE2-CG 3.82Å; Y98-Y478 AromaticContact CD1-CD1 3.38Å; Y98-Y478 HydrophobicContact CD1-CD1 3.38Å; Y98-Y478 AromaticContact CD1-CE1 3.8Å; Y98-Y478 HydrophobicContact CD1-CE1 3.8Å; Y98-Y478 HydrophobicContact CD1-CG 4.16Å; Y98-Y478 HydrophobicContact CD2-CD1 4.24Å; Y98-Y478 HydrophobicContact CD2-CG 4.28Å; Y98-Y478 AromaticContact CE1-CD1 3.38Å; Y98-Y478 HydrophobicContact CE1-CD1 3.38Å; Y98-Y478 HydrophobicContact CE1-CE1 4.25Å; Y98-Y478 AromaticContact CE1-CG 3.93Å; Y98-Y478 HydrophobicContact CE1-CG 3.93Å; Y98-Y478 HydrophobicContact CE2-CD1 4.23Å; Y98-Y478 HydrophobicContact CE2-CG 4.05Å; Y98-Y478 AromaticContact CG-CD1 3.85Å; Y98-Y478 HydrophobicContact CG-CD1 3.85Å; Y98-Y478 HydrophobicContact CG-CE1 4.1Å; Y98-Y478 HydrophobicContact CG-CG 4.35Å; Y98-Y478 AromaticContact CZ-CD1 3.84Å; Y98-Y478 AromaticContact CZ-CG 3.88Å; Y98-Y478 WeakPolarHBondContact OH-CB 3.47Å
99L98.2Very high94.7Very high20 Ų2031.5 Ų31.511%0.10515%0.151CC..EExtended strand (participates in β ladder)trans-142.1114.1166.1162.962000107.1L30 F31 Y93 H102 Q176 V177L30-L99 HydrophobicContact CD2-CD1 4.1Å; L30-L99 HydrophobicContact CG-CD1 3.93Å; F31-L99 HydrophobicContact CB-CB 4.11Å; F31-L99 HydrophobicContact CB-CD1 3.68Å; F31-L99 HydrophobicContact CD1-CD1 4.16Å; F31-L99 HydrophobicContact CG-CD1 4.33Å; Y93-L99 HydrophobicContact CE1-CB 4.08Å; L99-H102 VanDerWaalsContact CD2-CE1 3.43Å; L99-H102 WeakPolarHBondContact CD2-CE1 3.37Å; L99-H102 VanDerWaalsContact CG-CE1 3.48Å; L99-H102 WeakPolarHBondContact CG-CE1 3.28Å; L99-Q176 CarbonylContact O-C 3.37Å; L99-Q176 WeakPolarHBondContact O-CA 3.3Å; L99-Q176 VanDerWaalsContact O-CB 3.26Å; L99-Q176 WeakPolarHBondContact O-CB 3.37Å; L99-V177 HydrophobicContact CB-CB 4.03Å; L99-V177 HydrophobicContact CB-CG2 4.23Å; L99-V177 HydrophobicContact CD2-CG2 4.2Å; L99-V177 PolarHBondContact N-O 3.18Å; L99-V177 PolarHBondContact O-N 2.79Å; L99-V177 VanDerWaalsContact O-O 3.1Å
100L98Very high94.7Very high5 Ų531.8 Ų31.83%0.02615%0.151CC..EExtended strand (participates in β ladder)trans-78-177.3-171.9-58.7175.4000112.4L30 Y98 H102 Y391 L393 Y478L30-L100 HydrophobicContact CD1-CB 4.07Å; L30-L100 WeakPolarHBondContact O-CB 3.32Å; L30-L100 WeakPolarHBondContact O-CG 3.4Å; L30-L100 PolarHBondContact O-N 3.24Å; Y98-L100 HydrophobicContact CD2-CD1 4.27Å; Y98-L100 HydrophobicContact CD2-CD2 3.81Å; Y98-L100 HydrophobicContact CD2-CG 3.65Å; Y98-L100 HydrophobicContact CE2-CD1 3.95Å; Y98-L100 HydrophobicContact CE2-CD2 4.31Å; Y98-L100 HydrophobicContact CE2-CG 3.82Å; L100-H102 PolarHBondContact O-N 3.05Å; L100-H102 PolarHBondContact O-ND1 3.19Å; L100-Y391 HydrophobicContact CD1-CD1 3.84Å; L100-Y391 HydrophobicContact CD1-CD2 3.66Å; L100-Y391 HydrophobicContact CD1-CE1 4.11Å; L100-Y391 HydrophobicContact CD1-CE2 3.96Å; L100-Y391 HydrophobicContact CD1-CG 3.59Å; L100-Y391 HydrophobicContact CD2-CD1 4.11Å; L100-Y391 HydrophobicContact CD2-CE1 3.89Å; L100-Y391 HydrophobicContact CG-CE1 4.48Å; L100-L393 HydrophobicContact CB-CD1 4.34Å; L100-L393 HydrophobicContact CD1-CD2 3.77Å; L100-Y478 HydrophobicContact CD1-CD2 4.11Å; L100-Y478 HydrophobicContact CD1-CG 4.46Å; L100-Y478 HydrophobicContact CD2-CD2 3.61Å; L100-Y478 HydrophobicContact CD2-CE2 3.79Å; L100-Y478 HydrophobicContact CD2-CG 4.31Å; L100-Y478 HydrophobicContact CG-CD2 4.45Å
101C97.5Very high94.6Very high2 Ų231.8 Ų31.81%0.01415%0.151CC..EExtended strand (participates in β ladder)trans-61.4119.4-174.1-174.40000112.8Y134 P150 H175 P281 N282C101-Y134 HydrophobicContact CB-CD2 4.39Å; C101-Y134 HydrophobicContact CB-CE2 3.77Å; C101-P150 VanDerWaalsContact SG-CG 3.59Å; C101-H175 WeakPolarHBondContact CA-O 3.42Å; C101-P281 HydrophobicContact CB-CB 3.94Å; C101-N282 HydrophobicContact CB-CB 4.49Å
102H95.2Very high94.6Very high26 Ų2631.9 Ų31.912%0.1215%0.152CC..EExtended strand (participates in β ladder)trans-149170.2176.263.4-62.9000110L30 L99 L100 D104 F174 H175L30-H102 HydrophobicContact CD1-CB 4.13Å; L30-H102 HydrophobicContact CD2-CB 4.12Å; L99-H102 VanDerWaalsContact CD2-CE1 3.43Å; L99-H102 WeakPolarHBondContact CD2-CE1 3.37Å; L99-H102 VanDerWaalsContact CG-CE1 3.48Å; L99-H102 WeakPolarHBondContact CG-CE1 3.28Å; L100-H102 PolarHBondContact O-N 3.05Å; L100-H102 PolarHBondContact O-ND1 3.19Å; H102-D104 IonicContact CD2-OD1 2.75Å; H102-D104 PolarHBondContact CD2-OD1 3.27Å; H102-D104 IonicContact NE2-OD1 2.68Å; H102-D104 PolarHBondContact NE2-OD1 2.78Å; H102-F174 CarbonylContact O-C 3.57Å; H102-F174 VanDerWaalsContact O-CA 3.26Å; H102-F174 WeakPolarHBondContact O-CA 3.29Å; H102-H175 AromaticContact CD2-CE1 3.92Å; H102-H175 AromaticContact CE1-CD2 3.72Å; H102-H175 AromaticContact CE1-CE1 3.79Å; H102-H175 AromaticContact CE1-NE2 3.37Å; H102-H175 PolarHBondContact CE1-NE2 3.26Å; H102-H175 PolarHBondContact N-O 3.24Å; H102-H175 PolarHBondContact ND1-O 2.84Å; H102-H175 AromaticContact NE2-CE1 3.43Å; H102-H175 PolarHBondContact NE2-CE1 2.95Å; H102-H175 AromaticContact NE2-NE2 3.19Å; H102-H175 PolarHBondContact NE2-NE2 3.37Å; H102-H175 VanDerWaalsContact NE2-NE2 3.19Å; H102-H175 PolarHBondContact O-N 3.31Å; H102-H175 PolarHBondContact O-ND1 3.27Å
103D93.3Very high94.7Very high25 Ų2531.2 Ų31.213%0.13415%0.148CC..  trans-115.41.2-175.362.21000114.5K105 S173 F174D103-K105 PolarHBondContact O-N 3.23Å; D103-K105 WeakPolarHBondContact OD1-CB 3.18Å; D103-K105 PolarHBondContact OD1-N 3.04Å; D103-S173 PolarHBondContact O-OG 2.86Å; D103-F174 HydrophobicContact CB-CD1 3.88Å; D103-F174 HydrophobicContact CB-CE1 3.81Å; D103-F174 HydrophobicContact CB-CG 4.42Å; D103-F174 HydrophobicContact CB-CZ 4.32Å
104D93.1Very high94.7Very high16 Ų1631.9 Ų31.99%0.08615%0.152CC..  trans63.817.2-174-97.7-11.2000115.3H102 L106 R109 V169 H175 W192H102-D104 IonicContact CD2-OD1 2.75Å; H102-D104 PolarHBondContact CD2-OD1 3.27Å; H102-D104 IonicContact NE2-OD1 2.68Å; H102-D104 PolarHBondContact NE2-OD1 2.78Å; D104-L106 PolarHBondContact O-N 3.04Å; D104-R109 WeakPolarHBondContact O-CD 3.33Å; D104-R109 IonicContact OD1-NH1 3.46Å; D104-V169 HydrophobicContact CB-CG1 4.08Å; D104-V169 HydrophobicContact CB-CG2 4.16Å; D104-V169 WeakPolarHBondContact O-CG1 3.47Å; D104-H175 IonicContact OD2-CE1 2.71Å; D104-H175 IonicContact OD2-NE2 2.95Å; D104-W192 VanDerWaalsContact CG-NE1 3.31Å; D104-W192 WeakPolarHBondContact OD1-CZ2 3.38Å; D104-W192 PolarHBondContact OD2-NE1 3.47Å
105K88.2Confident94.9Very high62 Ų6229 Ų2927%0.2714%0.139SC..  trans-57.3111176179.8174.9-172.5174.80110.9D103 W199 N203D103-K105 PolarHBondContact O-N 3.23Å; D103-K105 WeakPolarHBondContact OD1-CB 3.18Å; D103-K105 PolarHBondContact OD1-N 3.04Å; K105-W199 HydrophobicContact CB-CH2 4.38Å; K105-W199 HydrophobicContact CB-CZ2 3.69Å; K105-W199 HydrophobicContact CD-CD2 3.73Å; K105-W199 HydrophobicContact CD-CE3 3.93Å; K105-W199 HydrophobicContact CD-CG 4.3Å; K105-W199 HydrophobicContact CD-CH2 3.67Å; K105-W199 HydrophobicContact CD-CZ2 3.57Å; K105-W199 HydrophobicContact CD-CZ3 3.91Å; K105-W199 HydrophobicContact CG-CD2 4.05Å; K105-W199 HydrophobicContact CG-CG 4.35Å; K105-W199 HydrophobicContact CG-CH2 4.28Å; K105-W199 HydrophobicContact CG-CZ2 3.66Å; K105-N203 PolarHBondContact NZ-OD1 2.82Å; K105-N203 VanDerWaalsContact NZ-OD1 3.11Å
106L87.3Confident95.1Very high98 Ų9826.4 Ų26.451%0.51313%0.127SC..  trans-153.1148.2165.7-155100.3000108.3D104 G108 R109D104-L106 PolarHBondContact O-N 3.04Å; L106-G108 PolarHBondContact O-N 2.99Å; L106-R109 HydrophobicContact CB-CG 4.01Å; L106-R109 PolarHBondContact O-N 3.48Å; L106-R109 VanDerWaalsContact O-N 3.15Å
107E86.4Confident95.3Very high169 Ų16926.2 Ų26.279%0.7913%0.125SC*.THydrogen-bonded Turntrans-55.2130.7-179-168.3-178173.700111.4R109E107-R109 VanDerWaalsContact C-N 3.3Å; E107-R109 PolarHBondContact O-N 2.63Å
108G92.5Very high95.4Very high5 Ų526.1 Ų26.15%0.05212%0.124CC..THydrogen-bonded Turntrans85.5-20.6177.800000115.2L106 R110 H194 G195L106-G108 PolarHBondContact O-N 2.99Å; G108-R110 PolarHBondContact O-N 3.16Å; G108-H194 CarbonylContact O-C 3.51Å; G108-H194 WeakPolarHBondContact O-CA 3.46Å; G108-H194 WeakPolarHBondContact O-CB 3.17Å; G108-G195 WeakPolarHBondContact CA-O 3.23Å; G108-G195 PolarHBondContact O-N 3.47Å
109R95.6Very high95.3Very high45 Ų4527.5 Ų27.517%0.1713%0.134CC..EExtended strand (participates in β ladder)trans-67.8129.6179.1-68.3-176178.3176.21.2111D104 L106 E107 V169 W192D104-R109 WeakPolarHBondContact O-CD 3.33Å; D104-R109 IonicContact OD1-NH1 3.46Å; L106-R109 HydrophobicContact CB-CG 4.01Å; L106-R109 PolarHBondContact O-N 3.48Å; L106-R109 VanDerWaalsContact O-N 3.15Å; E107-R109 VanDerWaalsContact C-N 3.3Å; E107-R109 PolarHBondContact O-N 2.63Å; R109-V169 HydrophobicContact CB-CG1 4.35Å; R109-V169 HydrophobicContact CB-CG2 4.33Å; R109-W192 HydrophobicContact CB-CB 4.34Å; R109-W192 HydrophobicContact CB-CG 4.23Å; R109-W192 HydrophobicContact CG-CB 3.92Å; R109-W192 HydrophobicContact CG-CD2 4.26Å; R109-W192 HydrophobicContact CG-CG 3.76Å; R109-W192 VanDerWaalsContact NH1-CZ2 3.26Å
110R96.2Very high95.2Very high18 Ų1833.2 Ų33.27%0.06817%0.165CC..EExtended strand (participates in β ladder)trans-131.4-38-178.1-75.2-57.8-59.4-84.13.2115.5I79 L81 G108 E168 V169 F193 P196I79-R110 HydrophobicContact CG2-CB 4.13Å; I79-R110 HydrophobicContact CG2-CG 4.47Å; L81-R110 HydrophobicContact CD2-CB 3.75Å; G108-R110 PolarHBondContact O-N 3.16Å; R110-E168 IonicContact CZ-OE1 3.9Å; R110-E168 IonicContact NE-OE1 3.89Å; R110-E168 IonicContact NH2-OE1 3.16Å; R110-E168 PolarHBondContact NH2-OE1 2.62Å; R110-E168 WeakPolarHBondContact O-CA 3.36Å; R110-V169 PolarHBondContact O-N 2.85Å; R110-F193 PolarHBondContact N-O 3.24Å; R110-P196 VanDerWaalsContact CD-O 3.23Å; R110-P196 WeakPolarHBondContact CD-O 3.29Å; R110-P196 PolarHBondContact NH1-O 2.91Å
111V97.6Very high95Very high1 Ų137.3 Ų37.31%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-131.6112.9174179.90000108.6L73 I79 L81 F166 F167 W192 F193L73-V111 HydrophobicContact CD1-CG1 4.09Å; L73-V111 HydrophobicContact CD2-CG1 4.37Å; I79-V111 HydrophobicContact CD1-CG2 3.86Å; L81-V111 HydrophobicContact CD2-CG2 4.21Å; V111-F166 HydrophobicContact CG1-CB 4.08Å; V111-F166 HydrophobicContact CG1-CD2 4.02Å; V111-F166 HydrophobicContact CG1-CG 4.48Å; V111-F167 WeakPolarHBondContact CA-O 3.49Å; V111-W192 CarbonylContact O-C 3.56Å; V111-W192 VanDerWaalsContact O-CA 3.31Å; V111-W192 WeakPolarHBondContact O-CA 3.35Å; V111-F193 HydrophobicContact CB-CB 4.27Å; V111-F193 HydrophobicContact CB-CD2 4.27Å; V111-F193 HydrophobicContact CG1-CD2 4.35Å; V111-F193 PolarHBondContact N-O 3.2Å; V111-F193 VanDerWaalsContact N-O 3.16Å; V111-F193 PolarHBondContact O-N 3.2Å
112A98.1Very high95Very high3 Ų338.5 Ų38.53%0.02520%0.198CC..EExtended strand (participates in β ladder)trans-80.4143.6171.200000109.2F166 F167 V169 G191A112-F166 CarbonylContact O-C 3.59Å; A112-F166 WeakPolarHBondContact O-CA 3.32Å; A112-F166 VanDerWaalsContact O-CB 3.25Å; A112-F166 WeakPolarHBondContact O-CB 3.37Å; A112-F167 HydrophobicContact CB-CD2 4.12Å; A112-F167 HydrophobicContact CB-CE1 4.01Å; A112-F167 HydrophobicContact CB-CE2 3.59Å; A112-F167 HydrophobicContact CB-CZ 3.52Å; A112-F167 PolarHBondContact N-O 3.36Å; A112-F167 PolarHBondContact O-N 3.14Å; A112-V169 HydrophobicContact CB-CG2 3.96Å; A112-G191 WeakPolarHBondContact CA-O 3.42Å
113F98.4Very high95Very high2 Ų240.3 Ų40.31%0.00921%0.209CC..EExtended strand (participates in β ladder)trans-138.7153.5174.672.6-90.1000112.2L65 V86 L88 F164 M165 F166 H190 G191 F193L65-F113 HydrophobicContact CD1-CE1 4.33Å; L65-F113 HydrophobicContact CD1-CE2 3.98Å; L65-F113 HydrophobicContact CD1-CZ 3.61Å; L65-F113 HydrophobicContact CD2-CE2 4.44Å; V86-F113 HydrophobicContact CG2-CE1 3.88Å; V86-F113 HydrophobicContact CG2-CZ 4.39Å; L88-F113 HydrophobicContact CD1-CE2 3.99Å; L88-F113 HydrophobicContact CD1-CZ 3.93Å; F113-F164 HydrophobicContact CB-CE1 4.34Å; F113-F164 HydrophobicContact CB-CE2 4.27Å; F113-F164 HydrophobicContact CB-CZ 3.73Å; F113-F164 AromaticContact CD2-CE2 3.74Å; F113-F164 HydrophobicContact CD2-CE2 3.74Å; F113-F164 AromaticContact CD2-CZ 3.96Å; F113-F164 HydrophobicContact CD2-CZ 3.96Å; F113-F164 HydrophobicContact CG-CE2 4.28Å; F113-F164 HydrophobicContact CG-CZ 4.03Å; F113-M165 CarbonylContact C-O 3.56Å; F113-M165 VanDerWaalsContact CA-O 3.22Å; F113-M165 WeakPolarHBondContact CA-O 3.42Å; F113-F166 HydrophobicContact CB-CB 3.99Å; F113-H190 VanDerWaalsContact O-CA 3.23Å; F113-H190 WeakPolarHBondContact O-CA 3.47Å; F113-H190 VanDerWaalsContact O-CB 3.24Å; F113-H190 WeakPolarHBondContact O-CB 3.35Å; F113-G191 WeakPolarHBondContact CD1-O 3.47Å; F113-G191 WeakPolarHBondContact CE1-O 3.4Å; F113-G191 PolarHBondContact N-O 2.89Å; F113-G191 PolarHBondContact O-N 3.43Å; F113-F193 AromaticContact CD1-CD2 3.84Å; F113-F193 HydrophobicContact CD1-CD2 3.84Å; F113-F193 AromaticContact CD1-CE2 3.51Å; F113-F193 HydrophobicContact CD1-CE2 3.51Å; F113-F193 HydrophobicContact CD1-CZ 4.37Å; F113-F193 HydrophobicContact CE1-CD2 4.34Å; F113-F193 AromaticContact CE1-CE2 3.99Å; F113-F193 HydrophobicContact CE1-CE2 3.99Å; F113-F193 HydrophobicContact CE1-CZ 4.47Å; F113-F193 HydrophobicContact CG-CE2 4.19Å
114I98.5Very high95.1Very high21 Ų2139.8 Ų39.811%0.10821%0.207CC..EExtended strand (participates in β ladder)trans-139.6129.7179.3-49.5163.7000108.8Y116 L131 F164 M165 L189 H190I114-Y116 HydrophobicContact CB-CE2 4.14Å; I114-Y116 WeakPolarHBondContact CD1-OH 3.35Å; I114-Y116 HydrophobicContact CG2-CD1 4.03Å; I114-Y116 HydrophobicContact CG2-CD2 4.2Å; I114-Y116 HydrophobicContact CG2-CE1 3.56Å; I114-Y116 HydrophobicContact CG2-CE2 3.72Å; I114-Y116 HydrophobicContact CG2-CG 4.34Å; I114-Y116 VanDerWaalsContact CG2-CZ 3.42Å; I114-L131 HydrophobicContact CD1-CD1 4.43Å; I114-L131 HydrophobicContact CD1-CD2 4.18Å; I114-F164 CarbonylContact O-C 3.57Å; I114-F164 WeakPolarHBondContact O-CA 3.25Å; I114-M165 PolarHBondContact N-O 3.33Å; I114-M165 PolarHBondContact O-N 3.23Å; I114-L189 CarbonylContact C-O 3.55Å; I114-H190 HydrophobicContact CG1-CB 4.3Å; I114-H190 HydrophobicContact CG2-CB 4.49Å
115W98.4Very high95.1Very high23 Ų2347.3 Ų47.39%0.08724%0.242CC..EExtended strand (participates in β ladder)trans-115.7112.9168.9-173.121.9000109.9V11 V14 F61 L117 N162 M163 F164 S188 L189V11-W115 HydrophobicContact CG2-CZ2 4.22Å; V14-W115 HydrophobicContact CB-CH2 4.26Å; V14-W115 HydrophobicContact CG1-CH2 3.93Å; V14-W115 HydrophobicContact CG1-CZ3 3.76Å; V14-W115 HydrophobicContact CG2-CH2 4.06Å; V14-W115 HydrophobicContact CG2-CZ3 4.45Å; F61-W115 HydrophobicContact CD1-CE3 4.08Å; F61-W115 HydrophobicContact CD1-CZ3 4.02Å; F61-W115 HydrophobicContact CD2-CE3 4.09Å; F61-W115 HydrophobicContact CD2-CH2 4.39Å; F61-W115 AromaticContact CD2-CZ3 3.6Å; F61-W115 HydrophobicContact CD2-CZ3 3.6Å; F61-W115 AromaticContact CE1-CE3 3.6Å; F61-W115 HydrophobicContact CE1-CE3 3.6Å; F61-W115 AromaticContact CE1-CZ3 3.99Å; F61-W115 HydrophobicContact CE1-CZ3 3.99Å; F61-W115 HydrophobicContact CE2-CD2 4.46Å; F61-W115 AromaticContact CE2-CE3 3.61Å; F61-W115 HydrophobicContact CE2-CE3 3.61Å; F61-W115 HydrophobicContact CE2-CH2 4.39Å; F61-W115 AromaticContact CE2-CZ3 3.56Å; F61-W115 HydrophobicContact CE2-CZ3 3.56Å; F61-W115 HydrophobicContact CG-CE3 4.31Å; F61-W115 AromaticContact CG-CZ3 3.84Å; F61-W115 HydrophobicContact CG-CZ3 3.84Å; F61-W115 HydrophobicContact CZ-CD2 4.18Å; F61-W115 AromaticContact CZ-CE3 3.34Å; F61-W115 HydrophobicContact CZ-CE3 3.34Å; F61-W115 AromaticContact CZ-CZ3 3.76Å; F61-W115 HydrophobicContact CZ-CZ3 3.76Å; W115-L117 HydrophobicContact CD2-CD2 4.28Å; W115-L117 HydrophobicContact CZ2-CD2 4.33Å; W115-N162 PolarHBondContact NE1-OD1 2.75Å; W115-M163 WeakPolarHBondContact CA-O 3.43Å; W115-F164 HydrophobicContact CB-CD2 3.95Å; W115-F164 HydrophobicContact CG-CD2 4.3Å; W115-S188 VanDerWaalsContact O-CA 3.3Å; W115-S188 WeakPolarHBondContact O-CA 3.48Å; W115-L189 HydrophobicContact CB-CB 4.41Å; W115-L189 HydrophobicContact CE3-CD1 3.78Å; W115-L189 HydrophobicContact CZ3-CD1 4.09Å; W115-L189 PolarHBondContact N-O 2.86Å; W115-L189 PolarHBondContact O-N 2.63Å
116Y98.4Very high95.4Very high0 Ų049.7 Ų49.70%026%0.256CS..EExtended strand (participates in β ladder)trans-83.5124.9-176.5-63.7-75.7000112I114 P159 K160 N162 M163 M165I114-Y116 HydrophobicContact CB-CE2 4.14Å; I114-Y116 WeakPolarHBondContact CD1-OH 3.35Å; I114-Y116 HydrophobicContact CG2-CD1 4.03Å; I114-Y116 HydrophobicContact CG2-CD2 4.2Å; I114-Y116 HydrophobicContact CG2-CE1 3.56Å; I114-Y116 HydrophobicContact CG2-CE2 3.72Å; I114-Y116 HydrophobicContact CG2-CG 4.34Å; I114-Y116 VanDerWaalsContact CG2-CZ 3.42Å; Y116-P159 HydrophobicContact CD1-CB 3.42Å; Y116-P159 VanDerWaalsContact CD1-CB 3.42Å; Y116-P159 HydrophobicContact CD2-CB 4.44Å; Y116-P159 HydrophobicContact CE1-CB 3.7Å; Y116-P159 HydrophobicContact CG-CB 3.81Å; Y116-K160 VanDerWaalsContact CB-O 3.28Å; Y116-K160 WeakPolarHBondContact CB-O 3.29Å; Y116-N162 PolarHBondContact O-N 2.8Å; Y116-M163 HydrophobicContact CD2-CB 4.09Å; Y116-M163 HydrophobicContact CD2-CE 3.43Å; Y116-M163 VanDerWaalsContact CD2-CE 3.43Å; Y116-M163 HydrophobicContact CD2-CG 4.41Å; Y116-M163 WeakPolarHBondContact CD2-O 3.41Å; Y116-M163 HydrophobicContact CE2-CE 3.45Å; Y116-M163 VanDerWaalsContact CE2-CE 3.45Å; Y116-M163 HydrophobicContact CG-CE 4.4Å; Y116-M163 PolarHBondContact N-O 3.13Å; Y116-M165 HydrophobicContact CE2-CE 3.36Å; Y116-M165 HydrophobicContact CE2-CG 4.11Å; Y116-M165 HydrophobicContact CE2-SD 4.42Å; Y116-M165 WeakPolarHBondContact OH-CE 3.43Å
117L98Very high95.9Very high0 Ų045.6 Ų45.60%024%0.235CC..  trans-111.129.7175.8-57.9176.4000110.7V11 V14 E15 A18 W115 L187 L189V11-L117 HydrophobicContact CG1-CD2 4.06Å; V14-L117 HydrophobicContact CG1-CD1 4.05Å; V14-L117 HydrophobicContact CG1-CD2 4.42Å; E15-L117 HydrophobicContact CB-CB 4.46Å; A18-L117 HydrophobicContact CB-CD1 4.09Å; W115-L117 HydrophobicContact CD2-CD2 4.28Å; W115-L117 HydrophobicContact CZ2-CD2 4.33Å; L117-L187 CarbonylContact C-O 3.58Å; L117-L187 WeakPolarHBondContact CA-O 3.3Å; L117-L187 HydrophobicContact CB-CB 4.27Å; L117-L187 HydrophobicContact CB-CD2 4.15Å; L117-L187 HydrophobicContact CB-CG 4.22Å; L117-L187 HydrophobicContact CD1-CD2 4.23Å; L117-L187 HydrophobicContact CD1-CG 4.48Å; L117-L187 PolarHBondContact N-O 2.67Å; L117-L189 HydrophobicContact CD1-CD1 4.03Å; L117-L189 HydrophobicContact CD1-CG 4.01Å
118V97.4Very high96.4Very high0 Ų037.6 Ų37.60%020%0.197CC..  trans-64.7156.3176.9-59.20000111.3W122 P159 R161 R186V118-W122 HydrophobicContact CB-CB 4.2Å; V118-W122 HydrophobicContact CB-CD2 4.2Å; V118-W122 HydrophobicContact CB-CE3 4.1Å; V118-W122 HydrophobicContact CB-CG 4.25Å; V118-W122 HydrophobicContact CG1-CD2 4.29Å; V118-W122 HydrophobicContact CG1-CE3 4.25Å; V118-W122 HydrophobicContact CG2-CB 4.03Å; V118-W122 HydrophobicContact CG2-CG 4.28Å; V118-P159 HydrophobicContact CG1-CB 3.99Å; V118-P159 HydrophobicContact CG1-CG 4.24Å; V118-P159 HydrophobicContact CG2-CB 4.35Å; V118-R161 WeakPolarHBondContact O-CB 3.48Å; V118-R161 WeakPolarHBondContact O-CG 3.3Å; V118-R161 PolarHBondContact O-NH1 3.41Å; V118-R161 VanDerWaalsContact O-NH1 3.15Å; V118-R186 HydrophobicContact CG1-CB 4.5Å; V118-R186 HydrophobicContact CG1-CG 4.01Å
119P95.9Very high96.6Very high37 Ų3737.3 Ų37.324%0.2420%0.195CC..  trans-57150.3170.7-2533.9000112.5S121 W122P119-S121 PolarHBondContact O-N 3.35Å; P119-S121 VanDerWaalsContact O-N 3.14Å; P119-W122 WeakPolarHBondContact O-CB 3.35Å; P119-W122 PolarHBondContact O-N 3.28Å; P119-W122 VanDerWaalsContact O-N 3.08Å
120D95Very high96.7Very high139 Ų13936.6 Ų36.674%0.74319%0.193SC*.THydrogen-bonded Turntrans-59.6-23.2172.6-78.4-45.3000112.9W122 R161D120-W122 VanDerWaalsContact C-N 3.31Å; D120-R161 VanDerWaalsContact CG-CD 3.44Å; D120-R161 WeakPolarHBondContact OD1-CD 3.46Å
121S95Very high96.8Very high92 Ų9236 Ų3664%0.64319%0.191SC*.THydrogen-bonded Turntrans-85.34178.662.50000114.3P119 D123P119-S121 PolarHBondContact O-N 3.35Å; P119-S121 VanDerWaalsContact O-N 3.14Å; S121-D123 PolarHBondContact O-N 2.88Å
122W96.5Very high96.9Very high27 Ų2737.2 Ų37.210%0.10220%0.197CC..  trans-60.1122.9-178.8-167.9-85000110.8V118 P119 D120 D127 G128 P159 V180 S184 R186V118-W122 HydrophobicContact CB-CB 4.2Å; V118-W122 HydrophobicContact CB-CD2 4.2Å; V118-W122 HydrophobicContact CB-CE3 4.1Å; V118-W122 HydrophobicContact CB-CG 4.25Å; V118-W122 HydrophobicContact CG1-CD2 4.29Å; V118-W122 HydrophobicContact CG1-CE3 4.25Å; V118-W122 HydrophobicContact CG2-CB 4.03Å; V118-W122 HydrophobicContact CG2-CG 4.28Å; P119-W122 WeakPolarHBondContact O-CB 3.35Å; P119-W122 PolarHBondContact O-N 3.28Å; P119-W122 VanDerWaalsContact O-N 3.08Å; D120-W122 VanDerWaalsContact C-N 3.31Å; W122-D127 HydrophobicContact CD2-CB 3.95Å; W122-D127 HydrophobicContact CE3-CB 4.25Å; W122-D127 HydrophobicContact CH2-CB 3.77Å; W122-D127 HydrophobicContact CZ2-CB 3.46Å; W122-D127 VanDerWaalsContact CZ2-CB 3.46Å; W122-D127 HydrophobicContact CZ3-CB 4.19Å; W122-G128 WeakPolarHBondContact CZ2-O 3.46Å; W122-G128 PolarHBondContact NE1-O 2.89Å; W122-P159 HydrophobicContact CD2-CG 4.5Å; W122-P159 HydrophobicContact CG-CG 4.4Å; W122-V180 HydrophobicContact CH2-CG1 4.02Å; W122-S184 VanDerWaalsContact CZ3-CB 3.46Å; W122-R186 HydrophobicContact CH2-CB 3.5Å; W122-R186 HydrophobicContact CH2-CG 4.26Å; W122-R186 HydrophobicContact CZ2-CB 4.08Å; W122-R186 HydrophobicContact CZ2-CG 4.37Å; W122-R186 HydrophobicContact CZ3-CB 3.91Å
123D95.9Very high96.9Very high63 Ų6339.5 Ų39.534%0.33721%0.209SC..  trans-124104.8175.7-178.9-4.3000108.8S121 Q125 I126 D127S121-D123 PolarHBondContact O-N 2.88Å; D123-Q125 PolarHBondContact O-N 3.43Å; D123-Q125 WeakPolarHBondContact OD1-CB 3.38Å; D123-Q125 PolarHBondContact OD1-N 3.09Å; D123-I126 HydrophobicContact CB-CB 4.41Å; D123-I126 HydrophobicContact CB-CD1 4.29Å; D123-I126 HydrophobicContact CB-CG1 4.4Å; D123-I126 CarbonylContact O-C 3.56Å; D123-I126 WeakPolarHBondContact O-CA 3.45Å; D123-I126 PolarHBondContact O-N 2.79Å; D123-D127 PolarHBondContact N-OD2 3.4Å; D123-D127 PolarHBondContact O-N 3.03Å
124S94.4Very high96.9Very high14 Ų1440.6 Ų40.610%0.09821%0.213CC..Hα-helixtrans-57.7-24-178.8-74.70000114.5I126 G128 E130 P158S124-I126 PolarHBondContact O-N 3.25Å; S124-G128 WeakPolarHBondContact O-CA 3.45Å; S124-G128 PolarHBondContact O-N 2.74Å; S124-G128 PolarHBondContact OG-O 2.85Å; S124-E130 WeakPolarHBondContact CB-OE1 3.46Å; S124-P158 WeakPolarHBondContact OG-CB 3.36Å
125Q94.3Very high96.8Very high174 Ų17443.4 Ų43.481%0.81323%0.225SC*.Hα-helixtrans-68.1-23.8174.1-62.1-172-21.500112.8D123D123-Q125 PolarHBondContact O-N 3.43Å; D123-Q125 WeakPolarHBondContact OD1-CB 3.38Å; D123-Q125 PolarHBondContact OD1-N 3.09Å
126I94.4Very high96.5Very high113 Ų11342.9 Ų42.958%0.57923%0.226SC*.Hα-helixtrans-105.6-47-179.3-59.2175.5000110.5D123 S124D123-I126 HydrophobicContact CB-CB 4.41Å; D123-I126 HydrophobicContact CB-CD1 4.29Å; D123-I126 HydrophobicContact CB-CG1 4.4Å; D123-I126 CarbonylContact O-C 3.56Å; D123-I126 WeakPolarHBondContact O-CA 3.45Å; D123-I126 PolarHBondContact O-N 2.79Å; S124-I126 PolarHBondContact O-N 3.25Å
127D96.1Very high96.1Very high12 Ų1247.6 Ų47.66%0.06425%0.247CC..Hα-helixtrans-90.7-21.1-171.4-64-68.6000113.5W122 D123 V180 F181 G182 S184W122-D127 HydrophobicContact CD2-CB 3.95Å; W122-D127 HydrophobicContact CE3-CB 4.25Å; W122-D127 HydrophobicContact CH2-CB 3.77Å; W122-D127 HydrophobicContact CZ2-CB 3.46Å; W122-D127 VanDerWaalsContact CZ2-CB 3.46Å; W122-D127 HydrophobicContact CZ3-CB 4.19Å; D123-D127 PolarHBondContact N-OD2 3.4Å; D123-D127 PolarHBondContact O-N 3.03Å; D127-V180 CarbonylContact O-C 3.58Å; D127-V180 VanDerWaalsContact O-CA 3.32Å; D127-V180 WeakPolarHBondContact O-CA 3.43Å; D127-F181 PolarHBondContact O-N 2.86Å; D127-G182 PolarHBondContact O-N 3.18Å; D127-G182 VanDerWaalsContact O-N 3.1Å; D127-G182 WeakPolarHBondContact OD1-CA 3.26Å; D127-S184 WeakPolarHBondContact OD1-CB 3.44Å; D127-S184 PolarHBondContact OD1-OG 3.03Å
128G97Very high95.5Very high0 Ų050 Ų500%026%0.263CS..BIsolated β-bridgetrans67.1-138.8-172.900000113.1W122 S124 E130W122-G128 WeakPolarHBondContact CZ2-O 3.46Å; W122-G128 PolarHBondContact NE1-O 2.89Å; S124-G128 WeakPolarHBondContact O-CA 3.45Å; S124-G128 PolarHBondContact O-N 2.74Å; S124-G128 PolarHBondContact OG-O 2.85Å; G128-E130 VanDerWaalsContact C-N 3.34Å; G128-E130 WeakPolarHBondContact CA-OE2 3.16Å; G128-E130 PolarHBondContact O-N 2.78Å
129G97.4Very high94.6Very high0 Ų052.4 Ų52.40%028%0.276CS..  trans7218.2172.300000115.9A178 E179 R186G129-A178 WeakPolarHBondContact CA-O 3.17Å; G129-E179 PolarHBondContact N-O 3.26Å; G129-E179 VanDerWaalsContact N-O 3.15Å; G129-R186 PolarHBondContact O-NE 2.88Å; G129-R186 PolarHBondContact O-NH2 2.79Å
130E98.4Very high93Very high30 Ų3056.6 Ų56.614%0.1430%0.3CS..  trans-67.2146.8-179.6-56.797141.400112.5S124 G128 Q132 T156 I157 V177 A178S124-E130 WeakPolarHBondContact CB-OE1 3.46Å; G128-E130 VanDerWaalsContact C-N 3.34Å; G128-E130 WeakPolarHBondContact CA-OE2 3.16Å; G128-E130 PolarHBondContact O-N 2.78Å; E130-Q132 HydrophobicContact CB-CG 4.45Å; E130-T156 HydrophobicContact CB-CG2 3.53Å; E130-T156 HydrophobicContact CG-CG2 3.71Å; E130-I157 WeakPolarHBondContact CA-O 3.16Å; E130-V177 WeakPolarHBondContact O-CA 3.41Å; E130-A178 HydrophobicContact CB-CB 4.47Å; E130-A178 PolarHBondContact O-N 2.85Å
131L98.6Very high91.2Very high4 Ų456.8 Ų56.82%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-78.2119.5162.1179.668.5000108I114 L133 I157 M165 H175I114-L131 HydrophobicContact CD1-CD1 4.43Å; I114-L131 HydrophobicContact CD1-CD2 4.18Å; L131-L133 HydrophobicContact CD2-CD2 4.09Å; L131-L133 HydrophobicContact CG-CD2 4.05Å; L131-I157 HydrophobicContact CB-CB 4.43Å; L131-I157 PolarHBondContact N-O 3.33Å; L131-I157 PolarHBondContact O-N 3.39Å; L131-M165 HydrophobicContact CB-CE 4.01Å; L131-M165 HydrophobicContact CD2-CE 3.37Å; L131-M165 HydrophobicContact CG-CE 4.32Å; L131-H175 HydrophobicContact CD1-CB 4.24Å
132Q98.5Very high89.2Confident28 Ų2854.8 Ų54.813%0.13128%0.284CS..EExtended strand (participates in β ladder)trans-111.4128.8178.4-71.5174.5-18.500109.6E130 I153 T155 T156 H175 Q176E130-Q132 HydrophobicContact CB-CG 4.45Å; Q132-I153 HydrophobicContact CB-CD1 4.31Å; Q132-I153 HydrophobicContact CB-CG1 4.32Å; Q132-I153 HydrophobicContact CB-CG2 3.98Å; Q132-I153 HydrophobicContact CG-CD1 4.36Å; Q132-I153 HydrophobicContact CG-CG2 4.2Å; Q132-I153 VanDerWaalsContact OE1-CD1 3.3Å; Q132-T155 CarbonylContact C-O 3.56Å; Q132-T155 WeakPolarHBondContact CA-O 3.34Å; Q132-T156 HydrophobicContact CG-CG2 3.99Å; Q132-H175 CarbonylContact O-C 3.57Å; Q132-H175 WeakPolarHBondContact O-CA 3.35Å; Q132-H175 WeakPolarHBondContact O-CB 3.35Å; Q132-Q176 HydrophobicContact CB-CG 3.81Å; Q132-Q176 PolarHBondContact N-O 3.35Å; Q132-Q176 PolarHBondContact O-N 3.38Å
133L98.4Very high87Confident51 Ų5162.1 Ų62.127%0.26733%0.325SS..EExtended strand (participates in β ladder)trans-105.8134.5179.8-51.1-178.8000109.6L131 I153 S154 T155 I157 H175L131-L133 HydrophobicContact CD2-CD2 4.09Å; L131-L133 HydrophobicContact CG-CD2 4.05Å; L133-I153 CarbonylContact O-C 3.43Å; L133-I153 WeakPolarHBondContact O-CA 3.29Å; L133-S154 PolarHBondContact O-N 2.99Å; L133-S154 PolarHBondContact O-OG 2.66Å; L133-S154 VanDerWaalsContact O-OG 3.12Å; L133-T155 PolarHBondContact N-O 2.93Å; L133-T155 PolarHBondContact O-N 3.17Å; L133-I157 HydrophobicContact CD1-CD1 4.21Å; L133-H175 HydrophobicContact CD2-CB 3.76Å
134Y98.1Very high85.1Confident24 Ų2461.2 Ų61.29%0.09432%0.324CS..EExtended strand (participates in β ladder)trans-96.1146.8-179.2-74.5-93.9000112.2C101 P150 Q152 I153 F174 Q176 P281C101-Y134 HydrophobicContact CB-CD2 4.39Å; C101-Y134 HydrophobicContact CB-CE2 3.77Å; Y134-P150 HydrophobicContact CD1-CB 4.14Å; Y134-P150 HydrophobicContact CG-CB 4.04Å; Y134-Q152 CarbonylContact C-O 3.5Å; Y134-Q152 WeakPolarHBondContact CA-O 3.18Å; Y134-I153 HydrophobicContact CD1-CG1 4.13Å; Y134-I153 HydrophobicContact CE1-CG1 3.66Å; Y134-I153 HydrophobicContact CE2-CG1 4.29Å; Y134-F174 PolarHBondContact N-O 3.1Å; Y134-Q176 HydrophobicContact CE2-CB 4.15Å; Y134-Q176 HydrophobicContact CE2-CG 3.81Å; Y134-Q176 PolarHBondContact OH-NE2 2.94Å; Y134-Q176 PolarHBondContact OH-OE1 2.9Å; Y134-P281 HydrophobicContact CD1-CB 4.35Å; Y134-P281 HydrophobicContact CD1-CG 4.12Å; Y134-P281 HydrophobicContact CE1-CB 3.66Å; Y134-P281 HydrophobicContact CE1-CG 3.61Å
135E96.5Very high83.5Confident80 Ų8067.5 Ų67.537%0.37436%0.356SS..EExtended strand (participates in β ladder)trans-70.6147.7159.2-58.9-173.3156.900109.7P150 T151 Q152E135-P150 CarbonylContact O-C 3.49Å; E135-P150 WeakPolarHBondContact O-CA 3.43Å; E135-T151 WeakPolarHBondContact CB-OG1 3.16Å; E135-T151 PolarHBondContact O-N 3.49Å; E135-T151 PolarHBondContact O-OG1 2.91Å; E135-T151 VanDerWaalsContact O-OG1 3.05Å; E135-Q152 HydrophobicContact CG-CG 4.35Å; E135-Q152 PolarHBondContact N-O 3.26Å; E135-Q152 PolarHBondContact OE2-NE2 3.03Å
136S92.9Very high82.2Confident13 Ų1362.7 Ų62.79%0.09133%0.334CS..EExtended strand (participates in β ladder)trans-125.9143.2177.957.90000112.5F149 R172S136-F149 VanDerWaalsContact CA-O 3.28Å; S136-F149 WeakPolarHBondContact CA-O 3.5Å; S136-R172 WeakPolarHBondContact OG-CB 3.43Å; S136-R172 PolarHBondContact OG-NE 2.92Å
137Q89.4Confident81.4Confident98 Ų9857.7 Ų57.746%0.45831%0.308SS..EExtended strand (participates in β ladder)trans-121.1145.9176.3-64.8-66.3-29.500109.7F148 F149 T151Q137-F148 CarbonylContact O-C 3.53Å; Q137-F148 VanDerWaalsContact O-CA 3.26Å; Q137-F148 WeakPolarHBondContact O-CA 3.32Å; Q137-F149 HydrophobicContact CB-CD1 4.44Å; Q137-F149 HydrophobicContact CB-CE1 3.84Å; Q137-F149 HydrophobicContact CB-CE2 4.3Å; Q137-F149 HydrophobicContact CB-CZ 3.76Å; Q137-F149 PolarHBondContact N-O 2.85Å; Q137-F149 VanDerWaalsContact O-CD1 3.29Å; Q137-F149 WeakPolarHBondContact O-CD1 3.33Å; Q137-F149 PolarHBondContact O-N 3.26Å; Q137-T151 HydrophobicContact CB-CG2 4.27Å; Q137-T151 HydrophobicContact CG-CG2 3.68Å
138P86Confident81Confident51 Ų5158.5 Ų58.533%0.33131%0.311SS..EExtended strand (participates in β ladder)trans-67.6147.8174.229.5-34000110.7T140 N147 F148 F149P138-T140 PolarHBondContact O-N 3.03Å; P138-N147 WeakPolarHBondContact CA-O 3.3Å; P138-F148 HydrophobicContact CB-CD1 4.35Å; P138-F148 HydrophobicContact CB-CE1 4.15Å; P138-F149 WeakPolarHBondContact O-CE1 3.27Å
