A0A077ZLG6_TRITR Loading...

F bP aldolase and UPF0047 and TIM domain containi ng protein

AlphaFold DB , UniProt , Accession A0A077ZLG6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 573 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
1M92.2Very high85.8Confident73 Ų7367.2 Ų67.236%0.3634%0.337SS..  0-68.60-177.5-172.2-82.100110.6L3 K4 A5 V12 P36 M38 P68 V70M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 2.76Å; M1-K4 WeakPolarHBondContact O-CB 3.25Å; M1-K4 PolarHBondContact O-N 2.86Å; M1-A5 PolarHBondContact O-N 3Å; M1-V12 HydrophobicContact CG-CG2 4Å; M1-V12 HydrophobicContact SD-CG1 3.92Å; M1-V12 HydrophobicContact SD-CG2 4.23Å; M1-P36 HydrophobicContact CE-CB 3.91Å; M1-P36 HydrophobicContact CG-CB 4.41Å; M1-P36 HydrophobicContact SD-CB 4.36Å; M1-M38 HydrophobicContact SD-CG 3.9Å; M1-P68 HydrophobicContact CE-CB 3.65Å; M1-P68 WeakPolarHBondContact CE-O 3.25Å; M1-V70 HydrophobicContact CE-CB 4.28Å; M1-V70 HydrophobicContact CE-CG2 3.53Å; M1-V70 HydrophobicContact SD-CB 4.47Å; M1-V70 HydrophobicContact SD-CG2 3.91Å
2L96.3Very high86.7Confident22 Ų2261.7 Ų61.712%0.11531%0.309CS..Hα-helixtrans-63.1-32.3-175.7-58.8-175.1000114.9K4 A5 S6 V12 M38 P196 A219 K220L2-K4 VanDerWaalsContact C-N 3.26Å; L2-K4 PolarHBondContact O-N 2.82Å; L2-A5 WeakPolarHBondContact O-CB 3.33Å; L2-A5 PolarHBondContact O-N 3.49Å; L2-S6 PolarHBondContact O-N 2.89Å; L2-V12 HydrophobicContact CD2-CB 4.22Å; L2-V12 HydrophobicContact CD2-CG2 4.2Å; L2-M38 HydrophobicContact CD1-SD 4.17Å; L2-M38 HydrophobicContact CD2-SD 3.87Å; L2-M38 HydrophobicContact CG-SD 4.28Å; L2-P196 HydrophobicContact CB-CB 3.75Å; L2-P196 HydrophobicContact CB-CG 3.94Å; L2-A219 HydrophobicContact CB-CB 4.29Å; L2-A219 HydrophobicContact CD2-CB 4.49Å; L2-A219 WeakPolarHBondContact CD2-O 3.32Å; L2-K220 HydrophobicContact CD1-CB 4.22Å; L2-K220 HydrophobicContact CD1-CD 4.4Å; L2-K220 HydrophobicContact CD2-CB 3.88Å
3L93.8Very high87.4Confident127 Ų12757.6 Ų57.667%0.66529%0.29SS*.Hα-helixtrans-58.4-37.7172.2-68171.9000112.7M1 K7 P196M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 2.76Å; L3-K7 VanDerWaalsContact O-CB 3.3Å; L3-K7 WeakPolarHBondContact O-CB 3.26Å; L3-K7 PolarHBondContact O-N 2.67Å; L3-K7 VanDerWaalsContact O-N 3.15Å; L3-P196 HydrophobicContact CD2-CG 3.81Å; L3-P196 HydrophobicContact CG-CG 4.32Å
4K86.5Confident88.2Confident107 Ų10753.5 Ų53.547%0.46527%0.269SS..Hα-helixtrans-67.9-47.2175.6-174.9-177.6173.2-176.50110M1 L2 S6 K7 E8 Y10M1-K4 WeakPolarHBondContact O-CB 3.25Å; M1-K4 PolarHBondContact O-N 2.86Å; L2-K4 VanDerWaalsContact C-N 3.26Å; L2-K4 PolarHBondContact O-N 2.82Å; K4-S6 PolarHBondContact O-N 3.39Å; K4-K7 PolarHBondContact O-N 3Å; K4-E8 WeakPolarHBondContact CE-OE1 3.41Å; K4-E8 WeakPolarHBondContact CE-OE2 3.36Å; K4-E8 HydrophobicContact CG-CG 4.33Å; K4-E8 WeakPolarHBondContact CG-OE1 3.44Å; K4-E8 IonicContact NZ-OE2 3.44Å; K4-E8 WeakPolarHBondContact O-CB 3.48Å; K4-E8 PolarHBondContact O-N 3.31Å; K4-Y10 HydrophobicContact CG-CE1 4.38Å
5A86Confident88.7Confident0 Ų049.9 Ų49.90%025%0.251CS..Hα-helixtrans-56.5-50.2178.100000112.3M1 L2 K7 E8 G9 Y10 V12 A219M1-A5 PolarHBondContact O-N 3Å; L2-A5 WeakPolarHBondContact O-CB 3.33Å; L2-A5 PolarHBondContact O-N 3.49Å; A5-K7 VanDerWaalsContact C-N 3.35Å; A5-K7 PolarHBondContact O-N 3.32Å; A5-E8 PolarHBondContact O-N 3.11Å; A5-G9 PolarHBondContact O-N 3.17Å; A5-Y10 CarbonylContact C-O 3.57Å; A5-Y10 VanDerWaalsContact C-O 3.29Å; A5-Y10 VanDerWaalsContact CA-CZ 3.42Å; A5-Y10 HydrophobicContact CB-CD2 3.81Å; A5-Y10 HydrophobicContact CB-CE1 4.3Å; A5-Y10 HydrophobicContact CB-CE2 3.45Å; A5-Y10 VanDerWaalsContact CB-CE2 3.45Å; A5-Y10 HydrophobicContact CB-CG 4.34Å; A5-Y10 VanDerWaalsContact CB-O 3.3Å; A5-Y10 WeakPolarHBondContact CB-O 3.28Å; A5-Y10 PolarHBondContact O-N 2.83Å; A5-Y10 VanDerWaalsContact O-N 3.1Å; A5-Y10 VanDerWaalsContact O-O 3.08Å; A5-V12 HydrophobicContact CB-CG2 4.12Å; A5-A219 HydrophobicContact CB-CB 4.11Å
6S85.9Confident89.2Confident18 Ų1847.7 Ų47.713%0.12624%0.24CC..Hα-helixtrans-61-40.6177.1-1690000112.9L2 K4L2-S6 PolarHBondContact O-N 2.89Å; K4-S6 PolarHBondContact O-N 3.39Å
7K79Confident89.7Confident187 Ų18744.9 Ų44.981%0.81323%0.226SC*.Hα-helixtrans-72.9-35.3-179.2-175.3178-179.9-179.90113.2L3 K4 A5L3-K7 VanDerWaalsContact O-CB 3.3Å; L3-K7 WeakPolarHBondContact O-CB 3.26Å; L3-K7 PolarHBondContact O-N 2.67Å; L3-K7 VanDerWaalsContact O-N 3.15Å; K4-K7 PolarHBondContact O-N 3Å; A5-K7 VanDerWaalsContact C-N 3.35Å; A5-K7 PolarHBondContact O-N 3.32Å
8E75.6Confident90Very high84 Ų8444.6 Ų44.639%0.39323%0.225SC..Hα-helixtrans-95.9-3.3-175.6-66.9179.6-171.500113.2K4 A5 Y10K4-E8 WeakPolarHBondContact CE-OE1 3.41Å; K4-E8 WeakPolarHBondContact CE-OE2 3.36Å; K4-E8 HydrophobicContact CG-CG 4.33Å; K4-E8 WeakPolarHBondContact CG-OE1 3.44Å; K4-E8 IonicContact NZ-OE2 3.44Å; K4-E8 WeakPolarHBondContact O-CB 3.48Å; K4-E8 PolarHBondContact O-N 3.31Å; A5-E8 PolarHBondContact O-N 3.11Å; E8-Y10 HydrophobicContact CB-CD1 3.77Å; E8-Y10 HydrophobicContact CB-CE1 3.75Å
9G75.5Confident90.3Very high32 Ų3245 Ų4533%0.3323%0.228SC..THydrogen-bonded Turntrans80.133.9171.700000114.5A5A5-G9 PolarHBondContact O-N 3.17Å
10Y83.2Confident90.7Very high68 Ų6846.4 Ų46.427%0.26724%0.236SC..  trans-130.1167.5174.371.4-94.6000111.1K4 A5 E8 V12K4-Y10 HydrophobicContact CG-CE1 4.38Å; A5-Y10 CarbonylContact C-O 3.57Å; A5-Y10 VanDerWaalsContact C-O 3.29Å; A5-Y10 VanDerWaalsContact CA-CZ 3.42Å; A5-Y10 HydrophobicContact CB-CD2 3.81Å; A5-Y10 HydrophobicContact CB-CE1 4.3Å; A5-Y10 HydrophobicContact CB-CE2 3.45Å; A5-Y10 VanDerWaalsContact CB-CE2 3.45Å; A5-Y10 HydrophobicContact CB-CG 4.34Å; A5-Y10 VanDerWaalsContact CB-O 3.3Å; A5-Y10 WeakPolarHBondContact CB-O 3.28Å; A5-Y10 PolarHBondContact O-N 2.83Å; A5-Y10 VanDerWaalsContact O-N 3.1Å; A5-Y10 VanDerWaalsContact O-O 3.08Å; E8-Y10 HydrophobicContact CB-CD1 3.77Å; E8-Y10 HydrophobicContact CB-CE1 3.75Å; Y10-V12 HydrophobicContact CE2-CG2 4Å
11A90.4Very high91Very high21 Ų2145.3 Ų45.317%0.17423%0.23CC..  trans-116.9147.8173.800000111.8A214 I218 A219 I221A11-A214 HydrophobicContact CB-CB 3.53Å; A11-I218 WeakPolarHBondContact CB-O 3.13Å; A11-A219 CarbonylContact C-O 3.59Å; A11-A219 WeakPolarHBondContact CA-O 3.44Å; A11-I221 HydrophobicContact CB-CD1 3.65Å; A11-I221 HydrophobicContact CB-CG1 3.75Å
12V95.5Very high91.2Very high1 Ų142 Ų421%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-92.7126.8170.4-177.60000108.6M1 L2 A5 Y10 P36 M38 A219 K220 I221M1-V12 HydrophobicContact CG-CG2 4Å; M1-V12 HydrophobicContact SD-CG1 3.92Å; M1-V12 HydrophobicContact SD-CG2 4.23Å; L2-V12 HydrophobicContact CD2-CB 4.22Å; L2-V12 HydrophobicContact CD2-CG2 4.2Å; A5-V12 HydrophobicContact CB-CG2 4.12Å; Y10-V12 HydrophobicContact CE2-CG2 4Å; V12-P36 HydrophobicContact CG1-CB 4.39Å; V12-P36 HydrophobicContact CG2-CB 4.46Å; V12-P36 HydrophobicContact CG2-CG 4.07Å; V12-M38 HydrophobicContact CG1-CG 4Å; V12-A219 PolarHBondContact N-O 3.12Å; V12-K220 WeakPolarHBondContact O-CA 3.19Å; V12-I221 PolarHBondContact O-N 2.99Å
13P96.4Very high91.3Very high9 Ų941 Ų416%0.05821%0.209CC..EExtended strand (participates in β ladder)trans-67.5139.8173.227.1-31.5000110.4T15 L37 M38 L258 Y262P13-T15 HydrophobicContact CB-CG2 4.39Å; P13-L37 HydrophobicContact CG-CD1 4.14Å; P13-L37 WeakPolarHBondContact O-CD1 3.14Å; P13-M38 PolarHBondContact O-N 3.29Å; P13-L258 HydrophobicContact CB-CD1 4.04Å; P13-L258 HydrophobicContact CG-CD1 3.91Å; P13-Y262 HydrophobicContact CG-CE1 3.63Å; P13-Y262 HydrophobicContact CG-CE2 4.11Å; P13-Y262 VanDerWaalsContact CG-OH 3.23Å; P13-Y262 WeakPolarHBondContact CG-OH 3.48Å
14A98Very high91.5Very high0 Ų040.3 Ų40.30%020%0.197CC..EExtended strand (participates in β ladder)trans-118.1108.3173.400000108.5M38 P40 K220 I221 N222 I223A14-M38 WeakPolarHBondContact CA-O 3.23Å; A14-M38 HydrophobicContact CB-CB 3.86Å; A14-P40 HydrophobicContact CB-CG 3.79Å; A14-K220 HydrophobicContact CB-CD 4.31Å; A14-K220 HydrophobicContact CB-CG 3.9Å; A14-I221 PolarHBondContact N-O 2.96Å; A14-N222 WeakPolarHBondContact O-CA 3.43Å; A14-I223 PolarHBondContact O-N 3.29Å
15T96.4Very high92.1Very high0 Ų036 Ų360%018%0.18CC..EExtended strand (participates in β ladder)trans-114.297.6-168.360.60000110.9P13 F17 F26 L37 M38 P40 F227 L258P13-T15 HydrophobicContact CB-CG2 4.39Å; T15-F17 PolarHBondContact O-N 3.32Å; T15-F26 WeakPolarHBondContact OG1-CD2 3.15Å; T15-F26 VanDerWaalsContact OG1-CG 3.27Å; T15-F26 WeakPolarHBondContact OG1-CG 3.43Å; T15-L37 HydrophobicContact CG2-CD1 4.02Å; T15-M38 PolarHBondContact N-O 3.21Å; T15-P40 VanDerWaalsContact C-CD 3.44Å; T15-P40 VanDerWaalsContact O-CD 3.29Å; T15-P40 WeakPolarHBondContact O-CD 3.28Å; T15-F227 HydrophobicContact CG2-CE1 4.4Å; T15-F227 HydrophobicContact CG2-CE2 3.43Å; T15-F227 VanDerWaalsContact CG2-CE2 3.43Å; T15-F227 HydrophobicContact CG2-CZ 3.36Å; T15-L258 HydrophobicContact CG2-CD1 3.9Å
16N96.1Very high92.7Very high14 Ų1436 Ų368%0.07518%0.18CC..  trans-56.5125.6-175.3-69.44.7000110.3P40 D74 F224N16-P40 VanDerWaalsContact CA-O 3.3Å; N16-P40 WeakPolarHBondContact CA-O 3.16Å; N16-P40 WeakPolarHBondContact OD1-CB 3.4Å; N16-P40 VanDerWaalsContact OD1-CG 3.28Å; N16-P40 WeakPolarHBondContact OD1-CG 3.49Å; N16-D74 PolarHBondContact ND2-OD2 3.2Å; N16-D74 PolarHBondContact OD1-OD2 3.26Å; N16-F224 HydrophobicContact CB-CB 4.31Å; N16-F224 HydrophobicContact CB-CD2 3.59Å; N16-F224 HydrophobicContact CB-CE2 4.12Å; N16-F224 HydrophobicContact CB-CG 4.07Å; N16-F224 WeakPolarHBondContact O-CD2 3.2Å
17F97.5Very high93.3Very high0 Ų035.3 Ų35.30%018%0.175CC..  trans-96.9150.9175.472.9-86.7000110.7T15 A23 F26 L39 P40 F41 I49 A54 I57 L71T15-F17 PolarHBondContact O-N 3.32Å; F17-A23 HydrophobicContact CB-CB 3.78Å; F17-A23 HydrophobicContact CD1-CB 4.45Å; F17-A23 HydrophobicContact CD2-CB 3.82Å; F17-A23 HydrophobicContact CG-CB 3.77Å; F17-F26 HydrophobicContact CB-CE2 4.37Å; F17-L39 HydrophobicContact CB-CD1 4.11Å; F17-L39 HydrophobicContact CD1-CD1 3.65Å; F17-L39 HydrophobicContact CD1-CD2 4.34Å; F17-L39 HydrophobicContact CD1-CG 3.58Å; F17-L39 HydrophobicContact CE1-CD1 4.44Å; F17-L39 HydrophobicContact CE1-CD2 4.38Å; F17-L39 HydrophobicContact CE1-CG 3.88Å; F17-L39 HydrophobicContact CG-CD1 4.17Å; F17-L39 HydrophobicContact CG-CG 4.46Å; F17-P40 WeakPolarHBondContact CD1-O 3.42Å; F17-P40 WeakPolarHBondContact CE1-O 3.42Å; F17-P40 PolarHBondContact N-O 2.84Å; F17-F41 HydrophobicContact CE1-CB 3.84Å; F17-F41 HydrophobicContact CZ-CB 3.88Å; F17-I49 HydrophobicContact CD2-CD1 3.95Å; F17-I49 HydrophobicContact CE2-CD1 3.6Å; F17-A54 HydrophobicContact CE2-CB 4.09Å; F17-A54 HydrophobicContact CZ-CB 3.87Å; F17-I57 HydrophobicContact CE2-CB 4.48Å; F17-I57 HydrophobicContact CE2-CG2 4.24Å; F17-L71 HydrophobicContact CE1-CD1 4.03Å; F17-L71 HydrophobicContact CZ-CD1 4.31Å
18I95.6Very high94Very high40 Ų4030 Ų3021%0.20516%0.158CC..SBendtrans-123-8.5179.955.9168.6000112.6S22 H45 L48 F224 L228I18-S22 PolarHBondContact N-OG 2.94Å; I18-H45 WeakPolarHBondContact CG2-ND1 3.25Å; I18-L48 HydrophobicContact CB-CD1 4Å; I18-L48 HydrophobicContact CG2-CD1 3.87Å; I18-F224 HydrophobicContact CG2-CE2 3.9Å; I18-F224 HydrophobicContact CG2-CZ 3.91Å; I18-L228 HydrophobicContact CD1-CD2 3.97Å
19D96.1Very high94.8Very high52 Ų5226.2 Ų26.228%0.27814%0.141SC..SBendtrans-160.9-179.5178.464.38.9000110.9D21 S22 A23D19-D21 VanDerWaalsContact C-N 3.3Å; D19-D21 PolarHBondContact O-N 2.99Å; D19-D21 PolarHBondContact OD1-N 2.87Å; D19-D21 VanDerWaalsContact OD1-N 3.15Å; D19-S22 PolarHBondContact N-OG 2.88Å; D19-S22 PolarHBondContact O-OG 3.34Å; D19-S22 VanDerWaalsContact OD1-CB 3.3Å; D19-S22 WeakPolarHBondContact OD1-CB 3.44Å; D19-S22 PolarHBondContact OD1-N 3.2Å; D19-S22 PolarHBondContact OD1-OG 3.36Å; D19-A23 WeakPolarHBondContact O-CB 3.4Å; D19-A23 PolarHBondContact O-N 3.23Å
20L97.4Very high95.6Very high73 Ų7324.7 Ų24.738%0.38213%0.126SC..Hα-helixtrans-66.2-30.9176175.160.9000112.8R24 I57 L61L20-R24 WeakPolarHBondContact O-CB 3.39Å; L20-R24 PolarHBondContact O-N 3.32Å; L20-I57 HydrophobicContact CB-CD1 4.18Å; L20-I57 HydrophobicContact CB-CG1 4.5Å; L20-I57 HydrophobicContact CD1-CG1 4.38Å; L20-I57 HydrophobicContact CD1-CG2 3.87Å; L20-L61 HydrophobicContact CD1-CD1 4.42Å
21D97.1Very high95.8Very high24 Ų2424.5 Ų24.513%0.12813%0.127CC..Hα-helixtrans-74-49.1-173.2-70.8-21.6000111.3D19 R24 T25 K247D19-D21 VanDerWaalsContact C-N 3.3Å; D19-D21 PolarHBondContact O-N 2.99Å; D19-D21 PolarHBondContact OD1-N 2.87Å; D19-D21 VanDerWaalsContact OD1-N 3.15Å; D21-R24 PolarHBondContact O-N 3.48Å; D21-R24 IonicContact OD1-CZ 2.75Å; D21-R24 IonicContact OD1-NH2 2.88Å; D21-R24 PolarHBondContact OD1-NH2 3.45Å; D21-T25 VanDerWaalsContact O-CB 3.26Å; D21-T25 WeakPolarHBondContact O-CB 3.3Å; D21-T25 PolarHBondContact O-N 2.86Å; D21-T25 PolarHBondContact O-OG1 3.28Å; D21-K247 WeakPolarHBondContact OD2-CD 3.28Å; D21-K247 IonicContact OD2-NZ 2.93Å; D21-K247 PolarHBondContact OD2-NZ 3.15Å
22S97.2Very high95.5Very high3 Ų328.1 Ų28.12%0.02114%0.139CC..Hα-helixtrans-56.8-50.3171.253.90000111.2I18 D19 R24 T25 F26I18-S22 PolarHBondContact N-OG 2.94Å; D19-S22 PolarHBondContact N-OG 2.88Å; D19-S22 PolarHBondContact O-OG 3.34Å; D19-S22 VanDerWaalsContact OD1-CB 3.3Å; D19-S22 WeakPolarHBondContact OD1-CB 3.44Å; D19-S22 PolarHBondContact OD1-N 3.2Å; D19-S22 PolarHBondContact OD1-OG 3.36Å; S22-R24 PolarHBondContact O-N 3.46Å; S22-T25 WeakPolarHBondContact O-CB 3.4Å; S22-T25 PolarHBondContact O-N 3.37Å; S22-F26 WeakPolarHBondContact O-CD2 3.22Å; S22-F26 WeakPolarHBondContact O-CG 3.38Å; S22-F26 PolarHBondContact O-N 2.85Å
23A98.5Very high94.6Very high0 Ų029.3 Ų29.30%015%0.145CC..Hα-helixtrans-58.3-47.5-179.900000113F17 D19 T25 F26 V27 L39 I57 L61F17-A23 HydrophobicContact CB-CB 3.78Å; F17-A23 HydrophobicContact CD1-CB 4.45Å; F17-A23 HydrophobicContact CD2-CB 3.82Å; F17-A23 HydrophobicContact CG-CB 3.77Å; D19-A23 WeakPolarHBondContact O-CB 3.4Å; D19-A23 PolarHBondContact O-N 3.23Å; A23-T25 VanDerWaalsContact C-N 3.35Å; A23-F26 PolarHBondContact O-N 3.03Å; A23-V27 WeakPolarHBondContact O-CG2 3.32Å; A23-V27 PolarHBondContact O-N 3.2Å; A23-V27 VanDerWaalsContact O-N 3.09Å; A23-L39 HydrophobicContact CB-CD1 4.11Å; A23-L39 HydrophobicContact CB-CD2 4.26Å; A23-I57 HydrophobicContact CB-CG2 3.76Å; A23-L61 HydrophobicContact CB-CD1 3.61Å
24R98.3Very high93.8Very high113 Ų11333.3 Ų33.343%0.42617%0.166SC..Hα-helixtrans-65.1-39.8178170.5170.738.1173.6-7.5111.7L20 D21 S22 T28 L61L20-R24 WeakPolarHBondContact O-CB 3.39Å; L20-R24 PolarHBondContact O-N 3.32Å; D21-R24 PolarHBondContact O-N 3.48Å; D21-R24 IonicContact OD1-CZ 2.75Å; D21-R24 IonicContact OD1-NH2 2.88Å; D21-R24 PolarHBondContact OD1-NH2 3.45Å; S22-R24 PolarHBondContact O-N 3.46Å; R24-T28 VanDerWaalsContact O-CB 3.23Å; R24-T28 WeakPolarHBondContact O-CB 3.44Å; R24-T28 PolarHBondContact O-N 2.86Å; R24-T28 PolarHBondContact O-OG1 3.19Å; R24-L61 HydrophobicContact CB-CD1 4.34Å; R24-L61 HydrophobicContact CB-CD2 4.32Å
25T98.4Very high93.4Very high16 Ų1636.9 Ų36.910%0.09818%0.182CC..Hα-helixtrans-60.6-50177.8-63.10000110.1D21 S22 A23 V27 T28 V29 N251 M254 A255D21-T25 VanDerWaalsContact O-CB 3.26Å; D21-T25 WeakPolarHBondContact O-CB 3.3Å; D21-T25 PolarHBondContact O-N 2.86Å; D21-T25 PolarHBondContact O-OG1 3.28Å; S22-T25 WeakPolarHBondContact O-CB 3.4Å; S22-T25 PolarHBondContact O-N 3.37Å; A23-T25 VanDerWaalsContact C-N 3.35Å; T25-V27 PolarHBondContact O-N 3.23Å; T25-T28 PolarHBondContact O-N 3.45Å; T25-V29 WeakPolarHBondContact O-CG2 3.21Å; T25-V29 PolarHBondContact O-N 3.47Å; T25-N251 HydrophobicContact CG2-CB 4.48Å; T25-N251 VanDerWaalsContact CG2-O 3.26Å; T25-N251 WeakPolarHBondContact CG2-O 3.11Å; T25-M254 HydrophobicContact CG2-CB 4.14Å; T25-A255 HydrophobicContact CG2-CB 3.88Å
26F98.3Very high93.2Very high2 Ų238.1 Ų38.11%0.00919%0.19CC..Hα-helixtrans-61.2-46.4179.4-55.9-40.2000112.4T15 F17 S22 A23 T28 V29 A30 L37 L39 F227 M254 L258T15-F26 WeakPolarHBondContact OG1-CD2 3.15Å; T15-F26 VanDerWaalsContact OG1-CG 3.27Å; T15-F26 WeakPolarHBondContact OG1-CG 3.43Å; F17-F26 HydrophobicContact CB-CE2 4.37Å; S22-F26 WeakPolarHBondContact O-CD2 3.22Å; S22-F26 WeakPolarHBondContact O-CG 3.38Å; S22-F26 PolarHBondContact O-N 2.85Å; A23-F26 PolarHBondContact O-N 3.03Å; F26-T28 VanDerWaalsContact C-N 3.34Å; F26-T28 PolarHBondContact O-N 3.4Å; F26-V29 PolarHBondContact O-N 3.36Å; F26-A30 WeakPolarHBondContact O-CB 3.32Å; F26-A30 PolarHBondContact O-N 3.27Å; F26-L37 HydrophobicContact CB-CD2 3.65Å; F26-L37 WeakPolarHBondContact O-CD2 3.37Å; F26-L39 HydrophobicContact CB-CD1 4.45Å; F26-L39 HydrophobicContact CD2-CD1 4.12Å; F26-F227 HydrophobicContact CD1-CE1 4.34Å; F26-F227 AromaticContact CE1-CD1 3.53Å; F26-F227 HydrophobicContact CE1-CD1 3.53Å; F26-F227 HydrophobicContact CE1-CD2 4.41Å; F26-F227 AromaticContact CE1-CE1 3.71Å; F26-F227 HydrophobicContact CE1-CE1 3.71Å; F26-F227 AromaticContact CE1-CG 3.92Å; F26-F227 HydrophobicContact CE1-CG 3.92Å; F26-F227 HydrophobicContact CE1-CZ 4.24Å; F26-F227 HydrophobicContact CZ-CB 4.34Å; F26-F227 HydrophobicContact CZ-CD1 4.06Å; F26-F227 HydrophobicContact CZ-CD2 4.27Å; F26-F227 HydrophobicContact CZ-CE1 4.48Å; F26-F227 AromaticContact CZ-CG 3.96Å; F26-F227 HydrophobicContact CZ-CG 3.96Å; F26-M254 HydrophobicContact CE1-CB 3.98Å; F26-M254 HydrophobicContact CE1-CG 4.45Å; F26-M254 HydrophobicContact CE1-SD 4.32Å; F26-M254 HydrophobicContact CZ-SD 4.09Å; F26-L258 HydrophobicContact CB-CD2 3.9Å; F26-L258 HydrophobicContact CD1-CD2 3.95Å; F26-L258 HydrophobicContact CG-CD2 4.34Å
27V97.9Very high93.3Very high3 Ų337.5 Ų37.52%0.01819%0.186CC..Hα-helixtrans-63.3-41.1177.4172.70000111.3A23 T25 V29 A30 E31 L37 L39 L61 A65 I69A23-V27 WeakPolarHBondContact O-CG2 3.32Å; A23-V27 PolarHBondContact O-N 3.2Å; A23-V27 VanDerWaalsContact O-N 3.09Å; T25-V27 PolarHBondContact O-N 3.23Å; V27-V29 PolarHBondContact O-N 2.82Å; V27-A30 PolarHBondContact O-N 2.94Å; V27-E31 HydrophobicContact CG1-CG 4.36Å; V27-E31 WeakPolarHBondContact O-CG 3.35Å; V27-E31 PolarHBondContact O-N 3.05Å; V27-L37 HydrophobicContact CG2-CD2 4.24Å; V27-L39 HydrophobicContact CG2-CD2 3.98Å; V27-L61 HydrophobicContact CG1-CB 4.49Å; V27-L61 HydrophobicContact CG2-CB 4.09Å; V27-L61 HydrophobicContact CG2-CD1 4.45Å; V27-A65 HydrophobicContact CG1-CB 3.9Å; V27-I69 HydrophobicContact CG1-CD1 4.28Å; V27-I69 HydrophobicContact CG1-CG1 4.16Å; V27-I69 HydrophobicContact CG2-CD1 4.23Å; V27-I69 HydrophobicContact CG2-CG1 4.31Å; V27-I69 HydrophobicContact CG2-CG2 4.03Å
28T94.9Very high93.3Very high75 Ų7537.7 Ų37.746%0.4619%0.187SC..Hα-helixtrans-62.3-43.1178.5-60.20000111.2R24 T25 F26 E31 K32R24-T28 VanDerWaalsContact O-CB 3.23Å; R24-T28 WeakPolarHBondContact O-CB 3.44Å; R24-T28 PolarHBondContact O-N 2.86Å; R24-T28 PolarHBondContact O-OG1 3.19Å; T25-T28 PolarHBondContact O-N 3.45Å; F26-T28 VanDerWaalsContact C-N 3.34Å; F26-T28 PolarHBondContact O-N 3.4Å; T28-E31 PolarHBondContact O-N 3.18Å; T28-K32 WeakPolarHBondContact O-CB 3.33Å; T28-K32 PolarHBondContact O-N 2.93Å
29V91.4Very high93.5Very high5 Ų535.8 Ų35.83%0.0318%0.177CC..Hα-helixtrans-64.7-43.4175.3170.50000111.4T25 F26 V27 E31 K32 L33 A255 L258 E259T25-V29 WeakPolarHBondContact O-CG2 3.21Å; T25-V29 PolarHBondContact O-N 3.47Å; F26-V29 PolarHBondContact O-N 3.36Å; V27-V29 PolarHBondContact O-N 2.82Å; V29-E31 VanDerWaalsContact C-N 3.33Å; V29-E31 PolarHBondContact O-N 3.41Å; V29-K32 PolarHBondContact O-N 3Å; V29-L33 HydrophobicContact CG1-CD1 3.71Å; V29-L33 HydrophobicContact CG1-CG 4.29Å; V29-L33 WeakPolarHBondContact O-CB 3.29Å; V29-L33 VanDerWaalsContact O-CG 3.32Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 3.26Å; V29-A255 HydrophobicContact CG2-CB 3.55Å; V29-L258 HydrophobicContact CB-CD2 3.93Å; V29-L258 HydrophobicContact CB-CG 4.36Å; V29-L258 HydrophobicContact CG1-CB 4.07Å; V29-L258 HydrophobicContact CG1-CD2 3.89Å; V29-L258 HydrophobicContact CG1-CG 3.78Å; V29-E259 HydrophobicContact CG1-CG 3.74Å
30A92.4Very high93.6Very high0 Ų033.3 Ų33.30%016%0.164CC..Hα-helixtrans-60.5-42.917700000111.9F26 V27 N34 K35 L37 V67 I69F26-A30 WeakPolarHBondContact O-CB 3.32Å; F26-A30 PolarHBondContact O-N 3.27Å; V27-A30 PolarHBondContact O-N 2.94Å; A30-N34 PolarHBondContact O-N 2.83Å; A30-K35 PolarHBondContact O-N 2.92Å; A30-L37 HydrophobicContact CB-CB 3.66Å; A30-L37 HydrophobicContact CB-CD2 4.06Å; A30-L37 HydrophobicContact CB-CG 4.42Å; A30-V67 HydrophobicContact CB-CG2 4.09Å; A30-I69 HydrophobicContact CB-CD1 3.97Å
31E88.5Confident93.6Very high63 Ų6329.8 Ų29.829%0.29415%0.146SC..Hα-helixtrans-64.1-46.9174.2-72.7-167.5100.200112.2V27 T28 V29 L33 N34 A65 S66 V67V27-E31 HydrophobicContact CG1-CG 4.36Å; V27-E31 WeakPolarHBondContact O-CG 3.35Å; V27-E31 PolarHBondContact O-N 3.05Å; T28-E31 PolarHBondContact O-N 3.18Å; V29-E31 VanDerWaalsContact C-N 3.33Å; V29-E31 PolarHBondContact O-N 3.41Å; E31-L33 VanDerWaalsContact C-N 3.29Å; E31-L33 PolarHBondContact O-N 3.08Å; E31-N34 PolarHBondContact O-N 3.36Å; E31-A65 HydrophobicContact CG-CB 4.19Å; E31-A65 WeakPolarHBondContact OE1-CA 3.04Å; E31-S66 WeakPolarHBondContact OE1-CB 3.27Å; E31-S66 PolarHBondContact OE1-N 2.79Å; E31-S66 PolarHBondContact OE1-OG 3.46Å; E31-V67 HydrophobicContact CG-CG2 3.96Å
32K82.7Confident93.5Very high98 Ų9828.9 Ų28.943%0.42614%0.142SC..Hα-helixtrans-55.7-45.6178.2-171.6-156.8178.4-141.30111T28 V29 N34 E259 D431T28-K32 WeakPolarHBondContact O-CB 3.33Å; T28-K32 PolarHBondContact O-N 2.93Å; V29-K32 PolarHBondContact O-N 3Å; K32-N34 VanDerWaalsContact C-N 3.3Å; K32-N34 PolarHBondContact O-N 3.48Å; K32-E259 IonicContact NZ-OE1 3.15Å; K32-E259 PolarHBondContact NZ-OE1 3.3Å; K32-D431 WeakPolarHBondContact CD-OD2 3.44Å; K32-D431 WeakPolarHBondContact CE-OD2 3.23Å; K32-D431 WeakPolarHBondContact CG-OD2 3.22Å; K32-D431 VanDerWaalsContact NZ-CG 3.27Å; K32-D431 IonicContact NZ-OD1 2.68Å; K32-D431 PolarHBondContact NZ-OD1 3.39Å; K32-D431 IonicContact NZ-OD2 3.67Å; K32-D431 PolarHBondContact NZ-OD2 2.87Å
33L78.4Confident93.3Very high26 Ų2629.2 Ų29.214%0.13614%0.143CC..THydrogen-bonded Turntrans-82-4.1178.8-62.5176.4000114.1V29 E31 K35 E259 Y262 D431V29-L33 HydrophobicContact CG1-CD1 3.71Å; V29-L33 HydrophobicContact CG1-CG 4.29Å; V29-L33 WeakPolarHBondContact O-CB 3.29Å; V29-L33 VanDerWaalsContact O-CG 3.32Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 3.26Å; E31-L33 VanDerWaalsContact C-N 3.29Å; E31-L33 PolarHBondContact O-N 3.08Å; L33-K35 HydrophobicContact CB-CB 4.42Å; L33-K35 HydrophobicContact CB-CG 3.99Å; L33-K35 WeakPolarHBondContact O-CG 3.5Å; L33-K35 PolarHBondContact O-N 3.08Å; L33-E259 HydrophobicContact CD1-CG 4.21Å; L33-Y262 HydrophobicContact CD1-CD2 3.23Å; L33-Y262 HydrophobicContact CD1-CE2 3.88Å; L33-Y262 HydrophobicContact CD1-CG 3.82Å; L33-D431 HydrophobicContact CD2-CB 3.46Å; L33-D431 VanDerWaalsContact CD2-CB 3.46Å; L33-D431 WeakPolarHBondContact CD2-OD1 3.47Å; L33-D431 WeakPolarHBondContact CD2-OD2 3.48Å
34N79.2Confident93Very high93 Ų9333.2 Ų33.250%0.49718%0.176SC..THydrogen-bonded Turntrans52.638.8-173.1-17043.3000113.1A30 E31 K32A30-N34 PolarHBondContact O-N 2.83Å; E31-N34 PolarHBondContact O-N 3.36Å; K32-N34 VanDerWaalsContact C-N 3.3Å; K32-N34 PolarHBondContact O-N 3.48Å
35K88.2Confident92.7Very high75 Ų7529 Ų2933%0.32616%0.161SC..  trans-118.3150.2-177.1-61.7-54.8177.3-177.50111.9A30 L33 V67 Y262 E377A30-K35 PolarHBondContact O-N 2.92Å; L33-K35 HydrophobicContact CB-CB 4.42Å; L33-K35 HydrophobicContact CB-CG 3.99Å; L33-K35 WeakPolarHBondContact O-CG 3.5Å; L33-K35 PolarHBondContact O-N 3.08Å; K35-V67 WeakPolarHBondContact O-CG2 3.3Å; K35-Y262 HydrophobicContact CB-CD1 3.86Å; K35-Y262 HydrophobicContact CB-CE1 3.44Å; K35-Y262 VanDerWaalsContact CB-CE1 3.44Å; K35-Y262 HydrophobicContact CG-CD1 3.86Å; K35-Y262 HydrophobicContact CG-CE1 4Å; K35-Y262 HydrophobicContact CG-CG 4.4Å; K35-E377 IonicContact NZ-OE1 2.82Å; K35-E377 PolarHBondContact NZ-OE1 3.03Å
36P93.4Very high92.3Very high26 Ų2633.1 Ų33.117%0.16918%0.177CC..  trans-71149.2176.830.5-35.7000111.9M1 V12 P68 Y262M1-P36 HydrophobicContact CE-CB 3.91Å; M1-P36 HydrophobicContact CG-CB 4.41Å; M1-P36 HydrophobicContact SD-CB 4.36Å; V12-P36 HydrophobicContact CG1-CB 4.39Å; V12-P36 HydrophobicContact CG2-CB 4.46Å; V12-P36 HydrophobicContact CG2-CG 4.07Å; P36-P68 WeakPolarHBondContact CA-O 3.42Å; P36-P68 HydrophobicContact CB-CB 4.28Å; P36-Y262 PolarHBondContact O-OH 3.08Å
37L97.9Very high91.9Very high0 Ų040 Ų400%021%0.214CC..EExtended strand (participates in β ladder)trans-137.7140.6177.4173.475.5000110.6P13 T15 F26 V27 A30 P68 I69 V70 L258P13-L37 HydrophobicContact CG-CD1 4.14Å; P13-L37 WeakPolarHBondContact O-CD1 3.14Å; T15-L37 HydrophobicContact CG2-CD1 4.02Å; F26-L37 HydrophobicContact CB-CD2 3.65Å; F26-L37 WeakPolarHBondContact O-CD2 3.37Å; V27-L37 HydrophobicContact CG2-CD2 4.24Å; A30-L37 HydrophobicContact CB-CB 3.66Å; A30-L37 HydrophobicContact CB-CD2 4.06Å; A30-L37 HydrophobicContact CB-CG 4.42Å; L37-P68 PolarHBondContact N-O 3.34Å; L37-P68 VanDerWaalsContact N-O 3.08Å; L37-I69 HydrophobicContact CB-CD1 3.7Å; L37-I69 HydrophobicContact CD2-CD1 4.2Å; L37-I69 HydrophobicContact CG-CD1 4.46Å; L37-I69 WeakPolarHBondContact O-CA 3.28Å; L37-V70 PolarHBondContact O-N 3.33Å; L37-L258 HydrophobicContact CD1-CD1 4.41Å; L37-L258 HydrophobicContact CD1-CD2 4.23Å
38M98.4Very high91.7Very high4 Ų445.3 Ų45.32%0.0224%0.242CC..EExtended strand (participates in β ladder)trans-95132.6160.4-66.5-170.66800108.6M1 L2 V12 P13 A14 T15 P40 V70 H72 K220M1-M38 HydrophobicContact SD-CG 3.9Å; L2-M38 HydrophobicContact CD1-SD 4.17Å; L2-M38 HydrophobicContact CD2-SD 3.87Å; L2-M38 HydrophobicContact CG-SD 4.28Å; V12-M38 HydrophobicContact CG1-CG 4Å; P13-M38 PolarHBondContact O-N 3.29Å; A14-M38 WeakPolarHBondContact CA-O 3.23Å; A14-M38 HydrophobicContact CB-CB 3.86Å; T15-M38 PolarHBondContact N-O 3.21Å; M38-P40 VanDerWaalsContact O-CD 3.31Å; M38-P40 WeakPolarHBondContact O-CD 3.36Å; M38-V70 HydrophobicContact CE-CG1 4.05Å; M38-V70 HydrophobicContact CG-CB 4.25Å; M38-H72 HydrophobicContact CE-CB 3.81Å; M38-K220 HydrophobicContact CE-CD 3.96Å; M38-K220 HydrophobicContact SD-CB 4.48Å; M38-K220 HydrophobicContact SD-CD 3.51Å; M38-K220 VanDerWaalsContact SD-CD 3.51Å; M38-K220 HydrophobicContact SD-CG 3.85Å
39L98.3Very high91.7Very high0 Ų042.6 Ų42.60%023%0.225CC..EExtended strand (participates in β ladder)trans-115.385.6-176.9-177.767.7000108.5F17 A23 F26 V27 L61 I69 V70 L71 H72F17-L39 HydrophobicContact CB-CD1 4.11Å; F17-L39 HydrophobicContact CD1-CD1 3.65Å; F17-L39 HydrophobicContact CD1-CD2 4.34Å; F17-L39 HydrophobicContact CD1-CG 3.58Å; F17-L39 HydrophobicContact CE1-CD1 4.44Å; F17-L39 HydrophobicContact CE1-CD2 4.38Å; F17-L39 HydrophobicContact CE1-CG 3.88Å; F17-L39 HydrophobicContact CG-CD1 4.17Å; F17-L39 HydrophobicContact CG-CG 4.46Å; A23-L39 HydrophobicContact CB-CD1 4.11Å; A23-L39 HydrophobicContact CB-CD2 4.26Å; F26-L39 HydrophobicContact CB-CD1 4.45Å; F26-L39 HydrophobicContact CD2-CD1 4.12Å; V27-L39 HydrophobicContact CG2-CD2 3.98Å; L39-L61 HydrophobicContact CD2-CD1 4.47Å; L39-I69 HydrophobicContact CB-CG2 4.07Å; L39-I69 HydrophobicContact CD2-CG2 4.46Å; L39-V70 PolarHBondContact N-O 3.11Å; L39-L71 WeakPolarHBondContact O-CD1 3.45Å; L39-H72 PolarHBondContact O-N 2.79Å
40P98.1Very high92Very high0 Ų044.2 Ų44.20%024%0.236CC..EExtended strand (participates in β ladder)trans-88.4149.8-172.9-5.726.3000113.2A14 T15 N16 F17 M38 H72 D74A14-P40 HydrophobicContact CB-CG 3.79Å; T15-P40 VanDerWaalsContact C-CD 3.44Å; T15-P40 VanDerWaalsContact O-CD 3.29Å; T15-P40 WeakPolarHBondContact O-CD 3.28Å; N16-P40 VanDerWaalsContact CA-O 3.3Å; N16-P40 WeakPolarHBondContact CA-O 3.16Å; N16-P40 WeakPolarHBondContact OD1-CB 3.4Å; N16-P40 VanDerWaalsContact OD1-CG 3.28Å; N16-P40 WeakPolarHBondContact OD1-CG 3.49Å; F17-P40 WeakPolarHBondContact CD1-O 3.42Å; F17-P40 WeakPolarHBondContact CE1-O 3.42Å; F17-P40 PolarHBondContact N-O 2.84Å; M38-P40 VanDerWaalsContact O-CD 3.31Å; M38-P40 WeakPolarHBondContact O-CD 3.36Å; P40-H72 CarbonylContact C-O 3.59Å; P40-H72 WeakPolarHBondContact CA-O 3.34Å; P40-H72 HydrophobicContact CB-CB 4.04Å; P40-H72 HydrophobicContact CG-CB 4.4Å; P40-D74 HydrophobicContact CB-CB 3.84Å
41F97.9Very high92.2Very high0 Ų044.4 Ų44.40%024%0.237CC..EExtended strand (participates in β ladder)trans-113.5120.6165168.1-105.2000108.3F17 H45 K46 I49 L51 A54 H72 L73 D74 F81 F90F17-F41 HydrophobicContact CE1-CB 3.84Å; F17-F41 HydrophobicContact CZ-CB 3.88Å; F41-H45 HydrophobicContact CD2-CB 4.43Å; F41-H45 HydrophobicContact CE2-CB 3.94Å; F41-K46 HydrophobicContact CZ-CB 4.37Å; F41-I49 HydrophobicContact CD2-CD1 4.16Å; F41-I49 HydrophobicContact CD2-CG1 4.13Å; F41-I49 HydrophobicContact CE2-CD1 4.18Å; F41-I49 HydrophobicContact CE2-CG1 3.65Å; F41-I49 WeakPolarHBondContact CZ-O 3.41Å; F41-L51 HydrophobicContact CD1-CD1 3.93Å; F41-L51 HydrophobicContact CE1-CB 4.42Å; F41-L51 HydrophobicContact CE1-CD1 3.85Å; F41-A54 HydrophobicContact CB-CB 3.95Å; F41-A54 HydrophobicContact CD1-CB 3.87Å; F41-A54 HydrophobicContact CD2-CB 3.56Å; F41-A54 HydrophobicContact CE1-CB 4.23Å; F41-A54 HydrophobicContact CE2-CB 3.96Å; F41-A54 HydrophobicContact CG-CB 3.5Å; F41-A54 VanDerWaalsContact CG-CB 3.5Å; F41-A54 HydrophobicContact CZ-CB 4.25Å; F41-H72 PolarHBondContact N-O 3.13Å; F41-L73 HydrophobicContact CD1-CD1 4.09Å; F41-D74 PolarHBondContact O-N 3.08Å; F41-F81 HydrophobicContact CE1-CE1 4.46Å; F41-F81 HydrophobicContact CE1-CZ 4.2Å; F41-F90 HydrophobicContact CB-CE1 4.16Å; F41-F90 HydrophobicContact CB-CZ 4.17Å; F41-F90 HydrophobicContact CD1-CZ 4.24Å
42A94.9Very high92.7Very high5 Ų545.1 Ų45.14%0.04124%0.24CC..EExtended strand (participates in β ladder)trans-82.1136.3177.200000111A44 H45 D74A42-A44 PolarHBondContact O-N 3.12Å; A42-A44 VanDerWaalsContact O-N 3.12Å; A42-H45 WeakPolarHBondContact O-CB 3.23Å; A42-H45 PolarHBondContact O-N 3.2Å; A42-D74 VanDerWaalsContact CA-O 3.32Å; A42-D74 WeakPolarHBondContact CA-O 3.34Å; A42-D74 HydrophobicContact CB-CB 4.15Å
43Q94Very high93.5Very high9 Ų945.2 Ų45.24%0.04224%0.242CC..G310 helixtrans-56.1-30.5174.6-178.7166.9-1000112.1H45 K46 D74 H75 G76 D78 F81Q43-H45 PolarHBondContact O-N 3.43Å; Q43-K46 WeakPolarHBondContact O-CB 3.36Å; Q43-K46 VanDerWaalsContact O-CG 3.32Å; Q43-K46 WeakPolarHBondContact O-CG 3.16Å; Q43-K46 PolarHBondContact O-N 2.89Å; Q43-D74 PolarHBondContact N-O 2.94Å; Q43-D74 VanDerWaalsContact N-O 3.07Å; Q43-H75 WeakPolarHBondContact CB-O 3.33Å; Q43-G76 VanDerWaalsContact OE1-CA 3.28Å; Q43-D78 PolarHBondContact NE2-OD2 2.94Å; Q43-F81 HydrophobicContact CB-CD1 4.29Å; Q43-F81 HydrophobicContact CB-CE1 3.86Å; Q43-F81 HydrophobicContact CB-CZ 4.42Å; Q43-F81 VanDerWaalsContact CD-CD1 3.47Å; Q43-F81 HydrophobicContact CG-CD1 3.85Å; Q43-F81 HydrophobicContact CG-CE1 3.63Å; Q43-F81 HydrophobicContact CG-CE2 4.38Å; Q43-F81 HydrophobicContact CG-CG 4.32Å; Q43-F81 HydrophobicContact CG-CZ 3.91Å
44A90.8Very high94.4Very high84 Ų8444 Ų4469%0.69424%0.236SC*.G310 helixtrans-61.1-18.8173.600000114.2A42A42-A44 PolarHBondContact O-N 3.12Å; A42-A44 VanDerWaalsContact O-N 3.12Å
45H91.8Very high95.3Very high25 Ų2539.6 Ų39.612%0.11621%0.213CC..G310 helixtrans-94.67.1179.3-57.5165.3000113.4I18 F41 A42 Q43 D47 L48 I49 F224I18-H45 WeakPolarHBondContact CG2-ND1 3.25Å; F41-H45 HydrophobicContact CD2-CB 4.43Å; F41-H45 HydrophobicContact CE2-CB 3.94Å; A42-H45 WeakPolarHBondContact O-CB 3.23Å; A42-H45 PolarHBondContact O-N 3.2Å; Q43-H45 PolarHBondContact O-N 3.43Å; H45-D47 PolarHBondContact O-N 3.12Å; H45-D47 VanDerWaalsContact O-N 3.09Å; H45-L48 HydrophobicContact CB-CD1 4.37Å; H45-L48 WeakPolarHBondContact O-CB 3.31Å; H45-L48 PolarHBondContact O-N 2.87Å; H45-I49 PolarHBondContact O-N 2.9Å; H45-F224 AromaticContact CE1-CE1 3.72Å; H45-F224 AromaticContact CE1-CE2 3.67Å; H45-F224 AromaticContact CE1-CZ 3.29Å; H45-F224 WeakPolarHBondContact CE1-CZ 3.49Å; H45-F224 AromaticContact NE2-CE1 3.58Å; H45-F224 AromaticContact NE2-CZ 3.49Å; H45-F224 WeakPolarHBondContact NE2-CZ 3.3Å
46K90.8Very high95.8Very high102 Ų10241.9 Ų41.944%0.44323%0.228SC..THydrogen-bonded Turntrans-57.9-23-177.871-173.9-178.3-172.60115.6F41 Q43 I49F41-K46 HydrophobicContact CZ-CB 4.37Å; Q43-K46 WeakPolarHBondContact O-CB 3.36Å; Q43-K46 VanDerWaalsContact O-CG 3.32Å; Q43-K46 WeakPolarHBondContact O-CG 3.16Å; Q43-K46 PolarHBondContact O-N 2.89Å; K46-I49 CarbonylContact C-O 3.51Å; K46-I49 WeakPolarHBondContact CA-O 3.27Å; K46-I49 CarbonylContact O-C 3.42Å
47D90.8Very high96.1Very high146 Ų14642 Ų4278%0.78123%0.227SC*.THydrogen-bonded Turntrans-86.6-11.5177.7-60.8-39.8000112.5H45H45-D47 PolarHBondContact O-N 3.12Å; H45-D47 VanDerWaalsContact O-N 3.09Å
48L92.8Very high96.1Very high115 Ų11542 Ų4260%0.60223%0.227SC*.THydrogen-bonded Turntrans-88.5-49.3172.7-59.5178.5000111.1I18 H45I18-L48 HydrophobicContact CB-CD1 4Å; I18-L48 HydrophobicContact CG2-CD1 3.87Å; H45-L48 HydrophobicContact CB-CD1 4.37Å; H45-L48 WeakPolarHBondContact O-CB 3.31Å; H45-L48 PolarHBondContact O-N 2.87Å
49I95.1Very high96Very high19 Ų1945.6 Ų45.610%0.09724%0.242CC..SBendtrans-139.4141.1171.259.6176.4000108.9F17 F41 H45 K46 E53 A54F17-I49 HydrophobicContact CD2-CD1 3.95Å; F17-I49 HydrophobicContact CE2-CD1 3.6Å; F41-I49 HydrophobicContact CD2-CD1 4.16Å; F41-I49 HydrophobicContact CD2-CG1 4.13Å; F41-I49 HydrophobicContact CE2-CD1 4.18Å; F41-I49 HydrophobicContact CE2-CG1 3.65Å; F41-I49 WeakPolarHBondContact CZ-O 3.41Å; H45-I49 PolarHBondContact O-N 2.9Å; K46-I49 CarbonylContact C-O 3.51Å; K46-I49 WeakPolarHBondContact CA-O 3.27Å; K46-I49 CarbonylContact O-C 3.42Å; I49-E53 HydrophobicContact CB-CB 4.29Å; I49-A54 HydrophobicContact CD1-CB 4.02Å; I49-A54 HydrophobicContact CG1-CB 4.45Å
50S97.1Very high96Very high38 Ų3852.3 Ų52.327%0.26627%0.269SS..  trans-66.6160.3176.660.90000111.9E52 E53 A54S50-E52 PolarHBondContact O-N 2.63Å; S50-E53 WeakPolarHBondContact CB-OE2 3.3Å; S50-E53 PolarHBondContact N-OE2 3.21Å; S50-E53 PolarHBondContact O-N 3.29Å; S50-E53 VanDerWaalsContact O-N 3.16Å; S50-E53 WeakPolarHBondContact OG-CB 3.26Å; S50-E53 VanDerWaalsContact OG-CD 3.24Å; S50-E53 WeakPolarHBondContact OG-CG 3.4Å; S50-E53 PolarHBondContact OG-N 2.96Å; S50-E53 PolarHBondContact OG-OE2 2.73Å; S50-A54 WeakPolarHBondContact O-CB 3.18Å; S50-A54 PolarHBondContact O-N 3.19Å
51L97.7Very high96.1Very high4 Ų453.1 Ų53.12%0.02127%0.273CS..Hα-helixtrans-59.2-36.7175.6-178.862.2000111.7F41 A55 L73 F81 Q84 A85 L88 F90F41-L51 HydrophobicContact CD1-CD1 3.93Å; F41-L51 HydrophobicContact CE1-CB 4.42Å; F41-L51 HydrophobicContact CE1-CD1 3.85Å; L51-A55 WeakPolarHBondContact O-CB 3.31Å; L51-A55 PolarHBondContact O-N 3.16Å; L51-L73 HydrophobicContact CD1-CD1 4.36Å; L51-F81 HydrophobicContact CB-CE2 4.19Å; L51-F81 HydrophobicContact CB-CZ 3.87Å; L51-F81 HydrophobicContact CD1-CE1 3.95Å; L51-F81 HydrophobicContact CD1-CZ 4.03Å; L51-F81 HydrophobicContact CD2-CD1 4.25Å; L51-F81 HydrophobicContact CD2-CD2 4.28Å; L51-F81 HydrophobicContact CD2-CE1 3.96Å; L51-F81 HydrophobicContact CD2-CE2 4Å; L51-F81 HydrophobicContact CD2-CG 4.41Å; L51-F81 HydrophobicContact CD2-CZ 3.84Å; L51-F81 HydrophobicContact CG-CE1 4.39Å; L51-F81 HydrophobicContact CG-CZ 4.12Å; L51-Q84 HydrophobicContact CD2-CB 3.96Å; L51-Q84 HydrophobicContact CD2-CG 3.82Å; L51-A85 HydrophobicContact CD1-CB 3.89Å; L51-A85 HydrophobicContact CD2-CB 4.09Å; L51-A85 HydrophobicContact CG-CB 4.47Å; L51-L88 HydrophobicContact CB-CD1 4.45Å; L51-L88 HydrophobicContact CD2-CD1 3.97Å; L51-L88 HydrophobicContact CG-CD1 3.72Å; L51-F90 HydrophobicContact CD1-CE2 3.63Å; L51-F90 HydrophobicContact CD1-CZ 3.77Å
52E98.4Very high96Very high79 Ų7954.1 Ų54.137%0.36928%0.281SS..Hα-helixtrans-63.6-45.5174.5-70.975.5-171.400112.2S50 A55 L56 Q84 L88S50-E52 PolarHBondContact O-N 2.63Å; E52-A55 PolarHBondContact O-N 3.04Å; E52-L56 WeakPolarHBondContact O-CB 3.48Å; E52-L56 VanDerWaalsContact O-CG 3.28Å; E52-L56 WeakPolarHBondContact O-CG 3.04Å; E52-L56 PolarHBondContact O-N 2.68Å; E52-Q84 PolarHBondContact OE1-NE2 3.01Å; E52-L88 HydrophobicContact CG-CD1 4.14Å; E52-L88 HydrophobicContact CG-CD2 4.12Å
53E98.5Very high96.1Very high99 Ų9960.5 Ų60.546%0.46331%0.314SS..Hα-helixtrans-63.9-44.9176.6-74.2164.2139.300111I49 S50 A55 L56 I57I49-E53 HydrophobicContact CB-CB 4.29Å; S50-E53 WeakPolarHBondContact CB-OE2 3.3Å; S50-E53 PolarHBondContact N-OE2 3.21Å; S50-E53 PolarHBondContact O-N 3.29Å; S50-E53 VanDerWaalsContact O-N 3.16Å; S50-E53 WeakPolarHBondContact OG-CB 3.26Å; S50-E53 VanDerWaalsContact OG-CD 3.24Å; S50-E53 WeakPolarHBondContact OG-CG 3.4Å; S50-E53 PolarHBondContact OG-N 2.96Å; S50-E53 PolarHBondContact OG-OE2 2.73Å; E53-A55 VanDerWaalsContact C-N 3.33Å; E53-A55 PolarHBondContact O-N 3.05Å; E53-L56 PolarHBondContact O-N 3.32Å; E53-I57 VanDerWaalsContact O-CG1 3.32Å; E53-I57 WeakPolarHBondContact O-CG1 3.49Å; E53-I57 PolarHBondContact O-N 2.81Å
54A98.5Very high96.2Very high0 Ų067 Ų670%034%0.343CS..Hα-helixtrans-58.8-44.317500000111.8F17 F41 I49 S50 L56 I57 G58 F90F17-A54 HydrophobicContact CE2-CB 4.09Å; F17-A54 HydrophobicContact CZ-CB 3.87Å; F41-A54 HydrophobicContact CB-CB 3.95Å; F41-A54 HydrophobicContact CD1-CB 3.87Å; F41-A54 HydrophobicContact CD2-CB 3.56Å; F41-A54 HydrophobicContact CE1-CB 4.23Å; F41-A54 HydrophobicContact CE2-CB 3.96Å; F41-A54 HydrophobicContact CG-CB 3.5Å; F41-A54 VanDerWaalsContact CG-CB 3.5Å; F41-A54 HydrophobicContact CZ-CB 4.25Å; I49-A54 HydrophobicContact CD1-CB 4.02Å; I49-A54 HydrophobicContact CG1-CB 4.45Å; S50-A54 WeakPolarHBondContact O-CB 3.18Å; S50-A54 PolarHBondContact O-N 3.19Å; A54-L56 PolarHBondContact O-N 3.05Å; A54-I57 PolarHBondContact O-N 3.39Å; A54-G58 PolarHBondContact O-N 2.71Å; A54-F90 HydrophobicContact CB-CZ 4.41Å
55A98.6Very high96.4Very high2 Ų263.9 Ų63.92%0.01732%0.317CS..Hα-helixtrans-61.2-44.5175.900000112.1L51 E52 E53 K59 L88 F90L51-A55 WeakPolarHBondContact O-CB 3.31Å; L51-A55 PolarHBondContact O-N 3.16Å; E52-A55 PolarHBondContact O-N 3.04Å; E53-A55 VanDerWaalsContact C-N 3.33Å; E53-A55 PolarHBondContact O-N 3.05Å; A55-K59 WeakPolarHBondContact O-CB 3.13Å; A55-K59 WeakPolarHBondContact O-CD 3.44Å; A55-K59 VanDerWaalsContact O-CG 3.27Å; A55-K59 WeakPolarHBondContact O-CG 3.49Å; A55-K59 PolarHBondContact O-N 3.14Å; A55-L88 HydrophobicContact CB-CB 3.74Å; A55-L88 HydrophobicContact CB-CD1 4.39Å; A55-F90 HydrophobicContact CB-CD2 4.29Å; A55-F90 HydrophobicContact CB-CE2 3.79Å
56L98.5Very high96.2Very high122 Ų12267.1 Ų67.164%0.63934%0.342SS*.Hα-helixtrans-63.4-48.9179.3-74.2170000111.6E52 E53 A54 Y60E52-L56 WeakPolarHBondContact O-CB 3.48Å; E52-L56 VanDerWaalsContact O-CG 3.28Å; E52-L56 WeakPolarHBondContact O-CG 3.04Å; E52-L56 PolarHBondContact O-N 2.68Å; E53-L56 PolarHBondContact O-N 3.32Å; A54-L56 PolarHBondContact O-N 3.05Å; L56-Y60 VanDerWaalsContact O-CB 3.25Å; L56-Y60 WeakPolarHBondContact O-CB 3.4Å; L56-Y60 PolarHBondContact O-N 3.4Å; L56-Y60 VanDerWaalsContact O-N 3.09Å
57I98.4Very high96.2Very high29 Ų2962.7 Ų62.715%0.14932%0.324CS..Hα-helixtrans-61.6-54.7178.7-68.6165.7000110.2F17 L20 A23 E53 A54 K59 Y60 L61F17-I57 HydrophobicContact CE2-CB 4.48Å; F17-I57 HydrophobicContact CE2-CG2 4.24Å; L20-I57 HydrophobicContact CB-CD1 4.18Å; L20-I57 HydrophobicContact CB-CG1 4.5Å; L20-I57 HydrophobicContact CD1-CG1 4.38Å; L20-I57 HydrophobicContact CD1-CG2 3.87Å; A23-I57 HydrophobicContact CB-CG2 3.76Å; E53-I57 VanDerWaalsContact O-CG1 3.32Å; E53-I57 WeakPolarHBondContact O-CG1 3.49Å; E53-I57 PolarHBondContact O-N 2.81Å; A54-I57 PolarHBondContact O-N 3.39Å; I57-K59 PolarHBondContact O-N 3.5Å; I57-Y60 PolarHBondContact O-N 3.19Å; I57-L61 HydrophobicContact CG2-CD1 3.92Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 2.87Å
58G98Very high96.4Very high0 Ų059.7 Ų59.70%031%0.312CS..Hα-helixtrans-61.3-45.6-175.100000112.6A54 L61 A62A54-G58 PolarHBondContact O-N 2.71Å; G58-L61 PolarHBondContact O-N 2.82Å; G58-A62 WeakPolarHBondContact O-CB 3.35Å; G58-A62 PolarHBondContact O-N 2.97Å
59K97.9Very high96.6Very high80 Ų8055 Ų5535%0.34829%0.288SS..Hα-helixtrans-65.7-41.2177.6-77165.947.9-179.30112.5A55 I57 N63 L71 L88A55-K59 WeakPolarHBondContact O-CB 3.13Å; A55-K59 WeakPolarHBondContact O-CD 3.44Å; A55-K59 VanDerWaalsContact O-CG 3.27Å; A55-K59 WeakPolarHBondContact O-CG 3.49Å; A55-K59 PolarHBondContact O-N 3.14Å; I57-K59 PolarHBondContact O-N 3.5Å; K59-N63 VanDerWaalsContact O-CB 3.29Å; K59-N63 WeakPolarHBondContact O-CB 3.3Å; K59-N63 VanDerWaalsContact O-CG 3.23Å; K59-N63 PolarHBondContact O-N 3.44Å; K59-N63 PolarHBondContact O-ND2 2.59Å; K59-L71 HydrophobicContact CG-CD2 3.95Å; K59-L88 VanDerWaalsContact CD-O 3.26Å; K59-L88 WeakPolarHBondContact CD-O 3.38Å; K59-L88 PolarHBondContact NZ-O 3.33Å