139I78.2Confident80.6Confident51 Ų5161.9 Ų61.926%0.26233%0.326SS..  trans-74.6117.4171-59-178.6000107.7D141 N147 F149I139-D141 VanDerWaalsContact C-N 3.31Å; I139-D141 PolarHBondContact O-N 2.89Å; I139-D141 VanDerWaalsContact O-N 3.13Å; I139-N147 HydrophobicContact CB-CB 4.41Å; I139-N147 HydrophobicContact CD1-CB 4.02Å; I139-N147 HydrophobicContact CG1-CB 4.3Å; I139-N147 PolarHBondContact N-O 2.87Å; I139-F149 HydrophobicContact CG1-CD1 3.82Å
140T61.6Low80.4Confident124 Ų12461.9 Ų61.976%0.76133%0.326SS*.THydrogen-bonded Turntrans-75.3-1.2-156.447.70000117.4P138P138-T140 PolarHBondContact O-N 3.03Å
141D58.7Low80.3Confident143 Ų14362.7 Ų62.777%0.76533%0.333SS*.THydrogen-bonded Turntrans-115.9-8.6-171.8-67.9-14.5000114.6I139I139-D141 VanDerWaalsContact C-N 3.31Å; I139-D141 PolarHBondContact O-N 2.89Å; I139-D141 VanDerWaalsContact O-N 3.13Å
142D52.6Low80.1Confident51 Ų5168.2 Ų68.227%0.27336%0.359SS..SBendtrans-103.7120.1172.7-67.9-30.2000108.3S144 I205D142-S144 WeakPolarHBondContact CB-OG 3.12Å; D142-S144 PolarHBondContact O-N 3.3Å; D142-I205 WeakPolarHBondContact OD2-CB 3.47Å; D142-I205 WeakPolarHBondContact OD2-CD1 3.38Å; D142-I205 VanDerWaalsContact OD2-CG2 3.3Å; D142-I205 WeakPolarHBondContact OD2-CG2 3.49Å
143N50.5Low80.1Confident181 Ų18170 Ų7097%0.96837%0.368SS*.SBendtrans-64.721.5172.6-70.4-60.5000113.2
144S56.1Low80Confident44 Ų4470.4 Ų70.431%0.30838%0.376SS..  trans-97.3116.1170.957.20000109.3D142 E146D142-S144 WeakPolarHBondContact CB-OG 3.12Å; D142-S144 PolarHBondContact O-N 3.3Å; S144-E146 PolarHBondContact O-N 3.01Å
145D59.8Low80Confident146 Ų14672.2 Ų72.278%0.78139%0.389SS*.THydrogen-bonded Turntrans-68.322.7173-76.8-32.9000113F148D145-F148 VanDerWaalsContact O-CE2 3.3Å; D145-F148 WeakPolarHBondContact O-CE2 3.33Å
146E67Low80.1Confident73 Ų7371.7 Ų71.734%0.34139%0.392SS..THydrogen-bonded Turntrans-108.6-20-168.7-63.2-173.1-17100113S144 P171 T200S144-E146 PolarHBondContact O-N 3.01Å; E146-P171 WeakPolarHBondContact O-CB 3.37Å; E146-T200 PolarHBondContact OE1-OG1 2.81Å; E146-T200 VanDerWaalsContact OE1-OG1 3.07Å; E146-T200 PolarHBondContact OE2-OG1 3.43Å
147N77.4Confident80.3Confident8 Ų873.2 Ų73.24%0.04340%0.398CS..  trans-107.6120.1-175-72-27.5000112.4P138 I139 N203P138-N147 WeakPolarHBondContact CA-O 3.3Å; I139-N147 HydrophobicContact CB-CB 4.41Å; I139-N147 HydrophobicContact CD1-CB 4.02Å; I139-N147 HydrophobicContact CG1-CB 4.3Å; I139-N147 PolarHBondContact N-O 2.87Å; N147-N203 PolarHBondContact OD1-OD1 2.85Å; N147-N203 VanDerWaalsContact OD1-OD1 3.09Å
148F87.4Confident80.7Confident29 Ų2970.9 Ų70.913%0.12739%0.392CS..EExtended strand (participates in β ladder)trans-128154.9179.3-63.8-96.1000111.8Q137 P138 D145 P171 R172 F174Q137-F148 CarbonylContact O-C 3.53Å; Q137-F148 VanDerWaalsContact O-CA 3.26Å; Q137-F148 WeakPolarHBondContact O-CA 3.32Å; P138-F148 HydrophobicContact CB-CD1 4.35Å; P138-F148 HydrophobicContact CB-CE1 4.15Å; D145-F148 VanDerWaalsContact O-CE2 3.3Å; D145-F148 WeakPolarHBondContact O-CE2 3.33Å; F148-P171 WeakPolarHBondContact CB-O 3.46Å; F148-P171 HydrophobicContact CD2-CB 3.86Å; F148-P171 HydrophobicContact CE2-CB 4.39Å; F148-R172 HydrophobicContact CB-CG 4.45Å; F148-R172 HydrophobicContact CD1-CG 3.92Å; F148-R172 HydrophobicContact CD2-CG 3.7Å; F148-R172 HydrophobicContact CE1-CG 4.07Å; F148-R172 HydrophobicContact CE2-CG 3.84Å; F148-R172 HydrophobicContact CG-CG 3.75Å; F148-R172 HydrophobicContact CZ-CG 4.04Å; F148-F174 HydrophobicContact CB-CE2 4.16Å; F148-F174 WeakPolarHBondContact O-CZ 3.26Å
149F89Confident81.3Confident70 Ų7068.6 Ų68.631%0.30738%0.377SS..EExtended strand (participates in β ladder)trans-126.2146.1170.366.2-84.4000111.5S136 Q137 P138 I139 T151 P280S136-F149 VanDerWaalsContact CA-O 3.28Å; S136-F149 WeakPolarHBondContact CA-O 3.5Å; Q137-F149 HydrophobicContact CB-CD1 4.44Å; Q137-F149 HydrophobicContact CB-CE1 3.84Å; Q137-F149 HydrophobicContact CB-CE2 4.3Å; Q137-F149 HydrophobicContact CB-CZ 3.76Å; Q137-F149 PolarHBondContact N-O 2.85Å; Q137-F149 VanDerWaalsContact O-CD1 3.29Å; Q137-F149 WeakPolarHBondContact O-CD1 3.33Å; Q137-F149 PolarHBondContact O-N 3.26Å; P138-F149 WeakPolarHBondContact O-CE1 3.27Å; I139-F149 HydrophobicContact CG1-CD1 3.82Å; F149-T151 HydrophobicContact CD2-CG2 4.09Å; F149-T151 HydrophobicContact CE2-CG2 3.69Å; F149-P280 HydrophobicContact CB-CB 4.31Å; F149-P280 HydrophobicContact CB-CG 4.44Å; F149-P280 HydrophobicContact CD2-CB 4.11Å
150P94.5Very high82.2Confident0 Ų072.3 Ų72.30%039%0.391CS..EExtended strand (participates in β ladder)trans-73149.3175.427.9-29.3000110.9C101 Y134 E135 F174 P280 P281 N282C101-P150 VanDerWaalsContact SG-CG 3.59Å; Y134-P150 HydrophobicContact CD1-CB 4.14Å; Y134-P150 HydrophobicContact CG-CB 4.04Å; E135-P150 CarbonylContact O-C 3.49Å; E135-P150 WeakPolarHBondContact O-CA 3.43Å; P150-F174 HydrophobicContact CB-CB 3.85Å; P150-F174 HydrophobicContact CB-CD1 4.06Å; P150-F174 HydrophobicContact CB-CD2 4.06Å; P150-F174 HydrophobicContact CB-CG 3.72Å; P150-F174 HydrophobicContact CG-CB 4.48Å; P150-F174 HydrophobicContact CG-CD1 3.79Å; P150-F174 HydrophobicContact CG-CD2 4.4Å; P150-F174 HydrophobicContact CG-CE1 4.08Å; P150-F174 HydrophobicContact CG-CG 3.97Å; P150-P280 HydrophobicContact CG-CB 4.45Å; P150-P280 WeakPolarHBondContact O-CB 3.49Å; P150-P281 HydrophobicContact CG-CB 4.43Å; P150-P281 VanDerWaalsContact O-CD 3.25Å; P150-P281 WeakPolarHBondContact O-CD 3.15Å; P150-N282 VanDerWaalsContact CD-CG 3.48Å; P150-N282 WeakPolarHBondContact CD-OD1 3.43Å; P150-N282 HydrophobicContact CG-CB 3.73Å; P150-N282 WeakPolarHBondContact CG-OD1 3.43Å
151T94.2Very high83.9Confident48 Ų4868.4 Ų68.429%0.29436%0.362SS..EExtended strand (participates in β ladder)trans-118.8-77.5-179.450.90000111.6E135 Q137 F149 P281E135-T151 WeakPolarHBondContact CB-OG1 3.16Å; E135-T151 PolarHBondContact O-N 3.49Å; E135-T151 PolarHBondContact O-OG1 2.91Å; E135-T151 VanDerWaalsContact O-OG1 3.05Å; Q137-T151 HydrophobicContact CB-CG2 4.27Å; Q137-T151 HydrophobicContact CG-CG2 3.68Å; F149-T151 HydrophobicContact CD2-CG2 4.09Å; F149-T151 HydrophobicContact CE2-CG2 3.69Å; T151-P281 WeakPolarHBondContact O-CG 3.32Å
152Q95.4Very high85.7Confident119 Ų11965 Ų6556%0.55634%0.344SS*.EExtended strand (participates in β ladder)trans-130.9159.4-178.463.4-176.8-6.600110.9Y134 E135 S154Y134-Q152 CarbonylContact C-O 3.5Å; Y134-Q152 WeakPolarHBondContact CA-O 3.18Å; E135-Q152 HydrophobicContact CG-CG 4.35Å; E135-Q152 PolarHBondContact N-O 3.26Å; E135-Q152 PolarHBondContact OE2-NE2 3.03Å; Q152-S154 PolarHBondContact O-N 2.93Å
153I97.7Very high87.9Confident65 Ų6564.5 Ų64.533%0.33334%0.341SS..EExtended strand (participates in β ladder)trans-70.2118.3175.5-62.5162.1000108.6Q132 L133 Y134Q132-I153 HydrophobicContact CB-CD1 4.31Å; Q132-I153 HydrophobicContact CB-CG1 4.32Å; Q132-I153 HydrophobicContact CB-CG2 3.98Å; Q132-I153 HydrophobicContact CG-CD1 4.36Å; Q132-I153 HydrophobicContact CG-CG2 4.2Å; Q132-I153 VanDerWaalsContact OE1-CD1 3.3Å; L133-I153 CarbonylContact O-C 3.43Å; L133-I153 WeakPolarHBondContact O-CA 3.29Å; Y134-I153 HydrophobicContact CD1-CG1 4.13Å; Y134-I153 HydrophobicContact CE1-CG1 3.66Å; Y134-I153 HydrophobicContact CE2-CG1 4.29Å
154S97.1Very high90.1Very high61 Ų6159.2 Ų59.243%0.42731%0.309SS..EExtended strand (participates in β ladder)trans-85.1-38.1174.260.10000112.2L133 Q152L133-S154 PolarHBondContact O-N 2.99Å; L133-S154 PolarHBondContact O-OG 2.66Å; L133-S154 VanDerWaalsContact O-OG 3.12Å; Q152-S154 PolarHBondContact O-N 2.93Å
155T97.7Very high92.1Very high61 Ų6158.5 Ų58.537%0.37430%0.301SS..EExtended strand (participates in β ladder)trans-141.7133-167.6-51.30000110Q132 L133 I157Q132-T155 CarbonylContact C-O 3.56Å; Q132-T155 WeakPolarHBondContact CA-O 3.34Å; L133-T155 PolarHBondContact N-O 2.93Å; L133-T155 PolarHBondContact O-N 3.17Å; T155-I157 HydrophobicContact CG2-CD1 4.26Å; T155-I157 HydrophobicContact CG2-CG1 3.86Å
156T98.2Very high93.9Very high69 Ų6955.1 Ų55.142%0.42328%0.28SS..EExtended strand (participates in β ladder)trans-120.3120.8175.1-59.70000108.9E130 Q132E130-T156 HydrophobicContact CB-CG2 3.53Å; E130-T156 HydrophobicContact CG-CG2 3.71Å; Q132-T156 HydrophobicContact CG-CG2 3.99Å
157I98.3Very high95.3Very high45 Ų4553.8 Ų53.823%0.23127%0.273CS..EExtended strand (participates in β ladder)trans-116.3111.2-174.6-51.1175000109.4E130 L131 L133 T155 M163 M165E130-I157 WeakPolarHBondContact CA-O 3.16Å; L131-I157 HydrophobicContact CB-CB 4.43Å; L131-I157 PolarHBondContact N-O 3.33Å; L131-I157 PolarHBondContact O-N 3.39Å; L133-I157 HydrophobicContact CD1-CD1 4.21Å; T155-I157 HydrophobicContact CG2-CD1 4.26Å; T155-I157 HydrophobicContact CG2-CG1 3.86Å; I157-M163 HydrophobicContact CG2-CE 4.12Å; I157-M165 HydrophobicContact CB-CE 4.24Å; I157-M165 HydrophobicContact CD1-CE 4.36Å; I157-M165 HydrophobicContact CD1-SD 4.02Å; I157-M165 HydrophobicContact CG2-CE 3.84Å; I157-M165 HydrophobicContact CG2-SD 3.73Å
158P97.9Very high96.2Very high50 Ų5057.5 Ų57.533%0.32529%0.29SS..  trans-70.4133.9176.728.7-33.9000110.4S124 M163S124-P158 WeakPolarHBondContact OG-CB 3.36Å; P158-M163 WeakPolarHBondContact O-CE 3.42Å
159P97.8Very high96.6Very high2 Ų256.2 Ų56.21%0.01329%0.285CS..  trans-65.6140.5175.530.9-36000109.8Y116 V118 W122Y116-P159 HydrophobicContact CD1-CB 3.42Å; Y116-P159 VanDerWaalsContact CD1-CB 3.42Å; Y116-P159 HydrophobicContact CD2-CB 4.44Å; Y116-P159 HydrophobicContact CE1-CB 3.7Å; Y116-P159 HydrophobicContact CG-CB 3.81Å; V118-P159 HydrophobicContact CG1-CB 3.99Å; V118-P159 HydrophobicContact CG1-CG 4.24Å; V118-P159 HydrophobicContact CG2-CB 4.35Å; W122-P159 HydrophobicContact CD2-CG 4.5Å; W122-P159 HydrophobicContact CG-CG 4.4Å
160K97.2Very high96.7Very high130 Ų13054.1 Ų54.157%0.56528%0.279SS*.  trans-131.6143.7178.3-68.9-177.8-178.9177.50109.8Y116 N162 M163Y116-K160 VanDerWaalsContact CB-O 3.28Å; Y116-K160 WeakPolarHBondContact CB-O 3.29Å; K160-N162 PolarHBondContact O-N 3.35Å; K160-M163 HydrophobicContact CB-CB 4.1Å; K160-M163 HydrophobicContact CB-SD 4.24Å; K160-M163 WeakPolarHBondContact O-CB 3.4Å; K160-M163 PolarHBondContact O-N 2.86Å
161R97.2Very high96.4Very high42 Ų4255.2 Ų55.216%0.15829%0.286CS..THydrogen-bonded Turntrans-53.6131.4177.4-172174.5-172.170.7-3.4110.4V11 E15 V118 D120 M163V11-R161 HydrophobicContact CG1-CG 4.25Å; E15-R161 IonicContact OE2-CZ 3.35Å; E15-R161 IonicContact OE2-NH1 3.65Å; E15-R161 PolarHBondContact OE2-NH1 2.81Å; E15-R161 IonicContact OE2-NH2 3.18Å; E15-R161 PolarHBondContact OE2-NH2 3.46Å; V118-R161 WeakPolarHBondContact O-CB 3.48Å; V118-R161 WeakPolarHBondContact O-CG 3.3Å; V118-R161 PolarHBondContact O-NH1 3.41Å; V118-R161 VanDerWaalsContact O-NH1 3.15Å; D120-R161 VanDerWaalsContact CG-CD 3.44Å; D120-R161 WeakPolarHBondContact OD1-CD 3.46Å; R161-M163 PolarHBondContact O-N 2.74Å
162N97.3Very high96.3Very high71 Ų7159.3 Ų59.338%0.3830%0.296SS..THydrogen-bonded Turntrans61.226.7-179.5-16436000114.7V11 W115 Y116 K160V11-N162 HydrophobicContact CG1-CB 4.22Å; V11-N162 HydrophobicContact CG2-CB 3.86Å; V11-N162 VanDerWaalsContact CG2-CG 3.43Å; V11-N162 WeakPolarHBondContact CG2-OD1 3.31Å; W115-N162 PolarHBondContact NE1-OD1 2.75Å; Y116-N162 PolarHBondContact O-N 2.8Å; K160-N162 PolarHBondContact O-N 3.35Å
163M97.6Very high96.2Very high41 Ų4154.4 Ų54.420%0.20228%0.275CS..EExtended strand (participates in β ladder)trans-88.7125.2170.7-174.317373.300109.6W115 Y116 I157 P158 K160 R161 M165W115-M163 WeakPolarHBondContact CA-O 3.43Å; Y116-M163 HydrophobicContact CD2-CB 4.09Å; Y116-M163 HydrophobicContact CD2-CE 3.43Å; Y116-M163 VanDerWaalsContact CD2-CE 3.43Å; Y116-M163 HydrophobicContact CD2-CG 4.41Å; Y116-M163 WeakPolarHBondContact CD2-O 3.41Å; Y116-M163 HydrophobicContact CE2-CE 3.45Å; Y116-M163 VanDerWaalsContact CE2-CE 3.45Å; Y116-M163 HydrophobicContact CG-CE 4.4Å; Y116-M163 PolarHBondContact N-O 3.13Å; I157-M163 HydrophobicContact CG2-CE 4.12Å; P158-M163 WeakPolarHBondContact O-CE 3.42Å; K160-M163 HydrophobicContact CB-CB 4.1Å; K160-M163 HydrophobicContact CB-SD 4.24Å; K160-M163 WeakPolarHBondContact O-CB 3.4Å; K160-M163 PolarHBondContact O-N 2.86Å; R161-M163 PolarHBondContact O-N 2.74Å; M163-M165 HydrophobicContact CE-CE 3.79Å; M163-M165 HydrophobicContact CE-CG 4.06Å; M163-M165 HydrophobicContact CE-SD 3.81Å; M163-M165 HydrophobicContact CG-CG 4.06Å; M163-M165 HydrophobicContact SD-CG 4.38Å; M163-M165 HydrophobicContact SD-SD 4.32Å
164F97.2Very high96.2Very high70 Ų7051.6 Ų51.631%0.30726%0.26SS..EExtended strand (participates in β ladder)trans-105.4124.8172.5-172.4-90.7000109F61 L65 V69 F113 I114 W115 F166F61-F164 HydrophobicContact CZ-CE2 4.37Å; L65-F164 HydrophobicContact CD2-CE2 4.37Å; L65-F164 HydrophobicContact CD2-CZ 4.45Å; V69-F164 HydrophobicContact CG1-CZ 4.47Å; F113-F164 HydrophobicContact CB-CE1 4.34Å; F113-F164 HydrophobicContact CB-CE2 4.27Å; F113-F164 HydrophobicContact CB-CZ 3.73Å; F113-F164 AromaticContact CD2-CE2 3.74Å; F113-F164 HydrophobicContact CD2-CE2 3.74Å; F113-F164 AromaticContact CD2-CZ 3.96Å; F113-F164 HydrophobicContact CD2-CZ 3.96Å; F113-F164 HydrophobicContact CG-CE2 4.28Å; F113-F164 HydrophobicContact CG-CZ 4.03Å; I114-F164 CarbonylContact O-C 3.57Å; I114-F164 WeakPolarHBondContact O-CA 3.25Å; W115-F164 HydrophobicContact CB-CD2 3.95Å; W115-F164 HydrophobicContact CG-CD2 4.3Å; F164-F166 HydrophobicContact CD1-CD1 4.19Å; F164-F166 HydrophobicContact CE1-CB 4.4Å; F164-F166 AromaticContact CE1-CD1 3.93Å; F164-F166 HydrophobicContact CE1-CD1 3.93Å
165M97.4Very high96.3Very high29 Ų2949.2 Ų49.214%0.14324%0.242CC..EExtended strand (participates in β ladder)trans-124.3149.9178.1-63.5-151-70.100110F113 I114 Y116 L131 I157 M163F113-M165 CarbonylContact C-O 3.56Å; F113-M165 VanDerWaalsContact CA-O 3.22Å; F113-M165 WeakPolarHBondContact CA-O 3.42Å; I114-M165 PolarHBondContact N-O 3.33Å; I114-M165 PolarHBondContact O-N 3.23Å; Y116-M165 HydrophobicContact CE2-CE 3.36Å; Y116-M165 HydrophobicContact CE2-CG 4.11Å; Y116-M165 HydrophobicContact CE2-SD 4.42Å; Y116-M165 WeakPolarHBondContact OH-CE 3.43Å; L131-M165 HydrophobicContact CB-CE 4.01Å; L131-M165 HydrophobicContact CD2-CE 3.37Å; L131-M165 HydrophobicContact CG-CE 4.32Å; I157-M165 HydrophobicContact CB-CE 4.24Å; I157-M165 HydrophobicContact CD1-CE 4.36Å; I157-M165 HydrophobicContact CD1-SD 4.02Å; I157-M165 HydrophobicContact CG2-CE 3.84Å; I157-M165 HydrophobicContact CG2-SD 3.73Å; M163-M165 HydrophobicContact CE-CE 3.79Å; M163-M165 HydrophobicContact CE-CG 4.06Å; M163-M165 HydrophobicContact CE-SD 3.81Å; M163-M165 HydrophobicContact CG-CG 4.06Å; M163-M165 HydrophobicContact SD-CG 4.38Å; M163-M165 HydrophobicContact SD-SD 4.32Å
166F97.7Very high96.3Very high75 Ų7547.3 Ų47.333%0.32923%0.229SC..EExtended strand (participates in β ladder)trans-152.6156.5172.665.8-83.5000110.5W72 L73 I76 V111 A112 F113 F164W72-F166 AromaticContact CH2-CE1 3.61Å; W72-F166 HydrophobicContact CH2-CE1 3.61Å; W72-F166 AromaticContact CH2-CZ 3.73Å; W72-F166 HydrophobicContact CH2-CZ 3.73Å; W72-F166 AromaticContact CZ3-CE1 3.95Å; W72-F166 HydrophobicContact CZ3-CE1 3.95Å; W72-F166 HydrophobicContact CZ3-CZ 4.1Å; L73-F166 HydrophobicContact CD2-CD2 3.68Å; L73-F166 HydrophobicContact CD2-CE2 3.58Å; L73-F166 HydrophobicContact CD2-CG 4.24Å; L73-F166 HydrophobicContact CD2-CZ 4.07Å; I76-F166 HydrophobicContact CD1-CE2 4.34Å; I76-F166 HydrophobicContact CD1-CZ 4Å; V111-F166 HydrophobicContact CG1-CB 4.08Å; V111-F166 HydrophobicContact CG1-CD2 4.02Å; V111-F166 HydrophobicContact CG1-CG 4.48Å; A112-F166 CarbonylContact O-C 3.59Å; A112-F166 WeakPolarHBondContact O-CA 3.32Å; A112-F166 VanDerWaalsContact O-CB 3.25Å; A112-F166 WeakPolarHBondContact O-CB 3.37Å; F113-F166 HydrophobicContact CB-CB 3.99Å; F164-F166 HydrophobicContact CD1-CD1 4.19Å; F164-F166 HydrophobicContact CE1-CB 4.4Å; F164-F166 AromaticContact CE1-CD1 3.93Å; F164-F166 HydrophobicContact CE1-CD1 3.93Å
167F97Very high96.3Very high44 Ų4444.4 Ų44.419%0.19321%0.211CC..EExtended strand (participates in β ladder)trans-151.6156.5175.754.9-92.5000110.5V111 A112 H175V111-F167 WeakPolarHBondContact CA-O 3.49Å; A112-F167 HydrophobicContact CB-CD2 4.12Å; A112-F167 HydrophobicContact CB-CE1 4.01Å; A112-F167 HydrophobicContact CB-CE2 3.59Å; A112-F167 HydrophobicContact CB-CZ 3.52Å; A112-F167 PolarHBondContact N-O 3.36Å; A112-F167 PolarHBondContact O-N 3.14Å; F167-H175 AromaticContact CE2-CE1 3.89Å; F167-H175 AromaticContact CZ-CE1 3.52Å; F167-H175 AromaticContact CZ-ND1 3.84Å; F167-H175 AromaticContact CZ-NE2 3.66Å
168E96.3Very high96.3Very high87 Ų8742.7 Ų42.741%0.40720%0.204SC..EExtended strand (participates in β ladder)trans-72130.7172.5179.2168.8-151.300110I79 R110 S170 S173I79-E168 HydrophobicContact CD1-CB 4.32Å; I79-E168 HydrophobicContact CD1-CG 3.98Å; I79-E168 WeakPolarHBondContact CD1-OE1 3.49Å; R110-E168 IonicContact CZ-OE1 3.9Å; R110-E168 IonicContact NE-OE1 3.89Å; R110-E168 IonicContact NH2-OE1 3.16Å; R110-E168 PolarHBondContact NH2-OE1 2.62Å; R110-E168 WeakPolarHBondContact O-CA 3.36Å; E168-S170 PolarHBondContact O-N 3.18Å; E168-S173 WeakPolarHBondContact O-CB 3.26Å
169V95.1Very high96.2Very high2 Ų240.6 Ų40.61%0.01219%0.19CC..  trans-75.4118.6170.5179.70000107.5D104 R109 R110 A112 L198D104-V169 HydrophobicContact CB-CG1 4.08Å; D104-V169 HydrophobicContact CB-CG2 4.16Å; D104-V169 WeakPolarHBondContact O-CG1 3.47Å; R109-V169 HydrophobicContact CB-CG1 4.35Å; R109-V169 HydrophobicContact CB-CG2 4.33Å; R110-V169 PolarHBondContact O-N 2.85Å; A112-V169 HydrophobicContact CB-CG2 3.96Å; V169-L198 WeakPolarHBondContact O-CD1 3.46Å
170S91.6Very high96.2Very high26 Ų2640.5 Ų40.518%0.18219%0.189CC..  trans-149.7169.7-174.769.70000110.5E168 R172 S173E168-S170 PolarHBondContact O-N 3.18Å; S170-R172 PolarHBondContact O-N 3.02Å; S170-R172 PolarHBondContact OG-N 2.95Å; S170-S173 PolarHBondContact N-OG 2.87Å; S170-S173 PolarHBondContact O-N 3.41Å; S170-S173 PolarHBondContact O-OG 3.45Å; S170-S173 PolarHBondContact OG-N 2.8Å
171P88.4Confident96Very high23 Ų2338.1 Ų38.115%0.14918%0.179CC..THydrogen-bonded Turntrans-59.6-6.7173.2-2332.7000116E146 F148 F174 W199E146-P171 WeakPolarHBondContact O-CB 3.37Å; F148-P171 WeakPolarHBondContact CB-O 3.46Å; F148-P171 HydrophobicContact CD2-CB 3.86Å; F148-P171 HydrophobicContact CE2-CB 4.39Å; P171-F174 VanDerWaalsContact O-CE2 3.29Å; P171-F174 WeakPolarHBondContact O-CE2 3.28Å; P171-W199 HydrophobicContact CB-CE3 4.46Å; P171-W199 HydrophobicContact CB-CH2 3.46Å; P171-W199 VanDerWaalsContact CB-CH2 3.46Å; P171-W199 HydrophobicContact CB-CZ2 4.15Å; P171-W199 HydrophobicContact CB-CZ3 3.59Å; P171-W199 HydrophobicContact CG-CD2 4.31Å; P171-W199 HydrophobicContact CG-CE3 3.89Å; P171-W199 HydrophobicContact CG-CH2 3.59Å; P171-W199 HydrophobicContact CG-CZ2 3.92Å; P171-W199 HydrophobicContact CG-CZ3 3.51Å
172R91.8Very high95.8Very high133 Ų13336.3 Ų36.350%0.50217%0.174SC..THydrogen-bonded Turntrans-115.3-5.8-175.7-57.2-175.278.6172.28.5113.2S136 F148 S170 F174S136-R172 WeakPolarHBondContact OG-CB 3.43Å; S136-R172 PolarHBondContact OG-NE 2.92Å; F148-R172 HydrophobicContact CB-CG 4.45Å; F148-R172 HydrophobicContact CD1-CG 3.92Å; F148-R172 HydrophobicContact CD2-CG 3.7Å; F148-R172 HydrophobicContact CE1-CG 4.07Å; F148-R172 HydrophobicContact CE2-CG 3.84Å; F148-R172 HydrophobicContact CG-CG 3.75Å; F148-R172 HydrophobicContact CZ-CG 4.04Å; S170-R172 PolarHBondContact O-N 3.02Å; S170-R172 PolarHBondContact OG-N 2.95Å; R172-F174 PolarHBondContact O-N 2.8Å
173S94.8Very high95.5Very high17 Ų1742.4 Ų42.412%0.11919%0.193CC..  trans-79.444-17450.40000113.4D103 E168 S170 H175D103-S173 PolarHBondContact O-OG 2.86Å; E168-S173 WeakPolarHBondContact O-CB 3.26Å; S170-S173 PolarHBondContact N-OG 2.87Å; S170-S173 PolarHBondContact O-N 3.41Å; S170-S173 PolarHBondContact O-OG 3.45Å; S170-S173 PolarHBondContact OG-N 2.8Å; S173-H175 PolarHBondContact O-N 2.84Å; S173-H175 PolarHBondContact O-ND1 2.86Å
174F96.9Very high95.3Very high6 Ų642.2 Ų42.23%0.02620%0.196CC..  trans-67.5125.8178.6-70-75.3000111.4H102 D103 Y134 F148 P150 P171 R172 N282H102-F174 CarbonylContact O-C 3.57Å; H102-F174 VanDerWaalsContact O-CA 3.26Å; H102-F174 WeakPolarHBondContact O-CA 3.29Å; D103-F174 HydrophobicContact CB-CD1 3.88Å; D103-F174 HydrophobicContact CB-CE1 3.81Å; D103-F174 HydrophobicContact CB-CG 4.42Å; D103-F174 HydrophobicContact CB-CZ 4.32Å; Y134-F174 PolarHBondContact N-O 3.1Å; F148-F174 HydrophobicContact CB-CE2 4.16Å; F148-F174 WeakPolarHBondContact O-CZ 3.26Å; P150-F174 HydrophobicContact CB-CB 3.85Å; P150-F174 HydrophobicContact CB-CD1 4.06Å; P150-F174 HydrophobicContact CB-CD2 4.06Å; P150-F174 HydrophobicContact CB-CG 3.72Å; P150-F174 HydrophobicContact CG-CB 4.48Å; P150-F174 HydrophobicContact CG-CD1 3.79Å; P150-F174 HydrophobicContact CG-CD2 4.4Å; P150-F174 HydrophobicContact CG-CE1 4.08Å; P150-F174 HydrophobicContact CG-CG 3.97Å; P171-F174 VanDerWaalsContact O-CE2 3.29Å; P171-F174 WeakPolarHBondContact O-CE2 3.28Å; R172-F174 PolarHBondContact O-N 2.8Å; F174-N282 HydrophobicContact CD1-CB 4.48Å; F174-N282 HydrophobicContact CE1-CB 4.28Å
175H98.3Very high95Very high10 Ų1043.6 Ų43.65%0.04620%0.202CC..EExtended strand (participates in β ladder)trans-152.9167.1-178.466.5-75.3000112C101 H102 D104 L131 Q132 L133 F167 S173C101-H175 WeakPolarHBondContact CA-O 3.42Å; H102-H175 AromaticContact CD2-CE1 3.92Å; H102-H175 AromaticContact CE1-CD2 3.72Å; H102-H175 AromaticContact CE1-CE1 3.79Å; H102-H175 AromaticContact CE1-NE2 3.37Å; H102-H175 PolarHBondContact CE1-NE2 3.26Å; H102-H175 PolarHBondContact N-O 3.24Å; H102-H175 PolarHBondContact ND1-O 2.84Å; H102-H175 AromaticContact NE2-CE1 3.43Å; H102-H175 PolarHBondContact NE2-CE1 2.95Å; H102-H175 AromaticContact NE2-NE2 3.19Å; H102-H175 PolarHBondContact NE2-NE2 3.37Å; H102-H175 VanDerWaalsContact NE2-NE2 3.19Å; H102-H175 PolarHBondContact O-N 3.31Å; H102-H175 PolarHBondContact O-ND1 3.27Å; D104-H175 IonicContact OD2-CE1 2.71Å; D104-H175 IonicContact OD2-NE2 2.95Å; L131-H175 HydrophobicContact CD1-CB 4.24Å; Q132-H175 CarbonylContact O-C 3.57Å; Q132-H175 WeakPolarHBondContact O-CA 3.35Å; Q132-H175 WeakPolarHBondContact O-CB 3.35Å; L133-H175 HydrophobicContact CD2-CB 3.76Å; F167-H175 AromaticContact CE2-CE1 3.89Å; F167-H175 AromaticContact CZ-CE1 3.52Å; F167-H175 AromaticContact CZ-ND1 3.84Å; F167-H175 AromaticContact CZ-NE2 3.66Å; S173-H175 PolarHBondContact O-N 2.84Å; S173-H175 PolarHBondContact O-ND1 2.86Å
176Q98.4Very high95Very high21 Ų2142.4 Ų42.410%0.09820%0.195CC..EExtended strand (participates in β ladder)trans-148.7161.6175.175.3176.128.600111.6L99 Q132 Y134L99-Q176 CarbonylContact O-C 3.37Å; L99-Q176 WeakPolarHBondContact O-CA 3.3Å; L99-Q176 VanDerWaalsContact O-CB 3.26Å; L99-Q176 WeakPolarHBondContact O-CB 3.37Å; Q132-Q176 HydrophobicContact CB-CG 3.81Å; Q132-Q176 PolarHBondContact N-O 3.35Å; Q132-Q176 PolarHBondContact O-N 3.38Å; Y134-Q176 HydrophobicContact CE2-CB 4.15Å; Y134-Q176 HydrophobicContact CE2-CG 3.81Å; Y134-Q176 PolarHBondContact OH-NE2 2.94Å; Y134-Q176 PolarHBondContact OH-OE1 2.9Å
177V98.4Very high95.1Very high8 Ų839 Ų395%0.04818%0.181CC..EExtended strand (participates in β ladder)trans-101111.5163.6-178.80000107.8Y93 L99 E130 R186Y93-V177 HydrophobicContact CD1-CG1 4.22Å; Y93-V177 HydrophobicContact CE1-CB 4.16Å; Y93-V177 HydrophobicContact CE1-CG1 3.97Å; L99-V177 HydrophobicContact CB-CB 4.03Å; L99-V177 HydrophobicContact CB-CG2 4.23Å; L99-V177 HydrophobicContact CD2-CG2 4.2Å; L99-V177 PolarHBondContact N-O 3.18Å; L99-V177 PolarHBondContact O-N 2.79Å; L99-V177 VanDerWaalsContact O-O 3.1Å; E130-V177 WeakPolarHBondContact O-CA 3.41Å; V177-R186 VanDerWaalsContact CG1-CZ 3.41Å
178A97.8Very high95.1Very high10 Ų1037.1 Ų37.18%0.08317%0.173CC..  trans-56151.9175.200000110.8G129 E130 V180G129-A178 WeakPolarHBondContact CA-O 3.17Å; E130-A178 HydrophobicContact CB-CB 4.47Å; E130-A178 PolarHBondContact O-N 2.85Å; A178-V180 PolarHBondContact O-N 2.83Å
179E97.1Very high95.2Very high6 Ų633 Ų333%0.02815%0.154CC..  trans-54.3138179.8-175.4-176.816200111.8D97 G129 F181 Y478 N480 Y481D97-E179 WeakPolarHBondContact O-CA 3.42Å; G129-E179 PolarHBondContact N-O 3.26Å; G129-E179 VanDerWaalsContact N-O 3.15Å; E179-F181 HydrophobicContact CB-CD1 4.44Å; E179-F181 HydrophobicContact CB-CE1 3.83Å; E179-F181 HydrophobicContact CB-CZ 4.19Å; E179-F181 HydrophobicContact CG-CD1 4.14Å; E179-F181 HydrophobicContact CG-CE1 3.9Å; E179-F181 PolarHBondContact O-N 2.74Å; E179-Y478 HydrophobicContact CB-CE1 4.41Å; E179-Y478 HydrophobicContact CG-CE1 4.43Å; E179-Y478 VanDerWaalsContact OE2-CE1 3.3Å; E179-Y478 WeakPolarHBondContact OE2-CE1 3.2Å; E179-Y478 PolarHBondContact OE2-OH 3.37Å; E179-N480 WeakPolarHBondContact OE1-CB 3.46Å; E179-N480 WeakPolarHBondContact OE2-CA 3.36Å; E179-Y481 VanDerWaalsContact CD-N 3.29Å; E179-Y481 WeakPolarHBondContact OE1-CA 3.37Å; E179-Y481 WeakPolarHBondContact OE1-CB 3.38Å; E179-Y481 PolarHBondContact OE1-N 3.47Å; E179-Y481 PolarHBondContact OE2-N 3.18Å
180V96.7Very high95.4Very high0 Ų034.2 Ų34.20%016%0.159CC..BIsolated β-bridgetrans-82.5110.1172174.30000109.3K94 H95 G96 D97 W122 D127 A178 R186K94-V180 WeakPolarHBondContact O-CB 3.26Å; H95-V180 CarbonylContact C-O 3.58Å; H95-V180 WeakPolarHBondContact CA-O 3.23Å; G96-V180 PolarHBondContact N-O 3.43Å; D97-V180 PolarHBondContact O-N 3.45Å; W122-V180 HydrophobicContact CH2-CG1 4.02Å; D127-V180 CarbonylContact O-C 3.58Å; D127-V180 VanDerWaalsContact O-CA 3.32Å; D127-V180 WeakPolarHBondContact O-CA 3.43Å; A178-V180 PolarHBondContact O-N 2.83Å; V180-R186 HydrophobicContact CG2-CB 4.28Å
181F94Very high95.6Very high79 Ų7933 Ų3335%0.34615%0.151SC..  trans-86.8-22.6176.1-51.3-56.1000112.8H95 D127 E179 Y481H95-F181 PolarHBondContact CE1-O 2.7Å; H95-F181 VanDerWaalsContact ND1-C 3.34Å; H95-F181 PolarHBondContact ND1-O 3.49Å; D127-F181 PolarHBondContact O-N 2.86Å; E179-F181 HydrophobicContact CB-CD1 4.44Å; E179-F181 HydrophobicContact CB-CE1 3.83Å; E179-F181 HydrophobicContact CB-CZ 4.19Å; E179-F181 HydrophobicContact CG-CD1 4.14Å; E179-F181 HydrophobicContact CG-CE1 3.9Å; E179-F181 PolarHBondContact O-N 2.74Å; F181-Y481 HydrophobicContact CD1-CD1 4.32Å; F181-Y481 HydrophobicContact CD1-CG 4.01Å; F181-Y481 HydrophobicContact CE1-CG 4.2Å
182G91.4Very high96.1Very high5 Ų533.1 Ų33.15%0.05215%0.148CC..SBendtrans-76.8168.8-178.800000113.3H95 D127H95-G182 WeakPolarHBondContact CA-O 3.05Å; H95-G182 VanDerWaalsContact CB-O 3.3Å; H95-G182 WeakPolarHBondContact CB-O 3.28Å; H95-G182 PolarHBondContact ND1-O 2.7Å; D127-G182 PolarHBondContact O-N 3.18Å; D127-G182 VanDerWaalsContact O-N 3.1Å; D127-G182 WeakPolarHBondContact OD1-CA 3.26Å
183Y92.5Very high96.4Very high199 Ų19926.8 Ų26.878%0.7812%0.124SC*.SBendtrans-94.4-6.9168.1-65.4-75.8000112.6H95H95-Y183 HydrophobicContact CB-CD1 4.08Å; H95-Y183 HydrophobicContact CB-CE1 4.21Å; H95-Y183 AromaticContact CD2-CE1 3.88Å; H95-Y183 AromaticContact CG-CE1 3.88Å
184S92.3Very high96.5Very high37 Ų3726.4 Ų26.426%0.25912%0.121SC..SBendtrans-64145.4173.4-52.40000110.2W122 D127 R186W122-S184 VanDerWaalsContact CZ3-CB 3.46Å; D127-S184 WeakPolarHBondContact OD1-CB 3.44Å; D127-S184 PolarHBondContact OD1-OG 3.03Å; S184-R186 PolarHBondContact O-N 3.39Å
185K91.7Very high96.4Very high99 Ų9926.1 Ų26.143%0.4312%0.12SC..  trans-80.5118.6177.3-65.9-175.3-160.9168.20110.2E19 L92 L187E19-K185 IonicContact OE1-NZ 2.7Å; E19-K185 PolarHBondContact OE1-NZ 2.81Å; L92-K185 HydrophobicContact CD1-CB 3.62Å; L92-K185 HydrophobicContact CD1-CD 4.04Å; L92-K185 HydrophobicContact CD1-CG 3.95Å; K185-L187 PolarHBondContact O-N 2.91Å
186R97.6Very high96.2Very high4 Ų428.1 Ų28.12%0.01513%0.133CC..EExtended strand (participates in β ladder)trans-8789.1169-176.8-173.3-178.8-88.211.3109.2Y93 V118 W122 G129 V177 V180 S184Y93-R186 PolarHBondContact N-O 2.87Å; Y93-R186 PolarHBondContact O-N 2.78Å; V118-R186 HydrophobicContact CG1-CB 4.5Å; V118-R186 HydrophobicContact CG1-CG 4.01Å; W122-R186 HydrophobicContact CH2-CB 3.5Å; W122-R186 HydrophobicContact CH2-CG 4.26Å; W122-R186 HydrophobicContact CZ2-CB 4.08Å; W122-R186 HydrophobicContact CZ2-CG 4.37Å; W122-R186 HydrophobicContact CZ3-CB 3.91Å; G129-R186 PolarHBondContact O-NE 2.88Å; G129-R186 PolarHBondContact O-NH2 2.79Å; V177-R186 VanDerWaalsContact CG1-CZ 3.41Å; V180-R186 HydrophobicContact CG2-CB 4.28Å; S184-R186 PolarHBondContact O-N 3.39Å
187L98.3Very high95.4Very high4 Ų429.6 Ų29.62%0.02115%0.146CC..EExtended strand (participates in β ladder)trans-91.5135.5176.2-171.767.1000110.7E15 A18 E19 F23 L92 L117 K185E15-L187 HydrophobicContact CG-CD2 4.03Å; A18-L187 HydrophobicContact CB-CD2 3.94Å; E19-L187 HydrophobicContact CG-CD2 3.88Å; F23-L187 HydrophobicContact CZ-CD1 3.89Å; L92-L187 HydrophobicContact CB-CD1 4.22Å; L117-L187 CarbonylContact C-O 3.58Å; L117-L187 WeakPolarHBondContact CA-O 3.3Å; L117-L187 HydrophobicContact CB-CB 4.27Å; L117-L187 HydrophobicContact CB-CD2 4.15Å; L117-L187 HydrophobicContact CB-CG 4.22Å; L117-L187 HydrophobicContact CD1-CD2 4.23Å; L117-L187 HydrophobicContact CD1-CG 4.48Å; L117-L187 PolarHBondContact N-O 2.67Å; K185-L187 PolarHBondContact O-N 2.91Å
188S98.4Very high94.6Very high4 Ų432.5 Ų32.53%0.02816%0.161CC..EExtended strand (participates in β ladder)trans-148141.6174.556.90000111.7S90 S91 W115S90-S188 WeakPolarHBondContact CA-O 3.07Å; S90-S188 PolarHBondContact OG-O 2.88Å; S91-S188 PolarHBondContact N-O 2.91Å; S91-S188 PolarHBondContact O-N 3.05Å; W115-S188 VanDerWaalsContact O-CA 3.3Å; W115-S188 WeakPolarHBondContact O-CA 3.48Å
189L98.3Very high93.4Very high0 Ų033.9 Ų33.90%016%0.164CC..EExtended strand (participates in β ladder)trans-90.3135.4162.3-67.4170.5000108.5V14 A18 L58 F61 L88 T89 I114 W115 L117V14-L189 HydrophobicContact CG1-CD1 3.86Å; A18-L189 HydrophobicContact CB-CD2 4.47Å; L58-L189 HydrophobicContact CD2-CD1 3.83Å; L58-L189 HydrophobicContact CD2-CD2 4.13Å; F61-L189 HydrophobicContact CD1-CD1 4.22Å; F61-L189 HydrophobicContact CE1-CD1 4.34Å; L88-L189 HydrophobicContact CD1-CB 4.12Å; T89-L189 CarbonylContact O-C 3.42Å; T89-L189 WeakPolarHBondContact O-CA 3.19Å; I114-L189 CarbonylContact C-O 3.55Å; W115-L189 HydrophobicContact CB-CB 4.41Å; W115-L189 HydrophobicContact CE3-CD1 3.78Å; W115-L189 HydrophobicContact CZ3-CD1 4.09Å; W115-L189 PolarHBondContact N-O 2.86Å; W115-L189 PolarHBondContact O-N 2.63Å; L117-L189 HydrophobicContact CD1-CD1 4.03Å; L117-L189 HydrophobicContact CD1-CG 4.01Å