60Y98.4Very high96.7Very high141 Ų14155.4 Ų55.455%0.55329%0.291SS*.Hα-helixtrans-60.1-49.1178.9173.2-97.9000110.7L56 I57 K64L56-Y60 VanDerWaalsContact O-CB 3.25Å; L56-Y60 WeakPolarHBondContact O-CB 3.4Å; L56-Y60 PolarHBondContact O-N 3.4Å; L56-Y60 VanDerWaalsContact O-N 3.09Å; I57-Y60 PolarHBondContact O-N 3.19Å; Y60-K64 HydrophobicContact CE1-CD 4.4Å; Y60-K64 WeakPolarHBondContact O-CB 3.16Å; Y60-K64 PolarHBondContact O-N 2.99Å
61L98.4Very high96.8Very high16 Ų1653.8 Ų53.88%0.08428%0.279CS..Hα-helixtrans-68.1-45.9-179.5-65.8172.8000111.7L20 A23 R24 V27 L39 I57 G58 N63 K64 A65L20-L61 HydrophobicContact CD1-CD1 4.42Å; A23-L61 HydrophobicContact CB-CD1 3.61Å; R24-L61 HydrophobicContact CB-CD1 4.34Å; R24-L61 HydrophobicContact CB-CD2 4.32Å; V27-L61 HydrophobicContact CG1-CB 4.49Å; V27-L61 HydrophobicContact CG2-CB 4.09Å; V27-L61 HydrophobicContact CG2-CD1 4.45Å; L39-L61 HydrophobicContact CD2-CD1 4.47Å; I57-L61 HydrophobicContact CG2-CD1 3.92Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 2.87Å; G58-L61 PolarHBondContact O-N 2.82Å; L61-N63 VanDerWaalsContact C-N 3.34Å; L61-N63 PolarHBondContact O-N 2.81Å; L61-K64 PolarHBondContact O-N 2.52Å; L61-K64 VanDerWaalsContact O-N 3.17Å; L61-A65 WeakPolarHBondContact O-CB 3.25Å; L61-A65 PolarHBondContact O-N 3.1Å
62A97.4Very high96.9Very high22 Ų2253.6 Ų53.618%0.18228%0.278CS..Hα-helixtrans-62.8-37.8-178.700000113.2G58 K64 I69G58-A62 WeakPolarHBondContact O-CB 3.35Å; G58-A62 PolarHBondContact O-N 2.97Å; A62-K64 VanDerWaalsContact C-N 3.33Å; A62-I69 HydrophobicContact CB-CB 3.94Å; A62-I69 HydrophobicContact CB-CG2 3.85Å
63N96.3Very high96.9Very high138 Ų13849.9 Ų49.974%0.73826%0.261SS*.Hα-helixtrans-73.4-25177.5-73.5-33000113.6K59 L61K59-N63 VanDerWaalsContact O-CB 3.29Å; K59-N63 WeakPolarHBondContact O-CB 3.3Å; K59-N63 VanDerWaalsContact O-CG 3.23Å; K59-N63 PolarHBondContact O-N 3.44Å; K59-N63 PolarHBondContact O-ND2 2.59Å; L61-N63 VanDerWaalsContact C-N 3.34Å; L61-N63 PolarHBondContact O-N 2.81Å
64K95.6Very high96.8Very high146 Ų14645.3 Ų45.364%0.63524%0.24SC*.Hα-helixtrans-86.7-27.6179.9-171.3-179.9177.8-172.30112.2Y60 L61 A62Y60-K64 HydrophobicContact CE1-CD 4.4Å; Y60-K64 WeakPolarHBondContact O-CB 3.16Å; Y60-K64 PolarHBondContact O-N 2.99Å; L61-K64 PolarHBondContact O-N 2.52Å; L61-K64 VanDerWaalsContact O-N 3.17Å; A62-K64 VanDerWaalsContact C-N 3.33Å
65A94.9Very high96.5Very high18 Ų1846.8 Ų46.815%0.14925%0.246CC..  trans-61.2140.1-175.100000112.3V27 E31 L61 V67 I69V27-A65 HydrophobicContact CG1-CB 3.9Å; E31-A65 HydrophobicContact CG-CB 4.19Å; E31-A65 WeakPolarHBondContact OE1-CA 3.04Å; L61-A65 WeakPolarHBondContact O-CB 3.25Å; L61-A65 PolarHBondContact O-N 3.1Å; A65-V67 VanDerWaalsContact C-N 3.3Å; A65-I69 HydrophobicContact CB-CB 4.37Å; A65-I69 HydrophobicContact CB-CD1 4.38Å; A65-I69 HydrophobicContact CB-CG1 3.36Å
66S88.8Confident96.2Very high93 Ų9346.7 Ų46.765%0.6525%0.246SC*.SBendtrans-79.3-13.6174.552.60000113.5E31E31-S66 WeakPolarHBondContact OE1-CB 3.27Å; E31-S66 PolarHBondContact OE1-N 2.79Å; E31-S66 PolarHBondContact OE1-OG 3.46Å
67V90.6Very high95.8Very high9 Ų947.5 Ų47.56%0.05525%0.246CC..SBendtrans-113.5161.8176.9-59.60000111.2A30 E31 K35 A65 I69A30-V67 HydrophobicContact CB-CG2 4.09Å; E31-V67 HydrophobicContact CG-CG2 3.96Å; K35-V67 WeakPolarHBondContact O-CG2 3.3Å; A65-V67 VanDerWaalsContact C-N 3.3Å; V67-I69 HydrophobicContact CG2-CD1 3.7Å; V67-I69 HydrophobicContact CG2-CG1 4.23Å; V67-I69 PolarHBondContact O-N 3.48Å; V67-I69 VanDerWaalsContact O-N 3.07Å
68P93.8Very high95.5Very high83 Ų8349.3 Ų49.354%0.53926%0.256SS..  trans-64110.6176.2-22.535.2000112.3M1 P36 L37M1-P68 HydrophobicContact CE-CB 3.65Å; M1-P68 WeakPolarHBondContact CE-O 3.25Å; P36-P68 WeakPolarHBondContact CA-O 3.42Å; P36-P68 HydrophobicContact CB-CB 4.28Å; L37-P68 PolarHBondContact N-O 3.34Å; L37-P68 VanDerWaalsContact N-O 3.08Å
69I97.7Very high95.4Very high17 Ų1751.4 Ų51.49%0.08727%0.265CS..EExtended strand (participates in β ladder)trans-113.5129.9172-53.1-60.7000109.2V27 A30 L37 L39 A62 A65 V67V27-I69 HydrophobicContact CG1-CD1 4.28Å; V27-I69 HydrophobicContact CG1-CG1 4.16Å; V27-I69 HydrophobicContact CG2-CD1 4.23Å; V27-I69 HydrophobicContact CG2-CG1 4.31Å; V27-I69 HydrophobicContact CG2-CG2 4.03Å; A30-I69 HydrophobicContact CB-CD1 3.97Å; L37-I69 HydrophobicContact CB-CD1 3.7Å; L37-I69 HydrophobicContact CD2-CD1 4.2Å; L37-I69 HydrophobicContact CG-CD1 4.46Å; L37-I69 WeakPolarHBondContact O-CA 3.28Å; L39-I69 HydrophobicContact CB-CG2 4.07Å; L39-I69 HydrophobicContact CD2-CG2 4.46Å; A62-I69 HydrophobicContact CB-CB 3.94Å; A62-I69 HydrophobicContact CB-CG2 3.85Å; A65-I69 HydrophobicContact CB-CB 4.37Å; A65-I69 HydrophobicContact CB-CD1 4.38Å; A65-I69 HydrophobicContact CB-CG1 3.36Å; V67-I69 HydrophobicContact CG2-CD1 3.7Å; V67-I69 HydrophobicContact CG2-CG1 4.23Å; V67-I69 PolarHBondContact O-N 3.48Å; V67-I69 VanDerWaalsContact O-N 3.07Å
70V98.2Very high95.4Very high28 Ų2853.2 Ų53.217%0.1728%0.279CS..EExtended strand (participates in β ladder)trans-112.5122.9176.1168.70000110M1 L37 M38 L39 H72M1-V70 HydrophobicContact CE-CB 4.28Å; M1-V70 HydrophobicContact CE-CG2 3.53Å; M1-V70 HydrophobicContact SD-CB 4.47Å; M1-V70 HydrophobicContact SD-CG2 3.91Å; L37-V70 PolarHBondContact O-N 3.33Å; M38-V70 HydrophobicContact CE-CG1 4.05Å; M38-V70 HydrophobicContact CG-CB 4.25Å; L39-V70 PolarHBondContact N-O 3.11Å; V70-H72 PolarHBondContact O-N 3.39Å
71L98.6Very high95.4Very high4 Ų447.7 Ų47.72%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-78.7116.8168.6176.659000109.3F17 L39 K59 F90 T91 S92F17-L71 HydrophobicContact CE1-CD1 4.03Å; F17-L71 HydrophobicContact CZ-CD1 4.31Å; L39-L71 WeakPolarHBondContact O-CD1 3.45Å; K59-L71 HydrophobicContact CG-CD2 3.95Å; L71-F90 HydrophobicContact CD1-CD1 4.04Å; L71-F90 HydrophobicContact CD1-CE1 3.64Å; L71-F90 HydrophobicContact CD1-CZ 4.05Å; L71-F90 HydrophobicContact CD2-CD1 4.11Å; L71-F90 HydrophobicContact CD2-CD2 4Å; L71-F90 HydrophobicContact CD2-CE1 4.21Å; L71-F90 HydrophobicContact CD2-CE2 4.13Å; L71-F90 HydrophobicContact CD2-CG 4.01Å; L71-F90 HydrophobicContact CD2-CZ 4.23Å; L71-F90 HydrophobicContact CG-CD1 3.58Å; L71-F90 HydrophobicContact CG-CD2 4.38Å; L71-F90 HydrophobicContact CG-CE1 3.71Å; L71-F90 HydrophobicContact CG-CG 3.95Å; L71-F90 HydrophobicContact CG-CZ 4.2Å; L71-T91 PolarHBondContact O-N 3.23Å; L71-S92 PolarHBondContact O-N 2.82Å
72H98.8Very high95.4Very high0 Ų047 Ų470%025%0.254CS..EExtended strand (participates in β ladder)trans-118.2137.3-174.5-176.771.7000111.6M38 L39 P40 F41 V70 D74 F90 S92 E124 K220M38-H72 HydrophobicContact CE-CB 3.81Å; L39-H72 PolarHBondContact O-N 2.79Å; P40-H72 CarbonylContact C-O 3.59Å; P40-H72 WeakPolarHBondContact CA-O 3.34Å; P40-H72 HydrophobicContact CB-CB 4.04Å; P40-H72 HydrophobicContact CG-CB 4.4Å; F41-H72 PolarHBondContact N-O 3.13Å; V70-H72 PolarHBondContact O-N 3.39Å; H72-D74 IonicContact CD2-OD1 3.16Å; H72-D74 IonicContact NE2-OD1 3.89Å; H72-F90 VanDerWaalsContact C-CD1 3.45Å; H72-F90 WeakPolarHBondContact O-CE1 3.33Å; H72-S92 CarbonylContact C-O 3.54Å; H72-S92 VanDerWaalsContact CA-O 3.27Å; H72-S92 WeakPolarHBondContact CA-O 3.48Å; H72-S92 WeakPolarHBondContact ND1-CB 3.42Å; H72-S92 PolarHBondContact ND1-OG 3.45Å; H72-E124 IonicContact CE1-OE2 3.07Å; H72-E124 IonicContact NE2-OE2 2.61Å; H72-K220 PolarHBondContact NE2-NZ 3.03Å
73L98.7Very high95.4Very high0 Ų049.4 Ų49.40%026%0.26CS..EExtended strand (participates in β ladder)trans-88.3121166.4173.869.1000107.7F41 L51 F81 I82 A85 F90 S92 V93 M94F41-L73 HydrophobicContact CD1-CD1 4.09Å; L51-L73 HydrophobicContact CD1-CD1 4.36Å; L73-F81 HydrophobicContact CD1-CD1 4.25Å; L73-F81 HydrophobicContact CD1-CE1 3.75Å; L73-F81 HydrophobicContact CD2-CD1 4.18Å; L73-F81 HydrophobicContact CD2-CE1 4.49Å; L73-I82 HydrophobicContact CD2-CB 4.22Å; L73-I82 HydrophobicContact CD2-CG1 3.73Å; L73-A85 HydrophobicContact CB-CB 4.31Å; L73-A85 HydrophobicContact CD2-CB 3.75Å; L73-A85 HydrophobicContact CG-CB 4.43Å; L73-F90 HydrophobicContact CB-CD1 3.85Å; L73-F90 HydrophobicContact CB-CE1 4.03Å; L73-F90 VanDerWaalsContact N-CD1 3.34Å; L73-S92 PolarHBondContact N-O 3.17Å; L73-V93 HydrophobicContact CB-CB 4.07Å; L73-V93 HydrophobicContact CB-CG1 3.85Å; L73-V93 HydrophobicContact CD2-CB 4.44Å; L73-V93 HydrophobicContact CD2-CG1 4.35Å; L73-V93 CarbonylContact O-C 3.57Å; L73-M94 VanDerWaalsContact O-CB 3.28Å; L73-M94 WeakPolarHBondContact O-CB 3.47Å; L73-M94 PolarHBondContact O-N 2.89Å
74D97.2Very high95.5Very high3 Ų346.5 Ų46.52%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-100.7139-178.2-14945.6000110.1N16 P40 F41 A42 Q43 H72 G76 H200 K220 N222N16-D74 PolarHBondContact ND2-OD2 3.2Å; N16-D74 PolarHBondContact OD1-OD2 3.26Å; P40-D74 HydrophobicContact CB-CB 3.84Å; F41-D74 PolarHBondContact O-N 3.08Å; A42-D74 VanDerWaalsContact CA-O 3.32Å; A42-D74 WeakPolarHBondContact CA-O 3.34Å; A42-D74 HydrophobicContact CB-CB 4.15Å; Q43-D74 PolarHBondContact N-O 2.94Å; Q43-D74 VanDerWaalsContact N-O 3.07Å; H72-D74 IonicContact CD2-OD1 3.16Å; H72-D74 IonicContact NE2-OD1 3.89Å; D74-G76 PolarHBondContact O-N 2.79Å; D74-H200 IonicContact OD1-CE1 3.95Å; D74-H200 PolarHBondContact OD1-CE1 3Å; D74-K220 IonicContact OD1-NZ 3.92Å; D74-N222 VanDerWaalsContact CG-ND2 3.33Å; D74-N222 PolarHBondContact OD1-ND2 3.49Å; D74-N222 PolarHBondContact OD2-ND2 3.21Å; D74-N222 VanDerWaalsContact OD2-ND2 3.13Å
75H91.3Very high95.7Very high31 Ų3139.6 Ų39.614%0.14421%0.212CC..EExtended strand (participates in β ladder)trans46.552.2-179.2-68.1-77000114.4Q43 E77 M94 D96 E126 H172 H200Q43-H75 WeakPolarHBondContact CB-O 3.33Å; H75-E77 PolarHBondContact O-N 3Å; H75-M94 PolarHBondContact N-SD 3.41Å; H75-D96 HydrophobicContact CB-CB 4.49Å; H75-D96 IonicContact CE1-OD2 3.63Å; H75-D96 IonicContact CG-OD2 2.61Å; H75-D96 IonicContact ND1-OD2 3.08Å; H75-D96 PolarHBondContact ND1-OD2 3.1Å; H75-E126 IonicContact CE1-OE2 3.72Å; H75-H172 AromaticContact CE1-CE1 3.65Å; H75-H172 AromaticContact NE2-CE1 3.46Å; H75-H172 PolarHBondContact NE2-CE1 3.43Å; H75-H172 AromaticContact NE2-NE2 3.78Å; H75-H200 AromaticContact CE1-ND1 3.96Å; H75-H200 AromaticContact NE2-CE1 3.67Å; H75-H200 AromaticContact NE2-ND1 3.36Å; H75-H200 PolarHBondContact NE2-ND1 2.93Å
76G93.7Very high95.9Very high0 Ų039.2 Ų39.20%021%0.208CC..EExtended strand (participates in β ladder)trans-67.6123.2169.600000110.2Q43 D74 M94 I95 D96Q43-G76 VanDerWaalsContact OE1-CA 3.28Å; D74-G76 PolarHBondContact O-N 2.79Å; G76-M94 VanDerWaalsContact CA-O 3.27Å; G76-M94 WeakPolarHBondContact CA-O 3.49Å; G76-M94 PolarHBondContact N-O 3.28Å; G76-I95 CarbonylContact O-C 3.29Å; G76-I95 WeakPolarHBondContact O-CA 3.38Å; G76-I95 WeakPolarHBondContact O-CD1 3.46Å; G76-D96 PolarHBondContact O-N 3.45Å
77E89.9Confident96.3Very high139 Ų13938.8 Ų38.865%0.6520%0.198SC*.  trans-98.9-27.8-176.5-65.4-177.5163.200112.6H75H75-E77 PolarHBondContact O-N 3Å
78D91.7Very high96.7Very high67 Ų6740.7 Ų40.736%0.35821%0.208SC..SBendtrans-126.8144-17575.389000112.9Q43 D80 F81 I82Q43-D78 PolarHBondContact NE2-OD2 2.94Å; D78-D80 VanDerWaalsContact C-N 3.31Å; D78-D80 PolarHBondContact O-N 3.2Å; D78-D80 PolarHBondContact OD1-N 3.41Å; D78-F81 PolarHBondContact O-N 2.82Å; D78-F81 VanDerWaalsContact OD1-CB 3.28Å; D78-F81 WeakPolarHBondContact OD1-CB 3.43Å; D78-F81 PolarHBondContact OD1-N 2.93Å; D78-F81 VanDerWaalsContact OD2-CB 3.3Å; D78-F81 WeakPolarHBondContact OD2-CB 3.4Å; D78-I82 WeakPolarHBondContact O-CG1 3.47Å; D78-I82 PolarHBondContact O-N 2.81Å; D78-I82 VanDerWaalsContact O-N 3.13Å
79F96.2Very high96.9Very high44 Ų4438.1 Ų38.119%0.19320%0.197CC..Hα-helixtrans-62.6-35.5-174.1177.5-99.9000113K83 K111 V112 Y115F79-K83 HydrophobicContact CE1-CD 4.4Å; F79-K83 WeakPolarHBondContact O-CB 3.43Å; F79-K83 PolarHBondContact O-N 2.99Å; F79-K111 HydrophobicContact CD2-CD 3.97Å; F79-K111 HydrophobicContact CD2-CG 3.89Å; F79-K111 HydrophobicContact CE2-CD 4.25Å; F79-K111 HydrophobicContact CE2-CG 3.75Å; F79-K111 WeakPolarHBondContact CE2-O 3.21Å; F79-K111 HydrophobicContact CG-CD 4.12Å; F79-K111 HydrophobicContact CG-CG 4.5Å; F79-K111 HydrophobicContact CZ-CG 4.23Å; F79-V112 HydrophobicContact CD2-CG2 3.86Å; F79-V112 HydrophobicContact CE2-CG2 4.46Å; F79-Y115 HydrophobicContact CE2-CG 4.47Å; F79-Y115 HydrophobicContact CZ-CD2 4.19Å; F79-Y115 HydrophobicContact CZ-CG 4.16Å
80D97.6Very high96.9Very high118 Ų11837.4 Ų37.463%0.63119%0.193SC*.Hα-helixtrans-72.3-38.9-176-73.1-23.4000111.1D78 K83 Q84D78-D80 VanDerWaalsContact C-N 3.31Å; D78-D80 PolarHBondContact O-N 3.2Å; D78-D80 PolarHBondContact OD1-N 3.41Å; D80-K83 PolarHBondContact O-N 3.46Å; D80-Q84 WeakPolarHBondContact O-CB 3.23Å; D80-Q84 PolarHBondContact O-N 2.7Å
81F97.5Very high96.9Very high26 Ų2639.7 Ų39.711%0.11421%0.207CC..Hα-helixtrans-65.3-45.2173.4-165.5-90.6000112F41 Q43 L51 L73 D78 K83 Q84 A85F41-F81 HydrophobicContact CE1-CE1 4.46Å; F41-F81 HydrophobicContact CE1-CZ 4.2Å; Q43-F81 HydrophobicContact CB-CD1 4.29Å; Q43-F81 HydrophobicContact CB-CE1 3.86Å; Q43-F81 HydrophobicContact CB-CZ 4.42Å; Q43-F81 VanDerWaalsContact CD-CD1 3.47Å; Q43-F81 HydrophobicContact CG-CD1 3.85Å; Q43-F81 HydrophobicContact CG-CE1 3.63Å; Q43-F81 HydrophobicContact CG-CE2 4.38Å; Q43-F81 HydrophobicContact CG-CG 4.32Å; Q43-F81 HydrophobicContact CG-CZ 3.91Å; L51-F81 HydrophobicContact CB-CE2 4.19Å; L51-F81 HydrophobicContact CB-CZ 3.87Å; L51-F81 HydrophobicContact CD1-CE1 3.95Å; L51-F81 HydrophobicContact CD1-CZ 4.03Å; L51-F81 HydrophobicContact CD2-CD1 4.25Å; L51-F81 HydrophobicContact CD2-CD2 4.28Å; L51-F81 HydrophobicContact CD2-CE1 3.96Å; L51-F81 HydrophobicContact CD2-CE2 4Å; L51-F81 HydrophobicContact CD2-CG 4.41Å; L51-F81 HydrophobicContact CD2-CZ 3.84Å; L51-F81 HydrophobicContact CG-CE1 4.39Å; L51-F81 HydrophobicContact CG-CZ 4.12Å; L73-F81 HydrophobicContact CD1-CD1 4.25Å; L73-F81 HydrophobicContact CD1-CE1 3.75Å; L73-F81 HydrophobicContact CD2-CD1 4.18Å; L73-F81 HydrophobicContact CD2-CE1 4.49Å; D78-F81 PolarHBondContact O-N 2.82Å; D78-F81 VanDerWaalsContact OD1-CB 3.28Å; D78-F81 WeakPolarHBondContact OD1-CB 3.43Å; D78-F81 PolarHBondContact OD1-N 2.93Å; D78-F81 VanDerWaalsContact OD2-CB 3.3Å; D78-F81 WeakPolarHBondContact OD2-CB 3.4Å; F81-K83 VanDerWaalsContact C-N 3.34Å; F81-K83 PolarHBondContact O-N 3.45Å; F81-Q84 WeakPolarHBondContact O-CB 2.94Å; F81-Q84 PolarHBondContact O-N 3.19Å; F81-A85 PolarHBondContact O-N 3.31Å
82I98.5Very high96.9Very high2 Ų239.6 Ų39.61%0.0121%0.207CC..Hα-helixtrans-61.3-44.8175.5-66.1166.7000110.7L73 D78 Q84 A85 I86 V93 I95 V112L73-I82 HydrophobicContact CD2-CB 4.22Å; L73-I82 HydrophobicContact CD2-CG1 3.73Å; D78-I82 WeakPolarHBondContact O-CG1 3.47Å; D78-I82 PolarHBondContact O-N 2.81Å; D78-I82 VanDerWaalsContact O-N 3.13Å; I82-Q84 VanDerWaalsContact C-N 3.3Å; I82-Q84 PolarHBondContact O-N 2.92Å; I82-A85 WeakPolarHBondContact O-CB 3.48Å; I82-A85 PolarHBondContact O-N 3.19Å; I82-I86 HydrophobicContact CG2-CD1 4.14Å; I82-I86 WeakPolarHBondContact O-CG1 3.25Å; I82-I86 PolarHBondContact O-N 2.91Å; I82-V93 HydrophobicContact CG2-CB 3.98Å; I82-V93 HydrophobicContact CG2-CG1 4.26Å; I82-V93 HydrophobicContact CG2-CG2 3.73Å; I82-I95 HydrophobicContact CD1-CB 3.86Å; I82-I95 HydrophobicContact CD1-CD1 3.53Å; I82-I95 HydrophobicContact CD1-CG1 4.22Å; I82-V112 HydrophobicContact CD1-CG2 4.02Å; I82-V112 HydrophobicContact CG2-CG1 3.75Å
83K98.3Very high96.9Very high71 Ų7139.6 Ų39.631%0.30921%0.207SC..Hα-helixtrans-57.2-44.9174.8166172.6-175.7-46.60111.2F79 D80 F81 A85 I86 D87 Y115F79-K83 HydrophobicContact CE1-CD 4.4Å; F79-K83 WeakPolarHBondContact O-CB 3.43Å; F79-K83 PolarHBondContact O-N 2.99Å; D80-K83 PolarHBondContact O-N 3.46Å; F81-K83 VanDerWaalsContact C-N 3.34Å; F81-K83 PolarHBondContact O-N 3.45Å; K83-A85 VanDerWaalsContact C-N 3.35Å; K83-I86 PolarHBondContact O-N 3.47Å; K83-D87 IonicContact NZ-OD2 2.7Å; K83-D87 PolarHBondContact NZ-OD2 3.06Å; K83-D87 WeakPolarHBondContact O-CB 3.47Å; K83-D87 PolarHBondContact O-N 3.45Å; K83-Y115 HydrophobicContact CB-CD1 4.44Å; K83-Y115 HydrophobicContact CB-CE1 4.09Å; K83-Y115 HydrophobicContact CD-CE1 4.4Å; K83-Y115 HydrophobicContact CD-CE2 3.89Å; K83-Y115 VanDerWaalsContact CE-OH 3.28Å; K83-Y115 WeakPolarHBondContact CE-OH 3.37Å; K83-Y115 HydrophobicContact CG-CD1 4.45Å; K83-Y115 HydrophobicContact CG-CE1 3.7Å; K83-Y115 HydrophobicContact CG-CE2 4.1Å
84Q98.5Very high96.9Very high78 Ų7839.6 Ų39.636%0.36421%0.207SC..Hα-helixtrans-62.8-41.6177.5-173.8177.41.900111.5L51 E52 D80 F81 I82 I86 D87 L88L51-Q84 HydrophobicContact CD2-CB 3.96Å; L51-Q84 HydrophobicContact CD2-CG 3.82Å; E52-Q84 PolarHBondContact OE1-NE2 3.01Å; D80-Q84 WeakPolarHBondContact O-CB 3.23Å; D80-Q84 PolarHBondContact O-N 2.7Å; F81-Q84 WeakPolarHBondContact O-CB 2.94Å; F81-Q84 PolarHBondContact O-N 3.19Å; I82-Q84 VanDerWaalsContact C-N 3.3Å; I82-Q84 PolarHBondContact O-N 2.92Å; Q84-I86 PolarHBondContact O-N 3.37Å; Q84-D87 PolarHBondContact O-N 2.91Å; Q84-L88 HydrophobicContact CG-CD1 3.95Å; Q84-L88 HydrophobicContact CG-CG 4.49Å; Q84-L88 WeakPolarHBondContact O-CB 3.48Å; Q84-L88 VanDerWaalsContact O-CG 3.25Å; Q84-L88 WeakPolarHBondContact O-CG 3.38Å; Q84-L88 PolarHBondContact O-N 3.33Å
85A98.7Very high96.9Very high0 Ų039.5 Ų39.50%021%0.206CC..Hα-helixtrans-60.6-45.8176.600000111.5L51 L73 F81 I82 K83 D87 L88 G89 F90 V93L51-A85 HydrophobicContact CD1-CB 3.89Å; L51-A85 HydrophobicContact CD2-CB 4.09Å; L51-A85 HydrophobicContact CG-CB 4.47Å; L73-A85 HydrophobicContact CB-CB 4.31Å; L73-A85 HydrophobicContact CD2-CB 3.75Å; L73-A85 HydrophobicContact CG-CB 4.43Å; F81-A85 PolarHBondContact O-N 3.31Å; I82-A85 WeakPolarHBondContact O-CB 3.48Å; I82-A85 PolarHBondContact O-N 3.19Å; K83-A85 VanDerWaalsContact C-N 3.35Å; A85-D87 VanDerWaalsContact C-N 3.35Å; A85-D87 PolarHBondContact O-N 3.32Å; A85-L88 PolarHBondContact O-N 2.86Å; A85-G89 PolarHBondContact O-N 2.99Å; A85-F90 HydrophobicContact CB-CB 4.35Å; A85-F90 HydrophobicContact CB-CD2 3.8Å; A85-F90 HydrophobicContact CB-CE2 4.19Å; A85-F90 HydrophobicContact CB-CG 4Å; A85-F90 WeakPolarHBondContact O-CB 3.43Å; A85-F90 WeakPolarHBondContact O-CD2 3.36Å; A85-F90 PolarHBondContact O-N 2.9Å; A85-F90 VanDerWaalsContact O-N 3.08Å; A85-V93 HydrophobicContact CB-CG1 4.49Å
86I98.7Very high97.1Very high11 Ų1139.3 Ų39.36%0.05621%0.207CC..Hα-helixtrans-57.4-49174.4-69.5174.8000110.7I82 K83 Q84 L88 G89 V93 Y115 A116 R119 V121I82-I86 HydrophobicContact CG2-CD1 4.14Å; I82-I86 WeakPolarHBondContact O-CG1 3.25Å; I82-I86 PolarHBondContact O-N 2.91Å; K83-I86 PolarHBondContact O-N 3.47Å; Q84-I86 PolarHBondContact O-N 3.37Å; I86-L88 PolarHBondContact O-N 3.23Å; I86-G89 PolarHBondContact O-N 2.96Å; I86-V93 HydrophobicContact CD1-CG1 4.38Å; I86-V93 HydrophobicContact CD1-CG2 4.08Å; I86-V93 HydrophobicContact CG1-CG1 3.75Å; I86-V93 HydrophobicContact CG1-CG2 4.35Å; I86-Y115 HydrophobicContact CB-CE1 4.13Å; I86-Y115 HydrophobicContact CD1-CD1 3.76Å; I86-Y115 HydrophobicContact CD1-CE1 4.23Å; I86-Y115 HydrophobicContact CG2-CD1 4.29Å; I86-Y115 HydrophobicContact CG2-CE1 3.84Å; I86-A116 HydrophobicContact CD1-CB 3.86Å; I86-R119 HydrophobicContact CG2-CB 4.4Å; I86-R119 VanDerWaalsContact CG2-CD 3.44Å; I86-V121 HydrophobicContact CD1-CG1 4.33Å; I86-V121 HydrophobicContact CG1-CG1 4.08Å; I86-V121 HydrophobicContact CG2-CG2 4.08Å
87D98.4Very high97.2Very high84 Ų8439.6 Ų39.645%0.44921%0.209SC..Hα-helixtrans-65.7-27.6-178.2-66.4-17.9000112.2K83 Q84 A85 G89 Y115 R119K83-D87 IonicContact NZ-OD2 2.7Å; K83-D87 PolarHBondContact NZ-OD2 3.06Å; K83-D87 WeakPolarHBondContact O-CB 3.47Å; K83-D87 PolarHBondContact O-N 3.45Å; Q84-D87 PolarHBondContact O-N 2.91Å; A85-D87 VanDerWaalsContact C-N 3.35Å; A85-D87 PolarHBondContact O-N 3.32Å; D87-G89 VanDerWaalsContact C-N 3.31Å; D87-Y115 VanDerWaalsContact CG-OH 3.28Å; D87-Y115 PolarHBondContact OD1-OH 2.95Å; D87-Y115 PolarHBondContact OD2-OH 2.96Å; D87-R119 IonicContact OD1-NE 2.65Å
88L98.4Very high97.2Very high48 Ų4833.5 Ų33.525%0.25118%0.181SC..Hα-helixtrans-77.8-14.5174-72167.2000113.5L51 E52 A55 K59 Q84 A85 I86L51-L88 HydrophobicContact CB-CD1 4.45Å; L51-L88 HydrophobicContact CD2-CD1 3.97Å; L51-L88 HydrophobicContact CG-CD1 3.72Å; E52-L88 HydrophobicContact CG-CD1 4.14Å; E52-L88 HydrophobicContact CG-CD2 4.12Å; A55-L88 HydrophobicContact CB-CB 3.74Å; A55-L88 HydrophobicContact CB-CD1 4.39Å; K59-L88 VanDerWaalsContact CD-O 3.26Å; K59-L88 WeakPolarHBondContact CD-O 3.38Å; K59-L88 PolarHBondContact NZ-O 3.33Å; Q84-L88 HydrophobicContact CG-CD1 3.95Å; Q84-L88 HydrophobicContact CG-CG 4.49Å; Q84-L88 WeakPolarHBondContact O-CB 3.48Å; Q84-L88 VanDerWaalsContact O-CG 3.25Å; Q84-L88 WeakPolarHBondContact O-CG 3.38Å; Q84-L88 PolarHBondContact O-N 3.33Å; A85-L88 PolarHBondContact O-N 2.86Å; I86-L88 PolarHBondContact O-N 3.23Å
89G97.3Very high97.1Very high30 Ų3037.9 Ų37.931%0.30920%0.197SC..THydrogen-bonded Turntrans104.725.3173.100000115A85 I86 D87A85-G89 PolarHBondContact O-N 2.99Å; I86-G89 PolarHBondContact O-N 2.96Å; D87-G89 VanDerWaalsContact C-N 3.31Å
90F98.7Very high97Very high1 Ų140.3 Ų40.30%0.00421%0.209CC..  trans-61134.3160.3-78.3-110.6000109.3F41 L51 A54 A55 L71 H72 L73 A85 V93 V121F41-F90 HydrophobicContact CB-CE1 4.16Å; F41-F90 HydrophobicContact CB-CZ 4.17Å; F41-F90 HydrophobicContact CD1-CZ 4.24Å; L51-F90 HydrophobicContact CD1-CE2 3.63Å; L51-F90 HydrophobicContact CD1-CZ 3.77Å; A54-F90 HydrophobicContact CB-CZ 4.41Å; A55-F90 HydrophobicContact CB-CD2 4.29Å; A55-F90 HydrophobicContact CB-CE2 3.79Å; L71-F90 HydrophobicContact CD1-CD1 4.04Å; L71-F90 HydrophobicContact CD1-CE1 3.64Å; L71-F90 HydrophobicContact CD1-CZ 4.05Å; L71-F90 HydrophobicContact CD2-CD1 4.11Å; L71-F90 HydrophobicContact CD2-CD2 4Å; L71-F90 HydrophobicContact CD2-CE1 4.21Å; L71-F90 HydrophobicContact CD2-CE2 4.13Å; L71-F90 HydrophobicContact CD2-CG 4.01Å; L71-F90 HydrophobicContact CD2-CZ 4.23Å; L71-F90 HydrophobicContact CG-CD1 3.58Å; L71-F90 HydrophobicContact CG-CD2 4.38Å; L71-F90 HydrophobicContact CG-CE1 3.71Å; L71-F90 HydrophobicContact CG-CG 3.95Å; L71-F90 HydrophobicContact CG-CZ 4.2Å; H72-F90 VanDerWaalsContact C-CD1 3.45Å; H72-F90 WeakPolarHBondContact O-CE1 3.33Å; L73-F90 HydrophobicContact CB-CD1 3.85Å; L73-F90 HydrophobicContact CB-CE1 4.03Å; L73-F90 VanDerWaalsContact N-CD1 3.34Å; A85-F90 HydrophobicContact CB-CB 4.35Å; A85-F90 HydrophobicContact CB-CD2 3.8Å; A85-F90 HydrophobicContact CB-CE2 4.19Å; A85-F90 HydrophobicContact CB-CG 4Å; A85-F90 WeakPolarHBondContact O-CB 3.43Å; A85-F90 WeakPolarHBondContact O-CD2 3.36Å; A85-F90 PolarHBondContact O-N 2.9Å; A85-F90 VanDerWaalsContact O-N 3.08Å; F90-V93 HydrophobicContact CB-CG1 4.24Å; F90-V121 WeakPolarHBondContact O-CG2 3.14Å
91T98.2Very high96.9Very high76 Ų7637.6 Ų37.647%0.46620%0.199SC..SBendtrans-98.9-5.8-179.1550000112.9L71 T122L71-T91 PolarHBondContact O-N 3.23Å; T91-T122 PolarHBondContact O-N 2.77Å; T91-T122 PolarHBondContact O-OG1 3.22Å
92S98.7Very high96.7Very high3 Ų339 Ų392%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-146.9142.2173.4-172.60000109.8L71 H72 L73 T122L71-S92 PolarHBondContact O-N 2.82Å; H72-S92 CarbonylContact C-O 3.54Å; H72-S92 VanDerWaalsContact CA-O 3.27Å; H72-S92 WeakPolarHBondContact CA-O 3.48Å; H72-S92 WeakPolarHBondContact ND1-CB 3.42Å; H72-S92 PolarHBondContact ND1-OG 3.45Å; L73-S92 PolarHBondContact N-O 3.17Å; S92-T122 CarbonylContact C-O 3.59Å; S92-T122 WeakPolarHBondContact CA-O 3.34Å; S92-T122 VanDerWaalsContact CB-OG1 3.27Å; S92-T122 WeakPolarHBondContact CB-OG1 3.5Å; S92-T122 PolarHBondContact OG-OG1 3.29Å; S92-T122 VanDerWaalsContact OG-OG1 3.06Å
93V98.8Very high96.7Very high0 Ų046.3 Ų46.30%024%0.242CC..EExtended strand (participates in β ladder)trans-138.9148.1177.2-61.80000111.1L73 I82 A85 I86 F90 V112 V121 T122 V123 E124L73-V93 HydrophobicContact CB-CB 4.07Å; L73-V93 HydrophobicContact CB-CG1 3.85Å; L73-V93 HydrophobicContact CD2-CB 4.44Å; L73-V93 HydrophobicContact CD2-CG1 4.35Å; L73-V93 CarbonylContact O-C 3.57Å; I82-V93 HydrophobicContact CG2-CB 3.98Å; I82-V93 HydrophobicContact CG2-CG1 4.26Å; I82-V93 HydrophobicContact CG2-CG2 3.73Å; A85-V93 HydrophobicContact CB-CG1 4.49Å; I86-V93 HydrophobicContact CD1-CG1 4.38Å; I86-V93 HydrophobicContact CD1-CG2 4.08Å; I86-V93 HydrophobicContact CG1-CG1 3.75Å; I86-V93 HydrophobicContact CG1-CG2 4.35Å; F90-V93 HydrophobicContact CB-CG1 4.24Å; V93-V112 HydrophobicContact CG2-CG1 4.21Å; V93-V121 HydrophobicContact CG1-CG1 4.33Å; V93-V121 HydrophobicContact CG2-CG1 4.24Å; V93-T122 PolarHBondContact N-O 2.95Å; V93-V123 HydrophobicContact CG2-CG2 4.13Å; V93-V123 CarbonylContact O-C 3.59Å; V93-V123 WeakPolarHBondContact O-CA 3.43Å; V93-E124 PolarHBondContact O-N 3.27Å
94M98.5Very high96.6Very high0 Ų045.9 Ų45.90%024%0.243CC..EExtended strand (participates in β ladder)trans-107.5133.4171.3-177.7-176.1177.900110.3L73 H75 G76 D96 E124 E126 A165 H200L73-M94 VanDerWaalsContact O-CB 3.28Å; L73-M94 WeakPolarHBondContact O-CB 3.47Å; L73-M94 PolarHBondContact O-N 2.89Å; H75-M94 PolarHBondContact N-SD 3.41Å; G76-M94 VanDerWaalsContact CA-O 3.27Å; G76-M94 WeakPolarHBondContact CA-O 3.49Å; G76-M94 PolarHBondContact N-O 3.28Å; M94-D96 HydrophobicContact CE-CB 4.34Å; M94-E124 CarbonylContact C-O 3.59Å; M94-E124 VanDerWaalsContact CA-O 3.25Å; M94-E124 WeakPolarHBondContact CA-O 3.28Å; M94-E124 HydrophobicContact CB-CB 4.1Å; M94-E124 HydrophobicContact CB-CG 4.5Å; M94-E124 HydrophobicContact CG-CB 4.23Å; M94-E124 HydrophobicContact CG-CG 4.18Å; M94-E126 HydrophobicContact CE-CB 3.83Å; M94-E126 WeakPolarHBondContact CE-OE2 3.01Å; M94-A165 HydrophobicContact CE-CB 4.31Å; M94-H200 WeakPolarHBondContact CE-NE2 3.29Å; M94-H200 PolarHBondContact SD-CE1 2.91Å; M94-H200 PolarHBondContact SD-NE2 3.2Å; M94-H200 VanDerWaalsContact SD-NE2 3.42Å
95I98.2Very high96.6Very high1 Ų142.3 Ų42.31%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-103.6117.5164.2174.961.5000109.1G76 I82 A97 I108 T109 V112 V123 E124 A125G76-I95 CarbonylContact O-C 3.29Å; G76-I95 WeakPolarHBondContact O-CA 3.38Å; G76-I95 WeakPolarHBondContact O-CD1 3.46Å; I82-I95 HydrophobicContact CD1-CB 3.86Å; I82-I95 HydrophobicContact CD1-CD1 3.53Å; I82-I95 HydrophobicContact CD1-CG1 4.22Å; I95-A97 HydrophobicContact CG1-CB 4.43Å; I95-I108 HydrophobicContact CD1-CG2 3.69Å; I95-I108 HydrophobicContact CG1-CG2 3.85Å; I95-T109 HydrophobicContact CG2-CG2 3.99Å; I95-V112 HydrophobicContact CB-CB 4.49Å; I95-V112 HydrophobicContact CB-CG2 4.08Å; I95-V112 HydrophobicContact CD1-CG2 4.32Å; I95-V112 HydrophobicContact CG1-CG2 4.1Å; I95-V112 HydrophobicContact CG2-CB 4.37Å; I95-V112 HydrophobicContact CG2-CG1 4.49Å; I95-V112 HydrophobicContact CG2-CG2 4.43Å; I95-V123 HydrophobicContact CG2-CG1 4Å; I95-E124 PolarHBondContact N-O 3.38Å; I95-A125 HydrophobicContact CG2-CB 3.9Å; I95-A125 WeakPolarHBondContact O-CA 3.26Å
96D94.7Very high96.6Very high27 Ų2743.6 Ų43.614%0.14423%0.233CC..  trans-99.388.8174.2-172.1-4.6000110.1H75 G76 M94 S98H75-D96 HydrophobicContact CB-CB 4.49Å; H75-D96 IonicContact CE1-OD2 3.63Å; H75-D96 IonicContact CG-OD2 2.61Å; H75-D96 IonicContact ND1-OD2 3.08Å; H75-D96 PolarHBondContact ND1-OD2 3.1Å; G76-D96 PolarHBondContact O-N 3.45Å; M94-D96 HydrophobicContact CE-CB 4.34Å; D96-S98 WeakPolarHBondContact OD1-CB 3.32Å; D96-S98 PolarHBondContact OD1-N 2.8Å; D96-S98 VanDerWaalsContact OD1-N 3.1Å; D96-S98 PolarHBondContact OD1-OG 3.37Å
97A95.4Very high96.5Very high6 Ų649.5 Ų49.55%0.0526%0.261CS..  trans-107.126.1168.500000111.2I95 K99 E100 N105 I108I95-A97 HydrophobicContact CG1-CB 4.43Å; A97-K99 PolarHBondContact O-N 2.82Å; A97-E100 HydrophobicContact CB-CG 4.34Å; A97-E100 WeakPolarHBondContact O-CB 3.48Å; A97-E100 PolarHBondContact O-N 2.98Å; A97-N105 HydrophobicContact CB-CB 4.19Å; A97-N105 PolarHBondContact O-ND2 2.77Å; A97-I108 HydrophobicContact CB-CB 4.31Å; A97-I108 HydrophobicContact CB-CD1 4.2Å; A97-I108 HydrophobicContact CB-CG2 4.19Å
98S90.7Very high96.5Very high10 Ų1048.1 Ų48.17%0.0725%0.253CS..THydrogen-bonded Turntrans-59.1-28.6-174.856.10000114.5D96 E100 G128 H129D96-S98 WeakPolarHBondContact OD1-CB 3.32Å; D96-S98 PolarHBondContact OD1-N 2.8Å; D96-S98 VanDerWaalsContact OD1-N 3.1Å; D96-S98 PolarHBondContact OD1-OG 3.37Å; S98-E100 VanDerWaalsContact C-N 3.35Å; S98-G128 WeakPolarHBondContact CB-O 3.46Å; S98-H129 PolarHBondContact OG-ND1 3.47Å
99K89.3Confident96.5Very high159 Ų15945.9 Ų45.969%0.69124%0.241SC*.THydrogen-bonded Turntrans-82.5-11.6179.4-64.6-179.3-178.2172.80113.8A97 H129A97-K99 PolarHBondContact O-N 2.82Å; K99-H129 WeakPolarHBondContact CE-CE1 3.49Å; K99-H129 WeakPolarHBondContact CE-NE2 3.15Å
100E93.7Very high96.6Very high95 Ų9548.2 Ų48.244%0.44424%0.242SC..SBendtrans-78.9164.6177.9-69.9-65.4150.600111.6A97 S98 N104 N105 I108A97-E100 HydrophobicContact CB-CG 4.34Å; A97-E100 WeakPolarHBondContact O-CB 3.48Å; A97-E100 PolarHBondContact O-N 2.98Å; S98-E100 VanDerWaalsContact C-N 3.35Å; E100-N104 HydrophobicContact CB-CB 3.81Å; E100-N104 HydrophobicContact CG-CB 4.33Å; E100-N104 PolarHBondContact OE2-ND2 3.5Å; E100-N105 HydrophobicContact CB-CB 4.39Å; E100-I108 HydrophobicContact CG-CD1 3.94Å
101S94.7Very high96.6Very high61 Ų6153.6 Ų53.643%0.42727%0.266SS..  trans-60.9154.9167.573.30000110.6E103 N104 N105S101-E103 PolarHBondContact O-N 2.88Å; S101-E103 VanDerWaalsContact O-N 3.17Å; S101-N104 PolarHBondContact O-N 3.1Å; S101-N104 VanDerWaalsContact O-N 3.11Å; S101-N104 PolarHBondContact OG-N 2.84Å; S101-N105 WeakPolarHBondContact O-CB 3.33Å; S101-N105 PolarHBondContact O-N 3.08Å
102L94.5Very high96.6Very high57 Ų5750 Ų5030%0.29824%0.244SC..Hα-helixtrans-52.3-41178.2178.663.3000112.4N105 I106 L127 D151 F155L102-N105 PolarHBondContact O-N 3.34Å; L102-I106 HydrophobicContact CD1-CD1 4.1Å; L102-I106 HydrophobicContact CD1-CG1 4.4Å; L102-I106 HydrophobicContact CG-CD1 4.04Å; L102-I106 WeakPolarHBondContact O-CB 3.37Å; L102-I106 VanDerWaalsContact O-CG1 3.25Å; L102-I106 WeakPolarHBondContact O-CG1 3.43Å; L102-I106 PolarHBondContact O-N 3.47Å; L102-L127 HydrophobicContact CD1-CD1 3.71Å; L102-D151 HydrophobicContact CD1-CB 4.31Å; L102-D151 HydrophobicContact CD2-CB 4Å; L102-F155 HydrophobicContact CD1-CD2 3.89Å
103E97.4Very high96.6Very high154 Ų15450.3 Ų50.372%0.7225%0.245SC*.Hα-helixtrans-63.6-48.3178.5-174173.7-171.600111.8S101 I106 E107S101-E103 PolarHBondContact O-N 2.88Å; S101-E103 VanDerWaalsContact O-N 3.17Å; E103-I106 PolarHBondContact O-N 3.22Å; E103-E107 PolarHBondContact O-N 3.48Å
104N97.7Very high96.6Very high62 Ų6254.6 Ų54.633%0.33227%0.268SS..Hα-helixtrans-65-41.6176.7-74.71.7000112E100 S101 I106 E107 I108E100-N104 HydrophobicContact CB-CB 3.81Å; E100-N104 HydrophobicContact CG-CB 4.33Å; E100-N104 PolarHBondContact OE2-ND2 3.5Å; S101-N104 PolarHBondContact O-N 3.1Å; S101-N104 VanDerWaalsContact O-N 3.11Å; S101-N104 PolarHBondContact OG-N 2.84Å; N104-I106 VanDerWaalsContact C-N 3.32Å; N104-I106 PolarHBondContact O-N 3.33Å; N104-E107 PolarHBondContact O-N 3.36Å; N104-I108 WeakPolarHBondContact O-CB 3.36Å; N104-I108 WeakPolarHBondContact O-CD1 3.22Å; N104-I108 VanDerWaalsContact O-CG1 3.23Å; N104-I108 WeakPolarHBondContact O-CG1 3.33Å; N104-I108 PolarHBondContact O-N 3.12Å
105N97.4Very high96.6Very high4 Ų456.1 Ų56.12%0.02127%0.274CS..Hα-helixtrans-61.5-42.4177.9-173.2-12.4000110.4A97 E100 S101 L102 T109 E126 F155A97-N105 HydrophobicContact CB-CB 4.19Å; A97-N105 PolarHBondContact O-ND2 2.77Å; E100-N105 HydrophobicContact CB-CB 4.39Å; S101-N105 WeakPolarHBondContact O-CB 3.33Å; S101-N105 PolarHBondContact O-N 3.08Å; L102-N105 PolarHBondContact O-N 3.34Å; N105-T109 WeakPolarHBondContact O-CB 3.28Å; N105-T109 PolarHBondContact O-N 2.77Å; N105-T109 PolarHBondContact O-OG1 3.42Å; N105-T109 PolarHBondContact OD1-OG1 2.8Å; N105-T109 VanDerWaalsContact OD1-OG1 3.08Å; N105-E126 PolarHBondContact ND2-O 3.43Å; N105-F155 HydrophobicContact CB-CE2 4.08Å; N105-F155 VanDerWaalsContact CG-CE2 3.48Å; N105-F155 VanDerWaalsContact OD1-CE2 3.29Å; N105-F155 WeakPolarHBondContact OD1-CE2 3.44Å; N105-F155 WeakPolarHBondContact OD1-CZ 3.21Å
106I98.4Very high96.6Very high26 Ų2656 Ų5613%0.13327%0.274CS..Hα-helixtrans-60.2-47.9172.6-71.9168.1000111.2L102 E103 N104 K110 T154 F155 N158 T159L102-I106 HydrophobicContact CD1-CD1 4.1Å; L102-I106 HydrophobicContact CD1-CG1 4.4Å; L102-I106 HydrophobicContact CG-CD1 4.04Å; L102-I106 WeakPolarHBondContact O-CB 3.37Å; L102-I106 VanDerWaalsContact O-CG1 3.25Å; L102-I106 WeakPolarHBondContact O-CG1 3.43Å; L102-I106 PolarHBondContact O-N 3.47Å; E103-I106 PolarHBondContact O-N 3.22Å; N104-I106 VanDerWaalsContact C-N 3.32Å; N104-I106 PolarHBondContact O-N 3.33Å; I106-K110 WeakPolarHBondContact O-CB 3.38Å; I106-K110 PolarHBondContact O-N 2.93Å; I106-T154 HydrophobicContact CD1-CG2 4.27Å; I106-F155 HydrophobicContact CD1-CD2 4.34Å; I106-F155 HydrophobicContact CG1-CD2 3.52Å; I106-F155 HydrophobicContact CG1-CE2 3.91Å; I106-F155 HydrophobicContact CG1-CG 4.33Å; I106-N158 HydrophobicContact CD1-CB 4.34Å; I106-N158 HydrophobicContact CG2-CB 3.54Å; I106-T159 HydrophobicContact CB-CG2 4.31Å; I106-T159 HydrophobicContact CG1-CG2 4.27Å; I106-T159 HydrophobicContact CG2-CG2 4.17Å
107E98.3Very high96.7Very high136 Ų13661.2 Ų61.264%0.63630%0.297SS*.Hα-helixtrans-60.4-49.4-179.6-175.1-178.1179.100112E103 N104 K110 K111E103-E107 PolarHBondContact O-N 3.48Å; N104-E107 PolarHBondContact O-N 3.36Å; E107-K110 PolarHBondContact O-N 2.76Å; E107-K111 PolarHBondContact O-N 3.33Å
108I98.1Very high96.8Very high55 Ų5565.4 Ų65.428%0.28232%0.324SS..Hα-helixtrans-65.3-46.8-179-65.3164.2000110.3I95 A97 E100 N104 K110 K111 V112I95-I108 HydrophobicContact CD1-CG2 3.69Å; I95-I108 HydrophobicContact CG1-CG2 3.85Å; A97-I108 HydrophobicContact CB-CB 4.31Å; A97-I108 HydrophobicContact CB-CD1 4.2Å; A97-I108 HydrophobicContact CB-CG2 4.19Å; E100-I108 HydrophobicContact CG-CD1 3.94Å; N104-I108 WeakPolarHBondContact O-CB 3.36Å; N104-I108 WeakPolarHBondContact O-CD1 3.22Å; N104-I108 VanDerWaalsContact O-CG1 3.23Å; N104-I108 WeakPolarHBondContact O-CG1 3.33Å; N104-I108 PolarHBondContact O-N 3.12Å; I108-K110 PolarHBondContact O-N 3.39Å; I108-K111 WeakPolarHBondContact O-CB 3.32Å; I108-K111 PolarHBondContact O-N 3.06Å; I108-V112 PolarHBondContact O-N 3.17Å
109T98.5Very high97.1Very high0 Ų070.3 Ų70.30%034%0.341CS..Hα-helixtrans-61.7-46.1178.5-640000110.9I95 N105 K111 V112 V113 A125 F155 T159 V161I95-T109 HydrophobicContact CG2-CG2 3.99Å; N105-T109 WeakPolarHBondContact O-CB 3.28Å; N105-T109 PolarHBondContact O-N 2.77Å; N105-T109 PolarHBondContact O-OG1 3.42Å; N105-T109 PolarHBondContact OD1-OG1 2.8Å; N105-T109 VanDerWaalsContact OD1-OG1 3.08Å; T109-K111 VanDerWaalsContact C-N 3.27Å; T109-K111 PolarHBondContact O-N 2.84Å; T109-V112 WeakPolarHBondContact O-CB 3.27Å; T109-V112 PolarHBondContact O-N 3.18Å; T109-V112 VanDerWaalsContact O-N 3.08Å; T109-V113 HydrophobicContact CG2-CG2 4.29Å; T109-V113 WeakPolarHBondContact O-CG2 3.27Å; T109-V113 PolarHBondContact O-N 3.27Å; T109-A125 HydrophobicContact CG2-CB 3.59Å; T109-F155 HydrophobicContact CG2-CE1 4.25Å; T109-F155 HydrophobicContact CG2-CZ 4.07Å; T109-T159 HydrophobicContact CG2-CG2 3.68Å; T109-V161 HydrophobicContact CG2-CB 4.5Å
110K98.3Very high97.5Very high79 Ų7970 Ų7034%0.34335%0.347SS..Hα-helixtrans-58.3-41177.3177165.2175.138.80111.7I106 E107 I108 V112 V113 D114I106-K110 WeakPolarHBondContact O-CB 3.38Å; I106-K110 PolarHBondContact O-N 2.93Å; E107-K110 PolarHBondContact O-N 2.76Å; I108-K110 PolarHBondContact O-N 3.39Å; K110-V112 VanDerWaalsContact C-N 3.3Å; K110-V112 PolarHBondContact O-N 3.34Å; K110-V113 PolarHBondContact O-N 3.07Å; K110-D114 VanDerWaalsContact NZ-CG 3.25Å; K110-D114 IonicContact NZ-OD1 2.82Å; K110-D114 PolarHBondContact NZ-OD1 2.83Å; K110-D114 IonicContact NZ-OD2 2.86Å; K110-D114 PolarHBondContact NZ-OD2 3.31Å; K110-D114 WeakPolarHBondContact O-CB 3.31Å; K110-D114 VanDerWaalsContact O-CG 3.23Å; K110-D114 PolarHBondContact O-N 3.06Å
111K98.3Very high97.8Very high115 Ų11566.1 Ų66.150%0.533%0.33SS..Hα-helixtrans-59.7-40.4176.4-171.5-174.4175.2-174.50112F79 E107 I108 T109 Y115F79-K111 HydrophobicContact CD2-CD 3.97Å; F79-K111 HydrophobicContact CD2-CG 3.89Å; F79-K111 HydrophobicContact CE2-CD 4.25Å; F79-K111 HydrophobicContact CE2-CG 3.75Å; F79-K111 WeakPolarHBondContact CE2-O 3.21Å; F79-K111 HydrophobicContact CG-CD 4.12Å; F79-K111 HydrophobicContact CG-CG 4.5Å; F79-K111 HydrophobicContact CZ-CG 4.23Å; E107-K111 PolarHBondContact O-N 3.33Å; I108-K111 WeakPolarHBondContact O-CB 3.32Å; I108-K111 PolarHBondContact O-N 3.06Å; T109-K111 VanDerWaalsContact C-N 3.27Å; T109-K111 PolarHBondContact O-N 2.84Å; K111-Y115 PolarHBondContact O-N 2.97Å
112V98.6Very high97.9Very high1 Ų165.9 Ų65.91%0.00633%0.326CS..Hα-helixtrans-68-46.3175.4175.80000111.2F79 I82 V93 I95 I108 T109 K110 D114 Y115 A116 V123F79-V112 HydrophobicContact CD2-CG2 3.86Å; F79-V112 HydrophobicContact CE2-CG2 4.46Å; I82-V112 HydrophobicContact CD1-CG2 4.02Å; I82-V112 HydrophobicContact CG2-CG1 3.75Å; V93-V112 HydrophobicContact CG2-CG1 4.21Å; I95-V112 HydrophobicContact CB-CB 4.49Å; I95-V112 HydrophobicContact CB-CG2 4.08Å; I95-V112 HydrophobicContact CD1-CG2 4.32Å; I95-V112 HydrophobicContact CG1-CG2 4.1Å; I95-V112 HydrophobicContact CG2-CB 4.37Å; I95-V112 HydrophobicContact CG2-CG1 4.49Å; I95-V112 HydrophobicContact CG2-CG2 4.43Å; I108-V112 PolarHBondContact O-N 3.17Å; T109-V112 WeakPolarHBondContact O-CB 3.27Å; T109-V112 PolarHBondContact O-N 3.18Å; T109-V112 VanDerWaalsContact O-N 3.08Å; K110-V112 VanDerWaalsContact C-N 3.3Å; K110-V112 PolarHBondContact O-N 3.34Å; V112-D114 PolarHBondContact O-N 2.98Å; V112-Y115 PolarHBondContact O-N 3.08Å; V112-Y115 VanDerWaalsContact O-N 3.12Å; V112-A116 WeakPolarHBondContact O-CB 3.42Å; V112-A116 PolarHBondContact O-N 3.18Å; V112-V123 HydrophobicContact CG1-CG1 3.88Å; V112-V123 HydrophobicContact CG1-CG2 4.02Å
113V98.6Very high98.1Very high8 Ų863.2 Ų63.25%0.04831%0.312CS..Hα-helixtrans-58.1-46.8177.11740000111.5T109 K110 Y115 A116 Q117 V123 T159T109-V113 HydrophobicContact CG2-CG2 4.29Å; T109-V113 WeakPolarHBondContact O-CG2 3.27Å; T109-V113 PolarHBondContact O-N 3.27Å; K110-V113 PolarHBondContact O-N 3.07Å; V113-Y115 PolarHBondContact O-N 3.22Å; V113-A116 PolarHBondContact O-N 2.88Å; V113-A116 VanDerWaalsContact O-N 3.12Å; V113-Q117 WeakPolarHBondContact O-CB 3.26Å; V113-Q117 PolarHBondContact O-N 2.98Å; V113-V123 HydrophobicContact CG2-CB 3.9Å; V113-V123 HydrophobicContact CG2-CG1 3.94Å; V113-V123 HydrophobicContact CG2-CG2 4.09Å; V113-T159 WeakPolarHBondContact CG1-O 3.4Å
114D98.4Very high98.2Very high90 Ų9055.9 Ų55.948%0.48128%0.277SS..Hα-helixtrans-61.4-28.5179.5-71.4-18000112K110 V112 P118K110-D114 VanDerWaalsContact NZ-CG 3.25Å; K110-D114 IonicContact NZ-OD1 2.82Å; K110-D114 PolarHBondContact NZ-OD1 2.83Å; K110-D114 IonicContact NZ-OD2 2.86Å; K110-D114 PolarHBondContact NZ-OD2 3.31Å; K110-D114 WeakPolarHBondContact O-CB 3.31Å; K110-D114 VanDerWaalsContact O-CG 3.23Å; K110-D114 PolarHBondContact O-N 3.06Å; V112-D114 PolarHBondContact O-N 2.98Å; D114-P118 WeakPolarHBondContact O-CD 3.45Å
115Y98.5Very high98.2Very high32 Ų3252.9 Ų52.913%0.12526%0.262CS..Hα-helixtrans-80.5-41.3173.2-170.3-95.2000112.9F79 K83 I86 D87 K111 V112 V113 R119F79-Y115 HydrophobicContact CE2-CG 4.47Å; F79-Y115 HydrophobicContact CZ-CD2 4.19Å; F79-Y115 HydrophobicContact CZ-CG 4.16Å; K83-Y115 HydrophobicContact CB-CD1 4.44Å; K83-Y115 HydrophobicContact CB-CE1 4.09Å; K83-Y115 HydrophobicContact CD-CE1 4.4Å; K83-Y115 HydrophobicContact CD-CE2 3.89Å; K83-Y115 VanDerWaalsContact CE-OH 3.28Å; K83-Y115 WeakPolarHBondContact CE-OH 3.37Å; K83-Y115 HydrophobicContact CG-CD1 4.45Å; K83-Y115 HydrophobicContact CG-CE1 3.7Å; K83-Y115 HydrophobicContact CG-CE2 4.1Å; I86-Y115 HydrophobicContact CB-CE1 4.13Å; I86-Y115 HydrophobicContact CD1-CD1 3.76Å; I86-Y115 HydrophobicContact CD1-CE1 4.23Å; I86-Y115 HydrophobicContact CG2-CD1 4.29Å; I86-Y115 HydrophobicContact CG2-CE1 3.84Å; D87-Y115 VanDerWaalsContact CG-OH 3.28Å; D87-Y115 PolarHBondContact OD1-OH 2.95Å; D87-Y115 PolarHBondContact OD2-OH 2.96Å; K111-Y115 PolarHBondContact O-N 2.97Å; V112-Y115 PolarHBondContact O-N 3.08Å; V112-Y115 VanDerWaalsContact O-N 3.12Å; V113-Y115 PolarHBondContact O-N 3.22Å; Y115-R119 VanDerWaalsContact CE2-CZ 3.41Å; Y115-R119 VanDerWaalsContact CZ-NH2 3.26Å; Y115-R119 PolarHBondContact O-NH1 2.91Å; Y115-R119 PolarHBondContact OH-NE 3.43Å; Y115-R119 PolarHBondContact OH-NH2 3.05Å