190H97.7Very high91.7Very high27 Ų2738.7 Ų38.713%0.12519%0.194CC..EExtended strand (participates in β ladder)trans-152.3165.9-17971.298.5000111.5T89 S91 F113 I114T89-H190 PolarHBondContact N-O 2.86Å; T89-H190 PolarHBondContact O-N 2.89Å; T89-H190 PolarHBondContact OG1-CE1 2.83Å; T89-H190 VanDerWaalsContact OG1-CE1 3.28Å; T89-H190 PolarHBondContact OG1-NE2 3.35Å; T89-H190 PolarHBondContact OG1-O 2.82Å; S91-H190 PolarHBondContact OG-CD2 3.48Å; S91-H190 PolarHBondContact OG-NE2 2.9Å; F113-H190 VanDerWaalsContact O-CA 3.23Å; F113-H190 WeakPolarHBondContact O-CA 3.47Å; F113-H190 VanDerWaalsContact O-CB 3.24Å; F113-H190 WeakPolarHBondContact O-CB 3.35Å; I114-H190 HydrophobicContact CG1-CB 4.3Å; I114-H190 HydrophobicContact CG2-CB 4.49Å
191G97.7Very high89.8Confident1 Ų142.5 Ų42.51%0.0122%0.217CC..EExtended strand (participates in β ladder)trans170.1-161.5175.500000112D87 A112 F113D87-G191 WeakPolarHBondContact O-CA 3.34Å; A112-G191 WeakPolarHBondContact CA-O 3.42Å; F113-G191 WeakPolarHBondContact CD1-O 3.47Å; F113-G191 WeakPolarHBondContact CE1-O 3.4Å; F113-G191 PolarHBondContact N-O 2.89Å; F113-G191 PolarHBondContact O-N 3.43Å
192W97.9Very high88.1Confident25 Ų2544 Ų4410%0.09523%0.229CC..EExtended strand (participates in β ladder)trans-133.5138.4-174.5-58.7-89.3000111.4V86 D87 D104 R109 V111 H194V86-W192 WeakPolarHBondContact CA-O 3.49Å; D87-W192 HydrophobicContact CB-CE3 4.28Å; D87-W192 PolarHBondContact N-O 3.37Å; D104-W192 VanDerWaalsContact CG-NE1 3.31Å; D104-W192 WeakPolarHBondContact OD1-CZ2 3.38Å; D104-W192 PolarHBondContact OD2-NE1 3.47Å; R109-W192 HydrophobicContact CB-CB 4.34Å; R109-W192 HydrophobicContact CB-CG 4.23Å; R109-W192 HydrophobicContact CG-CB 3.92Å; R109-W192 HydrophobicContact CG-CD2 4.26Å; R109-W192 HydrophobicContact CG-CG 3.76Å; R109-W192 VanDerWaalsContact NH1-CZ2 3.26Å; V111-W192 CarbonylContact O-C 3.56Å; V111-W192 VanDerWaalsContact O-CA 3.31Å; V111-W192 WeakPolarHBondContact O-CA 3.35Å; W192-H194 PolarHBondContact O-CD2 3.03Å
193F98.1Very high86.2Confident0 Ų046.4 Ų46.40%024%0.24CC..EExtended strand (participates in β ladder)trans-85.5134.3159-61.9-86.8000108.9L65 V69 L70 L73 L81 V86 R110 V111 F113L65-F193 HydrophobicContact CB-CE1 4.21Å; L65-F193 HydrophobicContact CB-CZ 4.11Å; L65-F193 HydrophobicContact CD2-CZ 3.94Å; V69-F193 HydrophobicContact CB-CZ 4.15Å; V69-F193 HydrophobicContact CG1-CE2 4.25Å; V69-F193 HydrophobicContact CG1-CZ 3.8Å; L70-F193 HydrophobicContact CB-CD1 3.99Å; L70-F193 HydrophobicContact CB-CE1 3.8Å; L70-F193 HydrophobicContact CD1-CD1 4.2Å; L70-F193 HydrophobicContact CG-CD1 4.26Å; L73-F193 HydrophobicContact CD1-CD1 4.48Å; L73-F193 HydrophobicContact CD1-CD2 3.38Å; L73-F193 HydrophobicContact CD1-CE1 4.4Å; L73-F193 HydrophobicContact CD1-CE2 3.28Å; L73-F193 HydrophobicContact CD1-CG 4Å; L73-F193 HydrophobicContact CD1-CZ 3.83Å; L81-F193 HydrophobicContact CD1-CB 3.93Å; L81-F193 HydrophobicContact CD1-CG 4.4Å; L81-F193 HydrophobicContact CD2-CB 3.96Å; L81-F193 HydrophobicContact CG-CB 4.47Å; V86-F193 HydrophobicContact CB-CD1 4.1Å; V86-F193 HydrophobicContact CB-CE1 4.19Å; V86-F193 HydrophobicContact CG2-CD1 3.74Å; V86-F193 HydrophobicContact CG2-CE1 3.66Å; V86-F193 HydrophobicContact CG2-CG 4.27Å; V86-F193 HydrophobicContact CG2-CZ 4.13Å; R110-F193 PolarHBondContact N-O 3.24Å; V111-F193 HydrophobicContact CB-CB 4.27Å; V111-F193 HydrophobicContact CB-CD2 4.27Å; V111-F193 HydrophobicContact CG1-CD2 4.35Å; V111-F193 PolarHBondContact N-O 3.2Å; V111-F193 VanDerWaalsContact N-O 3.16Å; V111-F193 PolarHBondContact O-N 3.2Å; F113-F193 AromaticContact CD1-CD2 3.84Å; F113-F193 HydrophobicContact CD1-CD2 3.84Å; F113-F193 AromaticContact CD1-CE2 3.51Å; F113-F193 HydrophobicContact CD1-CE2 3.51Å; F113-F193 HydrophobicContact CD1-CZ 4.37Å; F113-F193 HydrophobicContact CE1-CD2 4.34Å; F113-F193 AromaticContact CE1-CE2 3.99Å; F113-F193 HydrophobicContact CE1-CE2 3.99Å; F113-F193 HydrophobicContact CE1-CZ 4.47Å; F113-F193 HydrophobicContact CG-CE2 4.19Å
194H97Very high84.3Confident10 Ų1041.6 Ų41.65%0.04623%0.228CC..EExtended strand (participates in β ladder)trans-97.3155.1-173.6-70.8-110.3000112.7L81 Y82 K85 D87 G108 W192L81-H194 CarbonylContact C-O 3.52Å; L81-H194 VanDerWaalsContact CA-O 3.22Å; L81-H194 WeakPolarHBondContact CA-O 3.47Å; Y82-H194 HydrophobicContact CD2-CB 3.91Å; Y82-H194 PolarHBondContact N-O 3.17Å; K85-H194 HydrophobicContact CB-CB 4.08Å; K85-H194 HydrophobicContact CD-CB 3.59Å; K85-H194 WeakPolarHBondContact CE-ND1 3.23Å; K85-H194 HydrophobicContact CG-CB 3.74Å; K85-H194 PolarHBondContact O-N 3.05Å; D87-H194 IonicContact OD1-CD2 3.88Å; D87-H194 IonicContact OD1-NE2 2.62Å; D87-H194 PolarHBondContact OD1-NE2 3.33Å; D87-H194 VanDerWaalsContact OD1-NE2 3.16Å; D87-H194 IonicContact OD2-CD2 2.73Å; D87-H194 IonicContact OD2-CE1 2.68Å; D87-H194 PolarHBondContact OD2-CE1 3.25Å; D87-H194 IonicContact OD2-NE2 3.14Å; D87-H194 PolarHBondContact OD2-NE2 2.85Å; G108-H194 CarbonylContact O-C 3.51Å; G108-H194 WeakPolarHBondContact O-CA 3.46Å; G108-H194 WeakPolarHBondContact O-CB 3.17Å; W192-H194 PolarHBondContact O-CD2 3.03Å
195G95.4Very high82.4Confident0 Ų044.2 Ų44.20%024%0.238CC..  trans-167.7-169.8174.400000111.5Y82 G108 S197Y82-G195 VanDerWaalsContact CE2-O 3.27Å; Y82-G195 WeakPolarHBondContact CE2-O 3.45Å; G108-G195 WeakPolarHBondContact CA-O 3.23Å; G108-G195 PolarHBondContact O-N 3.47Å; G195-S197 PolarHBondContact O-N 3.16Å
196P92.6Very high80.7Confident51 Ų5142.5 Ų42.533%0.33123%0.232SC..SBendtrans-58.1134.7174.7-24.433.5000111.5P80 Y82 R110P80-P196 HydrophobicContact CG-CG 4.02Å; P80-P196 WeakPolarHBondContact O-CD 3.44Å; Y82-P196 HydrophobicContact CE1-CG 4.19Å; Y82-P196 WeakPolarHBondContact OH-CA 3.5Å; R110-P196 VanDerWaalsContact CD-O 3.23Å; R110-P196 WeakPolarHBondContact CD-O 3.29Å; R110-P196 PolarHBondContact NH1-O 2.91Å
197S83.5Confident78.7Confident52 Ų5247.5 Ų47.536%0.36427%0.266SS..  trans-58.8144.2178.4-170.30000111.3G195 W199G195-S197 PolarHBondContact O-N 3.16Å; S197-W199 PolarHBondContact OG-N 3.03Å
198L81.3Confident77.1Confident70 Ų7051 Ų5137%0.36629%0.291SS..  trans-89.2-13.5171-68.8-179.5000112.8V169V169-L198 WeakPolarHBondContact O-CD1 3.46Å
199W72.3Confident75.8Confident38 Ų3853.6 Ų53.614%0.14430%0.304CS..  trans-92.4117.8-171.7-55.395.2000109.9K105 P171 S197 N203K105-W199 HydrophobicContact CB-CH2 4.38Å; K105-W199 HydrophobicContact CB-CZ2 3.69Å; K105-W199 HydrophobicContact CD-CD2 3.73Å; K105-W199 HydrophobicContact CD-CE3 3.93Å; K105-W199 HydrophobicContact CD-CG 4.3Å; K105-W199 HydrophobicContact CD-CH2 3.67Å; K105-W199 HydrophobicContact CD-CZ2 3.57Å; K105-W199 HydrophobicContact CD-CZ3 3.91Å; K105-W199 HydrophobicContact CG-CD2 4.05Å; K105-W199 HydrophobicContact CG-CG 4.35Å; K105-W199 HydrophobicContact CG-CH2 4.28Å; K105-W199 HydrophobicContact CG-CZ2 3.66Å; P171-W199 HydrophobicContact CB-CE3 4.46Å; P171-W199 HydrophobicContact CB-CH2 3.46Å; P171-W199 VanDerWaalsContact CB-CH2 3.46Å; P171-W199 HydrophobicContact CB-CZ2 4.15Å; P171-W199 HydrophobicContact CB-CZ3 3.59Å; P171-W199 HydrophobicContact CG-CD2 4.31Å; P171-W199 HydrophobicContact CG-CE3 3.89Å; P171-W199 HydrophobicContact CG-CH2 3.59Å; P171-W199 HydrophobicContact CG-CZ2 3.92Å; P171-W199 HydrophobicContact CG-CZ3 3.51Å; S197-W199 PolarHBondContact OG-N 3.03Å; W199-N203 WeakPolarHBondContact CZ3-ND2 3.05Å; W199-N203 WeakPolarHBondContact CZ3-OD1 3.32Å
200T60.4Low75Confident108 Ų10861.1 Ų61.166%0.66334%0.338SS*.SBendtrans-99.2-18.8176.726.70000113E146E146-T200 PolarHBondContact OE1-OG1 2.81Å; E146-T200 VanDerWaalsContact OE1-OG1 3.07Å; E146-T200 PolarHBondContact OE2-OG1 3.43Å
201V57.9Low74.5Confident79 Ų7964 Ų6448%0.47935%0.351SS..SBendtrans-136.3140.8-179.5-163.40000109
202D57.9Low74.2Confident111 Ų11165.3 Ų65.359%0.59436%0.357SS*.  trans-67.2136.2166.4-74.1-34.6000109.3N204D202-N204 PolarHBondContact O-N 2.83Å
203N52.2Low74Confident56 Ų5667.8 Ų67.830%0.29938%0.378SS..  trans-75.750-178-68.319.4000110.5K105 N147 W199 I205K105-N203 PolarHBondContact NZ-OD1 2.82Å; K105-N203 VanDerWaalsContact NZ-OD1 3.11Å; N147-N203 PolarHBondContact OD1-OD1 2.85Å; N147-N203 VanDerWaalsContact OD1-OD1 3.09Å; W199-N203 WeakPolarHBondContact CZ3-ND2 3.05Å; W199-N203 WeakPolarHBondContact CZ3-OD1 3.32Å; N203-I205 VanDerWaalsContact C-N 3.29Å; N203-I205 PolarHBondContact O-N 2.94Å
204N51.5Low73.8Confident97 Ų9768.5 Ų68.552%0.51938%0.383SS..  trans-84.2-3.4-173.2-71.2-12.1000113.2D202 M206D202-N204 PolarHBondContact O-N 2.83Å; N204-M206 PolarHBondContact O-N 3.01Å
205I52.1Low73.7Confident92 Ų9270.6 Ų70.647%0.47239%0.394SS..  trans-91.190.9-178.6-47.8175.6000108.2D142 N203D142-I205 WeakPolarHBondContact OD2-CB 3.47Å; D142-I205 WeakPolarHBondContact OD2-CD1 3.38Å; D142-I205 VanDerWaalsContact OD2-CG2 3.3Å; D142-I205 WeakPolarHBondContact OD2-CG2 3.49Å; N203-I205 VanDerWaalsContact C-N 3.29Å; N203-I205 PolarHBondContact O-N 2.94Å
206M57Low73.7Confident63 Ų6377.9 Ų77.931%0.3143%0.428SS..  trans-126.8149158.1-108.6-165.161.800110.4N204 S208 R283 A397N204-M206 PolarHBondContact O-N 3.01Å; M206-S208 PolarHBondContact O-N 3.09Å; M206-R283 PolarHBondContact SD-NE 2.93Å; M206-R283 PolarHBondContact SD-NH2 3.15Å; M206-A397 HydrophobicContact CB-CB 4.34Å
207P55.7Low73.8Confident110 Ų11076 Ų7671%0.71441%0.414SS*.PPolyproline II helixtrans-56129.1178.6-19.730000109.3
208S63.9Low74.4Confident78 Ų7879.1 Ų79.155%0.54542%0.424SS..PPolyproline II helixtrans-53.4147.1168.152.30000109.2M206 E210 D401M206-S208 PolarHBondContact O-N 3.09Å; S208-E210 PolarHBondContact O-N 2.91Å; S208-E210 VanDerWaalsContact O-N 3.12Å; S208-D401 WeakPolarHBondContact CB-OD2 3.49Å
209I72.3Confident74.9Confident58 Ų5882.1 Ų82.130%0.29744%0.436SS..PPolyproline II helixtrans-58.7122.5178.4-59.8176.1000107.9K211 T379I209-K211 PolarHBondContact O-N 3.27Å; I209-T379 HydrophobicContact CG2-CG2 3.55Å
210E80.4Confident76Confident157 Ų15787.2 Ų87.273%0.73446%0.461SS*.PPolyproline II helixtrans-60.1124.5179.4-170.6178.7179.400109.9S208S208-E210 PolarHBondContact O-N 2.91Å; S208-E210 VanDerWaalsContact O-N 3.12Å
211K87.8Confident77.7Confident89 Ų8982.6 Ų82.639%0.38743%0.432SS..  trans-104.7125.5179.8-74.7171.7-168.7166.20108.2I209 H377 L378 F531I209-K211 PolarHBondContact O-N 3.27Å; K211-H377 HydrophobicContact CB-CB 3.99Å; K211-H377 HydrophobicContact CG-CB 4.46Å; K211-L378 WeakPolarHBondContact CA-O 3.44Å; K211-F531 HydrophobicContact CD-CD2 4.24Å; K211-F531 HydrophobicContact CD-CE2 4.43Å; K211-F531 HydrophobicContact CD-CG 4.49Å; K211-F531 HydrophobicContact CG-CD2 4.08Å; K211-F531 HydrophobicContact CG-CE2 4.04Å
212I91.9Very high79.6Confident28 Ų2879.3 Ų79.314%0.14441%0.412CS..BIsolated β-bridgetrans-113.9156.6-179.755143.9000110.9K309 L378 E380I212-K309 HydrophobicContact CD1-CD 3.96Å; I212-K309 HydrophobicContact CD1-CG 4.06Å; I212-L378 HydrophobicContact CD1-CD1 3.84Å; I212-L378 HydrophobicContact CD1-CG 4.19Å; I212-L378 HydrophobicContact CG1-CD1 4.22Å; I212-L378 HydrophobicContact CG1-CG 4.04Å; I212-L378 WeakPolarHBondContact CG1-O 3.37Å; I212-L378 PolarHBondContact N-O 3.43Å; I212-L378 PolarHBondContact O-N 3.25Å; I212-E380 WeakPolarHBondContact CD1-OE2 3.06Å
213S93.1Very high81.4Confident77 Ų7779.3 Ų79.354%0.53841%0.405SS..  trans-80.9150.7173.2-590000111.5
214P94.1Very high83.5Confident15 Ų1579.8 Ų79.810%0.09741%0.405CS..  trans-65.9160.4175.730.3-37.5000111.6K309 E311 L314 L375 L378P214-K309 VanDerWaalsContact CA-O 3.26Å; P214-K309 WeakPolarHBondContact CA-O 3.48Å; P214-E311 HydrophobicContact CB-CG 3.95Å; P214-E311 HydrophobicContact CG-CG 3.99Å; P214-L314 HydrophobicContact CB-CD1 3.79Å; P214-L314 HydrophobicContact CB-CG 4.5Å; P214-L314 HydrophobicContact CG-CD1 3.73Å; P214-L375 HydrophobicContact CG-CB 4.47Å; P214-L375 HydrophobicContact CG-CD1 4.46Å; P214-L378 HydrophobicContact CB-CD2 3.93Å
215I94.7Very high85.7Confident53 Ų5375.2 Ų75.227%0.27238%0.381SS..BIsolated β-bridgetrans-110.8158.5176.966.3174000111.8I217 R306 K309 S310 E311I215-I217 HydrophobicContact CD1-CG2 4.23Å; I215-I217 HydrophobicContact CG1-CG2 4.24Å; I215-R306 HydrophobicContact CD1-CB 4.05Å; I215-R306 HydrophobicContact CD1-CG 3.98Å; I215-K309 HydrophobicContact CD1-CB 4.15Å; I215-K309 HydrophobicContact CD1-CD 4.27Å; I215-K309 HydrophobicContact CD1-CG 4.16Å; I215-K309 HydrophobicContact CG1-CB 4.13Å; I215-K309 HydrophobicContact CG1-CG 4.02Å; I215-K309 HydrophobicContact CG2-CD 4.34Å; I215-K309 HydrophobicContact CG2-CG 4.18Å; I215-K309 PolarHBondContact N-O 3.04Å; I215-S310 CarbonylContact O-C 3.5Å; I215-S310 WeakPolarHBondContact O-CA 3.44Å; I215-E311 PolarHBondContact O-N 3.05Å
216H94.9Very high87.9Confident154 Ų15470.8 Ų70.871%0.71336%0.358SS*.  trans-82.1144.2167.5-170.473.3000111.1E311H216-E311 IonicContact ND1-OE2 3.28Å
217I95.6Very high89.9Confident10 Ų1069.7 Ų69.75%0.05135%0.353CS..  trans-138.1161.4173.164.4171.4000110.1I215 L221 V222 R306 L307 S310 A312I215-I217 HydrophobicContact CD1-CG2 4.23Å; I215-I217 HydrophobicContact CG1-CG2 4.24Å; I217-L221 HydrophobicContact CB-CD2 4.26Å; I217-L221 HydrophobicContact CD1-CB 4.49Å; I217-L221 HydrophobicContact CD1-CD2 4.05Å; I217-L221 HydrophobicContact CG2-CD2 4.42Å; I217-V222 HydrophobicContact CD1-CG2 3.79Å; I217-V222 HydrophobicContact CG1-CG2 4.47Å; I217-R306 HydrophobicContact CG2-CB 4.28Å; I217-L307 HydrophobicContact CD1-CD1 3.68Å; I217-S310 VanDerWaalsContact CD1-OG 3.27Å; I217-S310 WeakPolarHBondContact CD1-OG 3.47Å; I217-A312 HydrophobicContact CD1-CB 4.26Å; I217-A312 HydrophobicContact CG1-CB 4.25Å
218E94.7Very high91.8Very high119 Ų11968 Ų6856%0.55634%0.342SS*.  trans-69.3137.4174.3-52.284.6175.100111.5E220 L221 R306E218-E220 PolarHBondContact O-N 3.21Å; E218-L221 VanDerWaalsContact O-CB 3.25Å; E218-L221 WeakPolarHBondContact O-CB 3.38Å; E218-L221 PolarHBondContact O-N 3.41Å; E218-R306 IonicContact OE2-NH1 3.63Å
219E92.5Very high93.3Very high133 Ų13367.9 Ų67.962%0.62134%0.335SS*.Hα-helixtrans-57.2-35.5178.8-174.9-179.4-170.300112.7L221 V222 Y223E219-L221 PolarHBondContact O-N 3.28Å; E219-V222 WeakPolarHBondContact O-CB 3.26Å; E219-V222 PolarHBondContact O-N 3.4Å; E219-Y223 HydrophobicContact CG-CD2 3.93Å; E219-Y223 HydrophobicContact CG-CE2 3.48Å; E219-Y223 VanDerWaalsContact CG-CE2 3.48Å; E219-Y223 PolarHBondContact O-N 2.91Å; E219-Y223 WeakPolarHBondContact OE1-CE2 3.26Å; E219-Y223 PolarHBondContact OE1-OH 2.83Å
220E95.5Very high94.4Very high145 Ų14565.9 Ų65.968%0.67832%0.324SS*.Hα-helixtrans-55-35.8175.4-172.270.5-16900111.9E218 V222 Y223 Q224E218-E220 PolarHBondContact O-N 3.21Å; E220-V222 VanDerWaalsContact C-N 3.34Å; E220-V222 PolarHBondContact O-N 3.44Å; E220-Y223 PolarHBondContact O-N 3.34Å; E220-Q224 VanDerWaalsContact O-CB 3.23Å; E220-Q224 WeakPolarHBondContact O-CB 3.47Å; E220-Q224 PolarHBondContact O-N 3.29Å
221L96.1Very high95Very high10 Ų1061.4 Ų61.45%0.05230%0.302CS..Hα-helixtrans-64.5-41179.3-170.667.6000110.9I217 E218 E219 Q224 W225 Q303I217-L221 HydrophobicContact CB-CD2 4.26Å; I217-L221 HydrophobicContact CD1-CB 4.49Å; I217-L221 HydrophobicContact CD1-CD2 4.05Å; I217-L221 HydrophobicContact CG2-CD2 4.42Å; E218-L221 VanDerWaalsContact O-CB 3.25Å; E218-L221 WeakPolarHBondContact O-CB 3.38Å; E218-L221 PolarHBondContact O-N 3.41Å; E219-L221 PolarHBondContact O-N 3.28Å; L221-Q224 PolarHBondContact O-N 2.93Å; L221-W225 VanDerWaalsContact O-CD1 3.22Å; L221-W225 PolarHBondContact O-N 3.2Å; L221-Q303 HydrophobicContact CD1-CB 4.05Å; L221-Q303 HydrophobicContact CD1-CG 3.87Å
222V96.9Very high95.3Very high10 Ų1060.6 Ų60.66%0.06130%0.302CS..Hα-helixtrans-60.3-51.6177.7178.70000110.2I217 E219 E220 Q224 W225 I226 F231 L307 A312 I316I217-V222 HydrophobicContact CD1-CG2 3.79Å; I217-V222 HydrophobicContact CG1-CG2 4.47Å; E219-V222 WeakPolarHBondContact O-CB 3.26Å; E219-V222 PolarHBondContact O-N 3.4Å; E220-V222 VanDerWaalsContact C-N 3.34Å; E220-V222 PolarHBondContact O-N 3.44Å; V222-Q224 VanDerWaalsContact C-N 3.29Å; V222-Q224 PolarHBondContact O-N 3.2Å; V222-W225 PolarHBondContact O-N 3.12Å; V222-I226 HydrophobicContact CG1-CD1 4.13Å; V222-I226 PolarHBondContact O-N 3.08Å; V222-F231 HydrophobicContact CG1-CE1 4.09Å; V222-F231 HydrophobicContact CG1-CZ 3.85Å; V222-L307 HydrophobicContact CG2-CD1 4.02Å; V222-A312 HydrophobicContact CG2-CB 3.67Å; V222-I316 HydrophobicContact CG1-CD1 3.6Å
223Y96.7Very high95.3Very high112 Ų11264.2 Ų64.244%0.43933%0.325SS..Hα-helixtrans-69.1-27.2179.5-67.6-54.1000113E219 E220 W225 F231 K256E219-Y223 HydrophobicContact CG-CD2 3.93Å; E219-Y223 HydrophobicContact CG-CE2 3.48Å; E219-Y223 VanDerWaalsContact CG-CE2 3.48Å; E219-Y223 PolarHBondContact O-N 2.91Å; E219-Y223 WeakPolarHBondContact OE1-CE2 3.26Å; E219-Y223 PolarHBondContact OE1-OH 2.83Å; E220-Y223 PolarHBondContact O-N 3.34Å; Y223-W225 VanDerWaalsContact C-N 3.34Å; Y223-F231 HydrophobicContact CD1-CD2 4.15Å; Y223-F231 AromaticContact CD1-CE2 3.69Å; Y223-F231 HydrophobicContact CD1-CE2 3.69Å; Y223-F231 HydrophobicContact CD1-CZ 4.08Å; Y223-F231 HydrophobicContact CE1-CD2 4.08Å; Y223-F231 AromaticContact CE1-CE2 3.97Å; Y223-F231 HydrophobicContact CE1-CE2 3.97Å; Y223-F231 HydrophobicContact CE1-CG 4.49Å; Y223-F231 HydrophobicContact CE1-CZ 4.23Å; Y223-K256 WeakPolarHBondContact O-CE 3.32Å; Y223-K256 PolarHBondContact O-NZ 3.25Å
224Q96.6Very high95.3Very high66 Ų6666.2 Ų66.231%0.30833%0.326SS..Hα-helixtrans-65.8-39175-175.3178.926.200111.4E220 L221 V222 K256 K259E220-Q224 VanDerWaalsContact O-CB 3.23Å; E220-Q224 WeakPolarHBondContact O-CB 3.47Å; E220-Q224 PolarHBondContact O-N 3.29Å; L221-Q224 PolarHBondContact O-N 2.93Å; V222-Q224 VanDerWaalsContact C-N 3.29Å; V222-Q224 PolarHBondContact O-N 3.2Å; Q224-K256 WeakPolarHBondContact O-CD 3.3Å; Q224-K259 HydrophobicContact CG-CD 4.09Å; Q224-K259 HydrophobicContact CG-CG 4.43Å; Q224-K259 WeakPolarHBondContact O-CG 3.38Å
225W98.2Very high95.2Very high0 Ų068.5 Ų68.50%034%0.336CS..Hα-helixtrans-98.1-43.5-169.4-77.988.2000114.7L221 V222 Y223 I255 K256 K259 L263 L300 Q303 I304 L307L221-W225 VanDerWaalsContact O-CD1 3.22Å; L221-W225 PolarHBondContact O-N 3.2Å; V222-W225 PolarHBondContact O-N 3.12Å; Y223-W225 VanDerWaalsContact C-N 3.34Å; W225-I255 HydrophobicContact CE3-CD1 4.43Å; W225-I255 HydrophobicContact CE3-CG2 3.7Å; W225-I255 HydrophobicContact CZ3-CG2 4.18Å; W225-I255 CarbonylContact O-C 3.48Å; W225-I255 WeakPolarHBondContact O-CA 3.43Å; W225-K256 PolarHBondContact O-N 3.49Å; W225-K259 HydrophobicContact CD2-CB 4.47Å; W225-K259 HydrophobicContact CE3-CB 4.03Å; W225-K259 HydrophobicContact CZ3-CB 4.23Å; W225-L263 HydrophobicContact CH2-CB 4.19Å; W225-L263 HydrophobicContact CH2-CD1 4.21Å; W225-L263 HydrophobicContact CZ3-CB 4.08Å; W225-L263 HydrophobicContact CZ3-CD2 4Å; W225-L263 HydrophobicContact CZ3-CG 4.41Å; W225-L300 HydrophobicContact CH2-CB 4.38Å; W225-L300 HydrophobicContact CH2-CD2 4.04Å; W225-L300 HydrophobicContact CZ2-CD2 3.82Å; W225-Q303 HydrophobicContact CZ2-CB 3.79Å; W225-Q303 VanDerWaalsContact NE1-OE1 3.09Å; W225-I304 HydrophobicContact CD2-CD1 4.3Å; W225-I304 HydrophobicContact CE3-CD1 3.73Å; W225-I304 HydrophobicContact CH2-CB 4.34Å; W225-I304 HydrophobicContact CZ3-CB 4.32Å; W225-I304 HydrophobicContact CZ3-CD1 4.03Å; W225-L307 HydrophobicContact CB-CD2 3.7Å; W225-L307 HydrophobicContact CG-CD2 4.23Å
226I98Very high95.1Very high0 Ų066.4 Ų66.40%033%0.325CS..BIsolated β-bridgetrans-85.1137.8-169.4-64.6175.9000111.2V222 Y230 F231 F254 K256 L307 M313 I316V222-I226 HydrophobicContact CG1-CD1 4.13Å; V222-I226 PolarHBondContact O-N 3.08Å; I226-Y230 HydrophobicContact CG2-CD2 4.41Å; I226-F231 HydrophobicContact CB-CE2 4.22Å; I226-F231 HydrophobicContact CB-CZ 3.68Å; I226-F231 HydrophobicContact CG2-CE1 4.1Å; I226-F231 HydrophobicContact CG2-CE2 4.08Å; I226-F231 HydrophobicContact CG2-CZ 3.59Å; I226-F254 HydrophobicContact CD1-CE1 4.27Å; I226-F254 HydrophobicContact CD1-CZ 4.09Å; I226-F254 HydrophobicContact CG1-CE1 4.07Å; I226-F254 HydrophobicContact CG1-CZ 4.23Å; I226-F254 HydrophobicContact CG2-CE2 4.46Å; I226-F254 HydrophobicContact CG2-CZ 4.26Å; I226-K256 VanDerWaalsContact O-CE 3.23Å; I226-K256 WeakPolarHBondContact O-CE 3.4Å; I226-K256 WeakPolarHBondContact O-CG 3.37Å; I226-L307 HydrophobicContact CD1-CD1 4.46Å; I226-L307 HydrophobicContact CD1-CD2 4.33Å; I226-L307 HydrophobicContact CG1-CD2 4.14Å; I226-M313 HydrophobicContact CD1-SD 4.4Å; I226-I316 HydrophobicContact CD1-CD1 3.44Å; I226-I316 VanDerWaalsContact CD1-CD1 3.44Å
227N97.6Very high95Very high39 Ų3961.3 Ų61.321%0.20931%0.307CS..  trans-62.3126.4177-176.4-21.9000110.8I229 Y230 N253 F254N227-I229 HydrophobicContact CB-CG2 4.26Å; N227-I229 PolarHBondContact O-N 3.36Å; N227-I229 WeakPolarHBondContact OD1-CG2 3.46Å; N227-I229 PolarHBondContact OD1-N 2.66Å; N227-Y230 HydrophobicContact CB-CD2 3.88Å; N227-Y230 HydrophobicContact CB-CE2 4Å; N227-Y230 WeakPolarHBondContact O-CD2 3.45Å; N227-Y230 PolarHBondContact O-N 2.82Å; N227-N253 WeakPolarHBondContact CB-O 3.05Å; N227-N253 PolarHBondContact ND2-O 3.26Å; N227-F254 WeakPolarHBondContact CB-O 3.46Å; N227-F254 PolarHBondContact N-O 2.94Å
228P96.5Very high95Very high74 Ų7465 Ų6548%0.48132%0.322SS..G310 helixtrans-58.5-19.4-173.6-26.835.6000115.7Y230 F231P228-Y230 PolarHBondContact O-N 3.3Å; P228-F231 HydrophobicContact CB-CD2 4.46Å; P228-F231 PolarHBondContact O-N 3.45Å
229I95.3Very high95Very high77 Ų7760.4 Ų60.440%0.39530%0.301SS..G310 helixtrans-58.5-27.3174-161.5170.5000112.6N227 F231 D232 Q235N227-I229 HydrophobicContact CB-CG2 4.26Å; N227-I229 PolarHBondContact O-N 3.36Å; N227-I229 WeakPolarHBondContact OD1-CG2 3.46Å; N227-I229 PolarHBondContact OD1-N 2.66Å; I229-F231 PolarHBondContact O-N 2.76Å; I229-D232 PolarHBondContact O-N 3.41Å; I229-Q235 HydrophobicContact CD1-CG 4.48Å; I229-Q235 HydrophobicContact CG1-CB 4.45Å; I229-Q235 HydrophobicContact CG1-CG 3.86Å
230Y95.7Very high95.1Very high16 Ų1656 Ų566%0.06328%0.279CS..G310 helixtrans-857.1177.9-59.8-64.2000113.6I226 N227 P228 L236 I239 L251 T252 F254I226-Y230 HydrophobicContact CG2-CD2 4.41Å; N227-Y230 HydrophobicContact CB-CD2 3.88Å; N227-Y230 HydrophobicContact CB-CE2 4Å; N227-Y230 WeakPolarHBondContact O-CD2 3.45Å; N227-Y230 PolarHBondContact O-N 2.82Å; P228-Y230 PolarHBondContact O-N 3.3Å; Y230-L236 WeakPolarHBondContact O-CD2 3.29Å; Y230-I239 HydrophobicContact CD1-CD1 3.87Å; Y230-I239 HydrophobicContact CE1-CD1 3.85Å; Y230-L251 HydrophobicContact CD1-CD1 4.25Å; Y230-L251 HydrophobicContact CE1-CB 3.84Å; Y230-L251 HydrophobicContact CE1-CD1 4Å; Y230-L251 HydrophobicContact CE1-CD2 4.04Å; Y230-L251 HydrophobicContact CE1-CG 4.18Å; Y230-T252 PolarHBondContact OH-N 3.47Å; Y230-T252 PolarHBondContact OH-O 3.35Å; Y230-F254 AromaticContact CD2-CD2 3.74Å; Y230-F254 HydrophobicContact CD2-CD2 3.74Å; Y230-F254 HydrophobicContact CD2-CE2 4.08Å; Y230-F254 HydrophobicContact CE2-CB 4.4Å; Y230-F254 AromaticContact CE2-CD2 3.79Å; Y230-F254 HydrophobicContact CE2-CD2 3.79Å; Y230-F254 HydrophobicContact CE2-CG 4.48Å; Y230-F254 HydrophobicContact CG-CD2 4.18Å; Y230-F254 HydrophobicContact CG-CE2 4.16Å
231F93.4Very high95.1Very high62 Ų6255.3 Ų55.327%0.27227%0.27SS..G310 helixtrans-109.5-8.2166.6-52.6-53.9000112.3V222 Y223 I226 P228 I229 T233 I316V222-F231 HydrophobicContact CG1-CE1 4.09Å; V222-F231 HydrophobicContact CG1-CZ 3.85Å; Y223-F231 HydrophobicContact CD1-CD2 4.15Å; Y223-F231 AromaticContact CD1-CE2 3.69Å; Y223-F231 HydrophobicContact CD1-CE2 3.69Å; Y223-F231 HydrophobicContact CD1-CZ 4.08Å; Y223-F231 HydrophobicContact CE1-CD2 4.08Å; Y223-F231 AromaticContact CE1-CE2 3.97Å; Y223-F231 HydrophobicContact CE1-CE2 3.97Å; Y223-F231 HydrophobicContact CE1-CG 4.49Å; Y223-F231 HydrophobicContact CE1-CZ 4.23Å; I226-F231 HydrophobicContact CB-CE2 4.22Å; I226-F231 HydrophobicContact CB-CZ 3.68Å; I226-F231 HydrophobicContact CG2-CE1 4.1Å; I226-F231 HydrophobicContact CG2-CE2 4.08Å; I226-F231 HydrophobicContact CG2-CZ 3.59Å; P228-F231 HydrophobicContact CB-CD2 4.46Å; P228-F231 PolarHBondContact O-N 3.45Å; I229-F231 PolarHBondContact O-N 2.76Å; F231-T233 PolarHBondContact O-N 3.01Å; F231-I316 HydrophobicContact CE1-CD1 4.07Å; F231-I316 HydrophobicContact CE1-CG1 4.4Å
232D93.8Very high95Very high73 Ų7361.1 Ų61.139%0.3929%0.292SS..  trans-73121.9178.118082.8000110.9I229 E234 Q235 L236I229-D232 PolarHBondContact O-N 3.41Å; D232-E234 VanDerWaalsContact C-N 3.29Å; D232-E234 PolarHBondContact O-N 3.14Å; D232-E234 WeakPolarHBondContact OD2-CA 3.16Å; D232-E234 WeakPolarHBondContact OD2-CB 3.14Å; D232-E234 PolarHBondContact OD2-N 3.12Å; D232-Q235 HydrophobicContact CB-CB 4.12Å; D232-Q235 HydrophobicContact CB-CG 3.96Å; D232-Q235 PolarHBondContact O-N 2.62Å; D232-Q235 WeakPolarHBondContact OD2-CG 3.49Å; D232-Q235 PolarHBondContact OD2-N 3.18Å; D232-L236 WeakPolarHBondContact O-CB 3.21Å; D232-L236 WeakPolarHBondContact O-CG 3.35Å; D232-L236 PolarHBondContact O-N 2.97Å
233T91.3Very high95Very high104 Ų10461 Ų6164%0.63829%0.29SS*.Hα-helixtrans-62.2-34.8-174.8-47.70000112.8F231 S237F231-T233 PolarHBondContact O-N 3.01Å; T233-S237 WeakPolarHBondContact O-CB 3.36Å; T233-S237 PolarHBondContact O-N 2.84Å
234E92.4Very high94.9Very high118 Ų11859.8 Ų59.855%0.55130%0.297SS*.Hα-helixtrans-71.3-42.5179.4-163.8-165.2146.100111D232 S237 K238D232-E234 VanDerWaalsContact C-N 3.29Å; D232-E234 PolarHBondContact O-N 3.14Å; D232-E234 WeakPolarHBondContact OD2-CA 3.16Å; D232-E234 WeakPolarHBondContact OD2-CB 3.14Å; D232-E234 PolarHBondContact OD2-N 3.12Å; E234-S237 PolarHBondContact O-N 3.27Å; E234-K238 WeakPolarHBondContact O-CG 3.3Å; E234-K238 PolarHBondContact O-N 2.93Å; E234-K238 VanDerWaalsContact OE1-CE 3.31Å; E234-K238 WeakPolarHBondContact OE1-CE 3.38Å; E234-K238 IonicContact OE1-NZ 2.73Å; E234-K238 PolarHBondContact OE1-NZ 2.78Å
235Q93.2Very high94.7Very high64 Ų6466.8 Ų66.830%0.29932%0.321SS..Hα-helixtrans-63.3-48174.5-63.2-55.5-43.100111.2I229 D232 S237 K238 I239I229-Q235 HydrophobicContact CD1-CG 4.48Å; I229-Q235 HydrophobicContact CG1-CB 4.45Å; I229-Q235 HydrophobicContact CG1-CG 3.86Å; D232-Q235 HydrophobicContact CB-CB 4.12Å; D232-Q235 HydrophobicContact CB-CG 3.96Å; D232-Q235 PolarHBondContact O-N 2.62Å; D232-Q235 WeakPolarHBondContact OD2-CG 3.49Å; D232-Q235 PolarHBondContact OD2-N 3.18Å; Q235-S237 VanDerWaalsContact C-N 3.29Å; Q235-S237 PolarHBondContact O-N 2.9Å; Q235-K238 WeakPolarHBondContact O-CB 3.49Å; Q235-K238 PolarHBondContact O-N 2.83Å; Q235-I239 WeakPolarHBondContact O-CB 3.42Å; Q235-I239 VanDerWaalsContact O-CG1 3.3Å; Q235-I239 WeakPolarHBondContact O-CG1 3.19Å; Q235-I239 PolarHBondContact O-N 2.91Å
236L93.3Very high94.5Very high8 Ų869.1 Ų69.14%0.04234%0.337CS..Hα-helixtrans-58.1-41177.8-74.2177.5000111.9Y230 D232 K238 I239 R240 D319 I320Y230-L236 WeakPolarHBondContact O-CD2 3.29Å; D232-L236 WeakPolarHBondContact O-CB 3.21Å; D232-L236 WeakPolarHBondContact O-CG 3.35Å; D232-L236 PolarHBondContact O-N 2.97Å; L236-K238 VanDerWaalsContact C-N 3.31Å; L236-K238 PolarHBondContact O-N 3.04Å; L236-I239 PolarHBondContact O-N 3.08Å; L236-R240 VanDerWaalsContact O-CB 3.26Å; L236-R240 WeakPolarHBondContact O-CB 3.48Å; L236-R240 PolarHBondContact O-N 3.23Å; L236-D319 HydrophobicContact CD1-CB 4.34Å; L236-I320 HydrophobicContact CD2-CG1 3.55Å
237S92Very high94.3Very high48 Ų4871.6 Ų71.634%0.33635%0.354SS..Hα-helixtrans-59.8-38.8174.2174.50000113.2T233 E234 Q235 R241T233-S237 WeakPolarHBondContact O-CB 3.36Å; T233-S237 PolarHBondContact O-N 2.84Å; E234-S237 PolarHBondContact O-N 3.27Å; Q235-S237 VanDerWaalsContact C-N 3.29Å; Q235-S237 PolarHBondContact O-N 2.9Å; S237-R241 WeakPolarHBondContact O-CB 3.37Å; S237-R241 WeakPolarHBondContact O-CG 3.47Å; S237-R241 PolarHBondContact O-N 2.94Å; S237-R241 VanDerWaalsContact O-N 3.17Å; S237-R241 PolarHBondContact O-NE 2.76Å; S237-R241 PolarHBondContact OG-NH2 2.83Å; S237-R241 VanDerWaalsContact OG-NH2 3.16Å
238K94.6Very high94.3Very high87 Ų8772 Ų7238%0.37836%0.355SS..Hα-helixtrans-71.6-44.8178-69.1170.2-173164.50111.2E234 Q235 L236 R241 R242E234-K238 WeakPolarHBondContact O-CG 3.3Å; E234-K238 PolarHBondContact O-N 2.93Å; E234-K238 VanDerWaalsContact OE1-CE 3.31Å; E234-K238 WeakPolarHBondContact OE1-CE 3.38Å; E234-K238 IonicContact OE1-NZ 2.73Å; E234-K238 PolarHBondContact OE1-NZ 2.78Å; Q235-K238 WeakPolarHBondContact O-CB 3.49Å; Q235-K238 PolarHBondContact O-N 2.83Å; L236-K238 VanDerWaalsContact C-N 3.31Å; L236-K238 PolarHBondContact O-N 3.04Å; K238-R241 PolarHBondContact O-N 2.76Å; K238-R242 PolarHBondContact O-N 2.9Å; K238-R242 VanDerWaalsContact O-N 3.11Å
239I95.4Very high94.3Very high22 Ų2268.7 Ų68.711%0.11333%0.333CS..Hα-helixtrans-57.9-51.6176.7-71.4170.2000109.9Y230 Q235 L236 R241 R242 F243 I249 L251 I320Y230-I239 HydrophobicContact CD1-CD1 3.87Å; Y230-I239 HydrophobicContact CE1-CD1 3.85Å; Q235-I239 WeakPolarHBondContact O-CB 3.42Å; Q235-I239 VanDerWaalsContact O-CG1 3.3Å; Q235-I239 WeakPolarHBondContact O-CG1 3.19Å; Q235-I239 PolarHBondContact O-N 2.91Å; L236-I239 PolarHBondContact O-N 3.08Å; I239-R241 PolarHBondContact O-N 3.42Å; I239-R242 WeakPolarHBondContact O-CB 3.5Å; I239-R242 PolarHBondContact O-N 3.42Å; I239-R242 VanDerWaalsContact O-N 3.08Å; I239-F243 PolarHBondContact O-N 3.11Å; I239-I249 HydrophobicContact CB-CD1 4.36Å; I239-I249 HydrophobicContact CG2-CD1 3.75Å; I239-L251 HydrophobicContact CD1-CD2 4.23Å; I239-L251 HydrophobicContact CG1-CD2 4.39Å; I239-L251 HydrophobicContact CG2-CD2 3.92Å; I239-I320 HydrophobicContact CG2-CG2 3.79Å
240R95Very high94.4Very high41 Ų4167.7 Ų67.716%0.15533%0.327CS..Hα-helixtrans-57.8-47.7178.4-168.5-174.9-54.4157.61.7112.4L236 R242 F243 C244 D319 I320L236-R240 VanDerWaalsContact O-CB 3.26Å; L236-R240 WeakPolarHBondContact O-CB 3.48Å; L236-R240 PolarHBondContact O-N 3.23Å; R240-R242 PolarHBondContact O-N 3.11Å; R240-F243 PolarHBondContact O-N 3.05Å; R240-F243 VanDerWaalsContact O-N 3.13Å; R240-C244 PolarHBondContact O-N 2.86Å; R240-C244 PolarHBondContact O-SG 2.72Å; R240-D319 PolarHBondContact NE-O 3.46Å; R240-D319 PolarHBondContact NH2-O 3.35Å; R240-I320 WeakPolarHBondContact CA-O 3.47Å; R240-I320 WeakPolarHBondContact CB-O 3.03Å; R240-I320 PolarHBondContact N-O 2.91Å
241R94.4Very high94.5Very high131 Ų13167.3 Ų67.349%0.49433%0.326SS..Hα-helixtrans-58.8-34.8176.7-82.6-179.2-77.5167.3-12113.2S237 K238 I239 R245S237-R241 WeakPolarHBondContact O-CB 3.37Å; S237-R241 WeakPolarHBondContact O-CG 3.47Å; S237-R241 PolarHBondContact O-N 2.94Å; S237-R241 VanDerWaalsContact O-N 3.17Å; S237-R241 PolarHBondContact O-NE 2.76Å; S237-R241 PolarHBondContact OG-NH2 2.83Å; S237-R241 VanDerWaalsContact OG-NH2 3.16Å; K238-R241 PolarHBondContact O-N 2.76Å; I239-R241 PolarHBondContact O-N 3.42Å; R241-R245 WeakPolarHBondContact O-CD 3.43Å; R241-R245 WeakPolarHBondContact O-CG 3.46Å