116A98.6Very high98.2Very high0 Ų052.8 Ų52.80%026%0.261CS..Hα-helixtrans-75.9-39.4-173.900000113.3I86 V112 V113 R119 N120 V121 V123I86-A116 HydrophobicContact CD1-CB 3.86Å; V112-A116 WeakPolarHBondContact O-CB 3.42Å; V112-A116 PolarHBondContact O-N 3.18Å; V113-A116 PolarHBondContact O-N 2.88Å; V113-A116 VanDerWaalsContact O-N 3.12Å; A116-R119 CarbonylContact O-C 3.5Å; A116-R119 WeakPolarHBondContact O-CA 3.46Å; A116-R119 WeakPolarHBondContact O-CB 3.4Å; A116-R119 PolarHBondContact O-N 2.8Å; A116-N120 PolarHBondContact O-N 2.85Å; A116-V121 HydrophobicContact CB-CB 4.06Å; A116-V121 HydrophobicContact CB-CG1 4.27Å; A116-V121 WeakPolarHBondContact CB-O 3.43Å; A116-V121 PolarHBondContact O-N 2.68Å; A116-V123 HydrophobicContact CB-CG2 3.36Å
117Q96.8Very high98Very high135 Ų13552 Ų5263%0.63126%0.257SS*.G310 helixtrans-58.9-47.2-171.8-169.3-75.5-24.100113.5V113 R119 N120V113-Q117 WeakPolarHBondContact O-CB 3.26Å; V113-Q117 PolarHBondContact O-N 2.98Å; Q117-R119 PolarHBondContact O-N 2.65Å; Q117-N120 PolarHBondContact O-N 3.48Å
118P97.9Very high97.6Very high95 Ų9546.1 Ų46.162%0.61723%0.233SC*.G310 helixtrans-64.9-14.1177.6-21.934.7000113.8D114D114-P118 WeakPolarHBondContact O-CD 3.45Å
119R98.1Very high97Very high112 Ų11244.2 Ų44.242%0.42322%0.223SC..G310 helixtrans-101.34.4179.8-63.2168.9176.666.94.2112.4I86 D87 Y115 A116 Q117 V121I86-R119 HydrophobicContact CG2-CB 4.4Å; I86-R119 VanDerWaalsContact CG2-CD 3.44Å; D87-R119 IonicContact OD1-NE 2.65Å; Y115-R119 VanDerWaalsContact CE2-CZ 3.41Å; Y115-R119 VanDerWaalsContact CZ-NH2 3.26Å; Y115-R119 PolarHBondContact O-NH1 2.91Å; Y115-R119 PolarHBondContact OH-NE 3.43Å; Y115-R119 PolarHBondContact OH-NH2 3.05Å; A116-R119 CarbonylContact O-C 3.5Å; A116-R119 WeakPolarHBondContact O-CA 3.46Å; A116-R119 WeakPolarHBondContact O-CB 3.4Å; A116-R119 PolarHBondContact O-N 2.8Å; Q117-R119 PolarHBondContact O-N 2.65Å; R119-V121 HydrophobicContact CB-CG2 4.31Å; R119-V121 PolarHBondContact O-N 3.46Å
120N97.1Very high96Very high153 Ų15344.4 Ų44.482%0.81822%0.224SC*.THydrogen-bonded Turntrans55.637.3-177-165.156.4000112.6A116 Q117A116-N120 PolarHBondContact O-N 2.85Å; Q117-N120 PolarHBondContact O-N 3.48Å
121V98.6Very high94.5Very high13 Ų1340.7 Ų40.78%0.07921%0.208CC..  trans-102.8133172.9173.60000108.7I86 F90 V93 A116 R119I86-V121 HydrophobicContact CD1-CG1 4.33Å; I86-V121 HydrophobicContact CG1-CG1 4.08Å; I86-V121 HydrophobicContact CG2-CG2 4.08Å; F90-V121 WeakPolarHBondContact O-CG2 3.14Å; V93-V121 HydrophobicContact CG1-CG1 4.33Å; V93-V121 HydrophobicContact CG2-CG1 4.24Å; A116-V121 HydrophobicContact CB-CB 4.06Å; A116-V121 HydrophobicContact CB-CG1 4.27Å; A116-V121 WeakPolarHBondContact CB-O 3.43Å; A116-V121 PolarHBondContact O-N 2.68Å; R119-V121 HydrophobicContact CB-CG2 4.31Å; R119-V121 PolarHBondContact O-N 3.46Å
122T98.6Very high92.8Very high56 Ų5638.2 Ų38.234%0.34421%0.209SC..EExtended strand (participates in β ladder)trans-82143.4177.152.30000111.3T91 S92 V93 D162T91-T122 PolarHBondContact O-N 2.77Å; T91-T122 PolarHBondContact O-OG1 3.22Å; S92-T122 CarbonylContact C-O 3.59Å; S92-T122 WeakPolarHBondContact CA-O 3.34Å; S92-T122 VanDerWaalsContact CB-OG1 3.27Å; S92-T122 WeakPolarHBondContact CB-OG1 3.5Å; S92-T122 PolarHBondContact OG-OG1 3.29Å; S92-T122 VanDerWaalsContact OG-OG1 3.06Å; V93-T122 PolarHBondContact N-O 2.95Å; T122-D162 VanDerWaalsContact CA-OD2 3.25Å; T122-D162 WeakPolarHBondContact CA-OD2 3.49Å; T122-D162 HydrophobicContact CG2-CB 4.15Å
123V98.8Very high90.7Very high1 Ų138.6 Ų38.61%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-113.9127.4177.9-176.60000110.1V93 I95 V112 V113 A116 V161 D162 S163V93-V123 HydrophobicContact CG2-CG2 4.13Å; V93-V123 CarbonylContact O-C 3.59Å; V93-V123 WeakPolarHBondContact O-CA 3.43Å; I95-V123 HydrophobicContact CG2-CG1 4Å; V112-V123 HydrophobicContact CG1-CG1 3.88Å; V112-V123 HydrophobicContact CG1-CG2 4.02Å; V113-V123 HydrophobicContact CG2-CB 3.9Å; V113-V123 HydrophobicContact CG2-CG1 3.94Å; V113-V123 HydrophobicContact CG2-CG2 4.09Å; A116-V123 HydrophobicContact CB-CG2 3.36Å; V123-V161 HydrophobicContact CG1-CG2 4.37Å; V123-V161 WeakPolarHBondContact O-CG2 3.27Å; V123-D162 PolarHBondContact N-OD2 3.36Å; V123-D162 WeakPolarHBondContact O-CB 3.2Å; V123-D162 PolarHBondContact O-N 3.44Å; V123-S163 PolarHBondContact O-N 2.88Å
124E98.8Very high88.3Confident0 Ų043 Ų430%024%0.241CC..EExtended strand (participates in β ladder)trans-98143.1164.2-175.3174.8129.200109.2H72 V93 M94 I95 S163 V198 H200 K220H72-E124 IonicContact CE1-OE2 3.07Å; H72-E124 IonicContact NE2-OE2 2.61Å; V93-E124 PolarHBondContact O-N 3.27Å; M94-E124 CarbonylContact C-O 3.59Å; M94-E124 VanDerWaalsContact CA-O 3.25Å; M94-E124 WeakPolarHBondContact CA-O 3.28Å; M94-E124 HydrophobicContact CB-CB 4.1Å; M94-E124 HydrophobicContact CB-CG 4.5Å; M94-E124 HydrophobicContact CG-CB 4.23Å; M94-E124 HydrophobicContact CG-CG 4.18Å; I95-E124 PolarHBondContact N-O 3.38Å; E124-S163 WeakPolarHBondContact CA-O 3.48Å; E124-S163 WeakPolarHBondContact CB-OG 3.16Å; E124-V198 HydrophobicContact CG-CG2 4.32Å; E124-V198 WeakPolarHBondContact OE1-CG1 3.31Å; E124-H200 IonicContact OE1-CD2 2.79Å; E124-H200 IonicContact OE1-CE1 3.58Å; E124-H200 IonicContact OE1-NE2 3.14Å; E124-H200 PolarHBondContact OE1-NE2 3.48Å; E124-K220 VanDerWaalsContact CD-NZ 3.25Å; E124-K220 IonicContact OE1-NZ 3.51Å; E124-K220 PolarHBondContact OE1-NZ 3.06Å; E124-K220 VanDerWaalsContact OE2-CD 3.22Å; E124-K220 WeakPolarHBondContact OE2-CD 3.01Å; E124-K220 WeakPolarHBondContact OE2-CE 3.49Å; E124-K220 IonicContact OE2-NZ 2.65Å; E124-K220 PolarHBondContact OE2-NZ 2.9Å
125A98.2Very high85.7Confident0 Ų040.5 Ų40.50%023%0.227CC..EExtended strand (participates in β ladder)trans-136.5154.9171.200000110.7I95 T109 F155 V161 S163 A165I95-A125 HydrophobicContact CG2-CB 3.9Å; I95-A125 WeakPolarHBondContact O-CA 3.26Å; T109-A125 HydrophobicContact CG2-CB 3.59Å; A125-F155 HydrophobicContact CB-CE1 3.84Å; A125-F155 HydrophobicContact CB-CZ 3.93Å; A125-V161 HydrophobicContact CB-CG2 3.79Å; A125-S163 PolarHBondContact N-O 3.5Å; A125-A165 PolarHBondContact O-N 2.88Å
126E96.5Very high83Confident1 Ų139.7 Ų39.71%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-101.8129.2178.3-169.2171.6151.600112H75 M94 N105 H129 V130 A165H75-E126 IonicContact CE1-OE2 3.72Å; M94-E126 HydrophobicContact CE-CB 3.83Å; M94-E126 WeakPolarHBondContact CE-OE2 3.01Å; N105-E126 PolarHBondContact ND2-O 3.43Å; E126-H129 VanDerWaalsContact OE1-CA 3.31Å; E126-H129 WeakPolarHBondContact OE1-CA 3.44Å; E126-H129 IonicContact OE1-ND1 2.71Å; E126-V130 PolarHBondContact OE1-N 3.5Å; E126-A165 HydrophobicContact CB-CB 4.03Å; E126-A165 HydrophobicContact CG-CB 4.05Å
127L93.8Very high80.5Confident10 Ų1046 Ų465%0.05225%0.253CS..EExtended strand (participates in β ladder)trans-121.9128.3172.6-177.767.9000110.2L102 T147 D151 V152 F155 L164 A165L102-L127 HydrophobicContact CD1-CD1 3.71Å; L127-T147 HydrophobicContact CB-CG2 4.32Å; L127-T147 HydrophobicContact CD2-CG2 3.93Å; L127-T147 HydrophobicContact CG-CG2 4Å; L127-T147 WeakPolarHBondContact O-CB 3.44Å; L127-T147 PolarHBondContact O-OG1 2.92Å; L127-D151 HydrophobicContact CD2-CB 4.29Å; L127-V152 HydrophobicContact CD2-CB 4.44Å; L127-V152 HydrophobicContact CD2-CG2 3.95Å; L127-F155 HydrophobicContact CD1-CD2 3.92Å; L127-F155 HydrophobicContact CD1-CE2 4.42Å; L127-F155 HydrophobicContact CD1-CG 4.3Å; L127-F155 HydrophobicContact CD2-CB 3.97Å; L127-F155 HydrophobicContact CD2-CG 4.26Å; L127-L164 HydrophobicContact CB-CD1 3.87Å; L127-L164 HydrophobicContact CB-CG 4.48Å; L127-L164 HydrophobicContact CD2-CD2 4.49Å; L127-A165 PolarHBondContact N-O 2.75Å
128G90.4Very high77.6Confident13 Ų1344.1 Ų44.113%0.13425%0.248CC..SBendtrans88-164.5-15600000109.2S98 I145S98-G128 WeakPolarHBondContact CB-O 3.46Å; G128-I145 CarbonylContact C-O 3.46Å; G128-I145 VanDerWaalsContact CA-O 3.23Å; G128-I145 WeakPolarHBondContact CA-O 3.19Å
129H85.6Confident75Confident15 Ų1545.8 Ų45.87%0.06925%0.247CC..BIsolated β-bridgetrans-146.2129.4174.3-17251.6000110.3S98 K99 E126 D143 S144 I145 S167S98-H129 PolarHBondContact OG-ND1 3.47Å; K99-H129 WeakPolarHBondContact CE-CE1 3.49Å; K99-H129 WeakPolarHBondContact CE-NE2 3.15Å; E126-H129 VanDerWaalsContact OE1-CA 3.31Å; E126-H129 WeakPolarHBondContact OE1-CA 3.44Å; E126-H129 IonicContact OE1-ND1 2.71Å; H129-D143 IonicContact NE2-OD2 3.38Å; H129-S144 CarbonylContact O-C 3.6Å; H129-S144 VanDerWaalsContact O-CA 3.23Å; H129-S144 WeakPolarHBondContact O-CA 3.36Å; H129-I145 HydrophobicContact CB-CB 4.01Å; H129-I145 HydrophobicContact CB-CD1 4.31Å; H129-I145 HydrophobicContact CB-CG1 4.19Å; H129-I145 PolarHBondContact N-O 2.91Å; H129-I145 PolarHBondContact O-N 2.86Å; H129-S167 WeakPolarHBondContact O-CB 3.45Å; H129-S167 PolarHBondContact O-OG 3.15Å
130V77.4Confident72.5Confident4 Ų449.6 Ų49.62%0.02427%0.269CS..  trans-91.7104.3169.3-179.50000108.8E126 H200E126-V130 PolarHBondContact OE1-N 3.5Å; V130-H200 HydrophobicContact CB-CB 4.47Å; V130-H200 HydrophobicContact CG1-CB 4.49Å; V130-H200 HydrophobicContact CG2-CB 4.11Å
131G67.7Low70.2Confident1 Ų145.2 Ų45.21%0.0125%0.248CC..  trans-74.8174.9-176.300000114.3D143 S144 A171 H172G131-D143 WeakPolarHBondContact CA-OD1 3.4Å; G131-S144 WeakPolarHBondContact CA-OG 3.28Å; G131-S144 PolarHBondContact N-OG 2.84Å; G131-A171 CarbonylContact O-C 3.48Å; G131-A171 VanDerWaalsContact O-CA 3.28Å; G131-A171 WeakPolarHBondContact O-CA 3.39Å; G131-A171 WeakPolarHBondContact O-CB 3.32Å; G131-H172 PolarHBondContact O-N 3.21Å
132A61.8Low68.2Low63 Ų6346.1 Ų46.152%0.52125%0.254SS..BIsolated β-bridgetrans-86.1129.2170.700000110.4D143A132-D143 PolarHBondContact N-OD1 2.94Å
133G54.7Low66.5Low9 Ų947.6 Ų47.69%0.09326%0.259CS..  trans-89.2134.7-179.500000111.7H172G133-H172 PolarHBondContact N-O 2.87Å
134T48.8Very low65Low101 Ų10148.5 Ų48.562%0.6227%0.266SS*.SBendtrans-112.2-36.4160.6570000111.7
135N42.2Very low63.9Low36 Ų3653.4 Ų53.419%0.19329%0.291CS..BIsolated β-bridgetrans-161.7124.8176.7-166.1-1.4000112.1E137 T141 K176N135-E137 WeakPolarHBondContact OD1-CB 3.36Å; N135-E137 PolarHBondContact OD1-N 2.93Å; N135-E137 VanDerWaalsContact OD1-N 3.11Å; N135-T141 PolarHBondContact O-OG1 3.1Å; N135-T141 VanDerWaalsContact O-OG1 3.06Å; N135-K176 PolarHBondContact OD1-O 3.13Å
136Y43.7Very low63.4Low16 Ų1657.6 Ų57.66%0.06331%0.308CS..THydrogen-bonded Turntrans-83.5-14.5174.8-100.2-75.7000113.6N138 T142 G169 T170 A171 Y175 K176 P179Y136-N138 PolarHBondContact O-N 3.26Å; Y136-N138 VanDerWaalsContact O-N 3.15Å; Y136-T142 HydrophobicContact CE1-CG2 4.29Å; Y136-T142 HydrophobicContact CE2-CG2 4.5Å; Y136-G169 VanDerWaalsContact CZ-O 3.3Å; Y136-G169 VanDerWaalsContact OH-C 3.24Å; Y136-G169 PolarHBondContact OH-O 2.85Å; Y136-T170 VanDerWaalsContact OH-C 3.3Å; Y136-T170 PolarHBondContact OH-O 3.21Å; Y136-A171 HydrophobicContact CE2-CB 3.75Å; Y136-Y175 AromaticContact CD2-CD2 3.66Å; Y136-Y175 HydrophobicContact CD2-CD2 3.66Å; Y136-Y175 AromaticContact CD2-CE2 3.65Å; Y136-Y175 HydrophobicContact CD2-CE2 3.65Å; Y136-Y175 HydrophobicContact CD2-CG 4.32Å; Y136-Y175 HydrophobicContact CE2-CD2 4.36Å; Y136-Y175 HydrophobicContact CE2-CE2 4.1Å; Y136-K176 PolarHBondContact N-O 2.84Å; Y136-P179 HydrophobicContact CD2-CB 4.33Å; Y136-P179 HydrophobicContact CE2-CB 4.14Å
137E44.1Very low63.2Low133 Ų13357.5 Ų57.562%0.62131%0.307SS*.THydrogen-bonded Turntrans-61.3-22.7173-67.9-176.8167.700111.6N135N135-E137 WeakPolarHBondContact OD1-CB 3.36Å; N135-E137 PolarHBondContact OD1-N 2.93Å; N135-E137 VanDerWaalsContact OD1-N 3.11Å
138N36.9Very low63.1Low95 Ų9559.8 Ų59.851%0.50832%0.322SS..SBendtrans-118.492.3172.1-67.8-15.8000109.6Y136 E140 T141Y136-N138 PolarHBondContact O-N 3.26Å; Y136-N138 VanDerWaalsContact O-N 3.15Å; N138-E140 PolarHBondContact O-N 3.48Å; N138-T141 PolarHBondContact O-N 3.48Å; N138-T141 PolarHBondContact O-OG1 3.38Å
139H43.3Very low63.2Low130 Ų13060.8 Ų60.860%0.60233%0.325SS*.G310 helixtrans-50.3-17.7174.6-71.1-71.4000114.4T141H139-T141 PolarHBondContact O-N 2.85Å
140E45.2Very low63.6Low191 Ų19167.3 Ų67.389%0.89335%0.353SS*.G310 helixtrans-70.1-10177.1-64.8-171.5160.600114.9N138N138-E140 PolarHBondContact O-N 3.48Å
141T49.8Very low64.4Low62 Ų6269 Ų6938%0.3836%0.362SS..G310 helixtrans-105.97.1-171.254.50000116N135 N138 H139N135-T141 PolarHBondContact O-OG1 3.1Å; N135-T141 VanDerWaalsContact O-OG1 3.06Å; N138-T141 PolarHBondContact O-N 3.48Å; N138-T141 PolarHBondContact O-OG1 3.38Å; H139-T141 PolarHBondContact O-N 2.85Å
142T55.3Low65.8Low31 Ų3168.9 Ų68.919%0.1936%0.361CS..  trans-107.4133.7173.877.60000110.4Y136 S144Y136-T142 HydrophobicContact CE1-CG2 4.29Å; Y136-T142 HydrophobicContact CE2-CG2 4.5Å; T142-S144 PolarHBondContact O-N 3.37Å
143D62.8Low67.4Low87 Ų8770.3 Ų70.347%0.46536%0.357SS..  trans-79.79.5170.359.2-27.9000113.3H129 G131 A132H129-D143 IonicContact NE2-OD2 3.38Å; G131-D143 WeakPolarHBondContact CA-OD1 3.4Å; A132-D143 PolarHBondContact N-OD1 2.94Å
144S68Low69.4Low21 Ų2172.8 Ų72.815%0.14737%0.37CS..  trans-60.4135178.9-54.40000112.5H129 G131 T142H129-S144 CarbonylContact O-C 3.6Å; H129-S144 VanDerWaalsContact O-CA 3.23Å; H129-S144 WeakPolarHBondContact O-CA 3.36Å; G131-S144 WeakPolarHBondContact CA-OG 3.28Å; G131-S144 PolarHBondContact N-OG 2.84Å; T142-S144 PolarHBondContact O-N 3.37Å
145I76.7Confident71.8Confident102 Ų10268 Ų6852%0.52334%0.341SS..BIsolated β-bridgetrans-117.9115.7176.3-58173000107.9G128 H129 S167G128-I145 CarbonylContact C-O 3.46Å; G128-I145 VanDerWaalsContact CA-O 3.23Å; G128-I145 WeakPolarHBondContact CA-O 3.19Å; H129-I145 HydrophobicContact CB-CB 4.01Å; H129-I145 HydrophobicContact CB-CD1 4.31Å; H129-I145 HydrophobicContact CB-CG1 4.19Å; H129-I145 PolarHBondContact N-O 2.91Å; H129-I145 PolarHBondContact O-N 2.86Å; I145-S167 WeakPolarHBondContact O-CB 3.14Å; I145-S167 PolarHBondContact O-OG 3.09Å
146Y85.8Confident74.4Confident88 Ų8867.4 Ų67.435%0.34534%0.337SS..PPolyproline II helixtrans-64139.4179.5-68.6-17.2000112.6V148 S167Y146-V148 PolarHBondContact O-N 3.23Å; Y146-S167 WeakPolarHBondContact CA-O 3.42Å
147T92.4Very high77Confident0 Ų073.2 Ų73.20%037%0.365CS..PPolyproline II helixtrans-60.8125.8174.5-51.90000110.3L127 V152 I166 S167 R185 I189L127-T147 HydrophobicContact CB-CG2 4.32Å; L127-T147 HydrophobicContact CD2-CG2 3.93Å; L127-T147 HydrophobicContact CG-CG2 4Å; L127-T147 WeakPolarHBondContact O-CB 3.44Å; L127-T147 PolarHBondContact O-OG1 2.92Å; T147-V152 HydrophobicContact CG2-CG2 3.76Å; T147-I166 HydrophobicContact CG2-CB 4.36Å; T147-I166 HydrophobicContact CG2-CG2 4.06Å; T147-I166 VanDerWaalsContact OG1-CA 3.31Å; T147-I166 WeakPolarHBondContact OG1-CA 3.34Å; T147-I166 WeakPolarHBondContact OG1-CB 3.4Å; T147-S167 PolarHBondContact N-O 3.27Å; T147-S167 PolarHBondContact OG1-N 2.89Å; T147-R185 WeakPolarHBondContact O-CD 3.41Å; T147-R185 PolarHBondContact O-NH1 3.4Å; T147-I189 HydrophobicContact CG2-CD1 3.82Å
148V92.1Very high79.6Confident58 Ų5870.7 Ų70.735%0.35236%0.356SS..PPolyproline II helixtrans-88.7124.7179.1177.60000110Y146 K150 D151 V152Y146-V148 PolarHBondContact O-N 3.23Å; V148-K150 HydrophobicContact CG1-CD 4.29Å; V148-K150 HydrophobicContact CG1-CG 3.51Å; V148-K150 PolarHBondContact O-N 3.27Å; V148-D151 HydrophobicContact CB-CB 4.36Å; V148-D151 WeakPolarHBondContact CB-OD2 3.37Å; V148-D151 PolarHBondContact O-N 3.34Å; V148-V152 PolarHBondContact O-N 3.26Å
149V93Very high82.5Confident34 Ų3466.2 Ų66.221%0.20633%0.332CS..Hα-helixtrans-53.9-46.6-173.6-177.50000112.9D151 V152 E188 I189 I192V149-D151 PolarHBondContact O-N 3.15Å; V149-V152 WeakPolarHBondContact O-CB 3.33Å; V149-V152 PolarHBondContact O-N 3.19Å; V149-E188 HydrophobicContact CG1-CB 4.32Å; V149-E188 HydrophobicContact CG2-CB 3.8Å; V149-I189 HydrophobicContact CG2-CG1 4.21Å; V149-I192 HydrophobicContact CG1-CD1 3.55Å; V149-I192 HydrophobicContact CG1-CG1 4.47Å; V149-I192 VanDerWaalsContact O-CD1 3.3Å; V149-I192 WeakPolarHBondContact O-CD1 3.29Å
150K93.1Very high85Confident152 Ų15265.3 Ų65.366%0.66133%0.332SS*.Hα-helixtrans-63.1-25.3-179.957157.9-168.4176.10113.8V148V148-K150 HydrophobicContact CG1-CD 4.29Å; V148-K150 HydrophobicContact CG1-CG 3.51Å; V148-K150 PolarHBondContact O-N 3.27Å
151D95.6Very high87.5Confident38 Ų3856.5 Ų56.520%0.20329%0.291CS..Hα-helixtrans-82.6-22.4-177-61-15000110.4L102 L127 V148 V149 T154 F155L102-D151 HydrophobicContact CD1-CB 4.31Å; L102-D151 HydrophobicContact CD2-CB 4Å; L127-D151 HydrophobicContact CD2-CB 4.29Å; V148-D151 HydrophobicContact CB-CB 4.36Å; V148-D151 WeakPolarHBondContact CB-OD2 3.37Å; V148-D151 PolarHBondContact O-N 3.34Å; V149-D151 PolarHBondContact O-N 3.15Å; D151-T154 PolarHBondContact O-N 3.04Å; D151-F155 WeakPolarHBondContact O-CB 3.3Å; D151-F155 PolarHBondContact O-N 3.49Å
152V97.4Very high89.9Confident0 Ų057.1 Ų57.10%029%0.292CS..Hα-helixtrans-59-51.4179.81740000112.1L127 T147 V148 V149 F155 I156 L164 I189 I192 T193L127-V152 HydrophobicContact CD2-CB 4.44Å; L127-V152 HydrophobicContact CD2-CG2 3.95Å; T147-V152 HydrophobicContact CG2-CG2 3.76Å; V148-V152 PolarHBondContact O-N 3.26Å; V149-V152 WeakPolarHBondContact O-CB 3.33Å; V149-V152 PolarHBondContact O-N 3.19Å; V152-F155 PolarHBondContact O-N 2.88Å; V152-I156 HydrophobicContact CG1-CD1 3.66Å; V152-I156 HydrophobicContact CG1-CG1 4.47Å; V152-I156 WeakPolarHBondContact O-CG1 3.46Å; V152-I156 PolarHBondContact O-N 3.16Å; V152-L164 HydrophobicContact CG1-CD2 3.85Å; V152-L164 HydrophobicContact CG2-CD2 4.37Å; V152-I189 HydrophobicContact CG1-CG2 4.29Å; V152-I189 HydrophobicContact CG2-CD1 4.39Å; V152-I189 HydrophobicContact CG2-CG1 4.17Å; V152-I189 HydrophobicContact CG2-CG2 4.21Å; V152-I192 HydrophobicContact CB-CD1 3.93Å; V152-I192 HydrophobicContact CG1-CD1 4.12Å; V152-T193 HydrophobicContact CG1-CG2 4.23Å
153Q94.9Very high91.9Very high93 Ų9355.8 Ų55.844%0.43528%0.284SS..Hα-helixtrans-62.3-48.1179.5-82.6176-25.800111.2F155 I156 E157 I192Q153-F155 VanDerWaalsContact C-N 3.26Å; Q153-F155 PolarHBondContact O-N 2.91Å; Q153-I156 PolarHBondContact O-N 3.33Å; Q153-E157 WeakPolarHBondContact O-CB 3.38Å; Q153-E157 VanDerWaalsContact O-CG 3.28Å; Q153-E157 WeakPolarHBondContact O-CG 3.37Å; Q153-E157 PolarHBondContact O-N 3.33Å; Q153-I192 HydrophobicContact CG-CB 4.48Å; Q153-I192 HydrophobicContact CG-CD1 4.19Å
154T96.6Very high93.6Very high60 Ų6051.7 Ų51.737%0.36826%0.262SS..Hα-helixtrans-55.9-44.5176.7-55.50000110.8I106 D151 N158I106-T154 HydrophobicContact CD1-CG2 4.27Å; D151-T154 PolarHBondContact O-N 3.04Å; T154-N158 WeakPolarHBondContact O-CB 3.49Å; T154-N158 PolarHBondContact O-N 2.81Å; T154-N158 PolarHBondContact O-ND2 3.49Å
155F98.4Very high95.1Very high0 Ų050.7 Ų50.70%026%0.255CS..Hα-helixtrans-65.6-49.4-179.2-167.7-90.7000112L102 N105 I106 T109 A125 L127 D151 V152 Q153 N158 T159 V161 L164L102-F155 HydrophobicContact CD1-CD2 3.89Å; N105-F155 HydrophobicContact CB-CE2 4.08Å; N105-F155 VanDerWaalsContact CG-CE2 3.48Å; N105-F155 VanDerWaalsContact OD1-CE2 3.29Å; N105-F155 WeakPolarHBondContact OD1-CE2 3.44Å; N105-F155 WeakPolarHBondContact OD1-CZ 3.21Å; I106-F155 HydrophobicContact CD1-CD2 4.34Å; I106-F155 HydrophobicContact CG1-CD2 3.52Å; I106-F155 HydrophobicContact CG1-CE2 3.91Å; I106-F155 HydrophobicContact CG1-CG 4.33Å; T109-F155 HydrophobicContact CG2-CE1 4.25Å; T109-F155 HydrophobicContact CG2-CZ 4.07Å; A125-F155 HydrophobicContact CB-CE1 3.84Å; A125-F155 HydrophobicContact CB-CZ 3.93Å; L127-F155 HydrophobicContact CD1-CD2 3.92Å; L127-F155 HydrophobicContact CD1-CE2 4.42Å; L127-F155 HydrophobicContact CD1-CG 4.3Å; L127-F155 HydrophobicContact CD2-CB 3.97Å; L127-F155 HydrophobicContact CD2-CG 4.26Å; D151-F155 WeakPolarHBondContact O-CB 3.3Å; D151-F155 PolarHBondContact O-N 3.49Å; V152-F155 PolarHBondContact O-N 2.88Å; Q153-F155 VanDerWaalsContact C-N 3.26Å; Q153-F155 PolarHBondContact O-N 2.91Å; F155-N158 PolarHBondContact O-N 3.32Å; F155-T159 HydrophobicContact CD1-CG2 4.17Å; F155-T159 HydrophobicContact CD2-CG2 4.47Å; F155-T159 HydrophobicContact CE1-CG2 3.92Å; F155-T159 HydrophobicContact CE2-CG2 4.23Å; F155-T159 HydrophobicContact CG-CG2 4.44Å; F155-T159 HydrophobicContact CZ-CG2 3.97Å; F155-T159 WeakPolarHBondContact O-CB 3.48Å; F155-T159 VanDerWaalsContact O-CG2 3.26Å; F155-T159 WeakPolarHBondContact O-CG2 3.33Å; F155-T159 PolarHBondContact O-N 3.23Å; F155-T159 PolarHBondContact O-OG1 2.7Å; F155-V161 HydrophobicContact CD1-CG1 4.44Å; F155-V161 HydrophobicContact CE1-CG1 4.31Å; F155-L164 HydrophobicContact CD1-CD1 3.79Å; F155-L164 HydrophobicContact CE1-CD1 3.87Å
156I98.1Very high96Very high24 Ų2445.9 Ų45.912%0.12323%0.23CC..Hα-helixtrans-63.7-46.1-178.4-68.8170.2000110.9V152 Q153 N158 T159 N160 V161 L164 T193 V195V152-I156 HydrophobicContact CG1-CD1 3.66Å; V152-I156 HydrophobicContact CG1-CG1 4.47Å; V152-I156 WeakPolarHBondContact O-CG1 3.46Å; V152-I156 PolarHBondContact O-N 3.16Å; Q153-I156 PolarHBondContact O-N 3.33Å; I156-N158 VanDerWaalsContact C-N 3.28Å; I156-N158 PolarHBondContact O-N 3.3Å; I156-T159 PolarHBondContact O-N 3.23Å; I156-N160 WeakPolarHBondContact O-CA 3.41Å; I156-N160 PolarHBondContact O-N 2.81Å; I156-V161 HydrophobicContact CG1-CG1 4.41Å; I156-L164 HydrophobicContact CD1-CD2 4.26Å; I156-L164 HydrophobicContact CG1-CD2 4.44Å; I156-T193 HydrophobicContact CD1-CG2 4.1Å; I156-T193 WeakPolarHBondContact CD1-OG1 3.48Å; I156-V195 HydrophobicContact CD1-CB 4Å; I156-V195 HydrophobicContact CD1-CG2 3.86Å; I156-V195 HydrophobicContact CG1-CG2 4.29Å; I156-V195 HydrophobicContact CG2-CG2 3.76Å
157E97.1Very high96.3Very high138 Ų13841.7 Ų41.765%0.64521%0.214SC*.Hα-helixtrans-63-34.4-178.8-72.3174.4-179.100112.6Q153Q153-E157 WeakPolarHBondContact O-CB 3.38Å; Q153-E157 VanDerWaalsContact O-CG 3.28Å; Q153-E157 WeakPolarHBondContact O-CG 3.37Å; Q153-E157 PolarHBondContact O-N 3.33Å
158N98.2Very high96.2Very high81 Ų8141.7 Ų41.743%0.43321%0.214SC..Hα-helixtrans-90.9-15.2-177.8-71.2-83.4000113.7I106 T154 F155 I156I106-N158 HydrophobicContact CD1-CB 4.34Å; I106-N158 HydrophobicContact CG2-CB 3.54Å; T154-N158 WeakPolarHBondContact O-CB 3.49Å; T154-N158 PolarHBondContact O-N 2.81Å; T154-N158 PolarHBondContact O-ND2 3.49Å; F155-N158 PolarHBondContact O-N 3.32Å; I156-N158 VanDerWaalsContact C-N 3.28Å; I156-N158 PolarHBondContact O-N 3.3Å
159T98.2Very high95.8Very high0 Ų038.9 Ų38.90%020%0.197CC..Hα-helixtrans-107.9-34.1-179.759.80000113.5I106 T109 V113 F155 I156 V161I106-T159 HydrophobicContact CB-CG2 4.31Å; I106-T159 HydrophobicContact CG1-CG2 4.27Å; I106-T159 HydrophobicContact CG2-CG2 4.17Å; T109-T159 HydrophobicContact CG2-CG2 3.68Å; V113-T159 WeakPolarHBondContact CG1-O 3.4Å; F155-T159 HydrophobicContact CD1-CG2 4.17Å; F155-T159 HydrophobicContact CD2-CG2 4.47Å; F155-T159 HydrophobicContact CE1-CG2 3.92Å; F155-T159 HydrophobicContact CE2-CG2 4.23Å; F155-T159 HydrophobicContact CG-CG2 4.44Å; F155-T159 HydrophobicContact CZ-CG2 3.97Å; F155-T159 WeakPolarHBondContact O-CB 3.48Å; F155-T159 VanDerWaalsContact O-CG2 3.26Å; F155-T159 WeakPolarHBondContact O-CG2 3.33Å; F155-T159 PolarHBondContact O-N 3.23Å; F155-T159 PolarHBondContact O-OG1 2.7Å; I156-T159 PolarHBondContact O-N 3.23Å; T159-V161 PolarHBondContact O-N 2.95Å; T159-V161 PolarHBondContact OG1-N 3Å
160N96.5Very high95.3Very high112 Ų11237.3 Ų37.360%0.59919%0.187SC*.  trans53.837.9-165.6-56.7-75.1000113.2I156I156-N160 WeakPolarHBondContact O-CA 3.41Å; I156-N160 PolarHBondContact O-N 2.81Å
161V98.2Very high94.3Very high6 Ų630 Ų304%0.03616%0.156CC..  trans-61.7145.1175.368.50000112T109 V123 A125 F155 I156 T159 S163 L164T109-V161 HydrophobicContact CG2-CB 4.5Å; V123-V161 HydrophobicContact CG1-CG2 4.37Å; V123-V161 WeakPolarHBondContact O-CG2 3.27Å; A125-V161 HydrophobicContact CB-CG2 3.79Å; F155-V161 HydrophobicContact CD1-CG1 4.44Å; F155-V161 HydrophobicContact CE1-CG1 4.31Å; I156-V161 HydrophobicContact CG1-CG1 4.41Å; T159-V161 PolarHBondContact O-N 2.95Å; T159-V161 PolarHBondContact OG1-N 3Å; V161-S163 WeakPolarHBondContact CG2-O 3.27Å; V161-L164 HydrophobicContact CG1-CD1 4.5Å
162D98.6Very high93.2Very high75 Ų7531.1 Ų31.140%0.40116%0.16SC..SBendtrans-83.6-25.7-176.9-62.3-83.8000113.5T122 V123 P196T122-D162 VanDerWaalsContact CA-OD2 3.25Å; T122-D162 WeakPolarHBondContact CA-OD2 3.49Å; T122-D162 HydrophobicContact CG2-CB 4.15Å; V123-D162 PolarHBondContact N-OD2 3.36Å; V123-D162 WeakPolarHBondContact O-CB 3.2Å; V123-D162 PolarHBondContact O-N 3.44Å; D162-P196 WeakPolarHBondContact O-CD 3.32Å
163S98.7Very high91.6Very high3 Ų332.5 Ų32.52%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-149.9149.5173.253.80000111.8V123 E124 A125 V161 P196V123-S163 PolarHBondContact O-N 2.88Å; E124-S163 WeakPolarHBondContact CA-O 3.48Å; E124-S163 WeakPolarHBondContact CB-OG 3.16Å; A125-S163 PolarHBondContact N-O 3.5Å; V161-S163 WeakPolarHBondContact CG2-O 3.27Å; S163-P196 CarbonylContact C-O 3.59Å; S163-P196 VanDerWaalsContact CA-O 3.3Å; S163-P196 WeakPolarHBondContact CA-O 3.28Å; S163-P196 WeakPolarHBondContact CB-O 3.4Å
164L98.6Very high90Very high0 Ų031.4 Ų31.40%018%0.18CC..EExtended strand (participates in β ladder)trans-121.8113.5-174.1-171.869.3000111.1L127 V152 F155 I156 V161 I166 V195 P196 L197 V198L127-L164 HydrophobicContact CB-CD1 3.87Å; L127-L164 HydrophobicContact CB-CG 4.48Å; L127-L164 HydrophobicContact CD2-CD2 4.49Å; V152-L164 HydrophobicContact CG1-CD2 3.85Å; V152-L164 HydrophobicContact CG2-CD2 4.37Å; F155-L164 HydrophobicContact CD1-CD1 3.79Å; F155-L164 HydrophobicContact CE1-CD1 3.87Å; I156-L164 HydrophobicContact CD1-CD2 4.26Å; I156-L164 HydrophobicContact CG1-CD2 4.44Å; V161-L164 HydrophobicContact CG1-CD1 4.5Å; L164-I166 HydrophobicContact CD2-CG2 4.11Å; L164-I166 HydrophobicContact CG-CG2 4.09Å; L164-V195 HydrophobicContact CB-CG1 4.24Å; L164-P196 PolarHBondContact N-O 3.03Å; L164-L197 HydrophobicContact CB-CD2 4.4Å; L164-L197 CarbonylContact O-C 3.54Å; L164-L197 WeakPolarHBondContact O-CA 3.46Å; L164-V198 PolarHBondContact O-N 2.95Å
165A98Very high88.2Confident1 Ų129.6 Ų29.61%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-72.4128167.300000110.2M94 A125 E126 L127 V198M94-A165 HydrophobicContact CE-CB 4.31Å; A125-A165 PolarHBondContact O-N 2.88Å; E126-A165 HydrophobicContact CB-CB 4.03Å; E126-A165 HydrophobicContact CG-CB 4.05Å; L127-A165 PolarHBondContact N-O 2.75Å; A165-V198 WeakPolarHBondContact CA-O 3.5Å; A165-V198 HydrophobicContact CB-CB 4.18Å; A165-V198 HydrophobicContact CB-CG1 4.47Å
166I96.3Very high86.2Confident0 Ų037 Ų370%020%0.199CC..EExtended strand (participates in β ladder)trans-121.7144.7-178.564.2169.1000110.9T147 L164 I168 L186 I189 L197 V198 I218T147-I166 HydrophobicContact CG2-CB 4.36Å; T147-I166 HydrophobicContact CG2-CG2 4.06Å; T147-I166 VanDerWaalsContact OG1-CA 3.31Å; T147-I166 WeakPolarHBondContact OG1-CA 3.34Å; T147-I166 WeakPolarHBondContact OG1-CB 3.4Å; L164-I166 HydrophobicContact CD2-CG2 4.11Å; L164-I166 HydrophobicContact CG-CG2 4.09Å; I166-I168 HydrophobicContact CD1-CG2 3.8Å; I166-I168 HydrophobicContact CG1-CG2 4.18Å; I166-L186 HydrophobicContact CD1-CD1 3.79Å; I166-I189 HydrophobicContact CB-CD1 4.49Å; I166-I189 HydrophobicContact CD1-CD1 4.06Å; I166-I189 HydrophobicContact CG2-CD1 4.32Å; I166-L197 HydrophobicContact CD1-CD1 4.3Å; I166-L197 HydrophobicContact CG2-CD2 4.32Å; I166-V198 PolarHBondContact N-O 3.11Å; I166-V198 VanDerWaalsContact N-O 3.1Å; I166-I218 HydrophobicContact CD1-CD1 4.07Å; I166-I218 HydrophobicContact CG1-CD1 4.22Å
167S93.2Very high84.2Confident0 Ų037.8 Ų37.80%021%0.213CC..  trans-99.3111.7174.8-178.80000109.8H129 I145 Y146 T147H129-S167 WeakPolarHBondContact O-CB 3.45Å; H129-S167 PolarHBondContact O-OG 3.15Å; I145-S167 WeakPolarHBondContact O-CB 3.14Å; I145-S167 PolarHBondContact O-OG 3.09Å; Y146-S167 WeakPolarHBondContact CA-O 3.42Å; T147-S167 PolarHBondContact N-O 3.27Å; T147-S167 PolarHBondContact OG1-N 2.89Å
168I88.7Confident82.4Confident0 Ų035 Ų350%021%0.206CC..SBendtrans-126.517.1-179.961.1168000112.7I166 L181 N182 R185 L186 L199I166-I168 HydrophobicContact CD1-CG2 3.8Å; I166-I168 HydrophobicContact CG1-CG2 4.18Å; I168-L181 HydrophobicContact CG1-CD2 4.16Å; I168-L181 CarbonylContact O-C 3.57Å; I168-L181 WeakPolarHBondContact O-CA 3.45Å; I168-N182 HydrophobicContact CB-CB 4.49Å; I168-N182 PolarHBondContact O-N 3.06Å; I168-R185 HydrophobicContact CG2-CG 4.23Å; I168-L186 HydrophobicContact CD1-CB 4.19Å; I168-L186 HydrophobicContact CD1-CD2 4.26Å; I168-L199 HydrophobicContact CD1-CD1 3.88Å; I168-L199 HydrophobicContact CG1-CD1 3.82Å
169G84.2Confident80.8Confident0 Ų031.3 Ų31.30%019%0.186CC..SBendtrans109.820.6176.900000116.1Y136 P179Y136-G169 VanDerWaalsContact CZ-O 3.3Å; Y136-G169 VanDerWaalsContact OH-C 3.24Å; Y136-G169 PolarHBondContact OH-O 2.85Å; G169-P179 WeakPolarHBondContact O-CB 3.4Å
170T82.3Confident79.5Confident0 Ų036.4 Ų36.40%022%0.217CC..  trans-85.6168161.9470000111Y136 L181 L199 H200 G201Y136-T170 VanDerWaalsContact OH-C 3.3Å; Y136-T170 PolarHBondContact OH-O 3.21Å; T170-L181 HydrophobicContact CG2-CD2 3.49Å; T170-L181 VanDerWaalsContact CG2-CD2 3.49Å; T170-L199 HydrophobicContact CG2-CD1 3.81Å; T170-L199 HydrophobicContact CG2-CD2 4.17Å; T170-L199 HydrophobicContact CG2-CG 4.04Å; T170-H200 WeakPolarHBondContact CB-O 3.4Å; T170-H200 WeakPolarHBondContact CG2-O 3.34Å; T170-H200 PolarHBondContact OG1-O 3.03Å; T170-G201 WeakPolarHBondContact CB-O 3.47Å; T170-G201 WeakPolarHBondContact CG2-O 3.32Å
171A73.2Confident78.6Confident0 Ų031.6 Ų31.60%019%0.191CC..  trans-146.9158.317100000110.2G131 Y136 Y175 G201G131-A171 CarbonylContact O-C 3.48Å; G131-A171 VanDerWaalsContact O-CA 3.28Å; G131-A171 WeakPolarHBondContact O-CA 3.39Å; G131-A171 WeakPolarHBondContact O-CB 3.32Å; Y136-A171 HydrophobicContact CE2-CB 3.75Å; A171-Y175 HydrophobicContact CB-CD1 4.48Å; A171-Y175 HydrophobicContact CB-CE1 4.36Å; A171-G201 WeakPolarHBondContact O-CA 3.43Å
172H71Confident77.9Confident61 Ų6133.4 Ų33.428%0.28220%0.201SC..BIsolated β-bridgetrans-81.4152.2174.4-68.1138.9000112.7H75 G131 G133H75-H172 AromaticContact CE1-CE1 3.65Å; H75-H172 AromaticContact NE2-CE1 3.46Å; H75-H172 PolarHBondContact NE2-CE1 3.43Å; H75-H172 AromaticContact NE2-NE2 3.78Å; G131-H172 PolarHBondContact O-N 3.21Å; G133-H172 PolarHBondContact N-O 2.87Å
173G63.8Low77Confident29 Ų2930.9 Ų30.930%0.29919%0.186SC..SBendtrans85.6-170.6174.500000114.5Y175G173-Y175 WeakPolarHBondContact O-CD1 3.37Å
174A61.2Low76.1Confident69 Ų6938.2 Ų38.257%0.5722%0.22SC*.  trans-90.4124.6176.900000110T225A174-T225 HydrophobicContact CB-CG2 4.29Å
175Y60.6Low75.6Confident22 Ų2241 Ų419%0.08623%0.231CC..  trans-136.8163.517854.1-92.1000111.2Y136 A171 G173 P179 S203Y136-Y175 AromaticContact CD2-CD2 3.66Å; Y136-Y175 HydrophobicContact CD2-CD2 3.66Å; Y136-Y175 AromaticContact CD2-CE2 3.65Å; Y136-Y175 HydrophobicContact CD2-CE2 3.65Å; Y136-Y175 HydrophobicContact CD2-CG 4.32Å; Y136-Y175 HydrophobicContact CE2-CD2 4.36Å; Y136-Y175 HydrophobicContact CE2-CE2 4.1Å; A171-Y175 HydrophobicContact CB-CD1 4.48Å; A171-Y175 HydrophobicContact CB-CE1 4.36Å; G173-Y175 WeakPolarHBondContact O-CD1 3.37Å; Y175-P179 HydrophobicContact CE2-CG 4.44Å; Y175-P179 WeakPolarHBondContact OH-CG 3.38Å; Y175-S203 PolarHBondContact OH-O 3.3Å; Y175-S203 VanDerWaalsContact OH-O 3.09Å
176K54.8Low75.2Confident156 Ų15640.9 Ų40.968%0.67823%0.23SC*.BIsolated β-bridgetrans-89.6139175.3-68.7-177.1-178.3176.60110.9N135 Y136N135-K176 PolarHBondContact OD1-O 3.13Å; Y136-K176 PolarHBondContact N-O 2.84Å
177G56.4Low74.5Confident41 Ų4143 Ų4342%0.42325%0.248SC..SBendtrans98.7170179.100000113.4
178T59.8Low74.4Confident79 Ų7947.1 Ų47.149%0.48527%0.267SS..  trans-97.5128.3170.9-56.90000107.8
179P65.6Low74.6Confident3 Ų347.1 Ų47.12%0.01927%0.267CS..  trans-63.1139.9179.527.6-32.8000110.3Y136 G169 Y175 N209Y136-P179 HydrophobicContact CD2-CB 4.33Å; Y136-P179 HydrophobicContact CE2-CB 4.14Å; G169-P179 WeakPolarHBondContact O-CB 3.4Å; Y175-P179 HydrophobicContact CE2-CG 4.44Å; Y175-P179 WeakPolarHBondContact OH-CG 3.38Å; P179-N209 PolarHBondContact O-ND2 2.92Å
180V69.3Low74.8Confident107 Ų10749.5 Ų49.565%0.64828%0.277SS*.  trans-93.9100171.8-178.40000107.5
181L77.4Confident75.2Confident12 Ų1257.3 Ų57.36%0.06331%0.314CS..  trans-80.6137.6-178.2-62.7166.3000111.2I168 T170 F183 N209I168-L181 HydrophobicContact CG1-CD2 4.16Å; I168-L181 CarbonylContact O-C 3.57Å; I168-L181 WeakPolarHBondContact O-CA 3.45Å; T170-L181 HydrophobicContact CG2-CD2 3.49Å; T170-L181 VanDerWaalsContact CG2-CD2 3.49Å; L181-F183 HydrophobicContact CB-CD2 4.14Å; L181-F183 HydrophobicContact CB-CE1 4.33Å; L181-F183 HydrophobicContact CB-CE2 3.63Å; L181-F183 HydrophobicContact CB-CZ 3.73Å; L181-F183 HydrophobicContact CD1-CE1 4.44Å; L181-F183 HydrophobicContact CD1-CE2 4.35Å; L181-F183 HydrophobicContact CD1-CZ 3.76Å; L181-F183 HydrophobicContact CG-CZ 4.39Å; L181-F183 VanDerWaalsContact O-CD2 3.31Å; L181-F183 WeakPolarHBondContact O-CD2 3.44Å; L181-F183 PolarHBondContact O-N 3.06Å; L181-N209 HydrophobicContact CD1-CB 3.76Å
182N83.4Confident76.2Confident44 Ų4459.9 Ų59.924%0.23533%0.327CS..  trans-82.581.1177.6-167.9-20.8000110.7I168 E184 R185 L186I168-N182 HydrophobicContact CB-CB 4.49Å; I168-N182 PolarHBondContact O-N 3.06Å; N182-E184 VanDerWaalsContact C-N 3.29Å; N182-E184 PolarHBondContact O-N 3.17Å; N182-E184 PolarHBondContact OD1-N 2.99Å; N182-R185 HydrophobicContact CB-CB 3.99Å; N182-R185 VanDerWaalsContact CG-CB 3.41Å; N182-R185 WeakPolarHBondContact O-CB 3.5Å; N182-R185 PolarHBondContact O-N 3.47Å; N182-R185 WeakPolarHBondContact OD1-CB 3.38Å; N182-R185 PolarHBondContact OD1-N 3.26Å; N182-L186 PolarHBondContact O-N 3.09Å; N182-L186 VanDerWaalsContact O-N 3.1Å
183F80.4Confident77.3Confident22 Ų2257.8 Ų57.810%0.09632%0.318CS..Hα-helixtrans-69.2-24.9178.5-68.4-71.4000113.7L181 L186 A187 R212L181-F183 HydrophobicContact CB-CD2 4.14Å; L181-F183 HydrophobicContact CB-CE1 4.33Å; L181-F183 HydrophobicContact CB-CE2 3.63Å; L181-F183 HydrophobicContact CB-CZ 3.73Å; L181-F183 HydrophobicContact CD1-CE1 4.44Å; L181-F183 HydrophobicContact CD1-CE2 4.35Å; L181-F183 HydrophobicContact CD1-CZ 3.76Å; L181-F183 HydrophobicContact CG-CZ 4.39Å; L181-F183 VanDerWaalsContact O-CD2 3.31Å; L181-F183 WeakPolarHBondContact O-CD2 3.44Å; L181-F183 PolarHBondContact O-N 3.06Å; F183-L186 HydrophobicContact CD1-CD2 4.13Å; F183-L186 PolarHBondContact O-N 3Å; F183-A187 WeakPolarHBondContact O-CB 3.46Å; F183-A187 PolarHBondContact O-N 3.36Å; F183-R212 HydrophobicContact CD1-CG 3.7Å; F183-R212 HydrophobicContact CD2-CG 4.46Å; F183-R212 VanDerWaalsContact CD2-NH1 3.34Å; F183-R212 HydrophobicContact CE1-CB 3.78Å; F183-R212 HydrophobicContact CE1-CG 3.33Å; F183-R212 HydrophobicContact CE2-CG 4.11Å; F183-R212 HydrophobicContact CG-CG 4.26Å; F183-R212 HydrophobicContact CZ-CB 3.73Å; F183-R212 VanDerWaalsContact CZ-CD 3.5Å; F183-R212 HydrophobicContact CZ-CG 3.53Å
184E80.3Confident78.7Confident157 Ų15763 Ų6373%0.73434%0.339SS*.Hα-helixtrans-62.6-47.1171.1-67.2176.9-175.600109.8N182 L186 A187 E188N182-E184 VanDerWaalsContact C-N 3.29Å; N182-E184 PolarHBondContact O-N 3.17Å; N182-E184 PolarHBondContact OD1-N 2.99Å; E184-L186 PolarHBondContact O-N 3.1Å; E184-A187 WeakPolarHBondContact O-CB 3.33Å; E184-A187 PolarHBondContact O-N 3.41Å; E184-A187 VanDerWaalsContact O-N 3.17Å; E184-E188 WeakPolarHBondContact O-CG 3.34Å; E184-E188 PolarHBondContact O-N 2.98Å
185R87.3Confident80.5Confident57 Ų5760.8 Ų60.822%0.21532%0.319CS..Hα-helixtrans-61-42.6174.9-177.557.856.995.17.5112.4T147 I168 N182 A187 E188 I189T147-R185 WeakPolarHBondContact O-CD 3.41Å; T147-R185 PolarHBondContact O-NH1 3.4Å; I168-R185 HydrophobicContact CG2-CG 4.23Å; N182-R185 HydrophobicContact CB-CB 3.99Å; N182-R185 VanDerWaalsContact CG-CB 3.41Å; N182-R185 WeakPolarHBondContact O-CB 3.5Å; N182-R185 PolarHBondContact O-N 3.47Å; N182-R185 WeakPolarHBondContact OD1-CB 3.38Å; N182-R185 PolarHBondContact OD1-N 3.26Å; R185-A187 VanDerWaalsContact C-N 3.32Å; R185-A187 PolarHBondContact O-N 3.3Å; R185-E188 IonicContact NE-OE2 3.78Å; R185-E188 PolarHBondContact NE-OE2 3.28Å; R185-E188 VanDerWaalsContact NE-OE2 3.14Å; R185-E188 PolarHBondContact O-N 3.35Å; R185-I189 HydrophobicContact CG-CD1 3.92Å; R185-I189 VanDerWaalsContact O-CG1 3.26Å; R185-I189 WeakPolarHBondContact O-CG1 3.39Å; R185-I189 PolarHBondContact O-N 3.41Å
186L89.5Confident82.3Confident0 Ų059.9 Ų59.90%032%0.315CS..Hα-helixtrans-59.3-44174.6173.358000111.3I166 I168 N182 F183 E184 I189 K190 L197 I218I166-L186 HydrophobicContact CD1-CD1 3.79Å; I168-L186 HydrophobicContact CD1-CB 4.19Å; I168-L186 HydrophobicContact CD1-CD2 4.26Å; N182-L186 PolarHBondContact O-N 3.09Å; N182-L186 VanDerWaalsContact O-N 3.1Å; F183-L186 HydrophobicContact CD1-CD2 4.13Å; F183-L186 PolarHBondContact O-N 3Å; E184-L186 PolarHBondContact O-N 3.1Å; L186-I189 PolarHBondContact O-N 2.94Å; L186-K190 WeakPolarHBondContact O-CB 3.3Å; L186-K190 PolarHBondContact O-N 3.3Å; L186-L197 HydrophobicContact CD1-CD1 3.74Å; L186-I218 HydrophobicContact CD1-CD1 3.72Å; L186-I218 HydrophobicContact CD1-CG1 4.07Å; L186-I218 HydrophobicContact CD2-CD1 4.48Å; L186-I218 HydrophobicContact CD2-CG1 4.02Å
187A82.9Confident84.4Confident44 Ų4452.4 Ų52.436%0.36428%0.283SS..Hα-helixtrans-64.2-44.5177.500000112.1F183 E184 R185 I189 K190 Q191F183-A187 WeakPolarHBondContact O-CB 3.46Å; F183-A187 PolarHBondContact O-N 3.36Å; E184-A187 WeakPolarHBondContact O-CB 3.33Å; E184-A187 PolarHBondContact O-N 3.41Å; E184-A187 VanDerWaalsContact O-N 3.17Å; R185-A187 VanDerWaalsContact C-N 3.32Å; R185-A187 PolarHBondContact O-N 3.3Å; A187-I189 VanDerWaalsContact C-N 3.34Å; A187-I189 PolarHBondContact O-N 3.32Å; A187-K190 PolarHBondContact O-N 2.86Å; A187-Q191 VanDerWaalsContact O-CG 3.3Å; A187-Q191 WeakPolarHBondContact O-CG 3.46Å; A187-Q191 PolarHBondContact O-N 2.93Å; A187-Q191 VanDerWaalsContact O-N 3.08Å
188E89.7Confident86.4Confident86 Ų8650.5 Ų50.540%0.40226%0.263SS..Hα-helixtrans-57.1-46.1174.9-69.8175.713600111.6V149 E184 R185 Q191V149-E188 HydrophobicContact CG1-CB 4.32Å; V149-E188 HydrophobicContact CG2-CB 3.8Å; E184-E188 WeakPolarHBondContact O-CG 3.34Å; E184-E188 PolarHBondContact O-N 2.98Å; R185-E188 IonicContact NE-OE2 3.78Å; R185-E188 PolarHBondContact NE-OE2 3.28Å; R185-E188 VanDerWaalsContact NE-OE2 3.14Å; R185-E188 PolarHBondContact O-N 3.35Å; E188-Q191 PolarHBondContact O-N 2.94Å
189I94.2Very high88.1Confident0 Ų046.7 Ų46.70%024%0.24CC..Hα-helixtrans-66.6-46.1179.1-66.9171.3000110.4T147 V149 V152 I166 R185 L186 A187 Q191 I192 T193 L197T147-I189 HydrophobicContact CG2-CD1 3.82Å; V149-I189 HydrophobicContact CG2-CG1 4.21Å; V152-I189 HydrophobicContact CG1-CG2 4.29Å; V152-I189 HydrophobicContact CG2-CD1 4.39Å; V152-I189 HydrophobicContact CG2-CG1 4.17Å; V152-I189 HydrophobicContact CG2-CG2 4.21Å; I166-I189 HydrophobicContact CB-CD1 4.49Å; I166-I189 HydrophobicContact CD1-CD1 4.06Å; I166-I189 HydrophobicContact CG2-CD1 4.32Å; R185-I189 HydrophobicContact CG-CD1 3.92Å; R185-I189 VanDerWaalsContact O-CG1 3.26Å; R185-I189 WeakPolarHBondContact O-CG1 3.39Å; R185-I189 PolarHBondContact O-N 3.41Å; L186-I189 PolarHBondContact O-N 2.94Å; A187-I189 VanDerWaalsContact C-N 3.34Å; A187-I189 PolarHBondContact O-N 3.32Å; I189-Q191 PolarHBondContact O-N 3.11Å; I189-I192 WeakPolarHBondContact O-CG1 3.49Å; I189-I192 PolarHBondContact O-N 3.04Å; I189-I192 VanDerWaalsContact O-N 3.11Å; I189-T193 HydrophobicContact CG2-CG2 4.37Å; I189-T193 PolarHBondContact O-N 3.41Å; I189-L197 HydrophobicContact CG2-CD1 3.83Å; I189-L197 HydrophobicContact CG2-CD2 3.76Å; I189-L197 HydrophobicContact CG2-CG 4.47Å
190K88.4Confident89.4Confident51 Ų5146.6 Ų46.622%0.22224%0.239CC..Hα-helixtrans-63.6-28.3-177.9-179.158.8-157.8140.70112.8L186 A187 I192 T193 D194 L197L186-K190 WeakPolarHBondContact O-CB 3.3Å; L186-K190 PolarHBondContact O-N 3.3Å; A187-K190 PolarHBondContact O-N 2.86Å; K190-I192 VanDerWaalsContact C-N 3.31Å; K190-I192 PolarHBondContact O-N 2.97Å; K190-T193 PolarHBondContact NZ-O 2.89Å; K190-T193 VanDerWaalsContact NZ-O 3.08Å; K190-D194 IonicContact NZ-OD1 3.91Å; K190-L197 HydrophobicContact CB-CD1 4.07Å; K190-L197 HydrophobicContact CD-CD1 4.29Å
191Q90.1Very high90.2Very high164 Ų16441.7 Ų41.777%0.76621%0.21SC*.Hα-helixtrans-69.8-24176.5-76.7175.46.600114.1A187 E188 I189A187-Q191 VanDerWaalsContact O-CG 3.3Å; A187-Q191 WeakPolarHBondContact O-CG 3.46Å; A187-Q191 PolarHBondContact O-N 2.93Å; A187-Q191 VanDerWaalsContact O-N 3.08Å; E188-Q191 PolarHBondContact O-N 2.94Å; I189-Q191 PolarHBondContact O-N 3.11Å