242R95.3Very high94.6Very high132 Ų13267.9 Ų67.950%0.49834%0.335SS..Hα-helixtrans-69.9-50.4173.9176.5177.5163.6176.3-4110.1K238 I239 R240 C244 R245 S246 E248 I249K238-R242 PolarHBondContact O-N 2.9Å; K238-R242 VanDerWaalsContact O-N 3.11Å; I239-R242 WeakPolarHBondContact O-CB 3.5Å; I239-R242 PolarHBondContact O-N 3.42Å; I239-R242 VanDerWaalsContact O-N 3.08Å; R240-R242 PolarHBondContact O-N 3.11Å; R242-C244 PolarHBondContact O-N 3.13Å; R242-R245 WeakPolarHBondContact O-CB 3.43Å; R242-R245 PolarHBondContact O-N 3.12Å; R242-S246 PolarHBondContact O-N 2.79Å; R242-S246 PolarHBondContact O-OG 3.24Å; R242-S246 VanDerWaalsContact O-OG 3.12Å; R242-E248 IonicContact NH2-OE1 2.76Å; R242-I249 HydrophobicContact CB-CD1 4.14Å; R242-I249 HydrophobicContact CG-CD1 4.08Å
243F96.7Very high94.7Very high6 Ų668.3 Ų68.33%0.02634%0.337CS..Hα-helixtrans-56.6-46.2179.9-169.9-94.6000112.5I239 R240 R245 S246 S247 I249 T321 I323 L406 L465I239-F243 PolarHBondContact O-N 3.11Å; R240-F243 PolarHBondContact O-N 3.05Å; R240-F243 VanDerWaalsContact O-N 3.13Å; F243-R245 PolarHBondContact O-N 3.02Å; F243-S246 PolarHBondContact O-N 3.39Å; F243-S247 WeakPolarHBondContact O-CA 3.16Å; F243-S247 PolarHBondContact O-N 3.24Å; F243-I249 HydrophobicContact CD2-CB 3.92Å; F243-I249 HydrophobicContact CD2-CG2 3.59Å; F243-I249 HydrophobicContact CE2-CG2 4.22Å; F243-T321 HydrophobicContact CD1-CG2 3.99Å; F243-T321 WeakPolarHBondContact CD1-O 3.34Å; F243-T321 HydrophobicContact CD2-CG2 4.36Å; F243-T321 HydrophobicContact CE1-CG2 3.71Å; F243-T321 HydrophobicContact CE2-CG2 4.09Å; F243-T321 HydrophobicContact CG-CG2 4.29Å; F243-T321 HydrophobicContact CZ-CG2 3.73Å; F243-I323 HydrophobicContact CE1-CD1 3.88Å; F243-I323 HydrophobicContact CZ-CD1 4.37Å; F243-L406 HydrophobicContact CE1-CD1 4.45Å; F243-L406 HydrophobicContact CE2-CD1 4.26Å; F243-L406 HydrophobicContact CZ-CD1 3.58Å; F243-L465 HydrophobicContact CE2-CB 3.92Å
244C93.4Very high95Very high87 Ų8763.4 Ų63.459%0.58831%0.306SS*.Hα-helixtrans-59.2-21.8177.6-62.30000114.1R240 R242R240-C244 PolarHBondContact O-N 2.86Å; R240-C244 PolarHBondContact O-SG 2.72Å; R242-C244 PolarHBondContact O-N 3.13Å
245R93Very high95.3Very high214 Ų21457.8 Ų57.881%0.80828%0.28SS*.Hα-helixtrans-89.7-35.8-179.9-70.4171.9178.5166.1-1.5113R241 R242 F243R241-R245 WeakPolarHBondContact O-CD 3.43Å; R241-R245 WeakPolarHBondContact O-CG 3.46Å; R242-R245 WeakPolarHBondContact O-CB 3.43Å; R242-R245 PolarHBondContact O-N 3.12Å; F243-R245 PolarHBondContact O-N 3.02Å
246S93.5Very high95.5Very high48 Ų4857.5 Ų57.534%0.33628%0.278SS..Hα-helixtrans-109-14.7-17252.90000114R242 F243 E248R242-S246 PolarHBondContact O-N 2.79Å; R242-S246 PolarHBondContact O-OG 3.24Å; R242-S246 VanDerWaalsContact O-OG 3.12Å; F243-S246 PolarHBondContact O-N 3.39Å; S246-E248 PolarHBondContact O-N 3.25Å; S246-E248 VanDerWaalsContact O-N 3.11Å; S246-E248 PolarHBondContact OG-O 3.19Å
247S95.6Very high95.7Very high53 Ų5360.9 Ų60.937%0.37130%0.299SS..SBendtrans56.116.8-169.5-59.30000113.7F243 V466 Y467F243-S247 WeakPolarHBondContact O-CA 3.16Å; F243-S247 PolarHBondContact O-N 3.24Å; S247-V466 WeakPolarHBondContact O-CA 3.4Å; S247-Y467 PolarHBondContact O-N 2.85Å
248E96.6Very high95.9Very high47 Ų4762.8 Ų62.822%0.2231%0.306CS..EExtended strand (participates in β ladder)trans-143.4149176.269.473.3-151.500110.3R242 S246 L454 L465 V466R242-E248 IonicContact NH2-OE1 2.76Å; S246-E248 PolarHBondContact O-N 3.25Å; S246-E248 VanDerWaalsContact O-N 3.11Å; S246-E248 PolarHBondContact OG-O 3.19Å; E248-L454 HydrophobicContact CB-CD2 3.84Å; E248-L454 HydrophobicContact CG-CD1 4.41Å; E248-L454 HydrophobicContact CG-CD2 4.14Å; E248-L465 CarbonylContact C-O 3.56Å; E248-L465 VanDerWaalsContact CA-O 3.26Å; E248-L465 WeakPolarHBondContact CA-O 3.39Å; E248-V466 HydrophobicContact CB-CG2 4.31Å
249I97.1Very high96Very high4 Ų459.8 Ų59.82%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-154.9148.1164.6-162155.7000111.4I239 R242 F243 L251 T464 L465I239-I249 HydrophobicContact CB-CD1 4.36Å; I239-I249 HydrophobicContact CG2-CD1 3.75Å; R242-I249 HydrophobicContact CB-CD1 4.14Å; R242-I249 HydrophobicContact CG-CD1 4.08Å; F243-I249 HydrophobicContact CD2-CB 3.92Å; F243-I249 HydrophobicContact CD2-CG2 3.59Å; F243-I249 HydrophobicContact CE2-CG2 4.22Å; I249-L251 HydrophobicContact CD1-CD2 3.94Å; I249-L251 HydrophobicContact CG1-CD2 3.79Å; I249-L251 HydrophobicContact CG2-CD2 4.07Å; I249-L251 HydrophobicContact CG2-CG 4.21Å; I249-T464 CarbonylContact O-C 3.57Å; I249-T464 WeakPolarHBondContact O-CA 3.36Å; I249-L465 HydrophobicContact CG2-CB 4.07Å; I249-L465 HydrophobicContact CG2-CD1 4.17Å; I249-L465 HydrophobicContact CG2-CG 4.42Å; I249-L465 PolarHBondContact N-O 3.44Å; I249-L465 PolarHBondContact O-N 2.87Å
250Q96.5Very high96.1Very high57 Ų5761.4 Ų61.427%0.26630%0.297SS..EExtended strand (participates in β ladder)trans-115.4121.2168.5-174.7175.583.200110.3T457 A462 L463 T464Q250-T457 PolarHBondContact NE2-O 2.62Å; Q250-A462 HydrophobicContact CG-CB 3.75Å; Q250-L463 WeakPolarHBondContact CA-O 3.28Å; Q250-T464 PolarHBondContact NE2-OG1 3.14Å; Q250-T464 VanDerWaalsContact NE2-OG1 3.14Å
251L97.2Very high96.2Very high7 Ų763 Ų634%0.03731%0.308CS..EExtended strand (participates in β ladder)trans-105.8104.5-176.1-54-178.5000109.7Y230 I239 I249 F254 I320 A462 L463 L465Y230-L251 HydrophobicContact CD1-CD1 4.25Å; Y230-L251 HydrophobicContact CE1-CB 3.84Å; Y230-L251 HydrophobicContact CE1-CD1 4Å; Y230-L251 HydrophobicContact CE1-CD2 4.04Å; Y230-L251 HydrophobicContact CE1-CG 4.18Å; I239-L251 HydrophobicContact CD1-CD2 4.23Å; I239-L251 HydrophobicContact CG1-CD2 4.39Å; I239-L251 HydrophobicContact CG2-CD2 3.92Å; I249-L251 HydrophobicContact CD1-CD2 3.94Å; I249-L251 HydrophobicContact CG1-CD2 3.79Å; I249-L251 HydrophobicContact CG2-CD2 4.07Å; I249-L251 HydrophobicContact CG2-CG 4.21Å; L251-F254 HydrophobicContact CB-CD2 4.26Å; L251-F254 HydrophobicContact CD1-CD2 4.26Å; L251-F254 HydrophobicContact CD1-CE2 4.32Å; L251-I320 HydrophobicContact CD1-CD1 3.94Å; L251-I320 HydrophobicContact CD1-CG2 4.06Å; L251-A462 CarbonylContact O-C 3.55Å; L251-A462 VanDerWaalsContact O-CA 3.29Å; L251-A462 WeakPolarHBondContact O-CA 3.4Å; L251-L463 HydrophobicContact CB-CB 4.28Å; L251-L463 HydrophobicContact CD1-CD2 4.43Å; L251-L463 PolarHBondContact N-O 3.34Å; L251-L463 PolarHBondContact O-N 2.94Å; L251-L465 HydrophobicContact CD1-CD1 4.36Å
252T95.7Very high96.4Very high75 Ų7560.4 Ų60.446%0.4630%0.302SS..EExtended strand (participates in β ladder)trans-81.2146.5-176.258.20000113.2Y230 F254Y230-T252 PolarHBondContact OH-N 3.47Å; Y230-T252 PolarHBondContact OH-O 3.35Å; T252-F254 VanDerWaalsContact C-N 3.3Å
253N96.3Very high96.5Very high82 Ų8254.1 Ų54.144%0.43928%0.278SS..THydrogen-bonded Turntrans56.444.4-173.6-58.9-49.9000112.2N227 N461N227-N253 WeakPolarHBondContact CB-O 3.05Å; N227-N253 PolarHBondContact ND2-O 3.26Å; N253-N461 WeakPolarHBondContact CA-O 3.45Å; N253-N461 PolarHBondContact N-O 3.44Å
254F97.9Very high96.4Very high0 Ų054.5 Ų54.50%028%0.281CS..  trans-64.7-45-177.3-172.4-101.5000112I226 N227 Y230 L251 T252 F308 M313 I320 L410 N461 L463I226-F254 HydrophobicContact CD1-CE1 4.27Å; I226-F254 HydrophobicContact CD1-CZ 4.09Å; I226-F254 HydrophobicContact CG1-CE1 4.07Å; I226-F254 HydrophobicContact CG1-CZ 4.23Å; I226-F254 HydrophobicContact CG2-CE2 4.46Å; I226-F254 HydrophobicContact CG2-CZ 4.26Å; N227-F254 WeakPolarHBondContact CB-O 3.46Å; N227-F254 PolarHBondContact N-O 2.94Å; Y230-F254 AromaticContact CD2-CD2 3.74Å; Y230-F254 HydrophobicContact CD2-CD2 3.74Å; Y230-F254 HydrophobicContact CD2-CE2 4.08Å; Y230-F254 HydrophobicContact CE2-CB 4.4Å; Y230-F254 AromaticContact CE2-CD2 3.79Å; Y230-F254 HydrophobicContact CE2-CD2 3.79Å; Y230-F254 HydrophobicContact CE2-CG 4.48Å; Y230-F254 HydrophobicContact CG-CD2 4.18Å; Y230-F254 HydrophobicContact CG-CE2 4.16Å; L251-F254 HydrophobicContact CB-CD2 4.26Å; L251-F254 HydrophobicContact CD1-CD2 4.26Å; L251-F254 HydrophobicContact CD1-CE2 4.32Å; T252-F254 VanDerWaalsContact C-N 3.3Å; F254-F308 HydrophobicContact CD1-CZ 4.45Å; F254-F308 HydrophobicContact CE1-CZ 4.11Å; F254-M313 HydrophobicContact CE1-CE 4.01Å; F254-M313 HydrophobicContact CZ-CE 4.03Å; F254-I320 HydrophobicContact CE2-CD1 4.32Å; F254-L410 HydrophobicContact CB-CD1 4.36Å; F254-L410 HydrophobicContact CD1-CD1 4.32Å; F254-N461 PolarHBondContact N-O 3.12Å; F254-L463 HydrophobicContact CB-CB 3.74Å; F254-L463 HydrophobicContact CD1-CB 3.98Å; F254-L463 HydrophobicContact CD1-CD2 3.92Å; F254-L463 HydrophobicContact CD1-CG 4.42Å; F254-L463 HydrophobicContact CD2-CB 3.84Å; F254-L463 HydrophobicContact CD2-CD2 3.68Å; F254-L463 HydrophobicContact CD2-CG 4.4Å; F254-L463 HydrophobicContact CE1-CD2 3.7Å; F254-L463 HydrophobicContact CE2-CB 4.49Å; F254-L463 HydrophobicContact CE2-CD2 3.45Å; F254-L463 VanDerWaalsContact CE2-CD2 3.45Å; F254-L463 HydrophobicContact CG-CB 3.56Å; F254-L463 HydrophobicContact CG-CD2 3.92Å; F254-L463 HydrophobicContact CG-CG 4.32Å; F254-L463 HydrophobicContact CZ-CD2 3.46Å; F254-L463 VanDerWaalsContact CZ-CD2 3.46Å
255I98.1Very high96.5Very high1 Ų156.8 Ų56.81%0.00528%0.283CS..BIsolated β-bridgetrans-85.2139.5172.2-55-57.3000109.2W225 T257 K259 W260 I304 L410 N461W225-I255 HydrophobicContact CE3-CD1 4.43Å; W225-I255 HydrophobicContact CE3-CG2 3.7Å; W225-I255 HydrophobicContact CZ3-CG2 4.18Å; W225-I255 CarbonylContact O-C 3.48Å; W225-I255 WeakPolarHBondContact O-CA 3.43Å; I255-T257 PolarHBondContact O-N 2.84Å; I255-K259 HydrophobicContact CG2-CB 3.96Å; I255-W260 HydrophobicContact CB-CB 4.28Å; I255-W260 HydrophobicContact CG2-CB 4.06Å; I255-I304 HydrophobicContact CD1-CD1 3.76Å; I255-I304 HydrophobicContact CG1-CD1 4.46Å; I255-L410 HydrophobicContact CD1-CD2 4.25Å; I255-L410 HydrophobicContact CG1-CD1 4.23Å; I255-L410 HydrophobicContact CG1-CD2 4Å; I255-N461 WeakPolarHBondContact CB-OD1 3.45Å; I255-N461 PolarHBondContact N-OD1 3.07Å; I255-N461 PolarHBondContact O-ND2 2.73Å
256K98.1Very high96.7Very high57 Ų5748 Ų4825%0.24825%0.254CS..  trans-53137.7173.7-68.8-173.5177.8175.20110.5Y223 Q224 W225 I226 D258 K259 W260Y223-K256 WeakPolarHBondContact O-CE 3.32Å; Y223-K256 PolarHBondContact O-NZ 3.25Å; Q224-K256 WeakPolarHBondContact O-CD 3.3Å; W225-K256 PolarHBondContact O-N 3.49Å; I226-K256 VanDerWaalsContact O-CE 3.23Å; I226-K256 WeakPolarHBondContact O-CE 3.4Å; I226-K256 WeakPolarHBondContact O-CG 3.37Å; K256-D258 VanDerWaalsContact C-N 3.3Å; K256-D258 VanDerWaalsContact CB-OD1 3.23Å; K256-D258 WeakPolarHBondContact CB-OD1 3.47Å; K256-D258 PolarHBondContact O-N 3.42Å; K256-K259 PolarHBondContact O-N 2.75Å; K256-K259 VanDerWaalsContact O-N 3.14Å; K256-W260 WeakPolarHBondContact O-CB 3.07Å; K256-W260 PolarHBondContact O-N 3.18Å
257T96.8Very high96.7Very high79 Ų7945.8 Ų45.849%0.48524%0.238SC..Hα-helixtrans-58.8-39-169.1-54.60000113.5I255 I261I255-T257 PolarHBondContact O-N 2.84Å; T257-I261 HydrophobicContact CG2-CD1 4.15Å; T257-I261 WeakPolarHBondContact O-CD1 3.46Å; T257-I261 VanDerWaalsContact O-CG1 3.24Å; T257-I261 WeakPolarHBondContact O-CG1 3.43Å; T257-I261 PolarHBondContact O-N 3.26Å
258D96.9Very high96.6Very high89 Ų8948.6 Ų48.648%0.47624%0.244SC..Hα-helixtrans-62.5-50.5175.457.8-33.7000111.8K256 W260 I261 E262K256-D258 VanDerWaalsContact C-N 3.3Å; K256-D258 VanDerWaalsContact CB-OD1 3.23Å; K256-D258 WeakPolarHBondContact CB-OD1 3.47Å; K256-D258 PolarHBondContact O-N 3.42Å; D258-W260 VanDerWaalsContact C-N 3.35Å; D258-W260 PolarHBondContact O-N 3.16Å; D258-I261 PolarHBondContact O-N 3.4Å; D258-E262 PolarHBondContact O-N 3.11Å; D258-E262 VanDerWaalsContact O-N 3.09Å
259K97.6Very high96.4Very high24 Ų2449.4 Ų49.410%0.10426%0.264CS..Hα-helixtrans-64.7-38.1176.9-73.9-72154-163.90113.1Q224 W225 I255 K256 E262 L263Q224-K259 HydrophobicContact CG-CD 4.09Å; Q224-K259 HydrophobicContact CG-CG 4.43Å; Q224-K259 WeakPolarHBondContact O-CG 3.38Å; W225-K259 HydrophobicContact CD2-CB 4.47Å; W225-K259 HydrophobicContact CE3-CB 4.03Å; W225-K259 HydrophobicContact CZ3-CB 4.23Å; I255-K259 HydrophobicContact CG2-CB 3.96Å; K256-K259 PolarHBondContact O-N 2.75Å; K256-K259 VanDerWaalsContact O-N 3.14Å; K259-E262 IonicContact NZ-OE1 2.85Å; K259-E262 IonicContact NZ-OE2 3.64Å; K259-E262 PolarHBondContact NZ-OE2 2.76Å; K259-E262 PolarHBondContact O-N 2.75Å; K259-L263 WeakPolarHBondContact O-CB 3.14Å; K259-L263 PolarHBondContact O-N 3.07Å
260W97.5Very high96.2Very high55 Ų5550.2 Ų50.221%0.20827%0.269CS..Hα-helixtrans-60.6-44.6174.7173.570.7000111.3I255 K256 D258 E262 L263 V264 I412 D460 N461I255-W260 HydrophobicContact CB-CB 4.28Å; I255-W260 HydrophobicContact CG2-CB 4.06Å; K256-W260 WeakPolarHBondContact O-CB 3.07Å; K256-W260 PolarHBondContact O-N 3.18Å; D258-W260 VanDerWaalsContact C-N 3.35Å; D258-W260 PolarHBondContact O-N 3.16Å; W260-E262 PolarHBondContact O-N 2.95Å; W260-L263 PolarHBondContact O-N 2.97Å; W260-V264 HydrophobicContact CD2-CG2 4.41Å; W260-V264 HydrophobicContact CZ2-CG2 4.28Å; W260-V264 VanDerWaalsContact O-CG2 3.28Å; W260-V264 WeakPolarHBondContact O-CG2 3.26Å; W260-V264 PolarHBondContact O-N 3.31Å; W260-I412 PolarHBondContact NE1-O 3.3Å; W260-D460 HydrophobicContact CZ2-CB 4.11Å; W260-N461 HydrophobicContact CD2-CB 4.1Å; W260-N461 HydrophobicContact CG-CB 4.02Å; W260-N461 HydrophobicContact CZ2-CB 4.5Å
261I96.9Very high95.9Very high75 Ų7550.7 Ų50.739%0.38528%0.278SS..Hα-helixtrans-61-45.5176.1-69.8163.9000111.1T257 D258 V264 Q265T257-I261 HydrophobicContact CG2-CD1 4.15Å; T257-I261 WeakPolarHBondContact O-CD1 3.46Å; T257-I261 VanDerWaalsContact O-CG1 3.24Å; T257-I261 WeakPolarHBondContact O-CG1 3.43Å; T257-I261 PolarHBondContact O-N 3.26Å; D258-I261 PolarHBondContact O-N 3.4Å; I261-V264 PolarHBondContact O-N 3.09Å; I261-Q265 VanDerWaalsContact O-CG 3.31Å; I261-Q265 WeakPolarHBondContact O-CG 3.34Å; I261-Q265 PolarHBondContact O-N 2.87Å
262E97.5Very high95.4Very high76 Ų7654.2 Ų54.236%0.35531%0.309SS..Hα-helixtrans-59.6-47.1176.4-70.8174.3-165.800111.7D258 K259 W260 V264 Q265 C266 L300D258-E262 PolarHBondContact O-N 3.11Å; D258-E262 VanDerWaalsContact O-N 3.09Å; K259-E262 IonicContact NZ-OE1 2.85Å; K259-E262 IonicContact NZ-OE2 3.64Å; K259-E262 PolarHBondContact NZ-OE2 2.76Å; K259-E262 PolarHBondContact O-N 2.75Å; W260-E262 PolarHBondContact O-N 2.95Å; E262-V264 PolarHBondContact O-N 3.29Å; E262-Q265 PolarHBondContact O-N 2.92Å; E262-C266 WeakPolarHBondContact O-CB 3.38Å; E262-C266 PolarHBondContact O-N 3.13Å; E262-L300 HydrophobicContact CB-CD1 4.01Å
263L97.2Very high95.1Very high1 Ų157.5 Ų57.51%0.00532%0.319CS..Hα-helixtrans-60.6-45.5178.318064.1000111.5W225 K259 W260 Q265 C266 I267 L300 I304 I412W225-L263 HydrophobicContact CH2-CB 4.19Å; W225-L263 HydrophobicContact CH2-CD1 4.21Å; W225-L263 HydrophobicContact CZ3-CB 4.08Å; W225-L263 HydrophobicContact CZ3-CD2 4Å; W225-L263 HydrophobicContact CZ3-CG 4.41Å; K259-L263 WeakPolarHBondContact O-CB 3.14Å; K259-L263 PolarHBondContact O-N 3.07Å; W260-L263 PolarHBondContact O-N 2.97Å; L263-Q265 PolarHBondContact O-N 3.4Å; L263-C266 WeakPolarHBondContact O-CB 3.38Å; L263-C266 PolarHBondContact O-N 3.4Å; L263-I267 HydrophobicContact CD1-CD1 3.69Å; L263-I267 HydrophobicContact CD1-CG1 4.03Å; L263-I267 HydrophobicContact CD2-CD1 4.33Å; L263-I267 HydrophobicContact CG-CD1 3.71Å; L263-I267 HydrophobicContact CG-CG1 4.36Å; L263-I267 WeakPolarHBondContact O-CB 3.24Å; L263-I267 WeakPolarHBondContact O-CG1 3.36Å; L263-I267 PolarHBondContact O-N 3.24Å; L263-L300 HydrophobicContact CD1-CB 4.5Å; L263-I304 HydrophobicContact CD1-CG2 4.17Å; L263-I304 HydrophobicContact CD2-CG1 4.4Å; L263-I412 HydrophobicContact CD2-CD1 4.19Å; L263-I412 HydrophobicContact CD2-CG1 4.36Å; L263-I412 HydrophobicContact CD2-CG2 3.92Å; L263-I412 HydrophobicContact CG-CG2 4.29Å
264V96.1Very high94.8Very high14 Ų1454.7 Ų54.79%0.08530%0.304CS..Hα-helixtrans-63.4-43.2178.9171.90000111.4W260 I261 E262 C266 K268 I412 H413W260-V264 HydrophobicContact CD2-CG2 4.41Å; W260-V264 HydrophobicContact CZ2-CG2 4.28Å; W260-V264 VanDerWaalsContact O-CG2 3.28Å; W260-V264 WeakPolarHBondContact O-CG2 3.26Å; W260-V264 PolarHBondContact O-N 3.31Å; I261-V264 PolarHBondContact O-N 3.09Å; E262-V264 PolarHBondContact O-N 3.29Å; V264-C266 VanDerWaalsContact C-N 3.33Å; V264-K268 HydrophobicContact CG1-CD 4.13Å; V264-K268 WeakPolarHBondContact O-CB 3.34Å; V264-K268 WeakPolarHBondContact O-CG 3.45Å; V264-K268 PolarHBondContact O-N 3.33Å; V264-K268 VanDerWaalsContact O-N 3.09Å; V264-I412 HydrophobicContact CG2-CG2 3.99Å; V264-H413 HydrophobicContact CG1-CB 4.2Å; V264-H413 HydrophobicContact CG2-CB 3.83Å
265Q95.4Very high94.5Very high135 Ų13555.5 Ų55.563%0.63131%0.307SS*.Hα-helixtrans-62.3-43175.9-72.6175.45.200111.3I261 E262 L263 G269I261-Q265 VanDerWaalsContact O-CG 3.31Å; I261-Q265 WeakPolarHBondContact O-CG 3.34Å; I261-Q265 PolarHBondContact O-N 2.87Å; E262-Q265 PolarHBondContact O-N 2.92Å; L263-Q265 PolarHBondContact O-N 3.4Å; Q265-G269 PolarHBondContact O-N 3.26Å
266C95.9Very high94.3Very high29 Ų2960.2 Ų60.220%0.19633%0.331CS..Hα-helixtrans-60.3-54.9176.7-177.90000111.6E262 L263 V264 K268 G269 I270 P298 L300E262-C266 WeakPolarHBondContact O-CB 3.38Å; E262-C266 PolarHBondContact O-N 3.13Å; L263-C266 WeakPolarHBondContact O-CB 3.38Å; L263-C266 PolarHBondContact O-N 3.4Å; V264-C266 VanDerWaalsContact C-N 3.33Å; C266-K268 PolarHBondContact O-N 2.67Å; C266-G269 WeakPolarHBondContact O-CA 3.3Å; C266-G269 PolarHBondContact O-N 2.82Å; C266-I270 WeakPolarHBondContact O-CG1 3.19Å; C266-I270 PolarHBondContact O-N 3.26Å; C266-P298 WeakPolarHBondContact SG-CB 3.23Å; C266-L300 HydrophobicContact CB-CB 4.43Å; C266-L300 HydrophobicContact CB-CD1 3.87Å
267I95Very high94Very high2 Ų261.9 Ų61.91%0.0134%0.34CS..Hα-helixtrans-59.9-43.1-176.7-71.9173.9000111.8L263 G269 I270 W275 L383 I412 F524L263-I267 HydrophobicContact CD1-CD1 3.69Å; L263-I267 HydrophobicContact CD1-CG1 4.03Å; L263-I267 HydrophobicContact CD2-CD1 4.33Å; L263-I267 HydrophobicContact CG-CD1 3.71Å; L263-I267 HydrophobicContact CG-CG1 4.36Å; L263-I267 WeakPolarHBondContact O-CB 3.24Å; L263-I267 WeakPolarHBondContact O-CG1 3.36Å; L263-I267 PolarHBondContact O-N 3.24Å; I267-G269 PolarHBondContact O-N 2.95Å; I267-I270 WeakPolarHBondContact O-CB 3.47Å; I267-I270 PolarHBondContact O-N 2.94Å; I267-W275 HydrophobicContact CG2-CH2 4.1Å; I267-W275 HydrophobicContact CG2-CZ2 4Å; I267-L383 HydrophobicContact CD1-CD1 4.16Å; I267-L383 HydrophobicContact CD1-CD2 4.23Å; I267-L383 HydrophobicContact CG1-CD2 4.43Å; I267-I412 HydrophobicContact CD1-CD1 3.98Å; I267-I412 HydrophobicContact CD1-CG2 4.1Å; I267-F524 HydrophobicContact CG2-CB 4.17Å; I267-F524 HydrophobicContact CG2-CD1 3.22Å; I267-F524 HydrophobicContact CG2-CD2 3.95Å; I267-F524 HydrophobicContact CG2-CE1 3.38Å; I267-F524 HydrophobicContact CG2-CE2 4.1Å; I267-F524 HydrophobicContact CG2-CG 3.51Å; I267-F524 HydrophobicContact CG2-CZ 3.82Å
268K92.7Very high93.8Very high112 Ų11259 Ų5949%0.48732%0.322SS..Hα-helixtrans-63.8-26.4176.5-74.6-177.5176.4-173.30113.4V264 C266 H413 F524V264-K268 HydrophobicContact CG1-CD 4.13Å; V264-K268 WeakPolarHBondContact O-CB 3.34Å; V264-K268 WeakPolarHBondContact O-CG 3.45Å; V264-K268 PolarHBondContact O-N 3.33Å; V264-K268 VanDerWaalsContact O-N 3.09Å; C266-K268 PolarHBondContact O-N 2.67Å; K268-H413 WeakPolarHBondContact CE-CD2 3.26Å; K268-H413 WeakPolarHBondContact CE-NE2 3.42Å; K268-H413 PolarHBondContact NZ-NE2 3.41Å; K268-F524 HydrophobicContact CG-CE2 4.26Å
269G92.2Very high93.5Very high63 Ų6356 Ų5665%0.64931%0.313SS*.THydrogen-bonded Turntrans-83.8-8.2177.600000114.5Q265 C266 I267 S271Q265-G269 PolarHBondContact O-N 3.26Å; C266-G269 WeakPolarHBondContact O-CA 3.3Å; C266-G269 PolarHBondContact O-N 2.82Å; I267-G269 PolarHBondContact O-N 2.95Å; G269-S271 PolarHBondContact O-N 3.17Å
270I92.7Very high93.3Very high22 Ų2256.1 Ų56.111%0.11332%0.316CS..SBendtrans-69.1129.3-178.8-61.9178.6000110.2C266 I267 N274 W275 L289 P298C266-I270 WeakPolarHBondContact O-CG1 3.19Å; C266-I270 PolarHBondContact O-N 3.26Å; I267-I270 WeakPolarHBondContact O-CB 3.47Å; I267-I270 PolarHBondContact O-N 2.94Å; I270-N274 HydrophobicContact CG2-CB 3.58Å; I270-W275 HydrophobicContact CB-CZ2 4.23Å; I270-W275 HydrophobicContact CD1-CZ2 4.08Å; I270-W275 HydrophobicContact CG2-CZ2 4.35Å; I270-L289 HydrophobicContact CD1-CD1 3.95Å; I270-L289 HydrophobicContact CD1-CD2 3.97Å; I270-L289 HydrophobicContact CG2-CD1 3.9Å; I270-P298 HydrophobicContact CD1-CG 3.91Å; I270-P298 HydrophobicContact CG1-CG 3.93Å
271S90.4Very high93.2Very high67 Ų6754 Ų5447%0.46931%0.309SS..  trans-65145.9178.4-67.80000112.1G269 Q273 N274G269-S271 PolarHBondContact O-N 3.17Å; S271-Q273 PolarHBondContact O-N 2.85Å; S271-Q273 VanDerWaalsContact O-N 3.12Å; S271-N274 WeakPolarHBondContact O-CB 3.45Å; S271-N274 PolarHBondContact O-N 3.42Å
272A87.6Confident93Very high81 Ų8152.5 Ų52.567%0.66930%0.302SS*.G310 helixtrans-54.7-34.9-176.200000113.8N274 W275A272-N274 PolarHBondContact O-N 3.39Å; A272-W275 WeakPolarHBondContact O-CB 3.41Å; A272-W275 PolarHBondContact O-N 3.38Å; A272-W275 VanDerWaalsContact O-N 3.09Å
273Q87.7Confident92.7Very high144 Ų14449.9 Ų49.967%0.67329%0.289SS*.G310 helixtrans-64.3-16.3179.669.7-159.529.600115.3S271 W275S271-Q273 PolarHBondContact O-N 2.85Å; S271-Q273 VanDerWaalsContact O-N 3.12Å; Q273-W275 VanDerWaalsContact C-N 3.34Å
274N90Very high92.6Very high23 Ų2353.2 Ų53.212%0.12330%0.301CS..G310 helixtrans-85.8-11.8176.6-68.375.9000112.5I270 S271 A272 L289I270-N274 HydrophobicContact CG2-CB 3.58Å; S271-N274 WeakPolarHBondContact O-CB 3.45Å; S271-N274 PolarHBondContact O-N 3.42Å; A272-N274 PolarHBondContact O-N 3.39Å; N274-L289 HydrophobicContact CB-CD1 3.97Å
275W92.4Very high92.6Very high16 Ų1654.6 Ų54.66%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-95.7106.4179-6498000108.9I267 I270 A272 Q273 H287 L289 L383 K385 F524I267-W275 HydrophobicContact CG2-CH2 4.1Å; I267-W275 HydrophobicContact CG2-CZ2 4Å; I270-W275 HydrophobicContact CB-CZ2 4.23Å; I270-W275 HydrophobicContact CD1-CZ2 4.08Å; I270-W275 HydrophobicContact CG2-CZ2 4.35Å; A272-W275 WeakPolarHBondContact O-CB 3.41Å; A272-W275 PolarHBondContact O-N 3.38Å; A272-W275 VanDerWaalsContact O-N 3.09Å; Q273-W275 VanDerWaalsContact C-N 3.34Å; W275-H287 HydrophobicContact CB-CB 3.93Å; W275-L289 HydrophobicContact CD2-CD1 4.48Å; W275-L289 HydrophobicContact CE3-CB 4.09Å; W275-L289 HydrophobicContact CH2-CB 4.25Å; W275-L289 HydrophobicContact CZ3-CB 3.79Å; W275-L383 HydrophobicContact CH2-CD2 4.44Å; W275-L383 HydrophobicContact CH2-CG 4.5Å; W275-K385 HydrophobicContact CD2-CB 3.85Å; W275-K385 HydrophobicContact CD2-CD 3.96Å; W275-K385 HydrophobicContact CE3-CB 3.43Å; W275-K385 VanDerWaalsContact CE3-CB 3.43Å; W275-K385 HydrophobicContact CE3-CD 4.42Å; W275-K385 HydrophobicContact CG-CD 4.13Å; W275-K385 HydrophobicContact CH2-CB 3.94Å; W275-K385 HydrophobicContact CZ2-CB 4.3Å; W275-K385 HydrophobicContact CZ3-CB 3.49Å; W275-K385 VanDerWaalsContact CZ3-CB 3.49Å; W275-F524 AromaticContact CH2-CD1 3.88Å; W275-F524 HydrophobicContact CH2-CD1 3.88Å; W275-F524 AromaticContact CH2-CE1 3.94Å; W275-F524 HydrophobicContact CH2-CE1 3.94Å; W275-F524 HydrophobicContact CZ2-CD1 4.21Å; W275-F524 AromaticContact CZ2-CE1 3.8Å; W275-F524 HydrophobicContact CZ2-CE1 3.8Å
276L92.8Very high92.6Very high101 Ų10149.4 Ų49.453%0.52928%0.283SS..EExtended strand (participates in β ladder)trans-79134.4177.2-176.166.7000109.5H287 C288 F290L276-H287 CarbonylContact O-C 3.58Å; L276-H287 WeakPolarHBondContact O-CA 3.32Å; L276-C288 PolarHBondContact N-O 2.88Å; L276-C288 PolarHBondContact O-N 2.9Å; L276-F290 HydrophobicContact CB-CB 4.45Å; L276-F290 HydrophobicContact CB-CD2 3.8Å; L276-F290 HydrophobicContact CB-CG 4.47Å; L276-F290 HydrophobicContact CD2-CD2 3.81Å; L276-F290 HydrophobicContact CD2-CE2 4.07Å; L276-F290 HydrophobicContact CD2-CG 4.21Å; L276-F290 HydrophobicContact CG-CD2 4.42Å
277H93.7Very high92.5Very high91 Ų9150.1 Ų50.142%0.42128%0.284SS..EExtended strand (participates in β ladder)trans-71.6128.2172.5179-101.9000110.5N285 H287H277-N285 PolarHBondContact NE2-OD1 2.96Å; H277-H287 AromaticContact CD2-NE2 3.96Å
278C92.6Very high92.5Very high18 Ų1850.1 Ų50.112%0.12228%0.284CS..EExtended strand (participates in β ladder)trans-102.6117.3179.4-63.10000109.7R284 Y286 C288C278-R284 HydrophobicContact CB-CG 4.47Å; C278-R284 CarbonylContact O-C 3.59Å; C278-Y286 HydrophobicContact CB-CD2 3.92Å; C278-Y286 HydrophobicContact CB-CE1 4.3Å; C278-Y286 HydrophobicContact CB-CE2 3.66Å; C278-Y286 HydrophobicContact CB-CG 4.33Å; C278-Y286 PolarHBondContact N-O 3.3Å; C278-Y286 PolarHBondContact O-N 2.79Å; C278-Y286 VanDerWaalsContact SG-CE2 3.59Å; C278-C288 VanDerWaalsContact SG-CB 3.55Å
279G89.9Confident92.6Very high26 Ų2645.2 Ų45.227%0.26826%0.263SS..  trans-122.6-161.317200000112.7R284G279-R284 WeakPolarHBondContact O-CD 3.18Å; G279-R284 WeakPolarHBondContact O-CG 3.44Å; G279-R284 PolarHBondContact O-NH1 3.48Å
280P93Very high92Very high28 Ų2846.4 Ų46.418%0.18225%0.25CS..  cis-72.7160.8-2.931-36.2000113.1F149 P150 N282 R283 R284F149-P280 HydrophobicContact CB-CB 4.31Å; F149-P280 HydrophobicContact CB-CG 4.44Å; F149-P280 HydrophobicContact CD2-CB 4.11Å; P150-P280 HydrophobicContact CG-CB 4.45Å; P150-P280 WeakPolarHBondContact O-CB 3.49Å; P280-N282 VanDerWaalsContact C-N 3.27Å; P280-N282 WeakPolarHBondContact CB-OD1 3.4Å; P280-N282 VanDerWaalsContact CG-OD1 3.26Å; P280-N282 WeakPolarHBondContact CG-OD1 3.11Å; P280-N282 PolarHBondContact O-N 3Å; P280-R283 HydrophobicContact CG-CB 4.34Å; P280-R283 HydrophobicContact CG-CG 4.37Å; P280-R283 PolarHBondContact O-N 2.91Å; P280-R284 CarbonylContact C-O 3.49Å; P280-R284 PolarHBondContact O-N 2.89Å; P280-R284 VanDerWaalsContact O-O 3.04Å
281P94.9Very high91Very high9 Ų950.3 Ų50.36%0.05827%0.271CS..THydrogen-bonded Turntrans-58-26.7-176.6-28.236.1000116.2C101 Y134 P150 T151 R283 Y391C101-P281 HydrophobicContact CB-CB 3.94Å; Y134-P281 HydrophobicContact CD1-CB 4.35Å; Y134-P281 HydrophobicContact CD1-CG 4.12Å; Y134-P281 HydrophobicContact CE1-CB 3.66Å; Y134-P281 HydrophobicContact CE1-CG 3.61Å; P150-P281 HydrophobicContact CG-CB 4.43Å; P150-P281 VanDerWaalsContact O-CD 3.25Å; P150-P281 WeakPolarHBondContact O-CD 3.15Å; T151-P281 WeakPolarHBondContact O-CG 3.32Å; P281-R283 PolarHBondContact O-N 3.21Å; P281-Y391 VanDerWaalsContact O-CE2 3.26Å; P281-Y391 WeakPolarHBondContact O-CE2 3.43Å; P281-Y391 PolarHBondContact O-OH 2.98Å
282N93.3Very high89.7Confident45 Ų4550.5 Ų50.524%0.24127%0.27CS..THydrogen-bonded Turntrans-77.45.9173.366.9-34.6000113.5C101 P150 F174 P280C101-N282 HydrophobicContact CB-CB 4.49Å; P150-N282 VanDerWaalsContact CD-CG 3.48Å; P150-N282 WeakPolarHBondContact CD-OD1 3.43Å; P150-N282 HydrophobicContact CG-CB 3.73Å; P150-N282 WeakPolarHBondContact CG-OD1 3.43Å; F174-N282 HydrophobicContact CD1-CB 4.48Å; F174-N282 HydrophobicContact CE1-CB 4.28Å; P280-N282 VanDerWaalsContact C-N 3.27Å; P280-N282 WeakPolarHBondContact CB-OD1 3.4Å; P280-N282 VanDerWaalsContact CG-OD1 3.26Å; P280-N282 WeakPolarHBondContact CG-OD1 3.11Å; P280-N282 PolarHBondContact O-N 3Å
283R92Very high88.6Confident21 Ų2155.2 Ų55.28%0.07928%0.284CS..THydrogen-bonded Turntrans-131.5-41.1176.6-75.5-170.2153.7-127.313.5113.2M206 P280 P281 T392 L393 S395 D398M206-R283 PolarHBondContact SD-NE 2.93Å; M206-R283 PolarHBondContact SD-NH2 3.15Å; P280-R283 HydrophobicContact CG-CB 4.34Å; P280-R283 HydrophobicContact CG-CG 4.37Å; P280-R283 PolarHBondContact O-N 2.91Å; P281-R283 PolarHBondContact O-N 3.21Å; R283-T392 CarbonylContact O-C 3.45Å; R283-T392 WeakPolarHBondContact O-CA 3.44Å; R283-L393 PolarHBondContact O-N 2.95Å; R283-S395 PolarHBondContact NH1-OG 2.84Å; R283-S395 PolarHBondContact NH2-OG 2.88Å; R283-D398 IonicContact NH1-OD1 3.95Å; R283-D398 PolarHBondContact NH1-OD1 3.39Å; R283-D398 IonicContact NH1-OD2 3.96Å
284R93.8Very high87.4Confident70 Ų7053.6 Ų53.626%0.26429%0.288SS..EExtended strand (participates in β ladder)trans-161.8153-174.259.2-171.281104.8-6.8111.7C278 G279 P280 Y286 Y391 T392C278-R284 HydrophobicContact CB-CG 4.47Å; C278-R284 CarbonylContact O-C 3.59Å; G279-R284 WeakPolarHBondContact O-CD 3.18Å; G279-R284 WeakPolarHBondContact O-CG 3.44Å; G279-R284 PolarHBondContact O-NH1 3.48Å; P280-R284 CarbonylContact C-O 3.49Å; P280-R284 PolarHBondContact O-N 2.89Å; P280-R284 VanDerWaalsContact O-O 3.04Å; R284-Y286 HydrophobicContact CB-CD1 4Å; R284-Y286 HydrophobicContact CB-CE1 3.69Å; R284-Y286 HydrophobicContact CG-CE1 4.18Å; R284-Y391 WeakPolarHBondContact CA-O 3.49Å; R284-T392 HydrophobicContact CB-CG2 4.08Å
285N95.6Very high86.2Confident43 Ų4355.1 Ų55.123%0.2330%0.296CS..EExtended strand (participates in β ladder)trans-146.796.7171.4-176.142.6000107.9H277 G389 S390 Y391H277-N285 PolarHBondContact NE2-OD1 2.96Å; N285-G389 PolarHBondContact ND2-O 2.8Å; N285-S390 CarbonylContact O-C 3.55Å; N285-S390 WeakPolarHBondContact O-CA 3.49Å; N285-S390 WeakPolarHBondContact O-CB 3.41Å; N285-Y391 HydrophobicContact CB-CD1 3.65Å; N285-Y391 HydrophobicContact CB-CD2 4.47Å; N285-Y391 HydrophobicContact CB-CE1 3.27Å; N285-Y391 HydrophobicContact CB-CE2 4.14Å; N285-Y391 HydrophobicContact CB-CG 4.25Å; N285-Y391 PolarHBondContact N-O 2.8Å; N285-Y391 PolarHBondContact O-N 3.04Å
286Y95.2Very high85.6Confident26 Ų2659.8 Ų59.810%0.10233%0.327CS..EExtended strand (participates in β ladder)trans-157.4179.3172.959.2-96.2000108.9C278 R284 C288 R384 L386 T392C278-Y286 HydrophobicContact CB-CD2 3.92Å; C278-Y286 HydrophobicContact CB-CE1 4.3Å; C278-Y286 HydrophobicContact CB-CE2 3.66Å; C278-Y286 HydrophobicContact CB-CG 4.33Å; C278-Y286 PolarHBondContact N-O 3.3Å; C278-Y286 PolarHBondContact O-N 2.79Å; C278-Y286 VanDerWaalsContact SG-CE2 3.59Å; R284-Y286 HydrophobicContact CB-CD1 4Å; R284-Y286 HydrophobicContact CB-CE1 3.69Å; R284-Y286 HydrophobicContact CG-CE1 4.18Å; Y286-C288 HydrophobicContact CE2-CB 4.28Å; Y286-R384 HydrophobicContact CD2-CB 4.2Å; Y286-R384 HydrophobicContact CD2-CG 4.07Å; Y286-R384 HydrophobicContact CE2-CG 3.91Å; Y286-L386 HydrophobicContact CG-CD2 4.31Å; Y286-T392 HydrophobicContact CD1-CG2 3.98Å; Y286-T392 HydrophobicContact CE1-CG2 3.72Å
287H95.5Very high85.3Confident44 Ų4456.1 Ų56.120%0.20431%0.308CS..EExtended strand (participates in β ladder)trans-114.5145.9171.7-5676.3000111W275 L276 H277 R384 K385W275-H287 HydrophobicContact CB-CB 3.93Å; L276-H287 CarbonylContact O-C 3.58Å; L276-H287 WeakPolarHBondContact O-CA 3.32Å; H277-H287 AromaticContact CD2-NE2 3.96Å; H287-R384 CarbonylContact O-C 3.48Å; H287-R384 VanDerWaalsContact O-CA 3.29Å; H287-R384 WeakPolarHBondContact O-CA 3.27Å; H287-K385 HydrophobicContact CB-CB 4.36Å; H287-K385 PolarHBondContact N-O 3.08Å; H287-K385 PolarHBondContact O-N 3.26Å