192I94.2Very high90.5Very high54 Ų5441.1 Ų41.128%0.27721%0.207SC..Hα-helixtrans-104.3-2.3-174.162.5164.5000113.7V149 V152 Q153 I189 K190V149-I192 HydrophobicContact CG1-CD1 3.55Å; V149-I192 HydrophobicContact CG1-CG1 4.47Å; V149-I192 VanDerWaalsContact O-CD1 3.3Å; V149-I192 WeakPolarHBondContact O-CD1 3.29Å; V152-I192 HydrophobicContact CB-CD1 3.93Å; V152-I192 HydrophobicContact CG1-CD1 4.12Å; Q153-I192 HydrophobicContact CG-CB 4.48Å; Q153-I192 HydrophobicContact CG-CD1 4.19Å; I189-I192 WeakPolarHBondContact O-CG1 3.49Å; I189-I192 PolarHBondContact O-N 3.04Å; I189-I192 VanDerWaalsContact O-N 3.11Å; K190-I192 VanDerWaalsContact C-N 3.31Å; K190-I192 PolarHBondContact O-N 2.97Å
193T94.7Very high90.4Very high16 Ų1639.3 Ų39.310%0.09820%0.198CC..  trans-149.3144.7179.7-171.50000114.6V152 I156 I189 K190 V195 L197V152-T193 HydrophobicContact CG1-CG2 4.23Å; I156-T193 HydrophobicContact CD1-CG2 4.1Å; I156-T193 WeakPolarHBondContact CD1-OG1 3.48Å; I189-T193 HydrophobicContact CG2-CG2 4.37Å; I189-T193 PolarHBondContact O-N 3.41Å; K190-T193 PolarHBondContact NZ-O 2.89Å; K190-T193 VanDerWaalsContact NZ-O 3.08Å; T193-V195 WeakPolarHBondContact OG1-CB 3.47Å; T193-V195 PolarHBondContact OG1-N 3.16Å; T193-L197 HydrophobicContact CG2-CD2 4.04Å
194D93.5Very high90.3Very high138 Ų13840.1 Ų40.174%0.73821%0.206SC*.  trans-94.8-5.4169-71.4-40.2000113.1K190 P196K190-D194 IonicContact NZ-OD1 3.91Å; D194-P196 WeakPolarHBondContact O-CD 3.4Å
195V97.9Very high90Very high23 Ų2332.7 Ų32.714%0.13917%0.172CC..SBendtrans-61.7127.9173.71750000108.9I156 L164 T193 L197I156-V195 HydrophobicContact CD1-CB 4Å; I156-V195 HydrophobicContact CD1-CG2 3.86Å; I156-V195 HydrophobicContact CG1-CG2 4.29Å; I156-V195 HydrophobicContact CG2-CG2 3.76Å; L164-V195 HydrophobicContact CB-CG1 4.24Å; T193-V195 WeakPolarHBondContact OG1-CB 3.47Å; T193-V195 PolarHBondContact OG1-N 3.16Å; V195-L197 PolarHBondContact O-N 2.87Å
196P98.5Very high89.3Confident3 Ų331.7 Ų31.72%0.01918%0.179CC..PPolyproline II helixtrans-53.3125.6175.5-27.333.6000112.4L2 L3 D162 S163 L164 D194 A219L2-P196 HydrophobicContact CB-CB 3.75Å; L2-P196 HydrophobicContact CB-CG 3.94Å; L3-P196 HydrophobicContact CD2-CG 3.81Å; L3-P196 HydrophobicContact CG-CG 4.32Å; D162-P196 WeakPolarHBondContact O-CD 3.32Å; S163-P196 CarbonylContact C-O 3.59Å; S163-P196 VanDerWaalsContact CA-O 3.3Å; S163-P196 WeakPolarHBondContact CA-O 3.28Å; S163-P196 WeakPolarHBondContact CB-O 3.4Å; L164-P196 PolarHBondContact N-O 3.03Å; D194-P196 WeakPolarHBondContact O-CD 3.4Å; P196-A219 HydrophobicContact CB-CB 3.81Å
197L98.5Very high88.5Confident0 Ų034.5 Ų34.50%020%0.199CC..EExtended strand (participates in β ladder)trans-88.9145.1179-56.6177.7000110.6L164 I166 L186 I189 K190 T193 V195 I218 A219 K220L164-L197 HydrophobicContact CB-CD2 4.4Å; L164-L197 CarbonylContact O-C 3.54Å; L164-L197 WeakPolarHBondContact O-CA 3.46Å; I166-L197 HydrophobicContact CD1-CD1 4.3Å; I166-L197 HydrophobicContact CG2-CD2 4.32Å; L186-L197 HydrophobicContact CD1-CD1 3.74Å; I189-L197 HydrophobicContact CG2-CD1 3.83Å; I189-L197 HydrophobicContact CG2-CD2 3.76Å; I189-L197 HydrophobicContact CG2-CG 4.47Å; K190-L197 HydrophobicContact CB-CD1 4.07Å; K190-L197 HydrophobicContact CD-CD1 4.29Å; T193-L197 HydrophobicContact CG2-CD2 4.04Å; V195-L197 PolarHBondContact O-N 2.87Å; L197-I218 HydrophobicContact CB-CD1 3.81Å; L197-A219 PolarHBondContact O-N 2.69Å; L197-K220 PolarHBondContact O-N 2.98Å
198V98.5Very high87.7Confident0 Ų034.5 Ų34.50%020%0.199CC..EExtended strand (participates in β ladder)trans-123.4137.5-176.2-1790000110.4E124 L164 A165 I166 K220E124-V198 HydrophobicContact CG-CG2 4.32Å; E124-V198 WeakPolarHBondContact OE1-CG1 3.31Å; L164-V198 PolarHBondContact O-N 2.95Å; A165-V198 WeakPolarHBondContact CA-O 3.5Å; A165-V198 HydrophobicContact CB-CB 4.18Å; A165-V198 HydrophobicContact CB-CG1 4.47Å; I166-V198 PolarHBondContact N-O 3.11Å; I166-V198 VanDerWaalsContact N-O 3.1Å; V198-K220 WeakPolarHBondContact CA-O 3.3Å; V198-K220 HydrophobicContact CB-CB 4.27Å; V198-K220 HydrophobicContact CB-CD 4.44Å; V198-K220 HydrophobicContact CG1-CB 3.88Å; V198-K220 HydrophobicContact CG1-CD 3.62Å; V198-K220 HydrophobicContact CG1-CG 3.82Å; V198-K220 HydrophobicContact CG2-CB 3.88Å; V198-K220 HydrophobicContact CG2-CD 4.04Å; V198-K220 HydrophobicContact CG2-CG 4.49Å
199L95.8Very high86.9Confident0 Ų031.9 Ų31.90%019%0.187CC..EExtended strand (participates in β ladder)trans-106.7114.7173.4-171.979000110I168 T170 L210 C213 I218 K220 I221 N222I168-L199 HydrophobicContact CD1-CD1 3.88Å; I168-L199 HydrophobicContact CG1-CD1 3.82Å; T170-L199 HydrophobicContact CG2-CD1 3.81Å; T170-L199 HydrophobicContact CG2-CD2 4.17Å; T170-L199 HydrophobicContact CG2-CG 4.04Å; L199-L210 HydrophobicContact CD2-CD2 4.06Å; L199-C213 HydrophobicContact CD2-CB 4.01Å; L199-I218 HydrophobicContact CB-CD1 4.24Å; L199-I218 HydrophobicContact CB-CG1 4.21Å; L199-I218 HydrophobicContact CB-CG2 3.74Å; L199-K220 PolarHBondContact N-O 3.38Å; L199-I221 HydrophobicContact CB-CG1 4.34Å; L199-I221 HydrophobicContact CD2-CG2 4.36Å; L199-N222 PolarHBondContact O-N 3.06Å
200H92.8Very high86.3Confident1 Ų132.9 Ų32.91%0.00519%0.193CC..  trans-90.7161.1166.4-80.4-93.7000111.7D74 H75 M94 E124 V130 T170 G202 N222D74-H200 IonicContact OD1-CE1 3.95Å; D74-H200 PolarHBondContact OD1-CE1 3Å; H75-H200 AromaticContact CE1-ND1 3.96Å; H75-H200 AromaticContact NE2-CE1 3.67Å; H75-H200 AromaticContact NE2-ND1 3.36Å; H75-H200 PolarHBondContact NE2-ND1 2.93Å; M94-H200 WeakPolarHBondContact CE-NE2 3.29Å; M94-H200 PolarHBondContact SD-CE1 2.91Å; M94-H200 PolarHBondContact SD-NE2 3.2Å; M94-H200 VanDerWaalsContact SD-NE2 3.42Å; E124-H200 IonicContact OE1-CD2 2.79Å; E124-H200 IonicContact OE1-CE1 3.58Å; E124-H200 IonicContact OE1-NE2 3.14Å; E124-H200 PolarHBondContact OE1-NE2 3.48Å; V130-H200 HydrophobicContact CB-CB 4.47Å; V130-H200 HydrophobicContact CG1-CB 4.49Å; V130-H200 HydrophobicContact CG2-CB 4.11Å; T170-H200 WeakPolarHBondContact CB-O 3.4Å; T170-H200 WeakPolarHBondContact CG2-O 3.34Å; T170-H200 PolarHBondContact OG1-O 3.03Å; H200-G202 PolarHBondContact O-N 2.84Å; H200-N222 VanDerWaalsContact CE1-CG 3.48Å; H200-N222 PolarHBondContact CE1-ND2 3.09Å; H200-N222 PolarHBondContact ND1-ND2 3.13Å
201G85.5Confident85.8Confident4 Ų432 Ų324%0.04119%0.191CC..  trans65.333.6-177.600000114.6T170 A171 S203T170-G201 WeakPolarHBondContact CB-O 3.47Å; T170-G201 WeakPolarHBondContact CG2-O 3.32Å; A171-G201 WeakPolarHBondContact O-CA 3.43Å; G201-S203 PolarHBondContact O-N 3.01Å
202G83.8Confident85.1Confident0 Ų029.1 Ų29.10%017%0.173CC..  trans-65.4-24.718000000114H200 S204 S205 N222H200-G202 PolarHBondContact O-N 2.84Å; G202-S204 PolarHBondContact O-N 3.4Å; G202-S205 WeakPolarHBondContact O-CB 3.01Å; G202-S205 PolarHBondContact O-N 2.9Å; G202-S205 VanDerWaalsContact O-N 3.12Å; G202-S205 PolarHBondContact O-OG 3.07Å; G202-S205 VanDerWaalsContact O-OG 3.06Å; G202-N222 WeakPolarHBondContact CA-O 3.41Å; G202-N222 PolarHBondContact N-O 3.22Å
203S82.2Confident84.6Confident6 Ų626.5 Ų26.54%0.04216%0.159CC..THydrogen-bonded Turntrans-53.5139.8177.9-47.30000111.8Y175 G201 S205 F224 T225 D226Y175-S203 PolarHBondContact OH-O 3.3Å; Y175-S203 VanDerWaalsContact OH-O 3.09Å; G201-S203 PolarHBondContact O-N 3.01Å; S203-S205 PolarHBondContact O-N 2.99Å; S203-F224 PolarHBondContact OG-N 3.19Å; S203-F224 VanDerWaalsContact OG-N 3.11Å; S203-T225 PolarHBondContact OG-N 3.24Å; S203-D226 WeakPolarHBondContact CA-OD2 3.3Å; S203-D226 WeakPolarHBondContact CB-OD1 3.45Å
204S77.2Confident84.1Confident39 Ų3926.3 Ų26.327%0.27316%0.159SC..THydrogen-bonded Turntrans61.510-179.6-57.30000115.5G202 G206 D226G202-S204 PolarHBondContact O-N 3.4Å; S204-G206 VanDerWaalsContact C-N 3.32Å; S204-D226 PolarHBondContact N-OD1 2.96Å; S204-D226 PolarHBondContact N-OD2 3.36Å; S204-D226 PolarHBondContact OG-OD1 3.39Å
205S75.8Confident83.4Confident1 Ų121.4 Ų21.41%0.00713%0.134CC..SBendtrans-74.9-23.8173.4-63.60000112.9G202 S203 N209G202-S205 WeakPolarHBondContact O-CB 3.01Å; G202-S205 PolarHBondContact O-N 2.9Å; G202-S205 VanDerWaalsContact O-N 3.12Å; G202-S205 PolarHBondContact O-OG 3.07Å; G202-S205 VanDerWaalsContact O-OG 3.06Å; S203-S205 PolarHBondContact O-N 2.99Å; S205-N209 VanDerWaalsContact O-CB 3.27Å; S205-N209 WeakPolarHBondContact O-CB 3.33Å; S205-N209 PolarHBondContact O-ND2 3.15Å
206G72.2Confident82.6Confident36 Ų3621.9 Ų21.937%0.37114%0.138SC..  trans83.2149.4-17600000113S204 A208 N209 L210S204-G206 VanDerWaalsContact C-N 3.32Å; G206-A208 VanDerWaalsContact C-N 3.28Å; G206-A208 PolarHBondContact O-N 3.08Å; G206-N209 PolarHBondContact O-N 2.96Å; G206-L210 WeakPolarHBondContact O-CG 3.42Å; G206-L210 PolarHBondContact O-N 3.29Å; G206-L210 VanDerWaalsContact O-N 3.07Å
207S71.6Confident81.9Confident59 Ų5922 Ų2241%0.41314%0.141SC..Hα-helixtrans-54.6-41.9-174.657.30000112.9N209 L210 N211S207-N209 PolarHBondContact O-N 3.12Å; S207-L210 PolarHBondContact O-N 2.98Å; S207-N211 VanDerWaalsContact O-CB 3.31Å; S207-N211 WeakPolarHBondContact O-CB 3.4Å; S207-N211 PolarHBondContact O-N 3.04Å
208A65.8Low81.7Confident44 Ų4422 Ų2236%0.36414%0.141SC..Hα-helixtrans-63-42.9-178.900000112.9G206 R212 E296G206-A208 VanDerWaalsContact C-N 3.28Å; G206-A208 PolarHBondContact O-N 3.08Å; A208-R212 WeakPolarHBondContact O-CB 3.33Å; A208-R212 PolarHBondContact O-N 2.88Å; A208-E296 HydrophobicContact CB-CB 4.17Å; A208-E296 HydrophobicContact CB-CG 4.41Å
209N73Confident81.6Confident30 Ų3022 Ų2216%0.1614%0.141CC..Hα-helixtrans-68.5-43.5176.3-88.2-25.4000111.7P179 L181 S205 G206 S207 N211 R212 C213P179-N209 PolarHBondContact O-ND2 2.92Å; L181-N209 HydrophobicContact CD1-CB 3.76Å; S205-N209 VanDerWaalsContact O-CB 3.27Å; S205-N209 WeakPolarHBondContact O-CB 3.33Å; S205-N209 PolarHBondContact O-ND2 3.15Å; G206-N209 PolarHBondContact O-N 2.96Å; S207-N209 PolarHBondContact O-N 3.12Å; N209-N211 VanDerWaalsContact C-N 3.35Å; N209-R212 PolarHBondContact O-N 3.45Å; N209-C213 PolarHBondContact O-N 3.29Å; N209-C213 PolarHBondContact O-SG 3.03Å; N209-C213 VanDerWaalsContact O-SG 3.41Å
210L82.7Confident81.7Confident21 Ų2122 Ų2211%0.1114%0.141CC..Hα-helixtrans-63.2-43179.7-66.6-175.2000111.5L199 G206 S207 C213 A214 I221 I223L199-L210 HydrophobicContact CD2-CD2 4.06Å; G206-L210 WeakPolarHBondContact O-CG 3.42Å; G206-L210 PolarHBondContact O-N 3.29Å; G206-L210 VanDerWaalsContact O-N 3.07Å; S207-L210 PolarHBondContact O-N 2.98Å; L210-C213 WeakPolarHBondContact O-CB 2.95Å; L210-C213 PolarHBondContact O-N 2.93Å; L210-A214 PolarHBondContact O-N 3.28Å; L210-I221 HydrophobicContact CB-CD1 4.32Å; L210-I221 HydrophobicContact CD2-CG2 3.78Å; L210-I221 VanDerWaalsContact O-CD1 3.3Å; L210-I221 WeakPolarHBondContact O-CD1 3.29Å; L210-I223 HydrophobicContact CD1-CD1 3.73Å; L210-I223 HydrophobicContact CD1-CG1 4.44Å
211N77Confident81.8Confident34 Ų3422.5 Ų22.518%0.18214%0.143CC..Hα-helixtrans-65.6-43.3175-166.6-37.1000111.2S207 N209 C213 A214 T215 S264 P295 E296S207-N211 VanDerWaalsContact O-CB 3.31Å; S207-N211 WeakPolarHBondContact O-CB 3.4Å; S207-N211 PolarHBondContact O-N 3.04Å; N209-N211 VanDerWaalsContact C-N 3.35Å; N211-C213 VanDerWaalsContact C-N 3.29Å; N211-C213 PolarHBondContact O-N 2.95Å; N211-A214 WeakPolarHBondContact O-CB 3.39Å; N211-A214 PolarHBondContact O-N 3.3Å; N211-T215 PolarHBondContact O-N 3.17Å; N211-T215 PolarHBondContact O-OG1 3.03Å; N211-T215 WeakPolarHBondContact OD1-CG2 3.39Å; N211-S264 PolarHBondContact ND2-OG 3.07Å; N211-S264 VanDerWaalsContact ND2-OG 3.12Å; N211-P295 PolarHBondContact ND2-O 3.42Å; N211-P295 VanDerWaalsContact OD1-C 3.32Å; N211-P295 PolarHBondContact OD1-O 2.85Å; N211-E296 HydrophobicContact CB-CB 4.29Å
212R76Confident82.3Confident102 Ų10222.8 Ų22.839%0.38514%0.144SC..Hα-helixtrans-55.6-42.6172.1-171.2163.9176.8-164.8-0.6113.1F183 A208 N209 T215 S216 P295F183-R212 HydrophobicContact CD1-CG 3.7Å; F183-R212 HydrophobicContact CD2-CG 4.46Å; F183-R212 VanDerWaalsContact CD2-NH1 3.34Å; F183-R212 HydrophobicContact CE1-CB 3.78Å; F183-R212 HydrophobicContact CE1-CG 3.33Å; F183-R212 HydrophobicContact CE2-CG 4.11Å; F183-R212 HydrophobicContact CG-CG 4.26Å; F183-R212 HydrophobicContact CZ-CB 3.73Å; F183-R212 VanDerWaalsContact CZ-CD 3.5Å; F183-R212 HydrophobicContact CZ-CG 3.53Å; A208-R212 WeakPolarHBondContact O-CB 3.33Å; A208-R212 PolarHBondContact O-N 2.88Å; N209-R212 PolarHBondContact O-N 3.45Å; R212-T215 PolarHBondContact O-OG1 3.48Å; R212-S216 WeakPolarHBondContact O-CB 3.12Å; R212-S216 PolarHBondContact O-N 3.05Å; R212-S216 PolarHBondContact O-OG 2.85Å; R212-P295 VanDerWaalsContact CA-CG 3.48Å; R212-P295 HydrophobicContact CB-CB 3.99Å; R212-P295 HydrophobicContact CB-CG 3.34Å; R212-P295 HydrophobicContact CG-CB 4.2Å; R212-P295 HydrophobicContact CG-CG 3.5Å; R212-P295 VanDerWaalsContact CG-CG 3.5Å
213C83.9Confident82.6Confident0 Ų023 Ų230%015%0.145CC..Hα-helixtrans-58.3-50.5173.7-77.90000111.2L199 N209 L210 N211 S216 G217 I218 I221L199-C213 HydrophobicContact CD2-CB 4.01Å; N209-C213 PolarHBondContact O-N 3.29Å; N209-C213 PolarHBondContact O-SG 3.03Å; N209-C213 VanDerWaalsContact O-SG 3.41Å; L210-C213 WeakPolarHBondContact O-CB 2.95Å; L210-C213 PolarHBondContact O-N 2.93Å; N211-C213 VanDerWaalsContact C-N 3.29Å; N211-C213 PolarHBondContact O-N 2.95Å; C213-S216 PolarHBondContact O-N 3.38Å; C213-G217 PolarHBondContact O-N 2.84Å; C213-I218 HydrophobicContact CB-CB 4.12Å; C213-I218 HydrophobicContact CB-CG1 3.81Å; C213-I218 VanDerWaalsContact O-CB 3.26Å; C213-I218 WeakPolarHBondContact O-CB 3.35Å; C213-I218 WeakPolarHBondContact O-CG1 3.33Å; C213-I218 PolarHBondContact O-N 2.69Å; C213-I221 HydrophobicContact CB-CD1 4.41Å
214A84.5Confident83.1Confident11 Ų1124.8 Ų24.89%0.09115%0.152CC..Hα-helixtrans-56.9-53-179.100000112.5A11 L210 N211 S216 G217 I218 I221A11-A214 HydrophobicContact CB-CB 3.53Å; L210-A214 PolarHBondContact O-N 3.28Å; N211-A214 WeakPolarHBondContact O-CB 3.39Å; N211-A214 PolarHBondContact O-N 3.3Å; A214-S216 VanDerWaalsContact C-N 3.29Å; A214-S216 PolarHBondContact O-N 3.09Å; A214-G217 PolarHBondContact O-N 3.05Å; A214-I218 WeakPolarHBondContact CA-O 3.2Å; A214-I221 HydrophobicContact CB-CD1 4.28Å
215T78.6Confident83.6Confident35 Ų3524 Ų2422%0.21515%0.146CC..Hα-helixtrans-74-18.6-178.6540000113.3N211 R212 P295 K317N211-T215 PolarHBondContact O-N 3.17Å; N211-T215 PolarHBondContact O-OG1 3.03Å; N211-T215 WeakPolarHBondContact OD1-CG2 3.39Å; R212-T215 PolarHBondContact O-OG1 3.48Å; T215-P295 HydrophobicContact CG2-CB 4.37Å; T215-P295 WeakPolarHBondContact OG1-CB 3.39Å; T215-K317 PolarHBondContact O-NZ 3.46Å
216S80.1Confident84.1Confident33 Ų3325.9 Ų25.923%0.23116%0.156CC..THydrogen-bonded Turntrans-901.7175-57.30000113.8R212 C213 A214R212-S216 WeakPolarHBondContact O-CB 3.12Å; R212-S216 PolarHBondContact O-N 3.05Å; R212-S216 PolarHBondContact O-OG 2.85Å; C213-S216 PolarHBondContact O-N 3.38Å; A214-S216 VanDerWaalsContact C-N 3.29Å; A214-S216 PolarHBondContact O-N 3.09Å
217G84.8Confident85.1Confident7 Ų724.2 Ų24.27%0.07214%0.138CC..THydrogen-bonded Turntrans121.1-1168.600000116C213 A214C213-G217 PolarHBondContact O-N 2.84Å; A214-G217 PolarHBondContact O-N 3.05Å
218I93.9Very high86.1Confident0 Ų024.3 Ų24.30%013%0.134CC..EExtended strand (participates in β ladder)trans-69.8128.8167.9-62.1-60.1000109.1A11 I166 L186 L197 L199 C213 A214 K220 I221A11-I218 WeakPolarHBondContact CB-O 3.13Å; I166-I218 HydrophobicContact CD1-CD1 4.07Å; I166-I218 HydrophobicContact CG1-CD1 4.22Å; L186-I218 HydrophobicContact CD1-CD1 3.72Å; L186-I218 HydrophobicContact CD1-CG1 4.07Å; L186-I218 HydrophobicContact CD2-CD1 4.48Å; L186-I218 HydrophobicContact CD2-CG1 4.02Å; L197-I218 HydrophobicContact CB-CD1 3.81Å; L199-I218 HydrophobicContact CB-CD1 4.24Å; L199-I218 HydrophobicContact CB-CG1 4.21Å; L199-I218 HydrophobicContact CB-CG2 3.74Å; C213-I218 HydrophobicContact CB-CB 4.12Å; C213-I218 HydrophobicContact CB-CG1 3.81Å; C213-I218 VanDerWaalsContact O-CB 3.26Å; C213-I218 WeakPolarHBondContact O-CB 3.35Å; C213-I218 WeakPolarHBondContact O-CG1 3.33Å; C213-I218 PolarHBondContact O-N 2.69Å; A214-I218 WeakPolarHBondContact CA-O 3.2Å; I218-K220 WeakPolarHBondContact CG2-O 3.19Å; I218-I221 HydrophobicContact CG2-CG1 3.7Å
219A95.8Very high87.2Confident0 Ų025.7 Ų25.70%014%0.135CC..EExtended strand (participates in β ladder)trans-101.7-19.1-179.100000113.5L2 A5 A11 V12 P196 L197L2-A219 HydrophobicContact CB-CB 4.29Å; L2-A219 HydrophobicContact CD2-CB 4.49Å; L2-A219 WeakPolarHBondContact CD2-O 3.32Å; A5-A219 HydrophobicContact CB-CB 4.11Å; A11-A219 CarbonylContact C-O 3.59Å; A11-A219 WeakPolarHBondContact CA-O 3.44Å; V12-A219 PolarHBondContact N-O 3.12Å; P196-A219 HydrophobicContact CB-CB 3.81Å; L197-A219 PolarHBondContact O-N 2.69Å
220K98Very high87.8Confident0 Ų025.6 Ų25.60%014%0.138CC..EExtended strand (participates in β ladder)trans-137.6133.2177.9175.7-172.8173.9-1150109.7L2 V12 A14 M38 H72 D74 E124 L197 V198 L199 I218 N222L2-K220 HydrophobicContact CD1-CB 4.22Å; L2-K220 HydrophobicContact CD1-CD 4.4Å; L2-K220 HydrophobicContact CD2-CB 3.88Å; V12-K220 WeakPolarHBondContact O-CA 3.19Å; A14-K220 HydrophobicContact CB-CD 4.31Å; A14-K220 HydrophobicContact CB-CG 3.9Å; M38-K220 HydrophobicContact CE-CD 3.96Å; M38-K220 HydrophobicContact SD-CB 4.48Å; M38-K220 HydrophobicContact SD-CD 3.51Å; M38-K220 VanDerWaalsContact SD-CD 3.51Å; M38-K220 HydrophobicContact SD-CG 3.85Å; H72-K220 PolarHBondContact NE2-NZ 3.03Å; D74-K220 IonicContact OD1-NZ 3.92Å; E124-K220 VanDerWaalsContact CD-NZ 3.25Å; E124-K220 IonicContact OE1-NZ 3.51Å; E124-K220 PolarHBondContact OE1-NZ 3.06Å; E124-K220 VanDerWaalsContact OE2-CD 3.22Å; E124-K220 WeakPolarHBondContact OE2-CD 3.01Å; E124-K220 WeakPolarHBondContact OE2-CE 3.49Å; E124-K220 IonicContact OE2-NZ 2.65Å; E124-K220 PolarHBondContact OE2-NZ 2.9Å; L197-K220 PolarHBondContact O-N 2.98Å; V198-K220 WeakPolarHBondContact CA-O 3.3Å; V198-K220 HydrophobicContact CB-CB 4.27Å; V198-K220 HydrophobicContact CB-CD 4.44Å; V198-K220 HydrophobicContact CG1-CB 3.88Å; V198-K220 HydrophobicContact CG1-CD 3.62Å; V198-K220 HydrophobicContact CG1-CG 3.82Å; V198-K220 HydrophobicContact CG2-CB 3.88Å; V198-K220 HydrophobicContact CG2-CD 4.04Å; V198-K220 HydrophobicContact CG2-CG 4.49Å; L199-K220 PolarHBondContact N-O 3.38Å; I218-K220 WeakPolarHBondContact CG2-O 3.19Å; K220-N222 WeakPolarHBondContact CE-OD1 3.25Å; K220-N222 PolarHBondContact NZ-ND2 3.49Å; K220-N222 PolarHBondContact NZ-OD1 3.06Å
221I96.1Very high88.3Confident11 Ų1124.9 Ų24.96%0.05614%0.136CC..EExtended strand (participates in β ladder)trans-123.2116.1176.6-63.8173.4000108.7A11 V12 A14 L199 L210 C213 A214 I218 I223A11-I221 HydrophobicContact CB-CD1 3.65Å; A11-I221 HydrophobicContact CB-CG1 3.75Å; V12-I221 PolarHBondContact O-N 2.99Å; A14-I221 PolarHBondContact N-O 2.96Å; L199-I221 HydrophobicContact CB-CG1 4.34Å; L199-I221 HydrophobicContact CD2-CG2 4.36Å; L210-I221 HydrophobicContact CB-CD1 4.32Å; L210-I221 HydrophobicContact CD2-CG2 3.78Å; L210-I221 VanDerWaalsContact O-CD1 3.3Å; L210-I221 WeakPolarHBondContact O-CD1 3.29Å; C213-I221 HydrophobicContact CB-CD1 4.41Å; A214-I221 HydrophobicContact CB-CD1 4.28Å; I218-I221 HydrophobicContact CG2-CG1 3.7Å; I221-I223 HydrophobicContact CG2-CD1 4.04Å; I221-I223 HydrophobicContact CG2-CG1 3.77Å
222N94.5Very high89.1Confident9 Ų930.3 Ų30.35%0.04816%0.155CC..EExtended strand (participates in β ladder)trans-81.7123.6173.9-72.254000110.5A14 D74 L199 H200 G202 K220A14-N222 WeakPolarHBondContact O-CA 3.43Å; D74-N222 VanDerWaalsContact CG-ND2 3.33Å; D74-N222 PolarHBondContact OD1-ND2 3.49Å; D74-N222 PolarHBondContact OD2-ND2 3.21Å; D74-N222 VanDerWaalsContact OD2-ND2 3.13Å; L199-N222 PolarHBondContact O-N 3.06Å; H200-N222 VanDerWaalsContact CE1-CG 3.48Å; H200-N222 PolarHBondContact CE1-ND2 3.09Å; H200-N222 PolarHBondContact ND1-ND2 3.13Å; G202-N222 WeakPolarHBondContact CA-O 3.41Å; G202-N222 PolarHBondContact N-O 3.22Å; K220-N222 WeakPolarHBondContact CE-OD1 3.25Å; K220-N222 PolarHBondContact NZ-ND2 3.49Å; K220-N222 PolarHBondContact NZ-OD1 3.06Å
223I91.5Very high89.6Confident5 Ų530 Ų303%0.02616%0.157CC..EExtended strand (participates in β ladder)trans-132.1132.1177.2-51.1173.4000107.5A14 L210 I221 D226 F227 C261A14-I223 PolarHBondContact O-N 3.29Å; L210-I223 HydrophobicContact CD1-CD1 3.73Å; L210-I223 HydrophobicContact CD1-CG1 4.44Å; I221-I223 HydrophobicContact CG2-CD1 4.04Å; I221-I223 HydrophobicContact CG2-CG1 3.77Å; I223-D226 HydrophobicContact CG2-CB 3.99Å; I223-F227 HydrophobicContact CB-CE2 3.84Å; I223-F227 HydrophobicContact CG2-CD2 4.17Å; I223-F227 HydrophobicContact CG2-CE2 3.74Å; I223-F227 HydrophobicContact CG2-CZ 4.46Å; I223-F227 WeakPolarHBondContact O-CE2 3.43Å; I223-C261 VanDerWaalsContact CD1-SG 3.55Å