288C94.7Very high85.3Confident3 Ų353.7 Ų53.72%0.0230%0.3CS..EExtended strand (participates in β ladder)trans-124.8143.8175.3-172.50000110L276 C278 Y286 F290 L383L276-C288 PolarHBondContact N-O 2.88Å; L276-C288 PolarHBondContact O-N 2.9Å; C278-C288 VanDerWaalsContact SG-CB 3.55Å; Y286-C288 HydrophobicContact CE2-CB 4.28Å; C288-F290 HydrophobicContact CB-CD2 3.88Å; C288-F290 HydrophobicContact CB-CE2 3.6Å; C288-F290 PolarHBondContact O-N 3.18Å; C288-L383 CarbonylContact C-O 3.56Å; C288-L383 WeakPolarHBondContact CA-O 3.47Å; C288-L383 PolarHBondContact SG-O 3.01Å; C288-L383 VanDerWaalsContact SG-O 3.38Å
289L93.7Very high85.3Confident9 Ų957.6 Ų57.65%0.04732%0.319CS..EExtended strand (participates in β ladder)trans-71.3127.9171.1-169.570.5000108.2I270 N274 W275 I297 C301 L383I270-L289 HydrophobicContact CD1-CD1 3.95Å; I270-L289 HydrophobicContact CD1-CD2 3.97Å; I270-L289 HydrophobicContact CG2-CD1 3.9Å; N274-L289 HydrophobicContact CB-CD1 3.97Å; W275-L289 HydrophobicContact CD2-CD1 4.48Å; W275-L289 HydrophobicContact CE3-CB 4.09Å; W275-L289 HydrophobicContact CH2-CB 4.25Å; W275-L289 HydrophobicContact CZ3-CB 3.79Å; L289-I297 HydrophobicContact CD1-CG2 4.42Å; L289-I297 HydrophobicContact CD2-CB 4.05Å; L289-I297 HydrophobicContact CD2-CG2 3.78Å; L289-I297 HydrophobicContact CG-CG2 3.76Å; L289-C301 HydrophobicContact CD2-CB 3.75Å; L289-L383 HydrophobicContact CB-CB 4.18Å; L289-L383 HydrophobicContact CB-CD2 4.04Å; L289-L383 HydrophobicContact CB-CG 4.41Å; L289-L383 HydrophobicContact CD2-CD2 3.64Å; L289-L383 HydrophobicContact CG-CD2 4.47Å; L289-L383 PolarHBondContact N-O 3.4Å
290F80.7Confident85.5Confident88 Ų8858 Ų5839%0.38632%0.315SS..  trans-130.4149.2177.6-89.2-86.6000110.9L276 C288L276-F290 HydrophobicContact CB-CB 4.45Å; L276-F290 HydrophobicContact CB-CD2 3.8Å; L276-F290 HydrophobicContact CB-CG 4.47Å; L276-F290 HydrophobicContact CD2-CD2 3.81Å; L276-F290 HydrophobicContact CD2-CE2 4.07Å; L276-F290 HydrophobicContact CD2-CG 4.21Å; L276-F290 HydrophobicContact CG-CD2 4.42Å; C288-F290 HydrophobicContact CB-CD2 3.88Å; C288-F290 HydrophobicContact CB-CE2 3.6Å; C288-F290 PolarHBondContact O-N 3.18Å
291N71.6Confident85.7Confident103 Ų10356.7 Ų56.755%0.55131%0.307SS*.  trans-82.2133.5167.2-163.55000108.9N295 T296 I297N291-N295 PolarHBondContact OD1-O 3.46Å; N291-T296 WeakPolarHBondContact OD1-CA 3.35Å; N291-I297 HydrophobicContact CB-CG2 4.34Å
292T63.8Low85.7Confident71 Ų7158.7 Ų58.744%0.43632%0.317SS..BIsolated β-bridgetrans-127.9156.1173.662.30000108.7S294 N295T292-S294 PolarHBondContact O-N 3.44Å; T292-N295 PolarHBondContact N-O 2.87Å; T292-N295 VanDerWaalsContact N-O 3.13Å; T292-N295 CarbonylContact O-C 3.52Å; T292-N295 PolarHBondContact O-N 2.79Å; T292-N295 PolarHBondContact OG1-N 2.94Å
293N63.2Low85.8Confident181 Ų18157.5 Ų57.597%0.96831%0.31SS*.THydrogen-bonded Turntrans-52.5-21.5176.4-69.9-21000113.8
294S62.6Low86Confident109 Ų10956.5 Ų56.576%0.76231%0.306SS*.THydrogen-bonded Turntrans-100.8-19.3-179.1-570000114.4T292T292-S294 PolarHBondContact O-N 3.44Å
295N66.1Low86.1Confident55 Ų5554 Ų5429%0.29430%0.298SS..BIsolated β-bridgetrans-143.9114-174-72.4-38000110.6N291 T292N291-N295 PolarHBondContact OD1-O 3.46Å; T292-N295 PolarHBondContact N-O 2.87Å; T292-N295 VanDerWaalsContact N-O 3.13Å; T292-N295 CarbonylContact O-C 3.52Å; T292-N295 PolarHBondContact O-N 2.79Å; T292-N295 PolarHBondContact OG1-N 2.94Å
296T79Confident86.1Confident114 Ų11454.8 Ų54.870%0.69930%0.298SS*.PPolyproline II helixtrans-81.5141.2174.554.10000110.9N291N291-T296 WeakPolarHBondContact OD1-CA 3.35Å
297I86.5Confident86.2Confident25 Ų2553.6 Ų53.613%0.12829%0.293CS..PPolyproline II helixtrans-64.2146.7171.458.7172.4000110.5L289 N291 D302 I305L289-I297 HydrophobicContact CD1-CG2 4.42Å; L289-I297 HydrophobicContact CD2-CB 4.05Å; L289-I297 HydrophobicContact CD2-CG2 3.78Å; L289-I297 HydrophobicContact CG-CG2 3.76Å; N291-I297 HydrophobicContact CB-CG2 4.34Å; I297-D302 HydrophobicContact CD1-CB 3.7Å; I297-D302 HydrophobicContact CG1-CB 4.01Å; I297-I305 HydrophobicContact CD1-CD1 4.06Å
298P92.6Very high86.3Confident39 Ų3951.5 Ų51.525%0.25328%0.283SS..PPolyproline II helixtrans-59.4146174.6-24.134.1000112.2C266 I270 L300 C301 D302C266-P298 WeakPolarHBondContact SG-CB 3.23Å; I270-P298 HydrophobicContact CD1-CG 3.91Å; I270-P298 HydrophobicContact CG1-CG 3.93Å; P298-L300 VanDerWaalsContact C-N 3.32Å; P298-L300 PolarHBondContact O-N 2.91Å; P298-C301 WeakPolarHBondContact O-CA 3.41Å; P298-C301 WeakPolarHBondContact O-CB 3.22Å; P298-C301 PolarHBondContact O-N 3Å; P298-D302 PolarHBondContact O-N 2.94Å
299D93.3Very high86.4Confident100 Ų10053.2 Ų53.254%0.53529%0.291SS..Hα-helixtrans-55.5-40.4-176.7177.643.2000113.5C301 D302 Q303D299-C301 VanDerWaalsContact C-N 3.31Å; D299-C301 PolarHBondContact O-N 3.3Å; D299-D302 PolarHBondContact O-N 2.98Å; D299-Q303 WeakPolarHBondContact O-CB 3.33Å; D299-Q303 VanDerWaalsContact O-CG 3.27Å; D299-Q303 WeakPolarHBondContact O-CG 3.49Å; D299-Q303 PolarHBondContact O-N 3.3Å; D299-Q303 PolarHBondContact OD1-NE2 3.24Å; D299-Q303 VanDerWaalsContact OD1-NE2 3.13Å; D299-Q303 PolarHBondContact OD2-NE2 2.83Å
300L95.3Very high86.5Confident35 Ų3552.8 Ų52.818%0.18329%0.288CS..Hα-helixtrans-62.9-36.1175-72.1171.8000113W225 E262 L263 C266 P298 I304W225-L300 HydrophobicContact CH2-CB 4.38Å; W225-L300 HydrophobicContact CH2-CD2 4.04Å; W225-L300 HydrophobicContact CZ2-CD2 3.82Å; E262-L300 HydrophobicContact CB-CD1 4.01Å; L263-L300 HydrophobicContact CD1-CB 4.5Å; C266-L300 HydrophobicContact CB-CB 4.43Å; C266-L300 HydrophobicContact CB-CD1 3.87Å; P298-L300 VanDerWaalsContact C-N 3.32Å; P298-L300 PolarHBondContact O-N 2.91Å; L300-I304 PolarHBondContact O-N 3.12Å
301C95.8Very high87.2Confident0 Ų051 Ų510%028%0.281CS..Hα-helixtrans-73.2-38.9176.3-63.80000111L289 P298 D299 I304 I305 L383L289-C301 HydrophobicContact CD2-CB 3.75Å; P298-C301 WeakPolarHBondContact O-CA 3.41Å; P298-C301 WeakPolarHBondContact O-CB 3.22Å; P298-C301 PolarHBondContact O-N 3Å; D299-C301 VanDerWaalsContact C-N 3.31Å; D299-C301 PolarHBondContact O-N 3.3Å; C301-I304 VanDerWaalsContact O-CG2 3.22Å; C301-I304 WeakPolarHBondContact O-CG2 3.5Å; C301-I305 WeakPolarHBondContact O-CB 3.44Å; C301-I305 WeakPolarHBondContact O-CD1 3.49Å; C301-I305 VanDerWaalsContact O-CG1 3.22Å; C301-I305 WeakPolarHBondContact O-CG1 3.46Å; C301-I305 PolarHBondContact O-N 2.87Å; C301-I305 VanDerWaalsContact O-N 3.09Å; C301-L383 HydrophobicContact CB-CD2 4.22Å
302D94.6Very high88.3Confident51 Ų5147.6 Ų47.627%0.27327%0.267SS..Hα-helixtrans-61.6-46.5173.5-178.375.8000111.5I297 P298 D299 I304 I305 R306I297-D302 HydrophobicContact CD1-CB 3.7Å; I297-D302 HydrophobicContact CG1-CB 4.01Å; P298-D302 PolarHBondContact O-N 2.94Å; D299-D302 PolarHBondContact O-N 2.98Å; D302-I304 PolarHBondContact O-N 3.39Å; D302-I305 PolarHBondContact O-N 3.34Å; D302-R306 WeakPolarHBondContact O-CB 3.36Å; D302-R306 WeakPolarHBondContact O-CG 3.44Å; D302-R306 PolarHBondContact O-N 3.07Å; D302-R306 WeakPolarHBondContact OD2-CD 3.41Å; D302-R306 IonicContact OD2-CZ 2.67Å; D302-R306 IonicContact OD2-NE 2.82Å; D302-R306 PolarHBondContact OD2-NE 2.82Å; D302-R306 IonicContact OD2-NH2 2.81Å
303Q96.4Very high89.8Confident20 Ų2044.2 Ų44.29%0.09325%0.246CC..Hα-helixtrans-56.2-47.7176.9-78.3174.436.400113L221 W225 D299 R306 L307L221-Q303 HydrophobicContact CD1-CB 4.05Å; L221-Q303 HydrophobicContact CD1-CG 3.87Å; W225-Q303 HydrophobicContact CZ2-CB 3.79Å; W225-Q303 VanDerWaalsContact NE1-OE1 3.09Å; D299-Q303 WeakPolarHBondContact O-CB 3.33Å; D299-Q303 VanDerWaalsContact O-CG 3.27Å; D299-Q303 WeakPolarHBondContact O-CG 3.49Å; D299-Q303 PolarHBondContact O-N 3.3Å; D299-Q303 PolarHBondContact OD1-NE2 3.24Å; D299-Q303 VanDerWaalsContact OD1-NE2 3.13Å; D299-Q303 PolarHBondContact OD2-NE2 2.83Å; Q303-R306 VanDerWaalsContact CG-NH2 3.33Å; Q303-R306 PolarHBondContact O-N 3Å; Q303-L307 WeakPolarHBondContact O-CB 3.36Å; Q303-L307 PolarHBondContact O-N 3.37Å
304I96.1Very high91.4Very high0 Ų035.6 Ų35.60%020%0.2CC..Hα-helixtrans-68.8-36.9180-166.169.2000111.8W225 I255 L263 L300 C301 D302 L307 F308 L410 L526W225-I304 HydrophobicContact CD2-CD1 4.3Å; W225-I304 HydrophobicContact CE3-CD1 3.73Å; W225-I304 HydrophobicContact CH2-CB 4.34Å; W225-I304 HydrophobicContact CZ3-CB 4.32Å; W225-I304 HydrophobicContact CZ3-CD1 4.03Å; I255-I304 HydrophobicContact CD1-CD1 3.76Å; I255-I304 HydrophobicContact CG1-CD1 4.46Å; L263-I304 HydrophobicContact CD1-CG2 4.17Å; L263-I304 HydrophobicContact CD2-CG1 4.4Å; L300-I304 PolarHBondContact O-N 3.12Å; C301-I304 VanDerWaalsContact O-CG2 3.22Å; C301-I304 WeakPolarHBondContact O-CG2 3.5Å; D302-I304 PolarHBondContact O-N 3.39Å; I304-L307 HydrophobicContact CD1-CD2 4.16Å; I304-L307 PolarHBondContact O-N 3.06Å; I304-F308 HydrophobicContact CD1-CD2 4.1Å; I304-F308 HydrophobicContact CD1-CE2 3.75Å; I304-F308 HydrophobicContact CG1-CD2 4.24Å; I304-F308 HydrophobicContact CG1-CE2 4.21Å; I304-F308 WeakPolarHBondContact O-CD2 3.48Å; I304-F308 PolarHBondContact O-N 2.87Å; I304-F308 VanDerWaalsContact O-N 3.15Å; I304-L410 HydrophobicContact CD1-CD2 4.22Å; I304-L410 HydrophobicContact CG1-CD2 4.3Å; I304-L526 HydrophobicContact CG1-CD2 4.18Å
305I95.8Very high92.9Very high18 Ų1832 Ų329%0.09217%0.174CC..Hα-helixtrans-64-48.7174.8-71.5166.9000109.9I297 C301 D302 L307 F308 K309 P381 L383 L526I297-I305 HydrophobicContact CD1-CD1 4.06Å; C301-I305 WeakPolarHBondContact O-CB 3.44Å; C301-I305 WeakPolarHBondContact O-CD1 3.49Å; C301-I305 VanDerWaalsContact O-CG1 3.22Å; C301-I305 WeakPolarHBondContact O-CG1 3.46Å; C301-I305 PolarHBondContact O-N 2.87Å; C301-I305 VanDerWaalsContact O-N 3.09Å; D302-I305 PolarHBondContact O-N 3.34Å; I305-L307 VanDerWaalsContact C-N 3.32Å; I305-L307 PolarHBondContact O-N 2.74Å; I305-F308 PolarHBondContact O-N 3.31Å; I305-K309 WeakPolarHBondContact O-CB 3.04Å; I305-K309 PolarHBondContact O-N 3.05Å; I305-P381 HydrophobicContact CG2-CB 4.21Å; I305-P381 HydrophobicContact CG2-CG 4.15Å; I305-L383 HydrophobicContact CD1-CB 4.41Å; I305-L526 HydrophobicContact CG1-CD1 4.25Å
306R96Very high94.2Very high60 Ų6030.1 Ų30.123%0.22616%0.164CC..Hα-helixtrans-59.6-40.8176.4-74-169.6-63.7123.5-3.7112.3I215 I217 E218 D302 Q303 K309 S310I215-R306 HydrophobicContact CD1-CB 4.05Å; I215-R306 HydrophobicContact CD1-CG 3.98Å; I217-R306 HydrophobicContact CG2-CB 4.28Å; E218-R306 IonicContact OE2-NH1 3.63Å; D302-R306 WeakPolarHBondContact O-CB 3.36Å; D302-R306 WeakPolarHBondContact O-CG 3.44Å; D302-R306 PolarHBondContact O-N 3.07Å; D302-R306 WeakPolarHBondContact OD2-CD 3.41Å; D302-R306 IonicContact OD2-CZ 2.67Å; D302-R306 IonicContact OD2-NE 2.82Å; D302-R306 PolarHBondContact OD2-NE 2.82Å; D302-R306 IonicContact OD2-NH2 2.81Å; Q303-R306 VanDerWaalsContact CG-NH2 3.33Å; Q303-R306 PolarHBondContact O-N 3Å; R306-K309 PolarHBondContact O-N 3.08Å; R306-S310 WeakPolarHBondContact O-CB 3.43Å; R306-S310 PolarHBondContact O-N 2.64Å; R306-S310 VanDerWaalsContact O-N 3.15Å
307L97.6Very high95Very high0 Ų024.7 Ų24.70%013%0.13CC..Hα-helixtrans-57.2-52.1176.217862.8000111.1I217 V222 W225 I226 Q303 I304 I305 K309 S310 M313I217-L307 HydrophobicContact CD1-CD1 3.68Å; V222-L307 HydrophobicContact CG2-CD1 4.02Å; W225-L307 HydrophobicContact CB-CD2 3.7Å; W225-L307 HydrophobicContact CG-CD2 4.23Å; I226-L307 HydrophobicContact CD1-CD1 4.46Å; I226-L307 HydrophobicContact CD1-CD2 4.33Å; I226-L307 HydrophobicContact CG1-CD2 4.14Å; Q303-L307 WeakPolarHBondContact O-CB 3.36Å; Q303-L307 PolarHBondContact O-N 3.37Å; I304-L307 HydrophobicContact CD1-CD2 4.16Å; I304-L307 PolarHBondContact O-N 3.06Å; I305-L307 VanDerWaalsContact C-N 3.32Å; I305-L307 PolarHBondContact O-N 2.74Å; L307-K309 VanDerWaalsContact C-N 3.26Å; L307-K309 PolarHBondContact O-N 2.97Å; L307-S310 WeakPolarHBondContact O-CB 3.24Å; L307-S310 PolarHBondContact O-N 3.23Å; L307-S310 VanDerWaalsContact O-N 3.13Å; L307-S310 PolarHBondContact O-OG 3.15Å; L307-M313 VanDerWaalsContact O-CB 3.24Å; L307-M313 WeakPolarHBondContact O-CB 3.42Å
308F97.2Very high95.4Very high0 Ų023.5 Ų23.50%012%0.124CC..Hα-helixtrans-72-20.4-179.7-80.8-109.2000113.3F254 I304 I305 S310 M313 L410 L463 L526 I528 Y530F254-F308 HydrophobicContact CD1-CZ 4.45Å; F254-F308 HydrophobicContact CE1-CZ 4.11Å; I304-F308 HydrophobicContact CD1-CD2 4.1Å; I304-F308 HydrophobicContact CD1-CE2 3.75Å; I304-F308 HydrophobicContact CG1-CD2 4.24Å; I304-F308 HydrophobicContact CG1-CE2 4.21Å; I304-F308 WeakPolarHBondContact O-CD2 3.48Å; I304-F308 PolarHBondContact O-N 2.87Å; I304-F308 VanDerWaalsContact O-N 3.15Å; I305-F308 PolarHBondContact O-N 3.31Å; F308-S310 VanDerWaalsContact C-N 3.29Å; F308-M313 HydrophobicContact CD1-CE 3.64Å; F308-M313 HydrophobicContact CD2-CE 4.31Å; F308-M313 HydrophobicContact CE1-CE 3.34Å; F308-M313 HydrophobicContact CE2-CE 4.03Å; F308-M313 HydrophobicContact CG-CE 4.13Å; F308-M313 HydrophobicContact CZ-CE 3.55Å; F308-L410 HydrophobicContact CE1-CB 4.23Å; F308-L410 HydrophobicContact CE2-CD2 3.92Å; F308-L410 HydrophobicContact CZ-CB 3.99Å; F308-L410 HydrophobicContact CZ-CD2 3.78Å; F308-L410 HydrophobicContact CZ-CG 4.33Å; F308-L463 HydrophobicContact CE1-CD1 3.69Å; F308-L463 HydrophobicContact CZ-CD1 3.98Å; F308-L526 HydrophobicContact CB-CD2 3.91Å; F308-L526 HydrophobicContact CD1-CD2 4Å; F308-L526 HydrophobicContact CD2-CD2 3.62Å; F308-L526 HydrophobicContact CE1-CD2 4.43Å; F308-L526 HydrophobicContact CE2-CD2 4.12Å; F308-L526 HydrophobicContact CG-CD2 3.56Å; F308-I528 HydrophobicContact CD1-CG2 4Å; F308-I528 WeakPolarHBondContact O-CD1 3.32Å; F308-Y530 PolarHBondContact O-OH 3.12Å
309K95.7Very high95.5Very high40 Ų4022.4 Ų22.417%0.17412%0.116CC..THydrogen-bonded Turntrans-80.4-7.1172-166.6164.3172.6151.70113.4I212 P214 I215 I305 R306 L307 L378 E380 P381I212-K309 HydrophobicContact CD1-CD 3.96Å; I212-K309 HydrophobicContact CD1-CG 4.06Å; P214-K309 VanDerWaalsContact CA-O 3.26Å; P214-K309 WeakPolarHBondContact CA-O 3.48Å; I215-K309 HydrophobicContact CD1-CB 4.15Å; I215-K309 HydrophobicContact CD1-CD 4.27Å; I215-K309 HydrophobicContact CD1-CG 4.16Å; I215-K309 HydrophobicContact CG1-CB 4.13Å; I215-K309 HydrophobicContact CG1-CG 4.02Å; I215-K309 HydrophobicContact CG2-CD 4.34Å; I215-K309 HydrophobicContact CG2-CG 4.18Å; I215-K309 PolarHBondContact N-O 3.04Å; I305-K309 WeakPolarHBondContact O-CB 3.04Å; I305-K309 PolarHBondContact O-N 3.05Å; R306-K309 PolarHBondContact O-N 3.08Å; L307-K309 VanDerWaalsContact C-N 3.26Å; L307-K309 PolarHBondContact O-N 2.97Å; K309-L378 HydrophobicContact CB-CD1 4.47Å; K309-L378 HydrophobicContact CG-CD1 4.09Å; K309-E380 VanDerWaalsContact NZ-CD 3.25Å; K309-E380 IonicContact NZ-OE1 3.25Å; K309-E380 PolarHBondContact NZ-OE1 3.15Å; K309-E380 IonicContact NZ-OE2 3.83Å; K309-E380 PolarHBondContact NZ-OE2 2.78Å; K309-P381 HydrophobicContact CB-CG 3.96Å
310S96.3Very high95.5Very high0 Ų017.6 Ų17.60%09%0.09CC..BIsolated β-bridgetrans-89154.9-164.872.80000115.9I215 I217 R306 L307 F308 A312 M313 L314I215-S310 CarbonylContact O-C 3.5Å; I215-S310 WeakPolarHBondContact O-CA 3.44Å; I217-S310 VanDerWaalsContact CD1-OG 3.27Å; I217-S310 WeakPolarHBondContact CD1-OG 3.47Å; R306-S310 WeakPolarHBondContact O-CB 3.43Å; R306-S310 PolarHBondContact O-N 2.64Å; R306-S310 VanDerWaalsContact O-N 3.15Å; L307-S310 WeakPolarHBondContact O-CB 3.24Å; L307-S310 PolarHBondContact O-N 3.23Å; L307-S310 VanDerWaalsContact O-N 3.13Å; L307-S310 PolarHBondContact O-OG 3.15Å; F308-S310 VanDerWaalsContact C-N 3.29Å; S310-A312 PolarHBondContact O-N 3.46Å; S310-M313 PolarHBondContact O-N 2.96Å; S310-M313 PolarHBondContact OG-N 2.8Å; S310-M313 VanDerWaalsContact OG-N 3.13Å; S310-L314 PolarHBondContact O-N 3.39Å
311E95.4Very high95.5Very high51 Ų5116 Ų1624%0.2388%0.082CC..Hα-helixtrans-57.2-37.7167.4-67.8175.5179.800112.2P214 I215 H216 M313 L314 V315P214-E311 HydrophobicContact CB-CG 3.95Å; P214-E311 HydrophobicContact CG-CG 3.99Å; I215-E311 PolarHBondContact O-N 3.05Å; H216-E311 IonicContact ND1-OE2 3.28Å; E311-M313 VanDerWaalsContact C-N 3.27Å; E311-M313 PolarHBondContact O-N 2.89Å; E311-L314 WeakPolarHBondContact O-CB 3.42Å; E311-L314 PolarHBondContact O-N 3.44Å; E311-V315 PolarHBondContact O-N 2.97Å; E311-V315 VanDerWaalsContact O-N 3.11Å
312A95.3Very high95.3Very high31 Ų3117.5 Ų17.526%0.25610%0.097SC..Hα-helixtrans-61.5-37.8178.100000111.8I217 V222 S310 L314 V315 I316I217-A312 HydrophobicContact CD1-CB 4.26Å; I217-A312 HydrophobicContact CG1-CB 4.25Å; V222-A312 HydrophobicContact CG2-CB 3.67Å; S310-A312 PolarHBondContact O-N 3.46Å; A312-L314 VanDerWaalsContact C-N 3.34Å; A312-V315 WeakPolarHBondContact O-CB 3.46Å; A312-V315 PolarHBondContact O-N 3Å; A312-I316 VanDerWaalsContact O-CG1 3.31Å; A312-I316 WeakPolarHBondContact O-CG1 3.33Å; A312-I316 PolarHBondContact O-N 3.06Å; A312-I316 VanDerWaalsContact O-N 3.11Å
313M96Very high95.2Very high0 Ų015.9 Ų15.90%09%0.088CC..Hα-helixtrans-67.5-35.1174.3-170.861.9158.100112I226 F254 L307 F308 S310 E311 V315 I316 L317 L463I226-M313 HydrophobicContact CD1-SD 4.4Å; F254-M313 HydrophobicContact CE1-CE 4.01Å; F254-M313 HydrophobicContact CZ-CE 4.03Å; L307-M313 VanDerWaalsContact O-CB 3.24Å; L307-M313 WeakPolarHBondContact O-CB 3.42Å; F308-M313 HydrophobicContact CD1-CE 3.64Å; F308-M313 HydrophobicContact CD2-CE 4.31Å; F308-M313 HydrophobicContact CE1-CE 3.34Å; F308-M313 HydrophobicContact CE2-CE 4.03Å; F308-M313 HydrophobicContact CG-CE 4.13Å; F308-M313 HydrophobicContact CZ-CE 3.55Å; S310-M313 PolarHBondContact O-N 2.96Å; S310-M313 PolarHBondContact OG-N 2.8Å; S310-M313 VanDerWaalsContact OG-N 3.13Å; E311-M313 VanDerWaalsContact C-N 3.27Å; E311-M313 PolarHBondContact O-N 2.89Å; M313-V315 VanDerWaalsContact C-N 3.3Å; M313-V315 PolarHBondContact O-N 2.92Å; M313-I316 PolarHBondContact O-N 2.84Å; M313-I316 HydrophobicContact SD-CB 4.44Å; M313-L317 HydrophobicContact CE-CD1 4.48Å; M313-L317 HydrophobicContact CE-CD2 4.22Å; M313-L317 HydrophobicContact CE-CG 4.34Å; M313-L317 HydrophobicContact CG-CD1 3.93Å; M313-L317 HydrophobicContact CG-CG 4.12Å; M313-L317 WeakPolarHBondContact O-CB 3.47Å; M313-L317 VanDerWaalsContact O-CG 3.25Å; M313-L317 WeakPolarHBondContact O-CG 3.38Å; M313-L317 PolarHBondContact O-N 2.78Å; M313-L317 HydrophobicContact SD-CG 4.27Å; M313-L463 HydrophobicContact CE-CD2 4.32Å
314L95.5Very high94.9Very high0 Ų018.1 Ų18.10%010%0.099CC..Hα-helixtrans-60.7-39.9173.3-57.7-177.5000111.8P214 S310 E311 A312 S318 L325 H326 T376 Y530P214-L314 HydrophobicContact CB-CD1 3.79Å; P214-L314 HydrophobicContact CB-CG 4.5Å; P214-L314 HydrophobicContact CG-CD1 3.73Å; S310-L314 PolarHBondContact O-N 3.39Å; E311-L314 WeakPolarHBondContact O-CB 3.42Å; E311-L314 PolarHBondContact O-N 3.44Å; A312-L314 VanDerWaalsContact C-N 3.34Å; L314-S318 WeakPolarHBondContact O-CB 3.3Å; L314-S318 PolarHBondContact O-N 3.18Å; L314-S318 PolarHBondContact O-OG 2.97Å; L314-L325 HydrophobicContact CB-CB 4.24Å; L314-L325 HydrophobicContact CD2-CB 4.4Å; L314-H326 HydrophobicContact CB-CB 3.82Å; L314-T376 HydrophobicContact CD2-CG2 4.18Å; L314-Y530 HydrophobicContact CD2-CD1 3.35Å; L314-Y530 HydrophobicContact CD2-CE1 3.63Å; L314-Y530 HydrophobicContact CD2-CG 4.3Å
315V94.2Very high94.6Very high34 Ų3418.3 Ų18.321%0.20610%0.1CC..Hα-helixtrans-61.1-50.3173.7176.90000110.8E311 A312 M313 L317 S318 D319 H326 C328E311-V315 PolarHBondContact O-N 2.97Å; E311-V315 VanDerWaalsContact O-N 3.11Å; A312-V315 WeakPolarHBondContact O-CB 3.46Å; A312-V315 PolarHBondContact O-N 3Å; M313-V315 VanDerWaalsContact C-N 3.3Å; M313-V315 PolarHBondContact O-N 2.92Å; V315-L317 PolarHBondContact O-N 2.7Å; V315-S318 WeakPolarHBondContact O-CB 3.4Å; V315-S318 PolarHBondContact O-N 2.84Å; V315-D319 PolarHBondContact O-N 3.26Å; V315-H326 HydrophobicContact CG2-CB 3.94Å; V315-H326 VanDerWaalsContact CG2-ND1 3.29Å; V315-H326 WeakPolarHBondContact CG2-ND1 3.48Å; V315-C328 HydrophobicContact CG2-CB 4.45Å
316I94.6Very high94.4Very high15 Ų1518.3 Ų18.38%0.07710%0.099CC..Hα-helixtrans-61.7-45.6-178.3-65.4166.8000111.1V222 I226 F231 A312 M313 S318 D319 I320V222-I316 HydrophobicContact CG1-CD1 3.6Å; I226-I316 HydrophobicContact CD1-CD1 3.44Å; I226-I316 VanDerWaalsContact CD1-CD1 3.44Å; F231-I316 HydrophobicContact CE1-CD1 4.07Å; F231-I316 HydrophobicContact CE1-CG1 4.4Å; A312-I316 VanDerWaalsContact O-CG1 3.31Å; A312-I316 WeakPolarHBondContact O-CG1 3.33Å; A312-I316 PolarHBondContact O-N 3.06Å; A312-I316 VanDerWaalsContact O-N 3.11Å; M313-I316 PolarHBondContact O-N 2.84Å; M313-I316 HydrophobicContact SD-CB 4.44Å; I316-S318 VanDerWaalsContact C-N 3.32Å; I316-S318 PolarHBondContact O-N 2.94Å; I316-D319 PolarHBondContact O-N 2.92Å; I316-I320 HydrophobicContact CG2-CD1 3.68Å; I316-I320 HydrophobicContact CG2-CG1 4.44Å; I316-I320 WeakPolarHBondContact O-CB 3.12Å; I316-I320 VanDerWaalsContact O-CG1 3.26Å; I316-I320 WeakPolarHBondContact O-CG1 3.23Å; I316-I320 PolarHBondContact O-N 3Å
317L95.8Very high93.8Very high0 Ų018.3 Ų18.30%011%0.107CC..Hα-helixtrans-65.5-37.4177.6-68.7176.4000111.5M313 V315 I320 T321 L325 L406 L465 Y530M313-L317 HydrophobicContact CE-CD1 4.48Å; M313-L317 HydrophobicContact CE-CD2 4.22Å; M313-L317 HydrophobicContact CE-CG 4.34Å; M313-L317 HydrophobicContact CG-CD1 3.93Å; M313-L317 HydrophobicContact CG-CG 4.12Å; M313-L317 WeakPolarHBondContact O-CB 3.47Å; M313-L317 VanDerWaalsContact O-CG 3.25Å; M313-L317 WeakPolarHBondContact O-CG 3.38Å; M313-L317 PolarHBondContact O-N 2.78Å; M313-L317 HydrophobicContact SD-CG 4.27Å; V315-L317 PolarHBondContact O-N 2.7Å; L317-I320 PolarHBondContact O-N 3.19Å; L317-T321 WeakPolarHBondContact O-CB 3.49Å; L317-T321 WeakPolarHBondContact O-CG2 3.39Å; L317-T321 PolarHBondContact O-N 3.37Å; L317-T321 PolarHBondContact O-OG1 3.37Å; L317-L325 HydrophobicContact CB-CD1 3.71Å; L317-L325 HydrophobicContact CD1-CD1 4.48Å; L317-L406 HydrophobicContact CB-CD2 4.11Å; L317-L406 HydrophobicContact CD1-CD2 4.27Å; L317-L406 HydrophobicContact CD2-CD2 4.34Å; L317-L406 HydrophobicContact CG-CD2 4.48Å; L317-L465 HydrophobicContact CD2-CD1 3.92Å; L317-L465 HydrophobicContact CD2-CD2 3.74Å; L317-Y530 HydrophobicContact CD1-CD2 3.75Å; L317-Y530 HydrophobicContact CD1-CE1 4.13Å; L317-Y530 HydrophobicContact CD1-CE2 3.27Å; L317-Y530 HydrophobicContact CD1-CG 4.36Å; L317-Y530 VanDerWaalsContact CD1-CZ 3.47Å
318S94.6Very high93.1Very high0 Ų022.9 Ų22.90%014%0.138CC..Hα-helixtrans-59.4-49.3172.4-57.10000110.5L314 V315 I316 I320 T321 G322 I323 L325 H326 S329 I331L314-S318 WeakPolarHBondContact O-CB 3.3Å; L314-S318 PolarHBondContact O-N 3.18Å; L314-S318 PolarHBondContact O-OG 2.97Å; V315-S318 WeakPolarHBondContact O-CB 3.4Å; V315-S318 PolarHBondContact O-N 2.84Å; I316-S318 VanDerWaalsContact C-N 3.32Å; I316-S318 PolarHBondContact O-N 2.94Å; S318-I320 VanDerWaalsContact C-N 3.32Å; S318-I320 PolarHBondContact O-N 3.45Å; S318-T321 PolarHBondContact O-N 2.88Å; S318-G322 WeakPolarHBondContact O-CA 3.41Å; S318-G322 PolarHBondContact O-N 3.43Å; S318-I323 WeakPolarHBondContact CA-O 3.39Å; S318-I323 WeakPolarHBondContact CB-O 3.32Å; S318-I323 PolarHBondContact OG-O 3.48Å; S318-L325 WeakPolarHBondContact OG-CB 3.47Å; S318-L325 PolarHBondContact OG-N 3.27Å; S318-H326 PolarHBondContact OG-N 3.33Å; S318-S329 VanDerWaalsContact CB-CB 3.43Å; S318-I331 WeakPolarHBondContact O-CD1 3.44Å
319D92.9Very high92.2Very high15 Ų1523.1 Ų23.18%0.0814%0.14CC..Hα-helixtrans-64.4-35.6-179.6-69.9-20.7000113.1L236 R240 V315 I316 I330L236-D319 HydrophobicContact CD1-CB 4.34Å; R240-D319 PolarHBondContact NE-O 3.46Å; R240-D319 PolarHBondContact NH2-O 3.35Å; V315-D319 PolarHBondContact O-N 3.26Å; I316-D319 PolarHBondContact O-N 2.92Å; D319-I330 VanDerWaalsContact OD1-CB 3.29Å; D319-I330 WeakPolarHBondContact OD1-CB 3.15Å; D319-I330 WeakPolarHBondContact OD1-CG1 3.46Å; D319-I330 PolarHBondContact OD1-N 3.01Å; D319-I330 VanDerWaalsContact OD2-CD1 3.29Å; D319-I330 WeakPolarHBondContact OD2-CD1 3.18Å; D319-I330 WeakPolarHBondContact OD2-CG1 3.4Å
320I94.6Very high91.2Very high0 Ų024.4 Ų24.40%015%0.148CC..Hα-helixtrans-69.3-45.5176.7-75.1169.1000111.5L236 I239 R240 L251 F254 I316 L317 S318 L465L236-I320 HydrophobicContact CD2-CG1 3.55Å; I239-I320 HydrophobicContact CG2-CG2 3.79Å; R240-I320 WeakPolarHBondContact CA-O 3.47Å; R240-I320 WeakPolarHBondContact CB-O 3.03Å; R240-I320 PolarHBondContact N-O 2.91Å; L251-I320 HydrophobicContact CD1-CD1 3.94Å; L251-I320 HydrophobicContact CD1-CG2 4.06Å; F254-I320 HydrophobicContact CE2-CD1 4.32Å; I316-I320 HydrophobicContact CG2-CD1 3.68Å; I316-I320 HydrophobicContact CG2-CG1 4.44Å; I316-I320 WeakPolarHBondContact O-CB 3.12Å; I316-I320 VanDerWaalsContact O-CG1 3.26Å; I316-I320 WeakPolarHBondContact O-CG1 3.23Å; I316-I320 PolarHBondContact O-N 3Å; L317-I320 PolarHBondContact O-N 3.19Å; S318-I320 VanDerWaalsContact C-N 3.32Å; S318-I320 PolarHBondContact O-N 3.45Å; I320-L465 HydrophobicContact CG2-CD1 3.61Å
321T94.7Very high89.9Confident2 Ų225.1 Ų25.11%0.01215%0.152CC..Hα-helixtrans-97-26.6-166.660.80000113.6F243 L317 S318 I323 L406 L465F243-T321 HydrophobicContact CD1-CG2 3.99Å; F243-T321 WeakPolarHBondContact CD1-O 3.34Å; F243-T321 HydrophobicContact CD2-CG2 4.36Å; F243-T321 HydrophobicContact CE1-CG2 3.71Å; F243-T321 HydrophobicContact CE2-CG2 4.09Å; F243-T321 HydrophobicContact CG-CG2 4.29Å; F243-T321 HydrophobicContact CZ-CG2 3.73Å; L317-T321 WeakPolarHBondContact O-CB 3.49Å; L317-T321 WeakPolarHBondContact O-CG2 3.39Å; L317-T321 PolarHBondContact O-N 3.37Å; L317-T321 PolarHBondContact O-OG1 3.37Å; S318-T321 PolarHBondContact O-N 2.88Å; T321-I323 VanDerWaalsContact C-N 3.27Å; T321-I323 WeakPolarHBondContact OG1-CB 3.28Å; T321-I323 PolarHBondContact OG1-N 3.03Å; T321-I323 VanDerWaalsContact OG1-N 3.17Å; T321-L406 HydrophobicContact CG2-CD1 4.03Å; T321-L406 HydrophobicContact CG2-CD2 3.82Å; T321-L465 HydrophobicContact CG2-CD1 3.96Å
322G92.2Very high88.2Confident30 Ų3025.9 Ų25.931%0.30916%0.157SC..  trans80.75.2-168.400000113.8S318 I331S318-G322 WeakPolarHBondContact O-CA 3.41Å; S318-G322 PolarHBondContact O-N 3.43Å; G322-I331 WeakPolarHBondContact O-CD1 3.1Å
323I91.7Very high86.2Confident18 Ų1827.5 Ų27.59%0.09217%0.167CC..  trans-86.7138.1174.5-59.2162.8000108.6F243 S318 T321 L325 L406 Y467F243-I323 HydrophobicContact CE1-CD1 3.88Å; F243-I323 HydrophobicContact CZ-CD1 4.37Å; S318-I323 WeakPolarHBondContact CA-O 3.39Å; S318-I323 WeakPolarHBondContact CB-O 3.32Å; S318-I323 PolarHBondContact OG-O 3.48Å; T321-I323 VanDerWaalsContact C-N 3.27Å; T321-I323 WeakPolarHBondContact OG1-CB 3.28Å; T321-I323 PolarHBondContact OG1-N 3.03Å; T321-I323 VanDerWaalsContact OG1-N 3.17Å; I323-L325 HydrophobicContact CB-CG 4.44Å; I323-L325 HydrophobicContact CG2-CD2 3.78Å; I323-L325 HydrophobicContact CG2-CG 4.04Å; I323-L325 PolarHBondContact O-N 3.45Å; I323-L406 HydrophobicContact CD1-CD1 4.12Å; I323-Y467 HydrophobicContact CD1-CD1 4.31Å; I323-Y467 HydrophobicContact CD1-CD2 3.33Å; I323-Y467 HydrophobicContact CD1-CE2 3.58Å; I323-Y467 HydrophobicContact CD1-CG 3.74Å; I323-Y467 HydrophobicContact CG1-CD2 4.43Å; I323-Y467 HydrophobicContact CG1-CE2 4.31Å
324Q90Very high84.2Confident66 Ų6631.1 Ų31.131%0.30819%0.185SC..  trans-83.279.6-178.8-170.166.17.900111.1H326 S329 N332Q324-H326 PolarHBondContact NE2-O 2.86Å; Q324-S329 PolarHBondContact OE1-OG 2.86Å; Q324-N332 PolarHBondContact NE2-ND2 2.73Å
325L91.3Very high81.8Confident4 Ų438.2 Ų38.22%0.02122%0.219CC..SBendtrans-87.6-18.8176.8-55.4172.2000113L314 L317 S318 I323 T376 L406L314-L325 HydrophobicContact CB-CB 4.24Å; L314-L325 HydrophobicContact CD2-CB 4.4Å; L317-L325 HydrophobicContact CB-CD1 3.71Å; L317-L325 HydrophobicContact CD1-CD1 4.48Å; S318-L325 WeakPolarHBondContact OG-CB 3.47Å; S318-L325 PolarHBondContact OG-N 3.27Å; I323-L325 HydrophobicContact CB-CG 4.44Å; I323-L325 HydrophobicContact CG2-CD2 3.78Å; I323-L325 HydrophobicContact CG2-CG 4.04Å; I323-L325 PolarHBondContact O-N 3.45Å; L325-T376 WeakPolarHBondContact CA-OG1 3.4Å; L325-T376 HydrophobicContact CB-CG2 4.38Å; L325-T376 HydrophobicContact CD2-CG2 3.84Å; L325-T376 WeakPolarHBondContact O-CB 3.31Å; L325-T376 PolarHBondContact O-OG1 3Å; L325-T376 VanDerWaalsContact O-OG1 3.05Å; L325-L406 HydrophobicContact CD1-CD2 3.84Å
326H90.5Very high79Confident19 Ų1943.4 Ų43.49%0.08825%0.245CC..SBendtrans-146.7137.3-179.5-167.4-89000111.7L314 V315 S318 Q324 C328 S329L314-H326 HydrophobicContact CB-CB 3.82Å; V315-H326 HydrophobicContact CG2-CB 3.94Å; V315-H326 VanDerWaalsContact CG2-ND1 3.29Å; V315-H326 WeakPolarHBondContact CG2-ND1 3.48Å; S318-H326 PolarHBondContact OG-N 3.33Å; Q324-H326 PolarHBondContact NE2-O 2.86Å; H326-C328 VanDerWaalsContact C-N 3.25Å; H326-C328 VanDerWaalsContact CE1-SG 3.55Å; H326-C328 WeakPolarHBondContact ND1-CB 3.43Å; H326-C328 PolarHBondContact ND1-N 3.27Å; H326-C328 PolarHBondContact O-N 2.98Å; H326-S329 WeakPolarHBondContact O-CB 3.22Å; H326-S329 PolarHBondContact O-N 3.15Å
327P84.6Confident76.3Confident60 Ų6047.9 Ų47.939%0.3927%0.273SS..THydrogen-bonded Turntrans-61.8-26.7-177.622.7-33.6000114.4S329 N332P327-S329 VanDerWaalsContact C-N 3.28Å; P327-S329 PolarHBondContact O-N 3.21Å; P327-N332 PolarHBondContact O-ND2 3.03Å
328C81Confident73.1Confident95 Ų9552.6 Ų52.664%0.64230%0.302SS*.THydrogen-bonded Turntrans-83.411.2178.6-55.20000115.2V315 H326V315-C328 HydrophobicContact CG2-CB 4.45Å; H326-C328 VanDerWaalsContact C-N 3.25Å; H326-C328 VanDerWaalsContact CE1-SG 3.55Å; H326-C328 WeakPolarHBondContact ND1-CB 3.43Å; H326-C328 PolarHBondContact ND1-N 3.27Å; H326-C328 PolarHBondContact O-N 2.98Å
329S79.5Confident70Confident6 Ų659.2 Ų59.24%0.04234%0.342CS..SBendtrans-64.8155.3178.678.70000112.7S318 Q324 H326 P327 I331S318-S329 VanDerWaalsContact CB-CB 3.43Å; Q324-S329 PolarHBondContact OE1-OG 2.86Å; H326-S329 WeakPolarHBondContact O-CB 3.22Å; H326-S329 PolarHBondContact O-N 3.15Å; P327-S329 VanDerWaalsContact C-N 3.28Å; P327-S329 PolarHBondContact O-N 3.21Å; S329-I331 PolarHBondContact O-N 3.47Å; S329-I331 PolarHBondContact OG-N 2.9Å
330I75Confident67Low66 Ų6663.8 Ų63.834%0.33837%0.371SS..THydrogen-bonded Turntrans-67.1-18.9176.6-59.6170.8000111D319 N332 S333 I334D319-I330 VanDerWaalsContact OD1-CB 3.29Å; D319-I330 WeakPolarHBondContact OD1-CB 3.15Å; D319-I330 WeakPolarHBondContact OD1-CG1 3.46Å; D319-I330 PolarHBondContact OD1-N 3.01Å; D319-I330 VanDerWaalsContact OD2-CD1 3.29Å; D319-I330 WeakPolarHBondContact OD2-CD1 3.18Å; D319-I330 WeakPolarHBondContact OD2-CG1 3.4Å; I330-N332 PolarHBondContact O-N 2.95Å; I330-S333 WeakPolarHBondContact CG2-OG 3.25Å; I330-S333 WeakPolarHBondContact O-CB 3.39Å; I330-S333 PolarHBondContact O-N 3.4Å; I330-S333 PolarHBondContact O-OG 3.03Å; I330-I334 HydrophobicContact CG2-CD1 4.16Å; I330-I334 PolarHBondContact O-N 2.73Å
331I68.6Low63.8Low16 Ų1670 Ų708%0.08240%0.404CS..Hα-helixtrans-56.3-38.3-178.7-56.5161.8000111.1S318 G322 S329 S333 I334 Q335S318-I331 WeakPolarHBondContact O-CD1 3.44Å; G322-I331 WeakPolarHBondContact O-CD1 3.1Å; S329-I331 PolarHBondContact O-N 3.47Å; S329-I331 PolarHBondContact OG-N 2.9Å; I331-S333 PolarHBondContact O-N 3.1Å; I331-S333 VanDerWaalsContact O-N 3.16Å; I331-I334 PolarHBondContact O-N 2.82Å; I331-Q335 PolarHBondContact O-N 3.04Å
332N59.6Low60.9Low66 Ų6677.3 Ų77.335%0.35344%0.443SS..Hα-helixtrans-60.3-25.9176.8-75.5-11.9000113.4Q324 P327 I330 N336Q324-N332 PolarHBondContact NE2-ND2 2.73Å; P327-N332 PolarHBondContact O-ND2 3.03Å; I330-N332 PolarHBondContact O-N 2.95Å; N332-N336 PolarHBondContact O-ND2 3.44Å
333S53.5Low57.8Low66 Ų6682.4 Ų82.446%0.46246%0.463SS..Hα-helixtrans-81.3-26.2175.472.60000113.3I330 I331 T337I330-S333 WeakPolarHBondContact CG2-OG 3.25Å; I330-S333 WeakPolarHBondContact O-CB 3.39Å; I330-S333 PolarHBondContact O-N 3.4Å; I330-S333 PolarHBondContact O-OG 3.03Å; I331-S333 PolarHBondContact O-N 3.1Å; I331-S333 VanDerWaalsContact O-N 3.16Å; S333-T337 PolarHBondContact O-OG1 3.18Å
334I54.1Low54.9Low76 Ų7688.8 Ų88.839%0.3950%0.497SS..Hα-helixtrans-85.9-40.3-173.4-63.9167.1000111.2I330 I331 N336 T337I330-I334 HydrophobicContact CG2-CD1 4.16Å; I330-I334 PolarHBondContact O-N 2.73Å; I331-I334 PolarHBondContact O-N 2.82Å; I334-N336 PolarHBondContact O-N 3.44Å; I334-T337 PolarHBondContact O-N 3.29Å
335Q45.2Very low52.4Low149 Ų14993.5 Ų93.570%0.69652%0.523SS*.Hα-helixtrans-63.8-27175.8-75.1178.6-17.700112.4I331 T337I331-Q335 PolarHBondContact O-N 3.04Å; Q335-T337 VanDerWaalsContact C-N 3.3Å; Q335-T337 PolarHBondContact O-N 2.74Å
336N36Very low49.5Very low143 Ų14399.6 Ų99.677%0.76556%0.56SS**THydrogen-bonded Turntrans-77.5-4.7177.3-78.3-39.9000114.9N332 I334N332-N336 PolarHBondContact O-ND2 3.44Å; I334-N336 PolarHBondContact O-N 3.44Å
337T36.5Very low46.9Very low108 Ų108105.6 Ų105.666%0.66359%0.593SS**THydrogen-bonded Turntrans-123.3-9.1-166.6-41.30000116.5S333 I334 Q335S333-T337 PolarHBondContact O-OG1 3.18Å; I334-T337 PolarHBondContact O-N 3.29Å; Q335-T337 VanDerWaalsContact C-N 3.3Å; Q335-T337 PolarHBondContact O-N 2.74Å
338T29.9Very low44.4Very low100 Ų100110.9 Ų110.961%0.61361%0.612SS**  trans-150.493.7-17937.70000114.8V340T338-V340 HydrophobicContact CG2-CG2 4.49Å
339V28.1Very low42.2Very low138 Ų138114.1 Ų114.184%0.83662%0.623SS**  trans-84.995.6152.2-177.70000106.7
340V31.2Very low40.3Very low112 Ų112117.8 Ų117.868%0.67965%0.654SS**  trans-125105167.9-177.20000107.6T338 D342T338-V340 HydrophobicContact CG2-CG2 4.49Å; V340-D342 PolarHBondContact O-N 2.78Å
341N26.4Very low38.4Very low131 Ų131119.9 Ų119.970%0.70167%0.672SS**  trans-62.4112173.8-75-21.4000110.5
342D33Very low36.9Very low155 Ų155128.9 Ų128.983%0.82971%0.714SS**  trans-121.283.4158.9-92.7-25.4000109.6V340 N344V340-D342 PolarHBondContact O-N 2.78Å; D342-N344 PolarHBondContact O-N 2.97Å
343N29.1Very low36.2Very low137 Ų137129.4 Ų129.473%0.73372%0.723SS**  trans-67.9109162-71.6-30.3000108.2
344N30.4Very low35.5Very low152 Ų152133.9 Ų133.981%0.81373%0.734SS**  trans165109.6144-83.5-27.2000109.3D342D342-N344 PolarHBondContact O-N 2.97Å
345I37.7Very low34.6Very low164 Ų164141.4 Ų141.484%0.84176%0.757SS**  trans-177.8100139.7-84.6144.1000106.2
346T29.9Very low34.3Very low133 Ų133141.4 Ų141.482%0.81676%0.759SS**  trans-81.3121.4161.146.10000107.6
347N36.4Very low34.2Very low144 Ų144144.5 Ų144.577%0.7776%0.76SS**  trans-143.7118.5157.8-108.3-6.6000109.2
348E31.6Very low34.1Very low171 Ų171145.1 Ų145.180%0.79976%0.764SS**  trans-75.2160.2176.9-60.9-174.9148.200110.8
349N34Very low34.2Very low163 Ų163147.4 Ų147.487%0.87277%0.768SS**  trans84.777.2169.8-47.9-26.9000116.5
350A39.5Very low34.4Very low83 Ų83148.5 Ų148.569%0.68677%0.769SS**  trans-147.1147.5156.100000109.8
351P35.4Very low34.6Very low111 Ų111149.9 Ų149.972%0.72177%0.771SS**  trans-63.9145.6-174.4-14.228.1000112.1S353P351-S353 PolarHBondContact O-N 3.23Å
352Q38.6Very low34.8Very low205 Ų205151 Ų15196%0.95878%0.777SS**THydrogen-bonded Turntrans-72.811-165.7-76.4-178.8-31.900116.5
353S43.8Very low34.7Very low77 Ų77151 Ų15154%0.53878%0.777SS.*THydrogen-bonded Turntrans-913.2177.253.90000114.9P351P351-S353 PolarHBondContact O-N 3.23Å
354K37.8Very low35Very low160 Ų160151.6 Ų151.670%0.69679%0.785SS**SBendtrans-129.684.9179-72.9177.4179.4170.60111.9
355R35.6Very low35Very low234 Ų234150.4 Ų150.488%0.88378%0.783SS**  trans176117.7153.1-98.9152.5-172-170.85.6111.3
356M39.9Very low34.8Very low148 Ų148147.3 Ų147.373%0.72978%0.776SS**  trans-113.5121140.5-161.916183.600107.3
357R34.2Very low35Very low209 Ų209146.2 Ų146.279%0.78977%0.771SS**  trans-78.4120.3167.3-99.5177.9166.6166.9-6.2106.6E359R357-E359 PolarHBondContact O-N 2.8Å
358T33Very low34.8Very low121 Ų121143 Ų14374%0.74276%0.761SS**  trans-8886171-39.20000108.6
359E32.5Very low35.3Very low148 Ų148142.8 Ų142.869%0.69277%0.765SS**  trans-127.7109.5162.4-70.9177-158.100104.9R357R357-E359 PolarHBondContact O-N 2.8Å
360D31.6Very low35.5Very low161 Ų161138.4 Ų138.486%0.86175%0.751SS**  trans135.271.4166.4-68.5-19.2000113.6
361I37.1Very low36Very low140 Ų140138.1 Ų138.172%0.71874%0.738SS**  trans-14091.2153.6-56.8-178.1000108.7
362D29.1Very low36.4Very low156 Ų156139.9 Ų139.983%0.83474%0.737SS**  trans-97.6111.3166.2-86.6-30.6000109.3
363N31.8Very low36.9Very low154 Ų154137.9 Ų137.982%0.82473%0.733SS**  trans153.4100.8144.6-82.1-36.6000110.9
364V34.3Very low37.7Very low149 Ų149138 Ų13890%0.90373%0.733SS**  trans-108.3116.5169.3179.50000109.5
365T31.2Very low39.2Very low127 Ų127131.7 Ų131.778%0.77971%0.706SS**PPolyproline II helixtrans-94.3148.9165-49.70000108.1
366S33.8Very low41.5Very low99 Ų99120.6 Ų120.669%0.69266%0.664SS**PPolyproline II helixtrans-48.6147.7-173.7-390000114.5S368S366-S368 PolarHBondContact O-N 3.22Å; S366-S368 VanDerWaalsContact O-N 3.12Å
367P34.4Very low43.9Very low110 Ų110117.4 Ų117.471%0.71465%0.648SS**PPolyproline II helixtrans-67116.4-176.928.9-32.9000109.4D371P367-D371 WeakPolarHBondContact CA-OD2 3.4Å; P367-D371 WeakPolarHBondContact CB-OD2 3.49Å
368S32.4Very low46.7Very low78 Ų78107.5 Ų107.555%0.54561%0.61SS.*PPolyproline II helixtrans-99.3161.8166.668.40000108.2S366 A370 D371S366-S368 PolarHBondContact O-N 3.22Å; S366-S368 VanDerWaalsContact O-N 3.12Å; S368-A370 PolarHBondContact O-N 3.16Å; S368-D371 PolarHBondContact O-N 2.68Å
369D41.1Very low49.6Very low166 Ų166102.5 Ų102.589%0.88858%0.58SS**G310 helixtrans-54.6-2.9179.3-66.7-39.1000114.8
370A39.1Very low52.4Low71 Ų7199.3 Ų99.359%0.58757%0.565SS**G310 helixtrans-76.1-11.8169.600000114.9S368 Q372S368-A370 PolarHBondContact O-N 3.16Å; A370-Q372 PolarHBondContact O-N 3.05Å
371D48.1Very low55.4Low76 Ų7692 Ų9241%0.40653%0.526SS..G310 helixtrans-72.4-7.8-178-86.8-17.8000114.3P367 S368 D373 C374P367-D371 WeakPolarHBondContact CA-OD2 3.4Å; P367-D371 WeakPolarHBondContact CB-OD2 3.49Å; S368-D371 PolarHBondContact O-N 2.68Å; D371-D373 VanDerWaalsContact C-N 3.27Å; D371-D373 PolarHBondContact O-N 2.98Å; D371-C374 WeakPolarHBondContact O-CB 3.35Å; D371-C374 PolarHBondContact O-N 3.02Å
372Q44.7Very low58.1Low148 Ų14886.9 Ų86.969%0.69250%0.503SS*.G310 helixtrans-71.8-23.3-179.3-147.5149.616.300112.7A370 C374 L375A370-Q372 PolarHBondContact O-N 3.05Å; Q372-C374 PolarHBondContact O-N 2.81Å; Q372-L375 HydrophobicContact CG-CD1 4.39Å
373D50Low61.3Low164 Ų16479.5 Ų79.588%0.87746%0.463SS*.G310 helixtrans-78.1-2.5173.4-86.4-16.2000113.5D371D371-D373 VanDerWaalsContact C-N 3.27Å; D371-D373 PolarHBondContact O-N 2.98Å
374C59.7Low64.4Low79 Ų7973 Ų7353%0.53443%0.427SS..G310 helixtrans-98.55.4-179.6-159.70000113.1D371 Q372 S533D371-C374 WeakPolarHBondContact O-CB 3.35Å; D371-C374 PolarHBondContact O-N 3.02Å; Q372-C374 PolarHBondContact O-N 2.81Å; C374-S533 WeakPolarHBondContact O-CB 3.26Å; C374-S533 PolarHBondContact O-OG 3.22Å
375L68.5Low67.3Low27 Ų2767.1 Ų67.114%0.14139%0.389CS..PPolyproline II helixtrans-75.1137.6-177.5-72.1170.7000112.1P214 Q372 H377 S533P214-L375 HydrophobicContact CG-CB 4.47Å; P214-L375 HydrophobicContact CG-CD1 4.46Å; Q372-L375 HydrophobicContact CG-CD1 4.39Å; L375-H377 PolarHBondContact O-N 3.03Å; L375-S533 VanDerWaalsContact C-OG 3.26Å; L375-S533 PolarHBondContact O-OG 2.94Å
376T84.8Confident70.3Confident1 Ų161 Ų611%0.00635%0.352CS..PPolyproline II helixtrans-55.2129.9174.6-71.50000110.5L314 L325 F531 S533L314-T376 HydrophobicContact CD2-CG2 4.18Å; L325-T376 WeakPolarHBondContact CA-OG1 3.4Å; L325-T376 HydrophobicContact CB-CG2 4.38Å; L325-T376 HydrophobicContact CD2-CG2 3.84Å; L325-T376 WeakPolarHBondContact O-CB 3.31Å; L325-T376 PolarHBondContact O-OG1 3Å; L325-T376 VanDerWaalsContact O-OG1 3.05Å; T376-F531 WeakPolarHBondContact CG2-O 3.36Å; T376-S533 PolarHBondContact N-OG 2.8Å
377H90.5Very high73.1Confident82 Ų8259.1 Ų59.138%0.3833%0.332SS..EExtended strand (participates in β ladder)trans-85.4154171-64.3-68.3000111.1K211 L375 F531K211-H377 HydrophobicContact CB-CB 3.99Å; K211-H377 HydrophobicContact CG-CB 4.46Å; L375-H377 PolarHBondContact O-N 3.03Å; H377-F531 PolarHBondContact N-O 3.48Å; H377-F531 PolarHBondContact O-N 2.62Å
378L93.6Very high75.8Confident0 Ų055.5 Ų55.50%031%0.306CS..EExtended strand (participates in β ladder)trans-135.1162.1179.152.4138.3000112K211 I212 P214 K309 I528 K529 Y530K211-L378 WeakPolarHBondContact CA-O 3.44Å; I212-L378 HydrophobicContact CD1-CD1 3.84Å; I212-L378 HydrophobicContact CD1-CG 4.19Å; I212-L378 HydrophobicContact CG1-CD1 4.22Å; I212-L378 HydrophobicContact CG1-CG 4.04Å; I212-L378 WeakPolarHBondContact CG1-O 3.37Å; I212-L378 PolarHBondContact N-O 3.43Å; I212-L378 PolarHBondContact O-N 3.25Å; P214-L378 HydrophobicContact CB-CD2 3.93Å; K309-L378 HydrophobicContact CB-CD1 4.47Å; K309-L378 HydrophobicContact CG-CD1 4.09Å; L378-I528 HydrophobicContact CB-CD1 4.1Å; L378-I528 HydrophobicContact CB-CG1 4.32Å; L378-I528 HydrophobicContact CD1-CD1 3.4Å; L378-I528 VanDerWaalsContact CD1-CD1 3.4Å; L378-I528 HydrophobicContact CD1-CG1 4.43Å; L378-I528 HydrophobicContact CG-CD1 4.35Å; L378-K529 CarbonylContact C-O 3.58Å; L378-K529 WeakPolarHBondContact CA-O 3.28Å; L378-K529 WeakPolarHBondContact CB-O 3.38Å; L378-Y530 HydrophobicContact CB-CD1 3.82Å; L378-Y530 HydrophobicContact CB-CE1 4.25Å
379T92.6Very high78.7Confident16 Ų1652.5 Ų52.510%0.09829%0.287CS..PPolyproline II helixtrans-76.5155.8165.1620000110.3I209 P381 K529 F531I209-T379 HydrophobicContact CG2-CG2 3.55Å; T379-P381 WeakPolarHBondContact O-CD 3.01Å; T379-K529 HydrophobicContact CG2-CB 4Å; T379-K529 HydrophobicContact CG2-CG 4.25Å; T379-K529 PolarHBondContact N-O 2.86Å; T379-K529 PolarHBondContact OG1-N 3.16Å; T379-F531 HydrophobicContact CG2-CE2 3.74Å; T379-F531 HydrophobicContact CG2-CZ 4.23Å
380E92Very high81.3Confident81 Ų8144.7 Ų44.738%0.37925%0.246SC..PPolyproline II helixtrans-57.2128.1169.6-168.664.4-155.600110.4I212 K309 C382I212-E380 WeakPolarHBondContact CD1-OE2 3.06Å; K309-E380 VanDerWaalsContact NZ-CD 3.25Å; K309-E380 IonicContact NZ-OE1 3.25Å; K309-E380 PolarHBondContact NZ-OE1 3.15Å; K309-E380 IonicContact NZ-OE2 3.83Å; K309-E380 PolarHBondContact NZ-OE2 2.78Å; E380-C382 PolarHBondContact O-N 2.95Å; E380-C382 VanDerWaalsContact O-N 3.16Å; E380-C382 PolarHBondContact O-SG 2.88Å
381P94.5Very high84Confident7 Ų741.6 Ų41.65%0.04522%0.219CC..PPolyproline II helixtrans-59.9120.2176.8-14.621000111.3I305 K309 T379 L526 I528I305-P381 HydrophobicContact CG2-CB 4.21Å; I305-P381 HydrophobicContact CG2-CG 4.15Å; K309-P381 HydrophobicContact CB-CG 3.96Å; T379-P381 WeakPolarHBondContact O-CD 3.01Å; P381-L526 HydrophobicContact CB-CD1 3.86Å; P381-I528 HydrophobicContact CB-CD1 4.26Å; P381-I528 HydrophobicContact CG-CD1 3.75Å
382C94Very high86.3Confident34 Ų3439 Ų3923%0.2321%0.206CC..EExtended strand (participates in β ladder)trans-101.9105.7-177.5-69.10000110.2E380 R384 L526 S527E380-C382 PolarHBondContact O-N 2.95Å; E380-C382 VanDerWaalsContact O-N 3.16Å; E380-C382 PolarHBondContact O-SG 2.88Å; C382-R384 HydrophobicContact CB-CG 4.26Å; C382-R384 PolarHBondContact O-N 3.41Å; C382-L526 WeakPolarHBondContact O-CA 3.22Å; C382-S527 PolarHBondContact N-O 3.16Å; C382-S527 PolarHBondContact O-N 3.01Å
383L96.7Very high88.6Confident1 Ų132.4 Ų32.41%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-81.2104.1171.6-176.570.7000109I267 W275 C288 L289 C301 I305 I412 D525 L526I267-L383 HydrophobicContact CD1-CD1 4.16Å; I267-L383 HydrophobicContact CD1-CD2 4.23Å; I267-L383 HydrophobicContact CG1-CD2 4.43Å; W275-L383 HydrophobicContact CH2-CD2 4.44Å; W275-L383 HydrophobicContact CH2-CG 4.5Å; C288-L383 CarbonylContact C-O 3.56Å; C288-L383 WeakPolarHBondContact CA-O 3.47Å; C288-L383 PolarHBondContact SG-O 3.01Å; C288-L383 VanDerWaalsContact SG-O 3.38Å; L289-L383 HydrophobicContact CB-CB 4.18Å; L289-L383 HydrophobicContact CB-CD2 4.04Å; L289-L383 HydrophobicContact CB-CG 4.41Å; L289-L383 HydrophobicContact CD2-CD2 3.64Å; L289-L383 HydrophobicContact CG-CD2 4.47Å; L289-L383 PolarHBondContact N-O 3.4Å; C301-L383 HydrophobicContact CB-CD2 4.22Å; I305-L383 HydrophobicContact CD1-CB 4.41Å; L383-I412 HydrophobicContact CD1-CD1 3.32Å; L383-D525 CarbonylContact C-O 3.6Å; L383-D525 WeakPolarHBondContact CA-O 3.19Å; L383-L526 HydrophobicContact CB-CD1 4.02Å; L383-L526 HydrophobicContact CD1-CB 4.25Å; L383-L526 HydrophobicContact CD1-CD1 4.39Å
384R96.5Very high90.5Very high16 Ų1626.7 Ų26.76%0.0614%0.144CC..EExtended strand (participates in β ladder)trans-98143.8-171.8-46.2-178.6-65-172.71.7111.5Y286 H287 C382 L386 F524 D525Y286-R384 HydrophobicContact CD2-CB 4.2Å; Y286-R384 HydrophobicContact CD2-CG 4.07Å; Y286-R384 HydrophobicContact CE2-CG 3.91Å; H287-R384 CarbonylContact O-C 3.48Å; H287-R384 VanDerWaalsContact O-CA 3.29Å; H287-R384 WeakPolarHBondContact O-CA 3.27Å; C382-R384 HydrophobicContact CB-CG 4.26Å; C382-R384 PolarHBondContact O-N 3.41Å; R384-L386 HydrophobicContact CB-CD2 3.86Å; R384-L386 HydrophobicContact CB-CG 4.44Å; R384-F524 WeakPolarHBondContact O-CA 3.38Å; R384-D525 WeakPolarHBondContact CB-OD1 3.33Å; R384-D525 IonicContact CZ-OD1 3.63Å; R384-D525 IonicContact CZ-OD2 3.7Å; R384-D525 PolarHBondContact N-O 3.31Å; R384-D525 IonicContact NE-OD1 2.86Å; R384-D525 PolarHBondContact NE-OD1 3.17Å; R384-D525 IonicContact NE-OD2 3.46Å; R384-D525 IonicContact NH2-OD1 3.78Å; R384-D525 PolarHBondContact NH2-OD1 2.93Å; R384-D525 IonicContact NH2-OD2 3.48Å; R384-D525 PolarHBondContact NH2-OD2 3.38Å; R384-D525 PolarHBondContact O-N 3.25Å
385K95.4Very high91.4Very high26 Ų2623.9 Ų23.911%0.11313%0.125CC..EExtended strand (participates in β ladder)trans-107.4112.7162.3175.3-179.4-177.3179.50107.7W275 H287 Q522 L523 F524W275-K385 HydrophobicContact CD2-CB 3.85Å; W275-K385 HydrophobicContact CD2-CD 3.96Å; W275-K385 HydrophobicContact CE3-CB 3.43Å; W275-K385 VanDerWaalsContact CE3-CB 3.43Å; W275-K385 HydrophobicContact CE3-CD 4.42Å; W275-K385 HydrophobicContact CG-CD 4.13Å; W275-K385 HydrophobicContact CH2-CB 3.94Å; W275-K385 HydrophobicContact CZ2-CB 4.3Å; W275-K385 HydrophobicContact CZ3-CB 3.49Å; W275-K385 VanDerWaalsContact CZ3-CB 3.49Å; H287-K385 HydrophobicContact CB-CB 4.36Å; H287-K385 PolarHBondContact N-O 3.08Å; H287-K385 PolarHBondContact O-N 3.26Å; K385-Q522 VanDerWaalsContact CE-CD 3.47Å; K385-Q522 VanDerWaalsContact NZ-NE2 3.18Å; K385-L523 WeakPolarHBondContact CA-O 3.34Å; K385-F524 HydrophobicContact CB-CD1 4.02Å; K385-F524 HydrophobicContact CB-CE1 3.86Å; K385-F524 HydrophobicContact CD-CE1 3.97Å; K385-F524 HydrophobicContact CG-CD1 4.2Å; K385-F524 HydrophobicContact CG-CE1 3.64Å; K385-F524 HydrophobicContact CG-CZ 4.36Å
386L94.6Very high91.5Very high0 Ų028.3 Ų28.30%015%0.149CC..EExtended strand (participates in β ladder)trans-103.8145.9177.2-41.5176.1000109.5Y286 R384 L476 I479 L523 D525Y286-L386 HydrophobicContact CG-CD2 4.31Å; R384-L386 HydrophobicContact CB-CD2 3.86Å; R384-L386 HydrophobicContact CB-CG 4.44Å; L386-L476 HydrophobicContact CD1-CD1 4.03Å; L386-L476 HydrophobicContact CD1-CD2 3.76Å; L386-L476 HydrophobicContact CD2-CD2 3.73Å; L386-L476 HydrophobicContact CG-CD2 4.31Å; L386-I479 HydrophobicContact CB-CD1 3.78Å; L386-I479 HydrophobicContact CD1-CD1 4.4Å; L386-L523 HydrophobicContact CB-CB 4.13Å; L386-L523 HydrophobicContact CB-CD1 4.49Å; L386-L523 PolarHBondContact N-O 3.35Å; L386-L523 PolarHBondContact O-N 2.8Å; L386-D525 WeakPolarHBondContact CD1-OD2 3.33Å
387Q91.5Very high90.6Very high58 Ų5829.6 Ų29.627%0.27116%0.16SC..  trans-150-179.3178.860.5-177.227.300109.2G389 S390 I479Q387-G389 PolarHBondContact O-N 3.14Å; Q387-S390 PolarHBondContact N-OG 3.03Å; Q387-S390 VanDerWaalsContact N-OG 3.08Å; Q387-S390 WeakPolarHBondContact O-CB 3.3Å; Q387-S390 PolarHBondContact O-N 3.3Å; Q387-S390 PolarHBondContact O-OG 3.25Å; Q387-S390 VanDerWaalsContact O-OG 3.12Å; Q387-I479 WeakPolarHBondContact O-CB 3.17Å
388Q91.4Very high89.5Confident35 Ų3527.2 Ų27.216%0.16415%0.15CC..THydrogen-bonded Turntrans-54135.2170.7-68173.9-13.100110.6S390 I479 Y481 L520Q388-S390 VanDerWaalsContact C-N 3.34Å; Q388-I479 CarbonylContact C-O 3.56Å; Q388-I479 WeakPolarHBondContact CA-O 3.28Å; Q388-Y481 PolarHBondContact NE2-O 3.49Å; Q388-L520 VanDerWaalsContact OE1-CD2 3.32Å
389G93.4Very high88.3Confident15 Ų1528.8 Ų28.816%0.15516%0.158CC..THydrogen-bonded Turntrans88.3-7.7-172.300000114.5N285 Q387 Y391 Y478 I479N285-G389 PolarHBondContact ND2-O 2.8Å; Q387-G389 PolarHBondContact O-N 3.14Å; G389-Y391 VanDerWaalsContact O-CD1 3.23Å; G389-Y391 WeakPolarHBondContact O-CD1 3.39Å; G389-Y478 VanDerWaalsContact CA-CE2 3.49Å; G389-I479 PolarHBondContact N-O 3.42Å
390S95.5Very high86.8Confident2 Ų232.3 Ų32.31%0.01419%0.188CC..  trans-78.1141.5-179.7-640000113.3N285 Q387 Q388 Y478 I479N285-S390 CarbonylContact O-C 3.55Å; N285-S390 WeakPolarHBondContact O-CA 3.49Å; N285-S390 WeakPolarHBondContact O-CB 3.41Å; Q387-S390 PolarHBondContact N-OG 3.03Å; Q387-S390 VanDerWaalsContact N-OG 3.08Å; Q387-S390 WeakPolarHBondContact O-CB 3.3Å; Q387-S390 PolarHBondContact O-N 3.3Å; Q387-S390 PolarHBondContact O-OG 3.25Å; Q387-S390 VanDerWaalsContact O-OG 3.12Å; Q388-S390 VanDerWaalsContact C-N 3.34Å; S390-Y478 WeakPolarHBondContact O-CA 3.5Å; S390-I479 PolarHBondContact O-N 2.96Å
391Y96.1Very high85.3Confident6 Ų632.2 Ų32.22%0.02419%0.191CC..EExtended strand (participates in β ladder)trans-162.7167.817961.5-92.2000112.5L100 P281 R284 N285 G389 L393 L476 Y478L100-Y391 HydrophobicContact CD1-CD1 3.84Å; L100-Y391 HydrophobicContact CD1-CD2 3.66Å; L100-Y391 HydrophobicContact CD1-CE1 4.11Å; L100-Y391 HydrophobicContact CD1-CE2 3.96Å; L100-Y391 HydrophobicContact CD1-CG 3.59Å; L100-Y391 HydrophobicContact CD2-CD1 4.11Å; L100-Y391 HydrophobicContact CD2-CE1 3.89Å; L100-Y391 HydrophobicContact CG-CE1 4.48Å; P281-Y391 VanDerWaalsContact O-CE2 3.26Å; P281-Y391 WeakPolarHBondContact O-CE2 3.43Å; P281-Y391 PolarHBondContact O-OH 2.98Å; R284-Y391 WeakPolarHBondContact CA-O 3.49Å; N285-Y391 HydrophobicContact CB-CD1 3.65Å; N285-Y391 HydrophobicContact CB-CD2 4.47Å; N285-Y391 HydrophobicContact CB-CE1 3.27Å; N285-Y391 HydrophobicContact CB-CE2 4.14Å; N285-Y391 HydrophobicContact CB-CG 4.25Å; N285-Y391 PolarHBondContact N-O 2.8Å; N285-Y391 PolarHBondContact O-N 3.04Å; G389-Y391 VanDerWaalsContact O-CD1 3.23Å; G389-Y391 WeakPolarHBondContact O-CD1 3.39Å; Y391-L393 HydrophobicContact CD2-CD1 4.37Å; Y391-L393 HydrophobicContact CD2-CD2 4.06Å; Y391-L393 HydrophobicContact CD2-CG 3.79Å; Y391-L393 HydrophobicContact CE2-CD1 3.91Å; Y391-L393 HydrophobicContact CE2-CD2 4.39Å; Y391-L393 HydrophobicContact CE2-CG 3.81Å; Y391-L476 WeakPolarHBondContact CA-O 3.42Å; Y391-Y478 AromaticContact CD1-CD2 3.66Å; Y391-Y478 HydrophobicContact CD1-CD2 3.66Å; Y391-Y478 HydrophobicContact CD1-CE2 4.15Å; Y391-Y478 HydrophobicContact CE1-CD2 4.45Å; Y391-Y478 HydrophobicContact CG-CD2 4.27Å
392T95.6Very high84.1Confident21 Ų2132.7 Ų32.713%0.12919%0.192CC..EExtended strand (participates in β ladder)trans-129.515315569.30000109.3R283 R284 Y286 F475 L476R283-T392 CarbonylContact O-C 3.45Å; R283-T392 WeakPolarHBondContact O-CA 3.44Å; R284-T392 HydrophobicContact CB-CG2 4.08Å; Y286-T392 HydrophobicContact CD1-CG2 3.98Å; Y286-T392 HydrophobicContact CE1-CG2 3.72Å; T392-F475 WeakPolarHBondContact OG1-CA 3.41Å; T392-L476 HydrophobicContact CG2-CB 4.11Å; T392-L476 PolarHBondContact N-O 2.95Å; T392-L476 PolarHBondContact OG1-N 3.23Å
393L93.7Very high83.7Confident9 Ų932.7 Ų32.75%0.04720%0.198CC..  trans-116.2152.6177.9-60.6179.7000109.1D29 L30 L100 R283 Y391D29-L393 VanDerWaalsContact C-CD2 3.49Å; D29-L393 HydrophobicContact CB-CD2 4.15Å; D29-L393 VanDerWaalsContact O-CD2 3.24Å; D29-L393 WeakPolarHBondContact O-CD2 3.28Å; D29-L393 WeakPolarHBondContact OD2-CA 3.24Å; L30-L393 HydrophobicContact CB-CD2 4.42Å; L30-L393 HydrophobicContact CD1-CD1 3.83Å; L30-L393 HydrophobicContact CD1-CD2 4.38Å; L100-L393 HydrophobicContact CB-CD1 4.34Å; L100-L393 HydrophobicContact CD1-CD2 3.77Å; R283-L393 PolarHBondContact O-N 2.95Å; Y391-L393 HydrophobicContact CD2-CD1 4.37Å; Y391-L393 HydrophobicContact CD2-CD2 4.06Å; Y391-L393 HydrophobicContact CD2-CG 3.79Å; Y391-L393 HydrophobicContact CE2-CD1 3.91Å; Y391-L393 HydrophobicContact CE2-CD2 4.39Å; Y391-L393 HydrophobicContact CE2-CG 3.81Å
394L89.6Confident83.4Confident44 Ų4437.2 Ų37.223%0.2322%0.215CC..  trans-75.3148.9169.7-59.6175.7000109.2D29 V445 A473 F475D29-L394 HydrophobicContact CB-CG 4.4Å; D29-L394 PolarHBondContact OD2-N 3.29Å; L394-V445 HydrophobicContact CD1-CG2 3.45Å; L394-V445 VanDerWaalsContact CD1-CG2 3.45Å; L394-A473 HydrophobicContact CD2-CB 3.67Å; L394-F475 HydrophobicContact CD1-CD1 3.91Å; L394-F475 HydrophobicContact CD1-CE1 4.33Å; L394-F475 HydrophobicContact CD2-CB 4.03Å; L394-F475 HydrophobicContact CD2-CD1 4.05Å; L394-F475 HydrophobicContact CG-CB 4.23Å; L394-F475 HydrophobicContact CG-CD1 3.91Å; L394-F475 HydrophobicContact CG-CG 4.4Å
395S79.3Confident83.3Confident20 Ų2036.6 Ų36.614%0.1421%0.213CC..  trans-140.8155.6171.968.70000110R283 A397 D398 M399R283-S395 PolarHBondContact NH1-OG 2.84Å; R283-S395 PolarHBondContact NH2-OG 2.88Å; S395-A397 PolarHBondContact O-N 2.92Å; S395-A397 VanDerWaalsContact O-N 3.16Å; S395-D398 PolarHBondContact N-OD2 2.99Å; S395-D398 WeakPolarHBondContact O-CA 3.4Å; S395-D398 WeakPolarHBondContact O-CB 3.47Å; S395-D398 PolarHBondContact O-N 2.82Å; S395-D398 PolarHBondContact OG-N 3.03Å; S395-D398 PolarHBondContact OG-OD2 2.99Å; S395-M399 PolarHBondContact O-N 2.75Å
396D69.9Low83.3Confident121 Ų12135.4 Ų35.465%0.64721%0.207SC*.Hα-helixtrans-55.4-37.3-178.5-55.8-22.2000111.8D398 M399 A400D396-D398 VanDerWaalsContact C-N 3.32Å; D396-D398 PolarHBondContact O-N 2.82Å; D396-M399 PolarHBondContact O-N 3.24Å; D396-M399 VanDerWaalsContact O-N 3.12Å; D396-A400 WeakPolarHBondContact O-CB 3.35Å; D396-A400 PolarHBondContact O-N 3.49Å
397A66.6Low83.4Confident27 Ų2735.8 Ų35.822%0.22321%0.209CC..Hα-helixtrans-68.2-29.217600000113.3M206 S395 M399M206-A397 HydrophobicContact CB-CB 4.34Å; S395-A397 PolarHBondContact O-N 2.92Å; S395-A397 VanDerWaalsContact O-N 3.16Å; A397-M399 PolarHBondContact O-N 2.73Å
398D67.8Low83.7Confident33 Ų3333 Ų3318%0.17620%0.197CC..Hα-helixtrans-72.4-22.2174.5-58.3-39.7000111.4R283 S395 D396 Q402R283-D398 IonicContact NH1-OD1 3.95Å; R283-D398 PolarHBondContact NH1-OD1 3.39Å; R283-D398 IonicContact NH1-OD2 3.96Å; S395-D398 PolarHBondContact N-OD2 2.99Å; S395-D398 WeakPolarHBondContact O-CA 3.4Å; S395-D398 WeakPolarHBondContact O-CB 3.47Å; S395-D398 PolarHBondContact O-N 2.82Å; S395-D398 PolarHBondContact OG-N 3.03Å; S395-D398 PolarHBondContact OG-OD2 2.99Å; D396-D398 VanDerWaalsContact C-N 3.32Å; D396-D398 PolarHBondContact O-N 2.82Å; D398-Q402 WeakPolarHBondContact O-CG 3.23Å
399M67.8Low83.9Confident33 Ų3331.7 Ų31.716%0.16319%0.19CC..Hα-helixtrans-86.7-38.9176.2-58.7-60.5-68.900112.5S395 D396 A397 D447 A473S395-M399 PolarHBondContact O-N 2.75Å; D396-M399 PolarHBondContact O-N 3.24Å; D396-M399 VanDerWaalsContact O-N 3.12Å; A397-M399 PolarHBondContact O-N 2.73Å; M399-D447 VanDerWaalsContact CE-CA 3.46Å; M399-D447 HydrophobicContact CE-CB 3.44Å; M399-D447 VanDerWaalsContact CE-CB 3.44Å; M399-A473 HydrophobicContact CE-CB 4.35Å; M399-A473 HydrophobicContact SD-CB 3.19Å; M399-A473 WeakPolarHBondContact SD-CB 3.39Å
400A61Low84.1Confident90 Ų9031 Ų3174%0.74418%0.183SC*.Hα-helixtrans-78.2-28.5-168.800000115.3D396D396-A400 WeakPolarHBondContact O-CB 3.35Å; D396-A400 PolarHBondContact O-N 3.49Å
401D59.5Low84.2Confident79 Ų7931 Ų3142%0.42218%0.183SC..THydrogen-bonded Turntrans-121.449.5-171.5-172.826.6000113.3S208S208-D401 WeakPolarHBondContact CB-OD2 3.49Å
402Q71Confident84.2Confident17 Ų1730.8 Ų30.88%0.07918%0.182CC..  trans-120.2111.6176.3-56.7-64.8-38.500111.3D398 P470D398-Q402 WeakPolarHBondContact O-CG 3.23Å; Q402-P470 VanDerWaalsContact O-CA 3.3Å; Q402-P470 WeakPolarHBondContact O-CA 3.21Å
403G83.8Confident84.1Confident34 Ų3431.6 Ų31.635%0.35118%0.184SC..  trans-72.4-179.5162.500000112R405G403-R405 PolarHBondContact O-N 2.89Å
404W91.5Very high83.9Confident96 Ų9631.9 Ų31.936%0.36419%0.189SC..SBendtrans-57.1131.6168.8-72.798.6000110.8Y467 G469 E532W404-Y467 HydrophobicContact CB-CE2 4.42Å; W404-Y467 HydrophobicContact CD2-CE1 4.38Å; W404-Y467 HydrophobicContact CE3-CD1 4.08Å; W404-Y467 AromaticContact CE3-CE1 3.37Å; W404-Y467 HydrophobicContact CE3-CE1 3.37Å; W404-Y467 HydrophobicContact CE3-CE2 4.09Å; W404-Y467 AromaticContact CE3-CZ 3.38Å; W404-Y467 AromaticContact CZ3-CD1 3.99Å; W404-Y467 HydrophobicContact CZ3-CD1 3.99Å; W404-Y467 AromaticContact CZ3-CE1 3.52Å; W404-Y467 HydrophobicContact CZ3-CE1 3.52Å; W404-G469 VanDerWaalsContact CE3-CA 3.47Å; W404-E532 HydrophobicContact CB-CB 4.38Å; W404-E532 PolarHBondContact O-N 3.37Å; W404-E532 VanDerWaalsContact O-N 3.14Å
405R93.5Very high83.8Confident2 Ų230.4 Ų30.41%0.00818%0.181CC..EExtended strand (participates in β ladder)trans-152.2149.6-175.469.1-167.6-172.1-81.52.3112.7G403 E407 Y467 A468 G469 T472 Y530 F531G403-R405 PolarHBondContact O-N 2.89Å; R405-E407 HydrophobicContact CG-CG 4.24Å; R405-E407 IonicContact CZ-OE1 3.54Å; R405-E407 VanDerWaalsContact CZ-OE1 3.28Å; R405-E407 IonicContact NE-OE1 3.22Å; R405-E407 PolarHBondContact NE-OE1 3.17Å; R405-E407 IonicContact NH2-OE1 3.82Å; R405-E407 PolarHBondContact NH2-OE1 3.28Å; R405-Y467 VanDerWaalsContact O-CD2 3.28Å; R405-Y467 WeakPolarHBondContact O-CD2 3.26Å; R405-A468 HydrophobicContact CG-CB 4.2Å; R405-A468 PolarHBondContact N-O 2.88Å; R405-A468 PolarHBondContact O-N 2.88Å; R405-G469 PolarHBondContact NH1-O 2.85Å; R405-T472 PolarHBondContact NH1-O 3.43Å; R405-T472 PolarHBondContact NH2-O 3.25Å; R405-Y530 CarbonylContact C-O 3.53Å; R405-Y530 WeakPolarHBondContact CA-O 3.31Å; R405-Y530 VanDerWaalsContact CB-O 3.32Å; R405-Y530 WeakPolarHBondContact CB-O 3.48Å; R405-F531 HydrophobicContact CB-CD1 3.83Å; R405-F531 HydrophobicContact CB-CE1 4.12Å; R405-F531 HydrophobicContact CB-CG 4.4Å
406L96.2Very high83.2Confident1 Ų131.1 Ų31.11%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-96.8109.5167.3-17467000108.9F243 L317 T321 I323 L325 L465 Y530F243-L406 HydrophobicContact CE1-CD1 4.45Å; F243-L406 HydrophobicContact CE2-CD1 4.26Å; F243-L406 HydrophobicContact CZ-CD1 3.58Å; L317-L406 HydrophobicContact CB-CD2 4.11Å; L317-L406 HydrophobicContact CD1-CD2 4.27Å; L317-L406 HydrophobicContact CD2-CD2 4.34Å; L317-L406 HydrophobicContact CG-CD2 4.48Å; T321-L406 HydrophobicContact CG2-CD1 4.03Å; T321-L406 HydrophobicContact CG2-CD2 3.82Å; I323-L406 HydrophobicContact CD1-CD1 4.12Å; L325-L406 HydrophobicContact CD1-CD2 3.84Å; L406-L465 HydrophobicContact CD1-CB 4.19Å; L406-L465 HydrophobicContact CD2-CD2 4.46Å; L406-Y530 PolarHBondContact N-O 3.34Å; L406-Y530 PolarHBondContact O-N 3.29Å
407E96Very high82.4Confident8 Ų828.6 Ų28.64%0.03718%0.178CC..EExtended strand (participates in β ladder)trans-83.3132.4171.3-60.8-160.1169.500110.1R405 Y444 L465 V466 S474 K529R405-E407 HydrophobicContact CG-CG 4.24Å; R405-E407 IonicContact CZ-OE1 3.54Å; R405-E407 VanDerWaalsContact CZ-OE1 3.28Å; R405-E407 IonicContact NE-OE1 3.22Å; R405-E407 PolarHBondContact NE-OE1 3.17Å; R405-E407 IonicContact NH2-OE1 3.82Å; R405-E407 PolarHBondContact NH2-OE1 3.28Å; E407-Y444 HydrophobicContact CG-CE1 4.49Å; E407-Y444 WeakPolarHBondContact OE2-CE1 3.36Å; E407-Y444 VanDerWaalsContact OE2-CZ 3.31Å; E407-Y444 PolarHBondContact OE2-OH 2.8Å; E407-L465 WeakPolarHBondContact O-CA 3.48Å; E407-V466 PolarHBondContact N-O 3.34Å; E407-V466 PolarHBondContact O-N 3.31Å; E407-S474 PolarHBondContact OE1-OG 3.37Å; E407-S474 PolarHBondContact OE2-OG 3.08Å; E407-K529 HydrophobicContact CG-CD 4.08Å; E407-K529 HydrophobicContact CG-CG 4.09Å; E407-K529 VanDerWaalsContact OE1-CE 3.3Å; E407-K529 WeakPolarHBondContact OE1-CE 3.43Å; E407-K529 IonicContact OE1-NZ 3.76Å; E407-K529 PolarHBondContact OE1-NZ 3.11Å
408C97.5Very high81.4Confident1 Ų135.6 Ų35.61%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-131.4121.1-170.3176.20000109.7L463 T464 L465 I528 Y530C408-L463 VanDerWaalsContact SG-CD1 3.51Å; C408-T464 WeakPolarHBondContact CA-O 3.41Å; C408-L465 HydrophobicContact CB-CD2 3.83Å; C408-I528 HydrophobicContact CB-CG2 3.76Å; C408-I528 WeakPolarHBondContact CB-O 3.49Å; C408-I528 PolarHBondContact N-O 2.85Å; C408-I528 PolarHBondContact O-N 3.46Å; C408-I528 VanDerWaalsContact O-O 3.13Å; C408-Y530 HydrophobicContact CB-CD2 4.16Å; C408-Y530 HydrophobicContact CB-CE2 3.65Å
409L97.1Very high79.7Confident6 Ų643.2 Ų43.23%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-128.7106.3-175.8-68.2171.8000109.7T442 T464 L526 S527L409-T442 HydrophobicContact CD1-CG2 4.09Å; L409-T464 PolarHBondContact N-O 3.25Å; L409-T464 PolarHBondContact O-N 3.5Å; L409-L526 WeakPolarHBondContact CA-O 3.5Å; L409-S527 WeakPolarHBondContact CD2-OG 3.43Å
410L97.8Very high78.1Confident1 Ų148.8 Ų48.81%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-90.1105.7170.3177.967.9000109.1F254 I255 I304 F308 I412 L463 D525 L526F254-L410 HydrophobicContact CB-CD1 4.36Å; F254-L410 HydrophobicContact CD1-CD1 4.32Å; I255-L410 HydrophobicContact CD1-CD2 4.25Å; I255-L410 HydrophobicContact CG1-CD1 4.23Å; I255-L410 HydrophobicContact CG1-CD2 4Å; I304-L410 HydrophobicContact CD1-CD2 4.22Å; I304-L410 HydrophobicContact CG1-CD2 4.3Å; F308-L410 HydrophobicContact CE1-CB 4.23Å; F308-L410 HydrophobicContact CE2-CD2 3.92Å; F308-L410 HydrophobicContact CZ-CB 3.99Å; F308-L410 HydrophobicContact CZ-CD2 3.78Å; F308-L410 HydrophobicContact CZ-CG 4.33Å; L410-I412 HydrophobicContact CD2-CG1 4.09Å; L410-I412 HydrophobicContact CG-CG1 4.06Å; L410-I412 PolarHBondContact O-N 2.75Å; L410-L463 HydrophobicContact CB-CD1 3.97Å; L410-L463 HydrophobicContact CD1-CB 4.3Å; L410-L463 HydrophobicContact CD1-CD1 4.39Å; L410-D525 CarbonylContact O-C 3.53Å; L410-D525 WeakPolarHBondContact O-CA 3.44Å; L410-D525 VanDerWaalsContact O-CB 3.29Å; L410-D525 WeakPolarHBondContact O-CB 3.27Å; L410-L526 HydrophobicContact CB-CB 4.23Å; L410-L526 PolarHBondContact N-O 3.2Å; L410-L526 PolarHBondContact O-N 2.95Å
411H96.4Very high76.9Confident1 Ų150.9 Ų50.91%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-78.5104.4174.6-59.395.4000108.9Y415 P458 S459 N461 A462 T464H411-Y415 HydrophobicContact CB-CD2 3.82Å; H411-Y415 HydrophobicContact CB-CE2 3.8Å; H411-Y415 AromaticContact CD2-CE2 3.97Å; H411-Y415 AromaticContact CD2-CZ 3.85Å; H411-P458 WeakPolarHBondContact CD2-CB 3.39Å; H411-P458 WeakPolarHBondContact NE2-CB 3.48Å; H411-S459 WeakPolarHBondContact CB-O 3.36Å; H411-N461 VanDerWaalsContact O-CA 3.32Å; H411-N461 WeakPolarHBondContact O-CA 3.42Å; H411-N461 PolarHBondContact O-N 3.27Å; H411-A462 PolarHBondContact N-O 2.78Å; H411-A462 PolarHBondContact ND1-O 3.07Å; H411-A462 PolarHBondContact O-N 3.29Å; H411-T464 PolarHBondContact CE1-OG1 3.42Å
412I96.7Very high75.6Confident2 Ų255.3 Ų55.31%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-82.1-54.2-171.1-61.6164.3000110.1W260 L263 V264 I267 L383 L410 F524 L526W260-I412 PolarHBondContact NE1-O 3.3Å; L263-I412 HydrophobicContact CD2-CD1 4.19Å; L263-I412 HydrophobicContact CD2-CG1 4.36Å; L263-I412 HydrophobicContact CD2-CG2 3.92Å; L263-I412 HydrophobicContact CG-CG2 4.29Å; V264-I412 HydrophobicContact CG2-CG2 3.99Å; I267-I412 HydrophobicContact CD1-CD1 3.98Å; I267-I412 HydrophobicContact CD1-CG2 4.1Å; L383-I412 HydrophobicContact CD1-CD1 3.32Å; L410-I412 HydrophobicContact CD2-CG1 4.09Å; L410-I412 HydrophobicContact CG-CG1 4.06Å; L410-I412 PolarHBondContact O-N 2.75Å; I412-F524 WeakPolarHBondContact CA-O 3.46Å; I412-F524 HydrophobicContact CB-CB 4.33Å; I412-F524 WeakPolarHBondContact CB-O 2.88Å; I412-F524 PolarHBondContact N-O 2.9Å; I412-L526 HydrophobicContact CD1-CB 4.33Å
413H94Very high73.9Confident38 Ų3863 Ų6318%0.17631%0.311CS..EExtended strand (participates in β ladder)trans-159.4151-173.8-174.167.5000114V264 K268 D460 L523 F524V264-H413 HydrophobicContact CG1-CB 4.2Å; V264-H413 HydrophobicContact CG2-CB 3.83Å; K268-H413 WeakPolarHBondContact CE-CD2 3.26Å; K268-H413 WeakPolarHBondContact CE-NE2 3.42Å; K268-H413 PolarHBondContact NZ-NE2 3.41Å; H413-D460 VanDerWaalsContact C-OD1 3.23Å; H413-D460 VanDerWaalsContact CA-OD1 3.27Å; H413-D460 WeakPolarHBondContact CA-OD1 3.5Å; H413-D460 IonicContact ND1-OD2 3.96Å; H413-L523 CarbonylContact O-C 3.53Å; H413-L523 WeakPolarHBondContact O-CA 3.24Å; H413-F524 HydrophobicContact CB-CD2 4.33Å; H413-F524 PolarHBondContact N-O 3.46Å; H413-F524 VanDerWaalsContact N-O 3.1Å; H413-F524 PolarHBondContact O-N 3.07Å
414G89.3Confident71.2Confident15 Ų1571.7 Ų71.716%0.15534%0.34CS..SBendtrans106.1-5.917000000113.7D460 L523G414-D460 PolarHBondContact N-OD1 2.99Å; G414-L523 WeakPolarHBondContact O-CD2 3.36Å
415Y86.4Confident68.4Low13 Ų1372.5 Ų72.55%0.05136%0.355CS..  trans-92.6-10.4-174.3-55.2-80.8000113.4H411 L417 P458 D460 L523 F524 D525H411-Y415 HydrophobicContact CB-CD2 3.82Å; H411-Y415 HydrophobicContact CB-CE2 3.8Å; H411-Y415 AromaticContact CD2-CE2 3.97Å; H411-Y415 AromaticContact CD2-CZ 3.85Å; Y415-L417 PolarHBondContact O-N 2.74Å; Y415-P458 HydrophobicContact CD1-CB 3.27Å; Y415-P458 HydrophobicContact CD1-CG 3.17Å; Y415-P458 HydrophobicContact CD2-CB 4.3Å; Y415-P458 HydrophobicContact CE1-CB 3.64Å; Y415-P458 HydrophobicContact CE1-CG 3.71Å; Y415-P458 HydrophobicContact CG-CB 3.6Å; Y415-P458 HydrophobicContact CG-CG 3.88Å; Y415-D460 PolarHBondContact N-OD1 3.01Å; Y415-L523 HydrophobicContact CD1-CD1 4.06Å; Y415-L523 HydrophobicContact CD1-CD2 4.28Å; Y415-L523 HydrophobicContact CE1-CB 3.9Å; Y415-L523 HydrophobicContact CE1-CD1 3.65Å; Y415-L523 HydrophobicContact CE1-CD2 4.44Å; Y415-L523 HydrophobicContact CE1-CG 4.22Å; Y415-L523 HydrophobicContact CE2-CB 4.24Å; Y415-F524 WeakPolarHBondContact CE2-O 3.43Å; Y415-D525 HydrophobicContact CE2-CB 4.48Å; Y415-D525 WeakPolarHBondContact OH-CB 3.45Å; Y415-D525 PolarHBondContact OH-OD2 3.34Å
416G67.9Low65.2Low35 Ų3581 Ų8136%0.36140%0.395SS..  trans-65113.3178.500000113.6K418 D460G416-K418 PolarHBondContact O-N 3.16Å; G416-D460 PolarHBondContact N-OD2 2.68Å
417L53.5Low62.1Low68 Ų6888.2 Ų88.236%0.35643%0.433SS..  trans-66112.5166.6-72.5179.9000110.5Y415 Y419 F438 N484Y415-L417 PolarHBondContact O-N 2.74Å; L417-Y419 VanDerWaalsContact C-N 3.33Å; L417-Y419 HydrophobicContact CB-CD2 4.14Å; L417-Y419 HydrophobicContact CB-CE2 4.48Å; L417-Y419 HydrophobicContact CD1-CD2 4.11Å; L417-Y419 HydrophobicContact CD1-CE2 3.62Å; L417-Y419 PolarHBondContact O-N 2.6Å; L417-Y419 VanDerWaalsContact O-N 3.13Å; L417-F438 HydrophobicContact CD1-CD1 3.93Å; L417-F438 HydrophobicContact CD1-CE1 3.28Å; L417-F438 HydrophobicContact CD1-CZ 4.07Å; L417-F438 HydrophobicContact CG-CD1 4.3Å; L417-F438 HydrophobicContact CG-CE1 4.11Å; L417-N484 WeakPolarHBondContact CD2-ND2 3.22Å
418K45.7Very low58.7Low175 Ų17596.3 Ų96.376%0.76147%0.471SS*.  trans-78.887.7157.5-71.5-171.5179.6-177.70108.4G416 H420 F486G416-K418 PolarHBondContact O-N 3.16Å; K418-H420 PolarHBondContact O-N 2.74Å; K418-H420 VanDerWaalsContact O-N 3.12Å; K418-F486 HydrophobicContact CB-CE1 4.44Å
419Y32Very low55.3Low192 Ų19299.7 Ų99.775%0.75351%0.506SS*.  trans-60.8112.7165.4-100-84.2000109.1L417 N421L417-Y419 VanDerWaalsContact C-N 3.33Å; L417-Y419 HydrophobicContact CB-CD2 4.14Å; L417-Y419 HydrophobicContact CB-CE2 4.48Å; L417-Y419 HydrophobicContact CD1-CD2 4.11Å; L417-Y419 HydrophobicContact CD1-CE2 3.62Å; L417-Y419 PolarHBondContact O-N 2.6Å; L417-Y419 VanDerWaalsContact O-N 3.13Å; Y419-N421 PolarHBondContact O-N 2.93Å
420H32.5Very low51.9Low151 Ų151106.8 Ų106.870%0.69954%0.543SS*.  trans-8497.7162.7-130.4-72.2000107.3K418K418-H420 PolarHBondContact O-N 2.74Å; K418-H420 VanDerWaalsContact O-N 3.12Å
421N35.9Very low48.4Very low134 Ų134114 Ų11472%0.71758%0.581SS**  trans157.9103.7139.5-79.2-25.2000111.2Y419 K423Y419-N421 PolarHBondContact O-N 2.93Å; N421-K423 PolarHBondContact O-N 3.32Å
422D32.2Very low45Very low172 Ų172119.7 Ų119.792%0.9262%0.621SS**  trans-5589.7146.2-82.6-39.2000109.1
423K35.7Very low41.7Very low177 Ų177127.8 Ų127.877%0.7766%0.659SS**  trans-167104.7152.6-103.6160.6-166.8-175.40108.2N421 T425N421-K423 PolarHBondContact O-N 3.32Å; K423-T425 VanDerWaalsContact C-N 3.34Å; K423-T425 PolarHBondContact O-N 3.15Å
424K27.9Very low38.5Very low218 Ų218131.4 Ų131.495%0.94869%0.688SS**  trans-51.5100.3157.2-78.5178.4173.2177.50108.4
425T32.5Very low35.7Very low112 Ų112136.5 Ų136.569%0.68771%0.712SS**  trans-125.2113157.629.50000107.4K423 L427K423-T425 VanDerWaalsContact C-N 3.34Å; K423-T425 PolarHBondContact O-N 3.15Å; T425-L427 PolarHBondContact O-N 2.71Å
426Q27.1Very low33.4Very low182 Ų182139.8 Ų139.885%0.8574%0.737SS**  trans-47.4120.9166.1-70.1170.5-7.600109.2
427L29.8Very low32.6Very low152 Ų152139.8 Ų139.880%0.79673%0.731SS**  trans-112.289.7158.6-86.8156.2000106.4T425T425-L427 PolarHBondContact O-N 2.71Å
428Q25Very low32.8Very low177 Ų177139.9 Ų139.983%0.82773%0.729SS**  trans-67.6134.1153.9-79.5177.8-11.400108
429G25Very low34.1Very low73 Ų73132.4 Ų132.475%0.75370%0.698SS**  trans81.868.6154.400000117.2
430I26.3Very low36.5Very low155 Ų155123.3 Ų123.380%0.79566%0.664SS**  trans-136.7120.7147.6-57.7-179.5000107
431N24.7Very low39.3Very low152 Ų152117.2 Ų117.281%0.81364%0.635SS**  trans-51.6140.8-179.1-66.8-22.3000112.2Q433N431-Q433 PolarHBondContact O-N 3.45Å
432S24.6Very low42.1Very low120 Ų120111.2 Ų111.284%0.83960%0.603SS**SBendtrans-39.695.4173.9-39.40000113.1
433Q27.3Very low45Very low173 Ų173103 Ų10381%0.80856%0.56SS**  trans-175.211.9165.2-110.5168.232.200115.9N431 N435N431-Q433 PolarHBondContact O-N 3.45Å; Q433-N435 PolarHBondContact O-N 3.02Å
434S26.9Very low47.8Very low114 Ų11494.8 Ų94.880%0.79752%0.524SS*.  trans-85.292.2168.469.10000109.7S436S434-S436 PolarHBondContact O-N 3.48Å
435N31.7Very low50.8Low122 Ų12285.4 Ų85.465%0.65249%0.485SS*.  trans-58.982.1168.8-77.9-15.9000110.4Q433 S437Q433-N435 PolarHBondContact O-N 3.02Å; N435-S437 PolarHBondContact O-N 2.9Å
436S37Very low53.5Low82 Ų8280.9 Ų80.957%0.57346%0.458SS*.  trans-76.876.8151.763.50000105.9S434 F438S434-S436 PolarHBondContact O-N 3.48Å; S436-F438 WeakPolarHBondContact O-CD2 3.39Å; S436-F438 PolarHBondContact O-N 3.49Å
437S52Low56.1Low35 Ų3577.2 Ų77.225%0.24545%0.445CS..  trans-62.7106.7179.550.30000108.4N435 S439N435-S437 PolarHBondContact O-N 2.9Å; S437-S439 PolarHBondContact O-N 2.91Å
438F57.7Low58.4Low70 Ų7073.8 Ų73.831%0.30745%0.446SS..  trans-59.3132.4171.7-66.7-102.7000108L417 S436 G440 Q441 T457L417-F438 HydrophobicContact CD1-CD1 3.93Å; L417-F438 HydrophobicContact CD1-CE1 3.28Å; L417-F438 HydrophobicContact CD1-CZ 4.07Å; L417-F438 HydrophobicContact CG-CD1 4.3Å; L417-F438 HydrophobicContact CG-CE1 4.11Å; S436-F438 WeakPolarHBondContact O-CD2 3.39Å; S436-F438 PolarHBondContact O-N 3.49Å; F438-G440 PolarHBondContact O-N 2.89Å; F438-Q441 HydrophobicContact CB-CG 3.93Å; F438-Q441 WeakPolarHBondContact O-CG 3.08Å; F438-T457 HydrophobicContact CB-CG2 4.04Å; F438-T457 HydrophobicContact CD1-CG2 3.49Å; F438-T457 VanDerWaalsContact CD1-CG2 3.49Å; F438-T457 HydrophobicContact CD2-CG2 4.13Å; F438-T457 HydrophobicContact CE1-CG2 3.83Å; F438-T457 HydrophobicContact CE2-CG2 4.47Å; F438-T457 HydrophobicContact CG-CG2 3.64Å; F438-T457 HydrophobicContact CZ-CG2 4.34Å
439S72.4Confident61Low17 Ų1769.4 Ų69.412%0.11943%0.426CS..THydrogen-bonded Turntrans-67.8129.418056.50000110.3S437 P458S437-S439 PolarHBondContact O-N 2.91Å; S439-P458 WeakPolarHBondContact O-CG 3.42Å
440G82.4Confident63.4Low2 Ų275.1 Ų75.12%0.02143%0.433CS..THydrogen-bonded Turntrans79.532.7173.200000115.3F438F438-G440 PolarHBondContact O-N 2.89Å
441Q91Very high66Low23 Ų2373.9 Ų73.911%0.10743%0.428CS..  trans-64.6139.6171.3-72.2176.5-41.300111.4F438 T455 V456 K477F438-Q441 HydrophobicContact CB-CG 3.93Å; F438-Q441 WeakPolarHBondContact O-CG 3.08Å; Q441-T455 HydrophobicContact CB-CG2 4.27Å; Q441-T455 HydrophobicContact CG-CG2 4.34Å; Q441-V456 WeakPolarHBondContact CA-O 3.39Å; Q441-K477 PolarHBondContact O-N 3.26Å
442T94.1Very high69Low7 Ų771.4 Ų71.44%0.04341%0.411CS..EExtended strand (participates in β ladder)trans-105.1125.4168.7-56.40000108.7L409 Y444 V456 F475L409-T442 HydrophobicContact CD1-CG2 4.09Å; T442-Y444 HydrophobicContact CG2-CD2 4.48Å; T442-Y444 HydrophobicContact CG2-CE2 3.84Å; T442-V456 PolarHBondContact N-O 2.81Å; T442-V456 PolarHBondContact O-N 2.9Å; T442-F475 CarbonylContact C-O 3.56Å; T442-F475 WeakPolarHBondContact CA-O 3.48Å
443V94.1Very high72.2Confident0 Ų068.5 Ų68.50%039%0.386CS..EExtended strand (participates in β ladder)trans-109.1137.7-177.8-177.30000108.7V445 E452 L454 T455 S474 F475V443-V445 HydrophobicContact CG1-CG1 4.28Å; V443-E452 HydrophobicContact CG1-CB 4.06Å; V443-E452 HydrophobicContact CG1-CG 3.68Å; V443-L454 CarbonylContact C-O 3.55Å; V443-T455 HydrophobicContact CG2-CG2 4.35Å; V443-S474 CarbonylContact O-C 3.49Å; V443-S474 WeakPolarHBondContact O-CA 3.37Å; V443-F475 HydrophobicContact CB-CD1 4.13Å; V443-F475 HydrophobicContact CB-CD2 4.48Å; V443-F475 HydrophobicContact CB-CE1 3.59Å; V443-F475 HydrophobicContact CB-CE2 3.96Å; V443-F475 HydrophobicContact CB-CZ 3.5Å; V443-F475 VanDerWaalsContact CB-CZ 3.5Å; V443-F475 HydrophobicContact CG1-CE1 3.69Å; V443-F475 HydrophobicContact CG1-CZ 3.74Å; V443-F475 HydrophobicContact CG2-CE1 4.46Å; V443-F475 HydrophobicContact CG2-CE2 4.01Å; V443-F475 HydrophobicContact CG2-CZ 3.87Å; V443-F475 PolarHBondContact N-O 2.98Å; V443-F475 PolarHBondContact O-N 3.38Å
444Y93.9Very high75.3Confident4 Ų462.6 Ų62.62%0.01636%0.36CS..EExtended strand (participates in β ladder)trans-110.8136175.5-70.3-101.2000109.8E407 T442 L453 L454 V456 V466 T472 A473 S474E407-Y444 HydrophobicContact CG-CE1 4.49Å; E407-Y444 WeakPolarHBondContact OE2-CE1 3.36Å; E407-Y444 VanDerWaalsContact OE2-CZ 3.31Å; E407-Y444 PolarHBondContact OE2-OH 2.8Å; T442-Y444 HydrophobicContact CG2-CD2 4.48Å; T442-Y444 HydrophobicContact CG2-CE2 3.84Å; Y444-L453 WeakPolarHBondContact O-CB 3.32Å; Y444-L453 PolarHBondContact O-N 3.25Å; Y444-L454 HydrophobicContact CD2-CB 4.38Å; Y444-L454 HydrophobicContact CD2-CD2 4.21Å; Y444-L454 HydrophobicContact CD2-CG 4.4Å; Y444-L454 PolarHBondContact N-O 2.79Å; Y444-L454 PolarHBondContact O-N 3.39Å; Y444-V456 HydrophobicContact CD2-CG2 4.33Å; Y444-V456 HydrophobicContact CE2-CG2 3.88Å; Y444-V466 HydrophobicContact CD1-CG1 3.97Å; Y444-V466 HydrophobicContact CE1-CB 3.96Å; Y444-V466 HydrophobicContact CE1-CG1 3.66Å; Y444-V466 HydrophobicContact CE1-CG2 4.41Å; Y444-V466 HydrophobicContact CE2-CB 4.29Å; Y444-V466 HydrophobicContact CE2-CG1 4.28Å; Y444-V466 HydrophobicContact CE2-CG2 3.83Å; Y444-V466 HydrophobicContact CG-CG1 4.42Å; Y444-T472 HydrophobicContact CD1-CG2 4.24Å; Y444-A473 VanDerWaalsContact CA-O 3.3Å; Y444-A473 WeakPolarHBondContact CA-O 3.39Å; Y444-S474 VanDerWaalsContact CE1-CB 3.48Å
445V92Very high78.4Confident22 Ų2259.2 Ų59.213%0.13334%0.335CS..EExtended strand (participates in β ladder)trans-133.5150.7180-60.80000110.4L394 V443 T472 A473 F475L394-V445 HydrophobicContact CD1-CG2 3.45Å; L394-V445 VanDerWaalsContact CD1-CG2 3.45Å; V443-V445 HydrophobicContact CG1-CG1 4.28Å; V445-T472 WeakPolarHBondContact O-CA 3.32Å; V445-A473 PolarHBondContact N-O 2.86Å; V445-A473 PolarHBondContact O-N 3.19Å; V445-F475 HydrophobicContact CG1-CE1 4.14Å
446A88.2Confident81.2Confident16 Ų1653.9 Ų53.913%0.13231%0.306CS..EExtended strand (participates in β ladder)trans-93.8148.9169.400000110.1G448 E449 L453 A471A446-G448 PolarHBondContact O-N 3.19Å; A446-E449 HydrophobicContact CB-CB 3.97Å; A446-E449 HydrophobicContact CB-CG 3.81Å; A446-E449 PolarHBondContact O-N 3.36Å; A446-L453 HydrophobicContact CB-CD1 3.81Å; A446-L453 HydrophobicContact CB-CD2 4.1Å; A446-L453 HydrophobicContact CB-CG 4.1Å; A446-A471 CarbonylContact C-O 3.59Å; A446-A471 WeakPolarHBondContact CA-O 3.17Å
447D82.7Confident83.8Confident106 Ų10652.5 Ų52.557%0.56729%0.294SS*.THydrogen-bonded Turntrans-59.4133.2170.8-163.914.3000110.8M399 E449 A471M399-D447 VanDerWaalsContact CE-CA 3.46Å; M399-D447 HydrophobicContact CE-CB 3.44Å; M399-D447 VanDerWaalsContact CE-CB 3.44Å; D447-E449 PolarHBondContact O-N 2.97Å; D447-A471 HydrophobicContact CB-CB 3.79Å; D447-A471 PolarHBondContact N-O 3.26Å
448G77.5Confident85.6Confident80 Ų8051.2 Ų51.283%0.82529%0.285SS*.THydrogen-bonded Turntrans70.40.2-178.400000116.3A446A446-G448 PolarHBondContact O-N 3.19Å
449E79.8Confident87.2Confident85 Ų8550 Ų5040%0.39729%0.286SS..  trans-99.7131.9175.4-64.5-172.6-175.900110.8A446 D447 D451 L453A446-E449 HydrophobicContact CB-CB 3.97Å; A446-E449 HydrophobicContact CB-CG 3.81Å; A446-E449 PolarHBondContact O-N 3.36Å; D447-E449 PolarHBondContact O-N 2.97Å; E449-D451 VanDerWaalsContact C-N 3.33Å; E449-L453 WeakPolarHBondContact OE2-CD2 3.37Å
450E74.7Confident88.3Confident193 Ų19351 Ų5190%0.90229%0.29SS*.  trans-76.3-22.7176.1-64.8-166163.700112.7
451D81.2Confident88.9Confident128 Ų12851 Ų5168%0.68429%0.289SS*.SBendtrans-88143.1-173.8-73.9-36.1000112.8E449 L453E449-D451 VanDerWaalsContact C-N 3.33Å; D451-L453 PolarHBondContact O-N 3.27Å
452E88.7Confident89.2Confident100 Ų10050 Ų5047%0.46728%0.284SS..EExtended strand (participates in β ladder)trans-67.7122172-59.6-178.9175.500110.2V443 T455V443-E452 HydrophobicContact CG1-CB 4.06Å; V443-E452 HydrophobicContact CG1-CG 3.68Å; E452-T455 PolarHBondContact OE2-OG1 3.04Å
453L89.9Confident89.4Confident60 Ų6049.6 Ų49.631%0.31428%0.282SS..EExtended strand (participates in β ladder)trans-67.7-41.4176-67.3178.6000112.1Y444 A446 E449 D451 T472Y444-L453 WeakPolarHBondContact O-CB 3.32Å; Y444-L453 PolarHBondContact O-N 3.25Å; A446-L453 HydrophobicContact CB-CD1 3.81Å; A446-L453 HydrophobicContact CB-CD2 4.1Å; A446-L453 HydrophobicContact CB-CG 4.1Å; E449-L453 WeakPolarHBondContact OE2-CD2 3.37Å; D451-L453 PolarHBondContact O-N 3.27Å; L453-T472 HydrophobicContact CD1-CG2 3.98Å
454L92.6Very high89.6Confident48 Ų4849.7 Ų49.725%0.25128%0.283SS..EExtended strand (participates in β ladder)trans-159.9133.5-175.8174.567000110.2E248 V443 Y444 V456 V466E248-L454 HydrophobicContact CB-CD2 3.84Å; E248-L454 HydrophobicContact CG-CD1 4.41Å; E248-L454 HydrophobicContact CG-CD2 4.14Å; V443-L454 CarbonylContact C-O 3.55Å; Y444-L454 HydrophobicContact CD2-CB 4.38Å; Y444-L454 HydrophobicContact CD2-CD2 4.21Å; Y444-L454 HydrophobicContact CD2-CG 4.4Å; Y444-L454 PolarHBondContact N-O 2.79Å; Y444-L454 PolarHBondContact O-N 3.39Å; L454-V456 HydrophobicContact CD2-CG2 4.02Å; L454-V456 HydrophobicContact CG-CG2 4.2Å; L454-V466 HydrophobicContact CD2-CG1 4.1Å; L454-V466 HydrophobicContact CD2-CG2 3.86Å
455T92.7Very high89.8Confident44 Ų4449.5 Ų49.527%0.2728%0.282SS..EExtended strand (participates in β ladder)trans-114.9112.9168.6-75.30000110Q441 V443 E452 T457Q441-T455 HydrophobicContact CB-CG2 4.27Å; Q441-T455 HydrophobicContact CG-CG2 4.34Å; V443-T455 HydrophobicContact CG2-CG2 4.35Å; E452-T455 PolarHBondContact OE2-OG1 3.04Å; T455-T457 PolarHBondContact O-N 3.2Å
456V91.3Very high90Very high10 Ų1048.9 Ų48.96%0.06128%0.278CS..EExtended strand (participates in β ladder)trans-81.9116.1178.2175.70000109.1Q441 T442 Y444 L454 T464 V466Q441-V456 WeakPolarHBondContact CA-O 3.39Å; T442-V456 PolarHBondContact N-O 2.81Å; T442-V456 PolarHBondContact O-N 2.9Å; Y444-V456 HydrophobicContact CD2-CG2 4.33Å; Y444-V456 HydrophobicContact CE2-CG2 3.88Å; L454-V456 HydrophobicContact CD2-CG2 4.02Å; L454-V456 HydrophobicContact CG-CG2 4.2Å; V456-T464 HydrophobicContact CG1-CG2 3.72Å; V456-T464 HydrophobicContact CG2-CG2 3.97Å; V456-V466 HydrophobicContact CG2-CG2 4.26Å
457T90.1Very high90.4Very high52 Ų5250.6 Ų50.632%0.31928%0.282SS..PPolyproline II helixtrans-87.4121169.1-60.30000109.4Q250 F438 T455Q250-T457 PolarHBondContact NE2-O 2.62Å; F438-T457 HydrophobicContact CB-CG2 4.04Å; F438-T457 HydrophobicContact CD1-CG2 3.49Å; F438-T457 VanDerWaalsContact CD1-CG2 3.49Å; F438-T457 HydrophobicContact CD2-CG2 4.13Å; F438-T457 HydrophobicContact CE1-CG2 3.83Å; F438-T457 HydrophobicContact CE2-CG2 4.47Å; F438-T457 HydrophobicContact CG-CG2 3.64Å; F438-T457 HydrophobicContact CZ-CG2 4.34Å; T455-T457 PolarHBondContact O-N 3.2Å
458P91.6Very high90.9Very high9 Ų945.7 Ų45.76%0.05826%0.255CS..PPolyproline II helixtrans-74.5153.9-175.332.9-38.7000111.8H411 Y415 S439H411-P458 WeakPolarHBondContact CD2-CB 3.39Å; H411-P458 WeakPolarHBondContact NE2-CB 3.48Å; Y415-P458 HydrophobicContact CD1-CB 3.27Å; Y415-P458 HydrophobicContact CD1-CG 3.17Å; Y415-P458 HydrophobicContact CD2-CB 4.3Å; Y415-P458 HydrophobicContact CE1-CB 3.64Å; Y415-P458 HydrophobicContact CE1-CG 3.71Å; Y415-P458 HydrophobicContact CG-CB 3.6Å; Y415-P458 HydrophobicContact CG-CG 3.88Å; S439-P458 WeakPolarHBondContact O-CG 3.42Å
459S91.2Very high91.5Very high45 Ų4542.2 Ų42.232%0.31522%0.22SC..  trans-146.4140.7177-177.20000109.8H411 N461 A462H411-S459 WeakPolarHBondContact CB-O 3.36Å; S459-N461 PolarHBondContact O-N 3.33Å; S459-A462 WeakPolarHBondContact O-CB 3.4Å; S459-A462 PolarHBondContact O-N 3.47Å
460D93.8Very high91.6Very high38 Ų3841.5 Ų41.520%0.20322%0.223CC..THydrogen-bonded Turntrans-59.4137.2-177.4-76.3-11.7000111.8W260 H413 G414 Y415 G416 A462W260-D460 HydrophobicContact CZ2-CB 4.11Å; H413-D460 VanDerWaalsContact C-OD1 3.23Å; H413-D460 VanDerWaalsContact CA-OD1 3.27Å; H413-D460 WeakPolarHBondContact CA-OD1 3.5Å; H413-D460 IonicContact ND1-OD2 3.96Å; G414-D460 PolarHBondContact N-OD1 2.99Å; Y415-D460 PolarHBondContact N-OD1 3.01Å; G416-D460 PolarHBondContact N-OD2 2.68Å; D460-A462 PolarHBondContact O-N 3.48Å
461N96.7Very high92.1Very high2 Ų234.3 Ų34.31%0.01120%0.196CC..THydrogen-bonded Turntrans5632.6-176.6-161.911.8000113.9N253 F254 I255 W260 H411 S459N253-N461 WeakPolarHBondContact CA-O 3.45Å; N253-N461 PolarHBondContact N-O 3.44Å; F254-N461 PolarHBondContact N-O 3.12Å; I255-N461 WeakPolarHBondContact CB-OD1 3.45Å; I255-N461 PolarHBondContact N-OD1 3.07Å; I255-N461 PolarHBondContact O-ND2 2.73Å; W260-N461 HydrophobicContact CD2-CB 4.1Å; W260-N461 HydrophobicContact CG-CB 4.02Å; W260-N461 HydrophobicContact CZ2-CB 4.5Å; H411-N461 VanDerWaalsContact O-CA 3.32Å; H411-N461 WeakPolarHBondContact O-CA 3.42Å; H411-N461 PolarHBondContact O-N 3.27Å; S459-N461 PolarHBondContact O-N 3.33Å
462A96.7Very high92.5Very high0 Ų029.4 Ų29.40%017%0.171CC..EExtended strand (participates in β ladder)trans-109.7129.517800000111.7Q250 L251 H411 S459 D460Q250-A462 HydrophobicContact CG-CB 3.75Å; L251-A462 CarbonylContact O-C 3.55Å; L251-A462 VanDerWaalsContact O-CA 3.29Å; L251-A462 WeakPolarHBondContact O-CA 3.4Å; H411-A462 PolarHBondContact N-O 2.78Å; H411-A462 PolarHBondContact ND1-O 3.07Å; H411-A462 PolarHBondContact O-N 3.29Å; S459-A462 WeakPolarHBondContact O-CB 3.4Å; S459-A462 PolarHBondContact O-N 3.47Å; D460-A462 PolarHBondContact O-N 3.48Å
463L98.1Very high92.5Very high0 Ų024.8 Ų24.80%015%0.15CC..EExtended strand (participates in β ladder)trans-91.4110.5170-176.969.3000109.3Q250 L251 F254 F308 M313 C408 L410 L465Q250-L463 WeakPolarHBondContact CA-O 3.28Å; L251-L463 HydrophobicContact CB-CB 4.28Å; L251-L463 HydrophobicContact CD1-CD2 4.43Å; L251-L463 PolarHBondContact N-O 3.34Å; L251-L463 PolarHBondContact O-N 2.94Å; F254-L463 HydrophobicContact CB-CB 3.74Å; F254-L463 HydrophobicContact CD1-CB 3.98Å; F254-L463 HydrophobicContact CD1-CD2 3.92Å; F254-L463 HydrophobicContact CD1-CG 4.42Å; F254-L463 HydrophobicContact CD2-CB 3.84Å; F254-L463 HydrophobicContact CD2-CD2 3.68Å; F254-L463 HydrophobicContact CD2-CG 4.4Å; F254-L463 HydrophobicContact CE1-CD2 3.7Å; F254-L463 HydrophobicContact CE2-CB 4.49Å; F254-L463 HydrophobicContact CE2-CD2 3.45Å; F254-L463 VanDerWaalsContact CE2-CD2 3.45Å; F254-L463 HydrophobicContact CG-CB 3.56Å; F254-L463 HydrophobicContact CG-CD2 3.92Å; F254-L463 HydrophobicContact CG-CG 4.32Å; F254-L463 HydrophobicContact CZ-CD2 3.46Å; F254-L463 VanDerWaalsContact CZ-CD2 3.46Å; F308-L463 HydrophobicContact CE1-CD1 3.69Å; F308-L463 HydrophobicContact CZ-CD1 3.98Å; M313-L463 HydrophobicContact CE-CD2 4.32Å; C408-L463 VanDerWaalsContact SG-CD1 3.51Å; L410-L463 HydrophobicContact CB-CD1 3.97Å; L410-L463 HydrophobicContact CD1-CB 4.3Å; L410-L463 HydrophobicContact CD1-CD1 4.39Å; L463-L465 HydrophobicContact CD1-CD2 4.5Å; L463-L465 HydrophobicContact CD2-CD2 4.1Å; L463-L465 HydrophobicContact CD2-CG 4.37Å; L463-L465 HydrophobicContact CG-CD2 4.09Å; L463-L465 HydrophobicContact CG-CG 4.32Å
464T97.6Very high92.6Very high2 Ų223.1 Ų23.11%0.01214%0.143CC..EExtended strand (participates in β ladder)trans-92.3132.7170.6-59.70000109.8I249 Q250 C408 L409 H411 V456 V466I249-T464 CarbonylContact O-C 3.57Å; I249-T464 WeakPolarHBondContact O-CA 3.36Å; Q250-T464 PolarHBondContact NE2-OG1 3.14Å; Q250-T464 VanDerWaalsContact NE2-OG1 3.14Å; C408-T464 WeakPolarHBondContact CA-O 3.41Å; L409-T464 PolarHBondContact N-O 3.25Å; L409-T464 PolarHBondContact O-N 3.5Å; H411-T464 PolarHBondContact CE1-OG1 3.42Å; V456-T464 HydrophobicContact CG1-CG2 3.72Å; V456-T464 HydrophobicContact CG2-CG2 3.97Å; T464-V466 HydrophobicContact CG2-CG2 4.06Å
465L98.1Very high92.7Very high0 Ų021.1 Ų21.10%013%0.133CC..EExtended strand (participates in β ladder)trans-121.3132.3174.1-57.6175.8000109F243 E248 I249 L251 L317 I320 T321 L406 E407 C408 L463F243-L465 HydrophobicContact CE2-CB 3.92Å; E248-L465 CarbonylContact C-O 3.56Å; E248-L465 VanDerWaalsContact CA-O 3.26Å; E248-L465 WeakPolarHBondContact CA-O 3.39Å; I249-L465 HydrophobicContact CG2-CB 4.07Å; I249-L465 HydrophobicContact CG2-CD1 4.17Å; I249-L465 HydrophobicContact CG2-CG 4.42Å; I249-L465 PolarHBondContact N-O 3.44Å; I249-L465 PolarHBondContact O-N 2.87Å; L251-L465 HydrophobicContact CD1-CD1 4.36Å; L317-L465 HydrophobicContact CD2-CD1 3.92Å; L317-L465 HydrophobicContact CD2-CD2 3.74Å; I320-L465 HydrophobicContact CG2-CD1 3.61Å; T321-L465 HydrophobicContact CG2-CD1 3.96Å; L406-L465 HydrophobicContact CD1-CB 4.19Å; L406-L465 HydrophobicContact CD2-CD2 4.46Å; E407-L465 WeakPolarHBondContact O-CA 3.48Å; C408-L465 HydrophobicContact CB-CD2 3.83Å; L463-L465 HydrophobicContact CD1-CD2 4.5Å; L463-L465 HydrophobicContact CD2-CD2 4.1Å; L463-L465 HydrophobicContact CD2-CG 4.37Å; L463-L465 HydrophobicContact CG-CD2 4.09Å; L463-L465 HydrophobicContact CG-CG 4.32Å
466V97.3Very high92.8Very high9 Ų919.1 Ų19.16%0.05512%0.12CC..EExtended strand (participates in β ladder)trans-133.8124.8175.7-176.70000108.9S247 E248 E407 Y444 L454 V456 T464S247-V466 WeakPolarHBondContact O-CA 3.4Å; E248-V466 HydrophobicContact CB-CG2 4.31Å; E407-V466 PolarHBondContact N-O 3.34Å; E407-V466 PolarHBondContact O-N 3.31Å; Y444-V466 HydrophobicContact CD1-CG1 3.97Å; Y444-V466 HydrophobicContact CE1-CB 3.96Å; Y444-V466 HydrophobicContact CE1-CG1 3.66Å; Y444-V466 HydrophobicContact CE1-CG2 4.41Å; Y444-V466 HydrophobicContact CE2-CB 4.29Å; Y444-V466 HydrophobicContact CE2-CG1 4.28Å; Y444-V466 HydrophobicContact CE2-CG2 3.83Å; Y444-V466 HydrophobicContact CG-CG1 4.42Å; L454-V466 HydrophobicContact CD2-CG1 4.1Å; L454-V466 HydrophobicContact CD2-CG2 3.86Å; V456-V466 HydrophobicContact CG2-CG2 4.26Å; T464-V466 HydrophobicContact CG2-CG2 4.06Å
467Y95.9Very high92.9Very high52 Ų5221.8 Ų21.820%0.20413%0.131CC..EExtended strand (participates in β ladder)trans-89.6111.3173.9-169.2-131.2000109.7S247 I323 W404 R405 E532S247-Y467 PolarHBondContact O-N 2.85Å; I323-Y467 HydrophobicContact CD1-CD1 4.31Å; I323-Y467 HydrophobicContact CD1-CD2 3.33Å; I323-Y467 HydrophobicContact CD1-CE2 3.58Å; I323-Y467 HydrophobicContact CD1-CG 3.74Å; I323-Y467 HydrophobicContact CG1-CD2 4.43Å; I323-Y467 HydrophobicContact CG1-CE2 4.31Å; W404-Y467 HydrophobicContact CB-CE2 4.42Å; W404-Y467 HydrophobicContact CD2-CE1 4.38Å; W404-Y467 HydrophobicContact CE3-CD1 4.08Å; W404-Y467 AromaticContact CE3-CE1 3.37Å; W404-Y467 HydrophobicContact CE3-CE1 3.37Å; W404-Y467 HydrophobicContact CE3-CE2 4.09Å; W404-Y467 AromaticContact CE3-CZ 3.38Å; W404-Y467 AromaticContact CZ3-CD1 3.99Å; W404-Y467 HydrophobicContact CZ3-CD1 3.99Å; W404-Y467 AromaticContact CZ3-CE1 3.52Å; W404-Y467 HydrophobicContact CZ3-CE1 3.52Å; R405-Y467 VanDerWaalsContact O-CD2 3.28Å; R405-Y467 WeakPolarHBondContact O-CD2 3.26Å; Y467-E532 PolarHBondContact OH-OE2 3.5Å
468A92.9Very high93.1Very high2 Ų220.9 Ų20.92%0.01712%0.122CC..EExtended strand (participates in β ladder)trans-109.1133.8-175.400000110.2R405 T472R405-A468 HydrophobicContact CG-CB 4.2Å; R405-A468 PolarHBondContact N-O 2.88Å; R405-A468 PolarHBondContact O-N 2.88Å; A468-T472 HydrophobicContact CB-CG2 4.02Å
469G89.5Confident93.2Very high8 Ų820.5 Ų20.58%0.08212%0.12CC..  trans-86.9177.9174.800000113W404 R405 T472W404-G469 VanDerWaalsContact CE3-CA 3.47Å; R405-G469 PolarHBondContact NH1-O 2.85Å; G469-T472 PolarHBondContact O-N 3.29Å
470P83.9Confident93.1Very high69 Ų6919.2 Ų19.245%0.44811%0.109SC..THydrogen-bonded Turntrans-53.5144.8162.8-20.432.5000110.3Q402 T472Q402-P470 VanDerWaalsContact O-CA 3.3Å; Q402-P470 WeakPolarHBondContact O-CA 3.21Å; P470-T472 PolarHBondContact O-N 3.1Å
471A83.8Confident92.7Very high42 Ų4221.3 Ų21.335%0.34712%0.115SC..THydrogen-bonded Turntrans65.713.6-175.300000116.1A446 D447A446-A471 CarbonylContact C-O 3.59Å; A446-A471 WeakPolarHBondContact CA-O 3.17Å; D447-A471 HydrophobicContact CB-CB 3.79Å; D447-A471 PolarHBondContact N-O 3.26Å
472T89.2Confident91.7Very high25 Ų2523.2 Ų23.215%0.15313%0.127CC..EExtended strand (participates in β ladder)trans-107.6131.6167.3-57.50000110R405 Y444 V445 L453 A468 G469 P470R405-T472 PolarHBondContact NH1-O 3.43Å; R405-T472 PolarHBondContact NH2-O 3.25Å; Y444-T472 HydrophobicContact CD1-CG2 4.24Å; V445-T472 WeakPolarHBondContact O-CA 3.32Å; L453-T472 HydrophobicContact CD1-CG2 3.98Å; A468-T472 HydrophobicContact CB-CG2 4.02Å; G469-T472 PolarHBondContact O-N 3.29Å; P470-T472 PolarHBondContact O-N 3.1Å
473A89.7Confident90.3Very high4 Ų423.4 Ų23.43%0.03313%0.128CC..EExtended strand (participates in β ladder)trans-127.6167.8172.100000112.6L394 M399 Y444 V445L394-A473 HydrophobicContact CD2-CB 3.67Å; M399-A473 HydrophobicContact CE-CB 4.35Å; M399-A473 HydrophobicContact SD-CB 3.19Å; M399-A473 WeakPolarHBondContact SD-CB 3.39Å; Y444-A473 VanDerWaalsContact CA-O 3.3Å; Y444-A473 WeakPolarHBondContact CA-O 3.39Å; V445-A473 PolarHBondContact N-O 2.86Å; V445-A473 PolarHBondContact O-N 3.19Å
474S92.3Very high88.2Confident24 Ų2427.3 Ų27.317%0.16815%0.148CC..EExtended strand (participates in β ladder)trans-137.2148.1-178.163.40000111.9E407 V443 Y444E407-S474 PolarHBondContact OE1-OG 3.37Å; E407-S474 PolarHBondContact OE2-OG 3.08Å; V443-S474 CarbonylContact O-C 3.49Å; V443-S474 WeakPolarHBondContact O-CA 3.37Å; Y444-S474 VanDerWaalsContact CE1-CB 3.48Å
475F93.8Very high85.6Confident7 Ų732.3 Ų32.33%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-140.7148.6175.569.2-90.2000112.4D29 T392 L394 T442 V443 V445 K477D29-F475 VanDerWaalsContact CA-CE2 3.41Å; D29-F475 HydrophobicContact CB-CB 4.21Å; D29-F475 HydrophobicContact CB-CD1 3.77Å; D29-F475 HydrophobicContact CB-CD2 3.4Å; D29-F475 VanDerWaalsContact CB-CD2 3.4Å; D29-F475 HydrophobicContact CB-CE1 3.88Å; D29-F475 HydrophobicContact CB-CE2 3.55Å; D29-F475 HydrophobicContact CB-CG 3.52Å; D29-F475 HydrophobicContact CB-CZ 3.77Å; T392-F475 WeakPolarHBondContact OG1-CA 3.41Å; L394-F475 HydrophobicContact CD1-CD1 3.91Å; L394-F475 HydrophobicContact CD1-CE1 4.33Å; L394-F475 HydrophobicContact CD2-CB 4.03Å; L394-F475 HydrophobicContact CD2-CD1 4.05Å; L394-F475 HydrophobicContact CG-CB 4.23Å; L394-F475 HydrophobicContact CG-CD1 3.91Å; L394-F475 HydrophobicContact CG-CG 4.4Å; T442-F475 CarbonylContact C-O 3.56Å; T442-F475 WeakPolarHBondContact CA-O 3.48Å; V443-F475 HydrophobicContact CB-CD1 4.13Å; V443-F475 HydrophobicContact CB-CD2 4.48Å; V443-F475 HydrophobicContact CB-CE1 3.59Å; V443-F475 HydrophobicContact CB-CE2 3.96Å; V443-F475 HydrophobicContact CB-CZ 3.5Å; V443-F475 VanDerWaalsContact CB-CZ 3.5Å; V443-F475 HydrophobicContact CG1-CE1 3.69Å; V443-F475 HydrophobicContact CG1-CZ 3.74Å; V443-F475 HydrophobicContact CG2-CE1 4.46Å; V443-F475 HydrophobicContact CG2-CE2 4.01Å; V443-F475 HydrophobicContact CG2-CZ 3.87Å; V443-F475 PolarHBondContact N-O 2.98Å; V443-F475 PolarHBondContact O-N 3.38Å; V445-F475 HydrophobicContact CG1-CE1 4.14Å; F475-K477 HydrophobicContact CE2-CB 4.29Å
476L94.8Very high82.7Confident2 Ų237 Ų371%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-81.6112.7168.717570.1000108.6L386 Y391 T392L386-L476 HydrophobicContact CD1-CD1 4.03Å; L386-L476 HydrophobicContact CD1-CD2 3.76Å; L386-L476 HydrophobicContact CD2-CD2 3.73Å; L386-L476 HydrophobicContact CG-CD2 4.31Å; Y391-L476 WeakPolarHBondContact CA-O 3.42Å; T392-L476 HydrophobicContact CG2-CB 4.11Å; T392-L476 PolarHBondContact N-O 2.95Å; T392-L476 PolarHBondContact OG1-N 3.23Å
477K93.8Very high79.5Confident66 Ų6641.9 Ų41.929%0.28722%0.224SC..  trans-60.2139177.2-167.1166-166.3154.20110.6Q441 F475 I479Q441-K477 PolarHBondContact O-N 3.26Å; F475-K477 HydrophobicContact CE2-CB 4.29Å; K477-I479 PolarHBondContact O-N 2.9Å
478Y94.6Very high76.3Confident33 Ų3343.4 Ų43.413%0.12924%0.242CC..  trans-52.1125.6180178.7-100.8000112.4Y98 L100 E179 G389 S390 Y391 N480Y98-Y478 AromaticContact CD1-CD1 3.38Å; Y98-Y478 HydrophobicContact CD1-CD1 3.38Å; Y98-Y478 AromaticContact CD1-CE1 3.8Å; Y98-Y478 HydrophobicContact CD1-CE1 3.8Å; Y98-Y478 HydrophobicContact CD1-CG 4.16Å; Y98-Y478 HydrophobicContact CD2-CD1 4.24Å; Y98-Y478 HydrophobicContact CD2-CG 4.28Å; Y98-Y478 AromaticContact CE1-CD1 3.38Å; Y98-Y478 HydrophobicContact CE1-CD1 3.38Å; Y98-Y478 HydrophobicContact CE1-CE1 4.25Å; Y98-Y478 AromaticContact CE1-CG 3.93Å; Y98-Y478 HydrophobicContact CE1-CG 3.93Å; Y98-Y478 HydrophobicContact CE2-CD1 4.23Å; Y98-Y478 HydrophobicContact CE2-CG 4.05Å; Y98-Y478 AromaticContact CG-CD1 3.85Å; Y98-Y478 HydrophobicContact CG-CD1 3.85Å; Y98-Y478 HydrophobicContact CG-CE1 4.1Å; Y98-Y478 HydrophobicContact CG-CG 4.35Å; Y98-Y478 AromaticContact CZ-CD1 3.84Å; Y98-Y478 AromaticContact CZ-CG 3.88Å; Y98-Y478 WeakPolarHBondContact OH-CB 3.47Å; L100-Y478 HydrophobicContact CD1-CD2 4.11Å; L100-Y478 HydrophobicContact CD1-CG 4.46Å; L100-Y478 HydrophobicContact CD2-CD2 3.61Å; L100-Y478 HydrophobicContact CD2-CE2 3.79Å; L100-Y478 HydrophobicContact CD2-CG 4.31Å; L100-Y478 HydrophobicContact CG-CD2 4.45Å; E179-Y478 HydrophobicContact CB-CE1 4.41Å; E179-Y478 HydrophobicContact CG-CE1 4.43Å; E179-Y478 VanDerWaalsContact OE2-CE1 3.3Å; E179-Y478 WeakPolarHBondContact OE2-CE1 3.2Å; E179-Y478 PolarHBondContact OE2-OH 3.37Å; G389-Y478 VanDerWaalsContact CA-CE2 3.49Å; S390-Y478 WeakPolarHBondContact O-CA 3.5Å; Y391-Y478 AromaticContact CD1-CD2 3.66Å; Y391-Y478 HydrophobicContact CD1-CD2 3.66Å; Y391-Y478 HydrophobicContact CD1-CE2 4.15Å; Y391-Y478 HydrophobicContact CE1-CD2 4.45Å; Y391-Y478 HydrophobicContact CG-CD2 4.27Å; Y478-N480 HydrophobicContact CD1-CB 3.77Å; Y478-N480 VanDerWaalsContact CE1-CA 3.49Å; Y478-N480 HydrophobicContact CE1-CB 3.63Å; Y478-N480 PolarHBondContact O-N 3.35Å
479I93.4Very high73.6Confident1 Ų149.3 Ų49.31%0.00527%0.273CS..  trans-84.492.3177.8-54.4-177.9000108.3L386 Q387 Q388 G389 S390 K477 T483 L523L386-I479 HydrophobicContact CB-CD1 3.78Å; L386-I479 HydrophobicContact CD1-CD1 4.4Å; Q387-I479 WeakPolarHBondContact O-CB 3.17Å; Q388-I479 CarbonylContact C-O 3.56Å; Q388-I479 WeakPolarHBondContact CA-O 3.28Å; G389-I479 PolarHBondContact N-O 3.42Å; S390-I479 PolarHBondContact O-N 2.96Å; K477-I479 PolarHBondContact O-N 2.9Å; I479-T483 HydrophobicContact CG2-CG2 4.44Å; I479-T483 WeakPolarHBondContact CG2-OG1 3.3Å; I479-L523 HydrophobicContact CD1-CD1 3.73Å
480N89.9Confident70.9Confident17 Ų1757.7 Ų57.79%0.09131%0.307CS..  trans-74.1164.7-179.677.119.5000112.6G96 E179 Y478 T482 T483G96-N480 PolarHBondContact O-ND2 2.96Å; E179-N480 WeakPolarHBondContact OE1-CB 3.46Å; E179-N480 WeakPolarHBondContact OE2-CA 3.36Å; Y478-N480 HydrophobicContact CD1-CB 3.77Å; Y478-N480 VanDerWaalsContact CE1-CA 3.49Å; Y478-N480 HydrophobicContact CE1-CB 3.63Å; Y478-N480 PolarHBondContact O-N 3.35Å; N480-T482 VanDerWaalsContact CG-OG1 3.25Å; N480-T482 PolarHBondContact ND2-OG1 3.27Å; N480-T482 PolarHBondContact O-N 3.11Å; N480-T482 WeakPolarHBondContact OD1-CA 3.49Å; N480-T482 WeakPolarHBondContact OD1-CB 3.37Å; N480-T482 PolarHBondContact OD1-N 2.97Å; N480-T482 VanDerWaalsContact OD1-N 3.08Å; N480-T482 PolarHBondContact OD1-OG1 2.97Å; N480-T483 PolarHBondContact O-N 3.27Å; N480-T483 PolarHBondContact O-OG1 3.02Å; N480-T483 WeakPolarHBondContact OD1-CG2 3.34Å; N480-T483 PolarHBondContact OD1-N 3.22Å
481Y85.1Confident68.3Low82 Ų8261.3 Ų61.332%0.32232%0.323SS..THydrogen-bonded Turntrans-62.5-27.1179.3-167.9-101000112.9E179 F181 Q388 T483 H485E179-Y481 VanDerWaalsContact CD-N 3.29Å; E179-Y481 WeakPolarHBondContact OE1-CA 3.37Å; E179-Y481 WeakPolarHBondContact OE1-CB 3.38Å; E179-Y481 PolarHBondContact OE1-N 3.47Å; E179-Y481 PolarHBondContact OE2-N 3.18Å; F181-Y481 HydrophobicContact CD1-CD1 4.32Å; F181-Y481 HydrophobicContact CD1-CG 4.01Å; F181-Y481 HydrophobicContact CE1-CG 4.2Å; Q388-Y481 PolarHBondContact NE2-O 3.49Å; Y481-T483 VanDerWaalsContact C-N 3.25Å; Y481-T483 PolarHBondContact O-N 3.36Å; Y481-H485 AromaticContact CD1-CE1 3.43Å; Y481-H485 VanDerWaalsContact CD1-CE1 3.43Å; Y481-H485 WeakPolarHBondContact CD1-CE1 3.36Å; Y481-H485 AromaticContact CD1-NE2 3.4Å; Y481-H485 WeakPolarHBondContact CD1-NE2 3.2Å; Y481-H485 AromaticContact CE1-CE1 3.11Å; Y481-H485 WeakPolarHBondContact CE1-CE1 3.35Å; Y481-H485 AromaticContact CE1-NE2 3.18Å; Y481-H485 WeakPolarHBondContact CE1-NE2 3.2Å; Y481-H485 AromaticContact CZ-CE1 3.42Å; Y481-H485 VanDerWaalsContact CZ-CE1 3.42Å; Y481-H485 AromaticContact CZ-NE2 3.96Å; Y481-H485 PolarHBondContact O-CE1 2.9Å; Y481-H485 PolarHBondContact O-NE2 3.2Å
482T75.8Confident65.9Low43 Ų4367.3 Ų67.326%0.26434%0.344SS..THydrogen-bonded Turntrans-72.5-16.8-179.481.40000113.5H95 N480 N484H95-T482 VanDerWaalsContact CD2-CG2 3.41Å; H95-T482 WeakPolarHBondContact CD2-CG2 3.34Å; H95-T482 WeakPolarHBondContact NE2-CG2 3.49Å; N480-T482 VanDerWaalsContact CG-OG1 3.25Å; N480-T482 PolarHBondContact ND2-OG1 3.27Å; N480-T482 PolarHBondContact O-N 3.11Å; N480-T482 WeakPolarHBondContact OD1-CA 3.49Å; N480-T482 WeakPolarHBondContact OD1-CB 3.37Å; N480-T482 PolarHBondContact OD1-N 2.97Å; N480-T482 VanDerWaalsContact OD1-N 3.08Å; N480-T482 PolarHBondContact OD1-OG1 2.97Å; T482-N484 PolarHBondContact O-N 2.82Å
483T65.8Low63.2Low4 Ų473 Ų733%0.02537%0.372CS..SBendtrans-61.6106.2177.756.20000110.6I479 N480 Y481 H485 I521I479-T483 HydrophobicContact CG2-CG2 4.44Å; I479-T483 WeakPolarHBondContact CG2-OG1 3.3Å; N480-T483 PolarHBondContact O-N 3.27Å; N480-T483 PolarHBondContact O-OG1 3.02Å; N480-T483 WeakPolarHBondContact OD1-CG2 3.34Å; N480-T483 PolarHBondContact OD1-N 3.22Å; Y481-T483 VanDerWaalsContact C-N 3.25Å; Y481-T483 PolarHBondContact O-N 3.36Å; T483-H485 PolarHBondContact O-N 3.12Å; T483-I521 WeakPolarHBondContact O-CD1 3.44Å
484N55.7Low60.4Low81 Ų8180 Ų8043%0.43341%0.407SS..  trans21.382.2179.9-74.6-21.3000117.7L417 T482 F486 I521L417-N484 WeakPolarHBondContact CD2-ND2 3.22Å; T482-N484 PolarHBondContact O-N 2.82Å; N484-F486 PolarHBondContact O-N 3.49Å; N484-I521 WeakPolarHBondContact O-CD1 3.42Å
485H43.3Very low57.6Low107 Ų10787.4 Ų87.450%0.49544%0.437SS..  trans-54.4104.3155.3-66.5-45.8000110.7Y481 T483 P487Y481-H485 AromaticContact CD1-CE1 3.43Å; Y481-H485 VanDerWaalsContact CD1-CE1 3.43Å; Y481-H485 WeakPolarHBondContact CD1-CE1 3.36Å; Y481-H485 AromaticContact CD1-NE2 3.4Å; Y481-H485 WeakPolarHBondContact CD1-NE2 3.2Å; Y481-H485 AromaticContact CE1-CE1 3.11Å; Y481-H485 WeakPolarHBondContact CE1-CE1 3.35Å; Y481-H485 AromaticContact CE1-NE2 3.18Å; Y481-H485 WeakPolarHBondContact CE1-NE2 3.2Å; Y481-H485 AromaticContact CZ-CE1 3.42Å; Y481-H485 VanDerWaalsContact CZ-CE1 3.42Å; Y481-H485 AromaticContact CZ-NE2 3.96Å; Y481-H485 PolarHBondContact O-CE1 2.9Å; Y481-H485 PolarHBondContact O-NE2 3.2Å; T483-H485 PolarHBondContact O-N 3.12Å; H485-P487 WeakPolarHBondContact O-CD 3.29Å
486F36.3Very low54.7Low100 Ų10095.9 Ų95.944%0.43948%0.476SS..  trans-66.1123.3165.9-67.4-78.9000108.7K418 N484 S488 I521K418-F486 HydrophobicContact CB-CE1 4.44Å; N484-F486 PolarHBondContact O-N 3.49Å; F486-S488 PolarHBondContact O-N 3.33Å; F486-I521 HydrophobicContact CD2-CD1 4.49Å; F486-I521 HydrophobicContact CD2-CG1 4.24Å; F486-I521 HydrophobicContact CE2-CD1 4.39Å; F486-I521 HydrophobicContact CE2-CG1 4.28Å
487P30.2Very low51.7Low110 Ų110100 Ų10071%0.71451%0.51SS*.  trans-61.4128.9159.8-12.727.8000107.5H485 D489H485-P487 WeakPolarHBondContact O-CD 3.29Å; P487-D489 PolarHBondContact O-N 2.97Å
488S29.4Very low48.8Very low84 Ų84104 Ų10459%0.58754%0.535SS*.  trans-65.290.6179.5-33.60000110.2F486 K490F486-S488 PolarHBondContact O-N 3.33Å; S488-K490 PolarHBondContact O-N 2.97Å
489D36.4Very low45.8Very low126 Ų126107.8 Ų107.867%0.67457%0.565SS**  trans-83.5100.1168.6-102.5-11.7000109.8P487 N491P487-D489 PolarHBondContact O-N 2.97Å; D489-N491 PolarHBondContact O-N 2.94Å
490K31.1Very low42.8Very low184 Ų184115.3 Ų115.380%0.861%0.605SS**  trans-58.6126.7157.8-71.7178.9176.1178.40107.6S488S488-K490 PolarHBondContact O-N 2.97Å
491N30.8Very low39.9Very low145 Ų145120.1 Ų120.178%0.77564%0.637SS**  trans84.391.4171.5-51-28.8000116D489D489-N491 PolarHBondContact O-N 2.94Å
492Q32.2Very low37.3Very low169 Ų169124.1 Ų124.179%0.7966%0.663SS**  trans-156.672.4141-108.1170.662.100109.1I494Q492-I494 PolarHBondContact O-N 3.25Å
493I33Very low35.3Very low143 Ų143128.9 Ų128.973%0.73369%0.686SS**  trans-75.9108.7153.2-60176.5000104.7K495I493-K495 VanDerWaalsContact C-N 3.3Å; I493-K495 HydrophobicContact CG2-CG 3.82Å; I493-K495 PolarHBondContact O-N 3.06Å
494I31.5Very low33.8Very low152 Ų152135 Ų13578%0.77972%0.723SS**  trans-66.795.9165.6-62173000106.1Q492Q492-I494 PolarHBondContact O-N 3.25Å
495K32.1Very low32.5Very low180 Ų180137.6 Ų137.678%0.78374%0.742SS**  trans-98.9121.8158.5-75.9-168.7177.4-177.30107.7I493I493-K495 VanDerWaalsContact C-N 3.3Å; I493-K495 HydrophobicContact CG2-CG 3.82Å; I493-K495 PolarHBondContact O-N 3.06Å
496Q32.9Very low32Very low185 Ų185140.5 Ų140.586%0.86476%0.761SS**  trans-63.4134.9163.2-80.4174.1-37.300109.9
497A31.6Very low31.7Very low87 Ų87145.2 Ų145.272%0.71978%0.782SS**  trans71.9128.5155.400000120.4
498D32.9Very low31.8Very low151 Ų151147.2 Ų147.281%0.80779%0.785SS**  trans89.5105.7149.9-59.5-19.3000121.9
499C31.9Very low31.6Very low112 Ų112148.5 Ų148.576%0.75779%0.794SS**  trans84.1108.6137.4-64.80000122.1
500N31.3Very low31.3Very low160 Ų160151.9 Ų151.986%0.85680%0.799SS**  trans76.7120.2143.4-70.2-13.9000121.1
501P28.8Very low31.3Very low117 Ų117147 Ų14776%0.7679%0.788SS**  trans-99149174.137.7-29.4000111.8
502L30.2Very low31.2Very low166 Ų166149.5 Ų149.587%0.86979%0.792SS**  trans-169.5141.3158.2-105157.3000111.1
503I33.6Very low31.3Very low144 Ų144147 Ų14774%0.73879%0.789SS**  trans94.585.5164-53.8161.2000114.4
504T34.3Very low31Very low133 Ų133146 Ų14682%0.81678%0.784SS**  73.8123.887.556.80000116.5
505T28.3Very low31Very low134 Ų134145.5 Ų145.582%0.82278%0.779SS**  trans-64.4141.8-17946.50000115
506D32.8Very low31.2Very low169 Ų169145 Ų14590%0.90478%0.781SS**  trans-138.1140150.1-102.1-31.3000112.3
507K30.6Very low31.2Very low199 Ų199143.9 Ų143.987%0.86578%0.781SS**  trans-72.7133.7-172.4-68.4168.9174174.20111.7
508L31.8Very low31.9Very low152 Ų152145.1 Ų145.180%0.79677%0.77SS**  trans-138.9119.7152-104.3109.3000111.3Y510L508-Y510 HydrophobicContact CD2-CE2 4.5Å
509S26.5Very low32.9Very low111 Ų111145.9 Ų145.978%0.77677%0.774SS**  trans-59.3132.916747.80000111.7
510Y29.6Very low34.6Very low197 Ų197145.4 Ų145.477%0.77376%0.764SS**  trans-131.5137.9167.1-103.8-92.9000111.6L508L508-Y510 HydrophobicContact CD2-CE2 4.5Å
511S30.9Very low36.7Very low80 Ų80138.7 Ų138.756%0.55973%0.728SS**  trans-64144.1-172.640.90000114.4T513S511-T513 VanDerWaalsContact C-N 3.34Å; S511-T513 PolarHBondContact O-N 3.35Å
512K29.5Very low39.4Very low199 Ų199136.8 Ų136.887%0.86571%0.708SS**THydrogen-bonded Turntrans-69.979.4170.5-75.9179.6171.6-178.90111
513T32.7Very low42.4Very low117 Ų117128.9 Ų128.972%0.71867%0.667SS**THydrogen-bonded Turntrans-155.1-5.9164.233.90000115.1S511S511-T513 VanDerWaalsContact C-N 3.34Å; S511-T513 PolarHBondContact O-N 3.35Å
514D27.6Very low45.4Very low121 Ų121122.1 Ų122.165%0.64763%0.633SS**  trans-105.727.7-173.6-73.6-25.4000115.5M516D514-M516 VanDerWaalsContact C-N 3.33Å; D514-M516 PolarHBondContact O-N 3.38Å
515H32.1Very low48.4Very low142 Ų142115.8 Ų115.866%0.65759%0.594SS**THydrogen-bonded Turntrans-813.4-173.9-84-40.5000116.9
516M36.2Very low51.7Low168 Ų168109.4 Ų109.483%0.82856%0.555SS**THydrogen-bonded Turntrans-95.50.8-176.6-71.8-65.4-161.200115.4D514D514-M516 VanDerWaalsContact C-N 3.33Å; D514-M516 PolarHBondContact O-N 3.38Å
517N31.6Very low54.7Low163 Ų163102.5 Ų102.587%0.87252%0.519SS*.  trans-110.943.4179.5-134.210.6000112.5
518K46.8Very low57.8Low112 Ų11293 Ų9349%0.48748%0.478SS..SBendtrans-88130.8169.3-751801781750108.2L520K518-L520 PolarHBondContact O-N 3.1Å
519D54.7Low60.7Low168 Ų16887.7 Ų87.790%0.89845%0.448SS*.  trans-47.6107.5-178.7-66.7-38.3000110.9
520L67.8Low64Low102 Ų10282.4 Ų82.453%0.53441%0.412SS..  trans-58.2140.7175.9-70.7164.4000108.9Q388 K518 Q522Q388-L520 VanDerWaalsContact OE1-CD2 3.32Å; K518-L520 PolarHBondContact O-N 3.1Å; L520-Q522 PolarHBondContact O-N 3.37Å
521I73.7Confident67Low19 Ų1973.5 Ų73.510%0.09738%0.377CS..  trans-59.6124.9177.4-59.6172.1000108.3T483 N484 F486 L523T483-I521 WeakPolarHBondContact O-CD1 3.44Å; N484-I521 WeakPolarHBondContact O-CD1 3.42Å; F486-I521 HydrophobicContact CD2-CD1 4.49Å; F486-I521 HydrophobicContact CD2-CG1 4.24Å; F486-I521 HydrophobicContact CE2-CD1 4.39Å; F486-I521 HydrophobicContact CE2-CG1 4.28Å; I521-L523 HydrophobicContact CG2-CD2 3.48Å; I521-L523 VanDerWaalsContact CG2-CD2 3.48Å; I521-L523 HydrophobicContact CG2-CG 4.05Å
522Q86.7Confident69.6Low76 Ų7673.2 Ų73.236%0.35537%0.367SS..  trans-116.6119.2172.6-66.4-179.7-2.900107.9K385 L520 F524K385-Q522 VanDerWaalsContact CE-CD 3.47Å; K385-Q522 VanDerWaalsContact NZ-NE2 3.18Å; L520-Q522 PolarHBondContact O-N 3.37Å; Q522-F524 HydrophobicContact CB-CE2 3.85Å; Q522-F524 HydrophobicContact CB-CZ 3.88Å
523L93.5Very high71.6Confident0 Ų065 Ų650%033%0.334CS..EExtended strand (participates in β ladder)trans-106.7147.1174.2-40.3173.4000108.6K385 L386 H413 G414 Y415 I479 I521K385-L523 WeakPolarHBondContact CA-O 3.34Å; L386-L523 HydrophobicContact CB-CB 4.13Å; L386-L523 HydrophobicContact CB-CD1 4.49Å; L386-L523 PolarHBondContact N-O 3.35Å; L386-L523 PolarHBondContact O-N 2.8Å; H413-L523 CarbonylContact O-C 3.53Å; H413-L523 WeakPolarHBondContact O-CA 3.24Å; G414-L523 WeakPolarHBondContact O-CD2 3.36Å; Y415-L523 HydrophobicContact CD1-CD1 4.06Å; Y415-L523 HydrophobicContact CD1-CD2 4.28Å; Y415-L523 HydrophobicContact CE1-CB 3.9Å; Y415-L523 HydrophobicContact CE1-CD1 3.65Å; Y415-L523 HydrophobicContact CE1-CD2 4.44Å; Y415-L523 HydrophobicContact CE1-CG 4.22Å; Y415-L523 HydrophobicContact CE2-CB 4.24Å; I479-L523 HydrophobicContact CD1-CD1 3.73Å; I521-L523 HydrophobicContact CG2-CD2 3.48Å; I521-L523 VanDerWaalsContact CG2-CD2 3.48Å; I521-L523 HydrophobicContact CG2-CG 4.05Å
524F95.8Very high72.8Confident3 Ų366.9 Ų66.91%0.01333%0.333CS..EExtended strand (participates in β ladder)trans-133.8129.7180-57.3-81.1000110.2I267 K268 W275 R384 K385 I412 H413 Y415 Q522I267-F524 HydrophobicContact CG2-CB 4.17Å; I267-F524 HydrophobicContact CG2-CD1 3.22Å; I267-F524 HydrophobicContact CG2-CD2 3.95Å; I267-F524 HydrophobicContact CG2-CE1 3.38Å; I267-F524 HydrophobicContact CG2-CE2 4.1Å; I267-F524 HydrophobicContact CG2-CG 3.51Å; I267-F524 HydrophobicContact CG2-CZ 3.82Å; K268-F524 HydrophobicContact CG-CE2 4.26Å; W275-F524 AromaticContact CH2-CD1 3.88Å; W275-F524 HydrophobicContact CH2-CD1 3.88Å; W275-F524 AromaticContact CH2-CE1 3.94Å; W275-F524 HydrophobicContact CH2-CE1 3.94Å; W275-F524 HydrophobicContact CZ2-CD1 4.21Å; W275-F524 AromaticContact CZ2-CE1 3.8Å; W275-F524 HydrophobicContact CZ2-CE1 3.8Å; R384-F524 WeakPolarHBondContact O-CA 3.38Å; K385-F524 HydrophobicContact CB-CD1 4.02Å; K385-F524 HydrophobicContact CB-CE1 3.86Å; K385-F524 HydrophobicContact CD-CE1 3.97Å; K385-F524 HydrophobicContact CG-CD1 4.2Å; K385-F524 HydrophobicContact CG-CE1 3.64Å; K385-F524 HydrophobicContact CG-CZ 4.36Å; I412-F524 WeakPolarHBondContact CA-O 3.46Å; I412-F524 HydrophobicContact CB-CB 4.33Å; I412-F524 WeakPolarHBondContact CB-O 2.88Å; I412-F524 PolarHBondContact N-O 2.9Å; H413-F524 HydrophobicContact CB-CD2 4.33Å; H413-F524 PolarHBondContact N-O 3.46Å; H413-F524 VanDerWaalsContact N-O 3.1Å; H413-F524 PolarHBondContact O-N 3.07Å; Y415-F524 WeakPolarHBondContact CE2-O 3.43Å; Q522-F524 HydrophobicContact CB-CE2 3.85Å; Q522-F524 HydrophobicContact CB-CZ 3.88Å
525D96.8Very high73.2Confident0 Ų066 Ų660%034%0.336CS..EExtended strand (participates in β ladder)trans-143.5166.1173.861.931.6000111.6L383 R384 L386 L410 Y415L383-D525 CarbonylContact C-O 3.6Å; L383-D525 WeakPolarHBondContact CA-O 3.19Å; R384-D525 WeakPolarHBondContact CB-OD1 3.33Å; R384-D525 IonicContact CZ-OD1 3.63Å; R384-D525 IonicContact CZ-OD2 3.7Å; R384-D525 PolarHBondContact N-O 3.31Å; R384-D525 IonicContact NE-OD1 2.86Å; R384-D525 PolarHBondContact NE-OD1 3.17Å; R384-D525 IonicContact NE-OD2 3.46Å; R384-D525 IonicContact NH2-OD1 3.78Å; R384-D525 PolarHBondContact NH2-OD1 2.93Å; R384-D525 IonicContact NH2-OD2 3.48Å; R384-D525 PolarHBondContact NH2-OD2 3.38Å; R384-D525 PolarHBondContact O-N 3.25Å; L386-D525 WeakPolarHBondContact CD1-OD2 3.33Å; L410-D525 CarbonylContact O-C 3.53Å; L410-D525 WeakPolarHBondContact O-CA 3.44Å; L410-D525 VanDerWaalsContact O-CB 3.29Å; L410-D525 WeakPolarHBondContact O-CB 3.27Å; Y415-D525 HydrophobicContact CE2-CB 4.48Å; Y415-D525 WeakPolarHBondContact OH-CB 3.45Å; Y415-D525 PolarHBondContact OH-OD2 3.34Å
526L97.2Very high73.2Confident0 Ų061.5 Ų61.50%033%0.327CS..EExtended strand (participates in β ladder)trans-119.2123.4172.4179.272.2000108.3I304 I305 F308 P381 C382 L383 L409 L410 I412I304-L526 HydrophobicContact CG1-CD2 4.18Å; I305-L526 HydrophobicContact CG1-CD1 4.25Å; F308-L526 HydrophobicContact CB-CD2 3.91Å; F308-L526 HydrophobicContact CD1-CD2 4Å; F308-L526 HydrophobicContact CD2-CD2 3.62Å; F308-L526 HydrophobicContact CE1-CD2 4.43Å; F308-L526 HydrophobicContact CE2-CD2 4.12Å; F308-L526 HydrophobicContact CG-CD2 3.56Å; P381-L526 HydrophobicContact CB-CD1 3.86Å; C382-L526 WeakPolarHBondContact O-CA 3.22Å; L383-L526 HydrophobicContact CB-CD1 4.02Å; L383-L526 HydrophobicContact CD1-CB 4.25Å; L383-L526 HydrophobicContact CD1-CD1 4.39Å; L409-L526 WeakPolarHBondContact CA-O 3.5Å; L410-L526 HydrophobicContact CB-CB 4.23Å; L410-L526 PolarHBondContact N-O 3.2Å; L410-L526 PolarHBondContact O-N 2.95Å; I412-L526 HydrophobicContact CD1-CB 4.33Å
527S96Very high72.7Confident23 Ų2360.1 Ų60.116%0.16133%0.331CS..EExtended strand (participates in β ladder)trans-114.8133.2-178.2-176.70000111.5C382 L409C382-S527 PolarHBondContact N-O 3.16Å; C382-S527 PolarHBondContact O-N 3.01Å; L409-S527 WeakPolarHBondContact CD2-OG 3.43Å
528I95.5Very high72.8Confident0 Ų060.1 Ų60.10%033%0.326CS..EExtended strand (participates in β ladder)trans-152.6145.8177.1179.3162.3000110.2F308 L378 P381 C408 Y530F308-I528 HydrophobicContact CD1-CG2 4Å; F308-I528 WeakPolarHBondContact O-CD1 3.32Å; L378-I528 HydrophobicContact CB-CD1 4.1Å; L378-I528 HydrophobicContact CB-CG1 4.32Å; L378-I528 HydrophobicContact CD1-CD1 3.4Å; L378-I528 VanDerWaalsContact CD1-CD1 3.4Å; L378-I528 HydrophobicContact CD1-CG1 4.43Å; L378-I528 HydrophobicContact CG-CD1 4.35Å; P381-I528 HydrophobicContact CB-CD1 4.26Å; P381-I528 HydrophobicContact CG-CD1 3.75Å; C408-I528 HydrophobicContact CB-CG2 3.76Å; C408-I528 WeakPolarHBondContact CB-O 3.49Å; C408-I528 PolarHBondContact N-O 2.85Å; C408-I528 PolarHBondContact O-N 3.46Å; C408-I528 VanDerWaalsContact O-O 3.13Å; I528-Y530 HydrophobicContact CD1-CE1 3.77Å; I528-Y530 HydrophobicContact CD1-CE2 4.35Å; I528-Y530 HydrophobicContact CG1-CE1 4.21Å; I528-Y530 HydrophobicContact CG1-CE2 4.08Å; I528-Y530 HydrophobicContact CG2-CE2 3.69Å
529K94.6Very high72.2Confident40 Ų4060.2 Ų60.217%0.17433%0.332CS..EExtended strand (participates in β ladder)trans-118.3136.7171.9-44.2-173.1-178.3-1600109.6L378 T379 E407 F531L378-K529 CarbonylContact C-O 3.58Å; L378-K529 WeakPolarHBondContact CA-O 3.28Å; L378-K529 WeakPolarHBondContact CB-O 3.38Å; T379-K529 HydrophobicContact CG2-CB 4Å; T379-K529 HydrophobicContact CG2-CG 4.25Å; T379-K529 PolarHBondContact N-O 2.86Å; T379-K529 PolarHBondContact OG1-N 3.16Å; E407-K529 HydrophobicContact CG-CD 4.08Å; E407-K529 HydrophobicContact CG-CG 4.09Å; E407-K529 VanDerWaalsContact OE1-CE 3.3Å; E407-K529 WeakPolarHBondContact OE1-CE 3.43Å; E407-K529 IonicContact OE1-NZ 3.76Å; E407-K529 PolarHBondContact OE1-NZ 3.11Å; K529-F531 HydrophobicContact CB-CE2 4.24Å; K529-F531 HydrophobicContact CB-CZ 4.31Å
530Y94.8Very high71.1Confident1 Ų159 Ų590%0.00433%0.33CS..EExtended strand (participates in β ladder)trans-112.3123.7176.3-55.2-89.1000109.1F308 L314 L317 L378 R405 L406 C408 I528F308-Y530 PolarHBondContact O-OH 3.12Å; L314-Y530 HydrophobicContact CD2-CD1 3.35Å; L314-Y530 HydrophobicContact CD2-CE1 3.63Å; L314-Y530 HydrophobicContact CD2-CG 4.3Å; L317-Y530 HydrophobicContact CD1-CD2 3.75Å; L317-Y530 HydrophobicContact CD1-CE1 4.13Å; L317-Y530 HydrophobicContact CD1-CE2 3.27Å; L317-Y530 HydrophobicContact CD1-CG 4.36Å; L317-Y530 VanDerWaalsContact CD1-CZ 3.47Å; L378-Y530 HydrophobicContact CB-CD1 3.82Å; L378-Y530 HydrophobicContact CB-CE1 4.25Å; R405-Y530 CarbonylContact C-O 3.53Å; R405-Y530 WeakPolarHBondContact CA-O 3.31Å; R405-Y530 VanDerWaalsContact CB-O 3.32Å; R405-Y530 WeakPolarHBondContact CB-O 3.48Å; L406-Y530 PolarHBondContact N-O 3.34Å; L406-Y530 PolarHBondContact O-N 3.29Å; C408-Y530 HydrophobicContact CB-CD2 4.16Å; C408-Y530 HydrophobicContact CB-CE2 3.65Å; I528-Y530 HydrophobicContact CD1-CE1 3.77Å; I528-Y530 HydrophobicContact CD1-CE2 4.35Å; I528-Y530 HydrophobicContact CG1-CE1 4.21Å; I528-Y530 HydrophobicContact CG1-CE2 4.08Å; I528-Y530 HydrophobicContact CG2-CE2 3.69Å
531F91.7Very high69.2Low10 Ų1061.8 Ų61.84%0.04435%0.346CS..EExtended strand (participates in β ladder)trans-101.6128.7-175.2-62.9-88.3000110.8K211 T376 H377 T379 R405 K529 S533K211-F531 HydrophobicContact CD-CD2 4.24Å; K211-F531 HydrophobicContact CD-CE2 4.43Å; K211-F531 HydrophobicContact CD-CG 4.49Å; K211-F531 HydrophobicContact CG-CD2 4.08Å; K211-F531 HydrophobicContact CG-CE2 4.04Å; T376-F531 WeakPolarHBondContact CG2-O 3.36Å; H377-F531 PolarHBondContact N-O 3.48Å; H377-F531 PolarHBondContact O-N 2.62Å; T379-F531 HydrophobicContact CG2-CE2 3.74Å; T379-F531 HydrophobicContact CG2-CZ 4.23Å; R405-F531 HydrophobicContact CB-CD1 3.83Å; R405-F531 HydrophobicContact CB-CE1 4.12Å; R405-F531 HydrophobicContact CB-CG 4.4Å; K529-F531 HydrophobicContact CB-CE2 4.24Å; K529-F531 HydrophobicContact CB-CZ 4.31Å; F531-S533 PolarHBondContact O-N 3.39Å
532E85.7Confident67.1Low74 Ų7465.6 Ų65.635%0.34637%0.374SS..PPolyproline II helixtrans-60.5136.5176.8-168.8171.2-15100110.5W404 Y467 K534W404-E532 HydrophobicContact CB-CB 4.38Å; W404-E532 PolarHBondContact O-N 3.37Å; W404-E532 VanDerWaalsContact O-N 3.14Å; Y467-E532 PolarHBondContact OH-OE2 3.5Å; E532-K534 PolarHBondContact O-N 2.9Å
533S71.3Confident64.4Low27 Ų2770.4 Ų70.419%0.18940%0.401CS..PPolyproline II helixtrans-63.5124.7174.5-49.10000108.4C374 L375 T376 F531 S535C374-S533 WeakPolarHBondContact O-CB 3.26Å; C374-S533 PolarHBondContact O-OG 3.22Å; L375-S533 VanDerWaalsContact C-OG 3.26Å; L375-S533 PolarHBondContact O-OG 2.94Å; T376-S533 PolarHBondContact N-OG 2.8Å; F531-S533 PolarHBondContact O-N 3.39Å; S533-S535 PolarHBondContact O-N 2.96Å
534K57.8Low61.4Low156 Ų15678.5 Ų78.568%0.67844%0.439SS*.  trans-57.2101.2-178.3-73.6-173.1177.4-177.40110.5E532 G536 D539E532-K534 PolarHBondContact O-N 2.9Å; K534-G536 PolarHBondContact O-N 3.33Å; K534-D539 IonicContact NZ-OD2 3.69Å; K534-D539 PolarHBondContact NZ-OD2 3.1Å
535S36.8Very low58.3Low103 Ų10383.9 Ų83.972%0.7248%0.477SS*.  trans-92.971.3163.764.80000109S533S533-S535 PolarHBondContact O-N 2.96Å
536G31.3Very low55.2Low46 Ų4690.8 Ų90.847%0.47451%0.514SS..SBendtrans-161138.4177.400000111.2K534 E538K534-G536 PolarHBondContact O-N 3.33Å; G536-E538 PolarHBondContact O-N 3.45Å
537P27.3Very low52.1Low139 Ų13997.8 Ų97.890%0.90355%0.551SS**SBendtrans-85.454.4-172.737.4-35.7000111.6
538E32.9Very low49.3Very low163 Ų163104.2 Ų104.276%0.76258%0.584SS**  trans-143.8134.2171.3-64.7-167.9168.900108G536G536-E538 PolarHBondContact O-N 3.45Å
539D33.6Very low46.2Very low114 Ų114111.7 Ų111.761%0.6162%0.624SS**  trans98.424.9-175.6-52.5-29.3000118.9K534K534-D539 IonicContact NZ-OD2 3.69Å; K534-D539 PolarHBondContact NZ-OD2 3.1Å
540V31.6Very low43.3Very low143 Ų143118.7 Ų118.787%0.86766%0.657SS**  trans-103.966.2157.1-170.50000108.4
541N29Very low40.2Very low161 Ų161124.8 Ų124.886%0.86169%0.694SS**SBendtrans-163.242.2171.5-97.3-19.4000112.5
542S29.4Very low37.3Very low99 Ų99129.3 Ų129.369%0.69273%0.727SS**SBendtrans-148.627.717359.60000114.1
543L29.8Very low34.5Very low176 Ų176130.8 Ų130.892%0.92175%0.745SS**  trans-151.958.5173.6-93.9163.5000109.6
544Q30.9Very low32.7Very low171 Ų171136.8 Ų136.880%0.79977%0.774SS**  trans-126.7108159.9-87.9-176.3-1400109.5D546Q544-D546 PolarHBondContact O-N 2.78Å; Q544-D546 VanDerWaalsContact O-N 3.16Å
545S29.6Very low31.3Very low115 Ų115133.8 Ų133.880%0.80477%0.772SS**  trans-62.897.9164.952.60000109.8N547S545-N547 PolarHBondContact O-N 3.44Å
546D32.4Very low30.8Very low146 Ų146133.9 Ų133.978%0.78177%0.773SS**  trans-93.587.9165.4-82-17.4000109.5Q544 N548Q544-D546 PolarHBondContact O-N 2.78Å; Q544-D546 VanDerWaalsContact O-N 3.16Å; D546-N548 PolarHBondContact O-N 3.43Å
547N31.8Very low30.8Very low146 Ų146140.2 Ų140.278%0.78180%0.795SS**  trans-65.3112.1146-84.6-33.5000107S545S545-N547 PolarHBondContact O-N 3.44Å
548N36.6Very low30.9Very low159 Ų159138 Ų13885%0.8578%0.783SS**  trans-165.5121.8141.3-89.5-34.1000110.7D546D546-N548 PolarHBondContact O-N 3.43Å
549D31Very low30.9Very low157 Ų157137.4 Ų137.484%0.8478%0.78SS**  trans-54.6138.9168.2-62.5-64.2000112.3
550E33.6Very low30.9Very low186 Ų186139 Ų13987%0.86978%0.782SS**  177.8100.9124.8-98.9-175.6168.500112.7
551V29.7Very low30.9Very low130 Ų130140.3 Ų140.379%0.78878%0.778SS**  29.5119.7126.7-170.30000119.9
552S31.2Very low31Very low104 Ų104138.6 Ų138.673%0.72778%0.779SS**  trans132.5103.4130.263.20000113.7
553S27.8Very low31Very low105 Ų105141.2 Ų141.273%0.73478%0.784SS**  83.2128.286.2-590000114.9
554I31.6Very low31.2Very low153 Ų153139.9 Ų139.979%0.78578%0.776SS**  trans124.598.7142.1-64.7156.9000116.6
555S29.1Very low31Very low93 Ų93136.5 Ų136.565%0.6577%0.771SS**  62.3109.9125.389.10000119.5
556S27.3Very low30.9Very low105 Ų105136 Ų13673%0.73477%0.767SS**  70.312291.677.60000115.1
557L31.2Very low30.8Very low180 Ų180134.3 Ų134.394%0.94277%0.767SS**  trans-163.7141.8138.9-100.4166.6000109.8
558S29.2Very low30.6Very low91 Ų91136.1 Ų136.164%0.63677%0.771SS**  trans-114.4172-162.252.10000112.4
559E31.8Very low30.4Very low151 Ų151136.9 Ų136.971%0.70678%0.775SS**  trans76.2143.4159.1-61.3-171.8170.300116.5
560K35.1Very low30.2Very low148 Ų148132.7 Ų132.764%0.64377%0.769SS**  cis-169.1146.815.5-124.2162.8-173.6146.40109.8
561E30Very low30Very low170 Ų170131.8 Ų131.879%0.79477%0.77SS**  trans34128.7141.5-64.1174.1158.600122.5
562S32.8Very low29.9Very low125 Ų125130.7 Ų130.787%0.87477%0.769SS**  -176.2155.1107.944.80000113.6
563I29.4Very low30Very low155 Ų155132.4 Ų132.480%0.79577%0.77SS**  trans-83.9152.3-164.7-55.2167.8000110.7
564I32.4Very low30.1Very low148 Ų148135 Ų13576%0.75977%0.774SS**  155.9113.5127.9-76.3163.5000114
565S28.1Very low29.9Very low99 Ų99135.5 Ų135.569%0.69277%0.773SS**  trans57.3122.5140.677.20000125.1
566S26.8Very low30Very low104 Ų104137.5 Ų137.573%0.72778%0.777SS**  71.9116.7123.867.90000121.8
567S30.6Very low30.4Very low112 Ų112140.6 Ų140.678%0.78379%0.785SS**  158.5110.8122.243.10000108.8
568Q27.1Very low30.7Very low184 Ų184140.2 Ų140.286%0.8678%0.778SS**  48.5105.3106-81.4-168.2-43.200115.1
569N32.6Very low30.9Very low174 Ų174143.8 Ų143.893%0.9379%0.79SS**  trans-173.6126.1144.8-81.7-21.1000104.2
570G26.2Very low31.1Very low70 Ų70145.4 Ų145.472%0.72280%0.798SS**  cis101.173.524.200000108.5
571D30.9Very low31Very low166 Ų166147.2 Ų147.289%0.88881%0.808SS**  trans-116.3121.7167.6-94.8-24000109.7
572S27.2Very low31.7Very low108 Ų108145.1 Ų145.176%0.75581%0.807SS**  trans-134.6114.8178.552.90000106.1
573D32.1Very low31.6Very low140 Ų140146.3 Ų146.375%0.74980%0.804SS**  trans-141.6128.7172.9-86.1-21.5000105.4
574L30.6Very low32.2Very low158 Ų158146.8 Ų146.883%0.82780%0.803SS**  cis-153.4130.56.1-84.6148.2000107
575Q28.1Very low32.5Very low164 Ų164146.1 Ų146.177%0.76680%0.799SS**  trans-146.6115.1159.4-109.6177.1-9.900106.1
576N29.9Very low33Very low136 Ų136154.7 Ų154.773%0.72782%0.824SS**  trans163.8125.2142.5-81.9-13.1000107.4
577D35.7Very low33.3Very low169 Ų169157.2 Ų157.290%0.90483%0.829SS**  -150.7140124.9-91.7-25.9000109.2
578E37.9Very low33.4Very low172 Ų172159.6 Ų159.680%0.80483%0.831SS**  trans-89.9162.3-153.5-62178142.600113.2
579D33.2Very low33.8Very low166 Ų166158.2 Ų158.289%0.88883%0.83SS**  trans-56.1125.6169.8-62.5-60.9000112.1
580E37.4Very low33.8Very low186 Ų186157.3 Ų157.387%0.86982%0.824SS**  trans-114.1108.8154.6-94-166.616900110.6
581E31.9Very low34.3Very low185 Ų185162.8 Ų162.886%0.86483%0.83SS**  trans-69.2117.5168.7-166.6176.3-143.900109.2
582V43.9Very low34.5Very low127 Ų127162.5 Ų162.577%0.7783%0.826SS**  trans-125.892166.1-173.10000109.2
583D32.1Very low35.1Very low149 Ų149166.4 Ų166.480%0.79783%0.831SS**  trans-68.4123.4150-98.1-29.7000108.3
584E41Very low35.3Very low165 Ų165168.5 Ų168.577%0.77184%0.838SS**  trans-164.7108.5139.4-102.6-163.6161.100112.9
585I38.3Very low35.7Very low135 Ų135169.3 Ų169.369%0.69284%0.838SS**  70.1107.9129.3-55.5167.6000119.6
586K38.7Very low36.4Very low278 Ų278169.8 Ų169.8100%1.20985%0.845SS**  trans98.90156.8-82.8-175.7179.8176.60119.9

Retrieved 586 of 586 residues in 711.8 ms (Link to these results)

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