224F91.8Very high89.8Confident44 Ų4432 Ų3219%0.19317%0.166CC..  trans-143-59.2-177.3176.7-120.7000112.3N16 I18 H45 S203 D226 F227 L228N16-F224 HydrophobicContact CB-CB 4.31Å; N16-F224 HydrophobicContact CB-CD2 3.59Å; N16-F224 HydrophobicContact CB-CE2 4.12Å; N16-F224 HydrophobicContact CB-CG 4.07Å; N16-F224 WeakPolarHBondContact O-CD2 3.2Å; I18-F224 HydrophobicContact CG2-CE2 3.9Å; I18-F224 HydrophobicContact CG2-CZ 3.91Å; H45-F224 AromaticContact CE1-CE1 3.72Å; H45-F224 AromaticContact CE1-CE2 3.67Å; H45-F224 AromaticContact CE1-CZ 3.29Å; H45-F224 WeakPolarHBondContact CE1-CZ 3.49Å; H45-F224 AromaticContact NE2-CE1 3.58Å; H45-F224 AromaticContact NE2-CZ 3.49Å; H45-F224 WeakPolarHBondContact NE2-CZ 3.3Å; S203-F224 PolarHBondContact OG-N 3.19Å; S203-F224 VanDerWaalsContact OG-N 3.11Å; F224-D226 PolarHBondContact O-N 2.94Å; F224-F227 WeakPolarHBondContact O-CB 2.96Å; F224-F227 PolarHBondContact O-N 3.17Å; F224-L228 HydrophobicContact CE1-CD1 3.78Å; F224-L228 HydrophobicContact CE2-CD1 4.11Å; F224-L228 HydrophobicContact CE2-CD2 4.38Å; F224-L228 HydrophobicContact CE2-CG 4.19Å; F224-L228 HydrophobicContact CZ-CD1 3.52Å; F224-L228 HydrophobicContact CZ-CD2 4.49Å; F224-L228 HydrophobicContact CZ-CG 4.11Å; F224-L228 PolarHBondContact O-N 2.87Å
225T88.5Confident90.3Very high23 Ų2332.1 Ų32.114%0.14117%0.165CC..Hα-helixtrans-59.5-34.6-174.8-50.80000112.5A174 S203 F227 L228 N229A174-T225 HydrophobicContact CB-CG2 4.29Å; S203-T225 PolarHBondContact OG-N 3.24Å; T225-F227 VanDerWaalsContact C-N 3.29Å; T225-F227 PolarHBondContact O-N 3.38Å; T225-L228 PolarHBondContact O-N 2.82Å; T225-N229 WeakPolarHBondContact O-CB 3.45Å; T225-N229 VanDerWaalsContact O-CG 3.31Å; T225-N229 PolarHBondContact O-N 2.78Å
226D86.7Confident90.9Very high40 Ų4035.1 Ų35.121%0.21418%0.178CC..Hα-helixtrans-62.5-36177.9-69.2-4.2000111.9S203 S204 I223 F224 A230 T257S203-D226 WeakPolarHBondContact CA-OD2 3.3Å; S203-D226 WeakPolarHBondContact CB-OD1 3.45Å; S204-D226 PolarHBondContact N-OD1 2.96Å; S204-D226 PolarHBondContact N-OD2 3.36Å; S204-D226 PolarHBondContact OG-OD1 3.39Å; I223-D226 HydrophobicContact CG2-CB 3.99Å; F224-D226 PolarHBondContact O-N 2.94Å; D226-A230 VanDerWaalsContact O-CB 3.25Å; D226-A230 WeakPolarHBondContact O-CB 3.42Å; D226-A230 PolarHBondContact O-N 3.18Å; D226-T257 HydrophobicContact CB-CG2 4.31Å
227F92.8Very high91.3Very high1 Ų137.6 Ų37.60%0.00419%0.188CC..Hα-helixtrans-65.1-44.6175.7-66.2-69.9000112.4T15 F26 I223 F224 T225 A231 M254 T257 L258T15-F227 HydrophobicContact CG2-CE1 4.4Å; T15-F227 HydrophobicContact CG2-CE2 3.43Å; T15-F227 VanDerWaalsContact CG2-CE2 3.43Å; T15-F227 HydrophobicContact CG2-CZ 3.36Å; F26-F227 HydrophobicContact CD1-CE1 4.34Å; F26-F227 AromaticContact CE1-CD1 3.53Å; F26-F227 HydrophobicContact CE1-CD1 3.53Å; F26-F227 HydrophobicContact CE1-CD2 4.41Å; F26-F227 AromaticContact CE1-CE1 3.71Å; F26-F227 HydrophobicContact CE1-CE1 3.71Å; F26-F227 AromaticContact CE1-CG 3.92Å; F26-F227 HydrophobicContact CE1-CG 3.92Å; F26-F227 HydrophobicContact CE1-CZ 4.24Å; F26-F227 HydrophobicContact CZ-CB 4.34Å; F26-F227 HydrophobicContact CZ-CD1 4.06Å; F26-F227 HydrophobicContact CZ-CD2 4.27Å; F26-F227 HydrophobicContact CZ-CE1 4.48Å; F26-F227 AromaticContact CZ-CG 3.96Å; F26-F227 HydrophobicContact CZ-CG 3.96Å; I223-F227 HydrophobicContact CB-CE2 3.84Å; I223-F227 HydrophobicContact CG2-CD2 4.17Å; I223-F227 HydrophobicContact CG2-CE2 3.74Å; I223-F227 HydrophobicContact CG2-CZ 4.46Å; I223-F227 WeakPolarHBondContact O-CE2 3.43Å; F224-F227 WeakPolarHBondContact O-CB 2.96Å; F224-F227 PolarHBondContact O-N 3.17Å; T225-F227 VanDerWaalsContact C-N 3.29Å; T225-F227 PolarHBondContact O-N 3.38Å; F227-A231 WeakPolarHBondContact O-CB 3.47Å; F227-A231 PolarHBondContact O-N 3.2Å; F227-M254 HydrophobicContact CB-CG 4.14Å; F227-M254 HydrophobicContact CD1-CB 4.29Å; F227-M254 HydrophobicContact CD1-CG 4.46Å; F227-M254 WeakPolarHBondContact CE1-O 3.31Å; F227-T257 HydrophobicContact CD1-CG2 3.64Å; F227-T257 HydrophobicContact CE1-CG2 3.6Å; F227-T257 HydrophobicContact CG-CG2 4.32Å; F227-T257 HydrophobicContact CZ-CG2 4.24Å; F227-L258 HydrophobicContact CE1-CB 3.78Å; F227-L258 HydrophobicContact CZ-CB 4.2Å; F227-L258 HydrophobicContact CZ-CD1 4.36Å
228L92.5Very high91.4Very high60 Ų6039.3 Ų39.331%0.31421%0.206SC..Hα-helixtrans-67.3-42.2178.6-62.2-171.8000111.5I18 F224 T225 A231 Y232 M254I18-L228 HydrophobicContact CD1-CD2 3.97Å; F224-L228 HydrophobicContact CE1-CD1 3.78Å; F224-L228 HydrophobicContact CE2-CD1 4.11Å; F224-L228 HydrophobicContact CE2-CD2 4.38Å; F224-L228 HydrophobicContact CE2-CG 4.19Å; F224-L228 HydrophobicContact CZ-CD1 3.52Å; F224-L228 HydrophobicContact CZ-CD2 4.49Å; F224-L228 HydrophobicContact CZ-CG 4.11Å; F224-L228 PolarHBondContact O-N 2.87Å; T225-L228 PolarHBondContact O-N 2.82Å; L228-A231 PolarHBondContact O-N 3.34Å; L228-Y232 WeakPolarHBondContact O-CB 3.42Å; L228-Y232 PolarHBondContact O-N 2.93Å; L228-M254 HydrophobicContact CD2-CE 3.97Å
229N87.7Confident91.3Very high74 Ų7446.1 Ų46.140%0.39624%0.238SC..Hα-helixtrans-65.3-42.3178.3-73.5-15.7000111.6T225 Y232 Q233T225-N229 WeakPolarHBondContact O-CB 3.45Å; T225-N229 VanDerWaalsContact O-CG 3.31Å; T225-N229 PolarHBondContact O-N 2.78Å; N229-Y232 PolarHBondContact O-N 3.07Å; N229-Q233 VanDerWaalsContact O-CB 3.25Å; N229-Q233 WeakPolarHBondContact O-CB 3.45Å; N229-Q233 PolarHBondContact O-N 3.46Å
230A86Confident91.2Very high27 Ų2747.9 Ų47.922%0.22325%0.249CC..Hα-helixtrans-62.8-46.3176.100000111.2D226 Y232 Q233 K234 A253 T257D226-A230 VanDerWaalsContact O-CB 3.25Å; D226-A230 WeakPolarHBondContact O-CB 3.42Å; D226-A230 PolarHBondContact O-N 3.18Å; A230-Y232 PolarHBondContact O-N 3.27Å; A230-Q233 PolarHBondContact O-N 3.23Å; A230-K234 WeakPolarHBondContact O-CB 3.48Å; A230-K234 PolarHBondContact O-N 3.37Å; A230-A253 VanDerWaalsContact C-CB 3.47Å; A230-A253 HydrophobicContact CB-CB 4.09Å; A230-A253 WeakPolarHBondContact O-CB 3.42Å; A230-T257 WeakPolarHBondContact CB-OG1 3.32Å
231A94.1Very high91.1Very high7 Ų755.7 Ų55.76%0.05828%0.284CS..Hα-helixtrans-58.6-48.4175.100000111.8F227 L228 Q233 N235 A253 M254F227-A231 WeakPolarHBondContact O-CB 3.47Å; F227-A231 PolarHBondContact O-N 3.2Å; L228-A231 PolarHBondContact O-N 3.34Å; A231-Q233 PolarHBondContact O-N 3.37Å; A231-N235 PolarHBondContact O-N 2.85Å; A231-N235 VanDerWaalsContact O-N 3.17Å; A231-N235 PolarHBondContact O-ND2 2.91Å; A231-A253 HydrophobicContact CB-CB 4.48Å; A231-M254 HydrophobicContact CB-CE 3.93Å; A231-M254 HydrophobicContact CB-CG 4.28Å
232Y93.2Very high91.1Very high148 Ų14858.7 Ų58.758%0.5830%0.3SS*.Hα-helixtrans-59.9-48.1177.7179.5-103.9000111.9L228 N229 A230 N235 M236L228-Y232 WeakPolarHBondContact O-CB 3.42Å; L228-Y232 PolarHBondContact O-N 2.93Å; N229-Y232 PolarHBondContact O-N 3.07Å; A230-Y232 PolarHBondContact O-N 3.27Å; Y232-N235 WeakPolarHBondContact O-CB 3.37Å; Y232-N235 PolarHBondContact O-N 2.83Å; Y232-M236 HydrophobicContact CD1-CG 4.34Å; Y232-M236 HydrophobicContact CE1-CG 3.91Å; Y232-M236 HydrophobicContact CE2-CE 4.38Å; Y232-M236 HydrophobicContact CE2-CG 4.26Å; Y232-M236 HydrophobicContact CE2-SD 4.31Å; Y232-M236 WeakPolarHBondContact O-CG 3.23Å; Y232-M236 PolarHBondContact O-N 3.26Å
233Q86.3Confident91.2Very high95 Ų9565.1 Ų65.144%0.44432%0.324SS..Hα-helixtrans-62.5-46.6-178.9-173.259.752.100111.8N229 A230 A231 N235 M236 D237N229-Q233 VanDerWaalsContact O-CB 3.25Å; N229-Q233 WeakPolarHBondContact O-CB 3.45Å; N229-Q233 PolarHBondContact O-N 3.46Å; A230-Q233 PolarHBondContact O-N 3.23Å; A231-Q233 PolarHBondContact O-N 3.37Å; Q233-N235 PolarHBondContact O-N 3.15Å; Q233-M236 PolarHBondContact O-N 3.49Å; Q233-D237 WeakPolarHBondContact CG-OD2 3.32Å; Q233-D237 PolarHBondContact NE2-OD1 3.02Å; Q233-D237 PolarHBondContact NE2-OD2 3.33Å; Q233-D237 PolarHBondContact O-N 2.7Å
234K89.2Confident91.5Very high43 Ų4371.1 Ų71.119%0.18736%0.356CS..Hα-helixtrans-62.2-31.6178.9-167.4164.6-176.1173.60112.5A230 G238 L249 E252 A253 E256A230-K234 WeakPolarHBondContact O-CB 3.48Å; A230-K234 PolarHBondContact O-N 3.37Å; K234-G238 WeakPolarHBondContact O-CA 3.15Å; K234-G238 PolarHBondContact O-N 2.66Å; K234-L249 WeakPolarHBondContact CD-O 3.49Å; K234-L249 HydrophobicContact CG-CB 4.29Å; K234-L249 HydrophobicContact CG-CD2 4.31Å; K234-E252 HydrophobicContact CD-CB 4.43Å; K234-E252 WeakPolarHBondContact CE-OE2 3.5Å; K234-E252 VanDerWaalsContact NZ-CB 3.25Å; K234-E252 IonicContact NZ-OE2 2.84Å; K234-E252 PolarHBondContact NZ-OE2 3.46Å; K234-E252 VanDerWaalsContact NZ-OE2 3.15Å; K234-A253 HydrophobicContact CB-CB 3.77Å; K234-A253 HydrophobicContact CD-CB 3.68Å; K234-A253 HydrophobicContact CG-CB 4.34Å; K234-E256 IonicContact NZ-OE1 3.54Å; K234-E256 PolarHBondContact NZ-OE1 2.87Å; K234-E256 IonicContact NZ-OE2 3.83Å; K234-E256 PolarHBondContact NZ-OE2 3.1Å; K234-E256 VanDerWaalsContact NZ-OE2 3.16Å
235N94.9Very high91.7Very high12 Ų1271.8 Ų71.86%0.06436%0.359CS..Hα-helixtrans-71.3-40.5172.3-81.5-77.1000113.2A231 Y232 Q233 D237 Q239 P240 M246 S250A231-N235 PolarHBondContact O-N 2.85Å; A231-N235 VanDerWaalsContact O-N 3.17Å; A231-N235 PolarHBondContact O-ND2 2.91Å; Y232-N235 WeakPolarHBondContact O-CB 3.37Å; Y232-N235 PolarHBondContact O-N 2.83Å; Q233-N235 PolarHBondContact O-N 3.15Å; N235-D237 VanDerWaalsContact C-N 3.33Å; N235-Q239 PolarHBondContact O-N 3.44Å; N235-P240 WeakPolarHBondContact O-CD 3.42Å; N235-M246 PolarHBondContact ND2-O 3.34Å; N235-M246 WeakPolarHBondContact OD1-CA 3.3Å; N235-M246 WeakPolarHBondContact OD1-CB 3.46Å; N235-M246 WeakPolarHBondContact OD1-CG 3.34Å; N235-M246 PolarHBondContact OD1-O 3.04Å; N235-M246 VanDerWaalsContact OD1-O 3.13Å; N235-S250 PolarHBondContact ND2-OG 2.94Å
236M91.4Very high92.1Very high98 Ų9874.3 Ų74.348%0.48337%0.37SS..Hα-helixtrans-63.3-42.7175.7-67.6-62.493.100111.3Y232 Q233 Q239Y232-M236 HydrophobicContact CD1-CG 4.34Å; Y232-M236 HydrophobicContact CE1-CG 3.91Å; Y232-M236 HydrophobicContact CE2-CE 4.38Å; Y232-M236 HydrophobicContact CE2-CG 4.26Å; Y232-M236 HydrophobicContact CE2-SD 4.31Å; Y232-M236 WeakPolarHBondContact O-CG 3.23Å; Y232-M236 PolarHBondContact O-N 3.26Å; Q233-M236 PolarHBondContact O-N 3.49Å; M236-Q239 WeakPolarHBondContact O-CG 3.41Å
237D87.1Confident92.6Very high85 Ų8575 Ų7546%0.45537%0.372SS..Hα-helixtrans-73.4-37.4-179.9-62.6-25.7000112.3Q233 N235Q233-D237 WeakPolarHBondContact CG-OD2 3.32Å; Q233-D237 PolarHBondContact NE2-OD1 3.02Å; Q233-D237 PolarHBondContact NE2-OD2 3.33Å; Q233-D237 PolarHBondContact O-N 2.7Å; N235-D237 VanDerWaalsContact C-N 3.33Å
238G87.6Confident92.7Very high43 Ų4380.3 Ų80.344%0.44340%0.396SS..Hα-helixtrans-82.1-17-177.800000114.9K234K234-G238 WeakPolarHBondContact O-CA 3.15Å; K234-G238 PolarHBondContact O-N 2.66Å
239Q92.1Very high92.7Very high144 Ų14478.7 Ų78.767%0.67339%0.388SS*.  trans44.162.9-178.3-62.3-171.1-31.300113.2N235 M236 K241N235-Q239 PolarHBondContact O-N 3.44Å; M236-Q239 WeakPolarHBondContact O-CG 3.41Å; Q239-K241 PolarHBondContact O-N 3.19Å
240P94.2Very high93.2Very high36 Ų3676.2 Ų76.223%0.23438%0.376CS..  trans-59.1135.9-17527.7-37.1000111.3N235 D242 E245 M246 L249N235-P240 WeakPolarHBondContact O-CD 3.42Å; P240-D242 VanDerWaalsContact C-N 3.3Å; P240-D242 PolarHBondContact O-N 3.12Å; P240-E245 HydrophobicContact CB-CB 3.85Å; P240-E245 HydrophobicContact CB-CG 3.84Å; P240-M246 HydrophobicContact CB-CB 4.02Å; P240-M246 HydrophobicContact CG-CB 3.8Å; P240-M246 HydrophobicContact CG-CG 4.29Å; P240-L249 HydrophobicContact CB-CD1 4.07Å; P240-L249 HydrophobicContact CG-CD1 4.36Å
241K94.5Very high93.7Very high165 Ų16576.9 Ų76.972%0.71738%0.376SS*.SBendtrans-76.1-19-178.676.3-149.3166.1-154.50113.4Q239 E245Q239-K241 PolarHBondContact O-N 3.19Å; K241-E245 VanDerWaalsContact CD-OE2 3.27Å; K241-E245 WeakPolarHBondContact CD-OE2 3.3Å; K241-E245 WeakPolarHBondContact CE-OE2 3.4Å; K241-E245 WeakPolarHBondContact CG-OE2 3.2Å; K241-E245 PolarHBondContact N-OE2 3.49Å; K241-E245 IonicContact NZ-OE1 2.82Å; K241-E245 IonicContact NZ-OE2 3.85Å
242D96.4Very high93.6Very high74 Ų7479.9 Ų79.940%0.39639%0.389SS..SBendtrans-153175.6-178.565.852.3000112.6P240 L244 E245 M246P240-D242 VanDerWaalsContact C-N 3.3Å; P240-D242 PolarHBondContact O-N 3.12Å; D242-L244 VanDerWaalsContact C-N 3.32Å; D242-L244 PolarHBondContact O-N 3.45Å; D242-L244 WeakPolarHBondContact OD1-CA 3.08Å; D242-L244 WeakPolarHBondContact OD1-CB 3.27Å; D242-L244 PolarHBondContact OD1-N 3.04Å; D242-E245 PolarHBondContact OD1-N 3.31Å; D242-M246 PolarHBondContact O-N 2.9Å; D242-M246 VanDerWaalsContact O-N 3.08Å
243Y97.1Very high93.5Very high143 Ų14373 Ų7356%0.56136%0.363SS*.Hα-helixtrans-65.5-31-177.6-177.7-110.3000113.9M246 K247Y243-M246 HydrophobicContact CD2-CE 3.89Å; Y243-M246 HydrophobicContact CD2-SD 4.2Å; Y243-M246 HydrophobicContact CE2-CE 4.43Å; Y243-M246 HydrophobicContact CE2-SD 4.34Å; Y243-K247 HydrophobicContact CE1-CD 3.86Å; Y243-K247 VanDerWaalsContact CE1-CE 3.4Å; Y243-K247 HydrophobicContact CE1-CG 4.26Å; Y243-K247 PolarHBondContact O-N 3.39Å; Y243-K247 VanDerWaalsContact O-N 3.07Å; Y243-K247 WeakPolarHBondContact OH-CE 3.38Å
244L96.7Very high94Very high131 Ų13169.2 Ų69.269%0.68635%0.345SS*.Hα-helixtrans-72.8-43-179-64.4177.9000110.4D242 M246 K247 Q248D242-L244 VanDerWaalsContact C-N 3.32Å; D242-L244 PolarHBondContact O-N 3.45Å; D242-L244 WeakPolarHBondContact OD1-CA 3.08Å; D242-L244 WeakPolarHBondContact OD1-CB 3.27Å; D242-L244 PolarHBondContact OD1-N 3.04Å; L244-M246 VanDerWaalsContact C-N 3.31Å; L244-M246 PolarHBondContact O-N 3.25Å; L244-K247 PolarHBondContact O-N 2.91Å; L244-Q248 PolarHBondContact O-N 2.78Å
245E96Very high94.1Very high58 Ų5868 Ų6827%0.27134%0.343SS..Hα-helixtrans-63.4-39.4174.2-169.2166.2-133.700111.1P240 K241 D242 K247 Q248 L249P240-E245 HydrophobicContact CB-CB 3.85Å; P240-E245 HydrophobicContact CB-CG 3.84Å; K241-E245 VanDerWaalsContact CD-OE2 3.27Å; K241-E245 WeakPolarHBondContact CD-OE2 3.3Å; K241-E245 WeakPolarHBondContact CE-OE2 3.4Å; K241-E245 WeakPolarHBondContact CG-OE2 3.2Å; K241-E245 PolarHBondContact N-OE2 3.49Å; K241-E245 IonicContact NZ-OE1 2.82Å; K241-E245 IonicContact NZ-OE2 3.85Å; D242-E245 PolarHBondContact OD1-N 3.31Å; E245-K247 PolarHBondContact O-N 2.63Å; E245-Q248 PolarHBondContact O-N 3.15Å; E245-L249 WeakPolarHBondContact O-CG 3.38Å; E245-L249 PolarHBondContact O-N 3.4Å
246M97.4Very high93.6Very high76 Ų7672.2 Ų72.237%0.37436%0.362SS..Hα-helixtrans-59.3-45174.5-178.9-136.1-6900112.2N235 P240 D242 Y243 L244 S250N235-M246 PolarHBondContact ND2-O 3.34Å; N235-M246 WeakPolarHBondContact OD1-CA 3.3Å; N235-M246 WeakPolarHBondContact OD1-CB 3.46Å; N235-M246 WeakPolarHBondContact OD1-CG 3.34Å; N235-M246 PolarHBondContact OD1-O 3.04Å; N235-M246 VanDerWaalsContact OD1-O 3.13Å; P240-M246 HydrophobicContact CB-CB 4.02Å; P240-M246 HydrophobicContact CG-CB 3.8Å; P240-M246 HydrophobicContact CG-CG 4.29Å; D242-M246 PolarHBondContact O-N 2.9Å; D242-M246 VanDerWaalsContact O-N 3.08Å; Y243-M246 HydrophobicContact CD2-CE 3.89Å; Y243-M246 HydrophobicContact CD2-SD 4.2Å; Y243-M246 HydrophobicContact CE2-CE 4.43Å; Y243-M246 HydrophobicContact CE2-SD 4.34Å; L244-M246 VanDerWaalsContact C-N 3.31Å; L244-M246 PolarHBondContact O-N 3.25Å; M246-S250 WeakPolarHBondContact O-CB 3.35Å; M246-S250 PolarHBondContact O-N 3.36Å; M246-S250 PolarHBondContact O-OG 2.93Å
247K97.1Very high93.4Very high55 Ų5568.9 Ų68.924%0.23935%0.348CS..Hα-helixtrans-63.2-42.3175.5-80.4-162.5166.2-130.90112.1D21 Y243 L244 E245 S250 N251D21-K247 WeakPolarHBondContact OD2-CD 3.28Å; D21-K247 IonicContact OD2-NZ 2.93Å; D21-K247 PolarHBondContact OD2-NZ 3.15Å; Y243-K247 HydrophobicContact CE1-CD 3.86Å; Y243-K247 VanDerWaalsContact CE1-CE 3.4Å; Y243-K247 HydrophobicContact CE1-CG 4.26Å; Y243-K247 PolarHBondContact O-N 3.39Å; Y243-K247 VanDerWaalsContact O-N 3.07Å; Y243-K247 WeakPolarHBondContact OH-CE 3.38Å; L244-K247 PolarHBondContact O-N 2.91Å; E245-K247 PolarHBondContact O-N 2.63Å; K247-S250 PolarHBondContact O-N 2.9Å; K247-N251 WeakPolarHBondContact O-CB 3.47Å; K247-N251 PolarHBondContact O-N 3.45Å; K247-N251 PolarHBondContact O-ND2 3.3Å
248Q95Very high93.6Very high113 Ų11364.9 Ų64.953%0.52833%0.326SS..Hα-helixtrans-60.2-51.1178.1-176.5-179.4-23.100111.1L244 E245 S250 N251 E252L244-Q248 PolarHBondContact O-N 2.78Å; E245-Q248 PolarHBondContact O-N 3.15Å; Q248-S250 VanDerWaalsContact C-N 3.29Å; Q248-S250 PolarHBondContact O-N 3.5Å; Q248-N251 PolarHBondContact O-N 3.09Å; Q248-E252 HydrophobicContact CG-CG 4.46Å; Q248-E252 WeakPolarHBondContact CG-OE1 3.37Å; Q248-E252 PolarHBondContact NE2-OE1 3.46Å; Q248-E252 WeakPolarHBondContact O-CG 3.46Å; Q248-E252 PolarHBondContact O-N 3.35Å
249L93.6Very high93.5Very high26 Ų2664.2 Ų64.214%0.13631%0.312CS..Hα-helixtrans-59.8-40.6177.9-68.8177.7000111.9K234 P240 E245 E252 A253K234-L249 WeakPolarHBondContact CD-O 3.49Å; K234-L249 HydrophobicContact CG-CB 4.29Å; K234-L249 HydrophobicContact CG-CD2 4.31Å; P240-L249 HydrophobicContact CB-CD1 4.07Å; P240-L249 HydrophobicContact CG-CD1 4.36Å; E245-L249 WeakPolarHBondContact O-CG 3.38Å; E245-L249 PolarHBondContact O-N 3.4Å; L249-E252 PolarHBondContact O-N 3.07Å; L249-A253 WeakPolarHBondContact O-CB 3.16Å; L249-A253 PolarHBondContact O-N 2.96Å
250S97.5Very high92.8Very high22 Ų2260.3 Ų60.315%0.15430%0.304CS..Hα-helixtrans-59.8-48.9176.1-550000111.8N235 M246 K247 Q248 A253 M254N235-S250 PolarHBondContact ND2-OG 2.94Å; M246-S250 WeakPolarHBondContact O-CB 3.35Å; M246-S250 PolarHBondContact O-N 3.36Å; M246-S250 PolarHBondContact O-OG 2.93Å; K247-S250 PolarHBondContact O-N 2.9Å; Q248-S250 VanDerWaalsContact C-N 3.29Å; Q248-S250 PolarHBondContact O-N 3.5Å; S250-A253 PolarHBondContact O-N 3.38Å; S250-M254 WeakPolarHBondContact O-CG 3.36Å; S250-M254 PolarHBondContact O-N 3.47Å
251N97.1Very high92.3Very high41 Ų4161.1 Ų61.122%0.21931%0.309CS..Hα-helixtrans-65.3-41-179.8-66.5-19.7000111.5T25 K247 Q248 M254 A255T25-N251 HydrophobicContact CG2-CB 4.48Å; T25-N251 VanDerWaalsContact CG2-O 3.26Å; T25-N251 WeakPolarHBondContact CG2-O 3.11Å; K247-N251 WeakPolarHBondContact O-CB 3.47Å; K247-N251 PolarHBondContact O-N 3.45Å; K247-N251 PolarHBondContact O-ND2 3.3Å; Q248-N251 PolarHBondContact O-N 3.09Å; N251-M254 PolarHBondContact O-N 3.29Å; N251-A255 WeakPolarHBondContact O-CB 3.46Å; N251-A255 PolarHBondContact O-N 2.96Å
252E92Very high91.7Very high70 Ų7055.8 Ų55.833%0.32729%0.285SS..Hα-helixtrans-62-44175.5-69.2173.6-16900111.6K234 Q248 L249 A255 E256K234-E252 HydrophobicContact CD-CB 4.43Å; K234-E252 WeakPolarHBondContact CE-OE2 3.5Å; K234-E252 VanDerWaalsContact NZ-CB 3.25Å; K234-E252 IonicContact NZ-OE2 2.84Å; K234-E252 PolarHBondContact NZ-OE2 3.46Å; K234-E252 VanDerWaalsContact NZ-OE2 3.15Å; Q248-E252 HydrophobicContact CG-CG 4.46Å; Q248-E252 WeakPolarHBondContact CG-OE1 3.37Å; Q248-E252 PolarHBondContact NE2-OE1 3.46Å; Q248-E252 WeakPolarHBondContact O-CG 3.46Å; Q248-E252 PolarHBondContact O-N 3.35Å; L249-E252 PolarHBondContact O-N 3.07Å; E252-A255 WeakPolarHBondContact O-CB 3.47Å; E252-A255 PolarHBondContact O-N 3.19Å; E252-E256 VanDerWaalsContact O-CG 3.31Å; E252-E256 WeakPolarHBondContact O-CG 3.39Å; E252-E256 PolarHBondContact O-N 3.47Å
253A90.7Very high90.6Very high3 Ų356.4 Ų56.43%0.02528%0.284CS..Hα-helixtrans-63.9-42.1177.600000112.4A230 A231 K234 L249 S250 A255 E256 T257A230-A253 VanDerWaalsContact C-CB 3.47Å; A230-A253 HydrophobicContact CB-CB 4.09Å; A230-A253 WeakPolarHBondContact O-CB 3.42Å; A231-A253 HydrophobicContact CB-CB 4.48Å; K234-A253 HydrophobicContact CB-CB 3.77Å; K234-A253 HydrophobicContact CD-CB 3.68Å; K234-A253 HydrophobicContact CG-CB 4.34Å; L249-A253 WeakPolarHBondContact O-CB 3.16Å; L249-A253 PolarHBondContact O-N 2.96Å; S250-A253 PolarHBondContact O-N 3.38Å; A253-A255 VanDerWaalsContact C-N 3.29Å; A253-A255 PolarHBondContact O-N 3.45Å; A253-E256 PolarHBondContact O-N 2.94Å; A253-T257 WeakPolarHBondContact O-CB 3.47Å; A253-T257 PolarHBondContact O-N 2.92Å; A253-T257 PolarHBondContact O-OG1 2.93Å
254M95.5Very high89.7Confident15 Ų1550.8 Ų50.87%0.07427%0.266CS..Hα-helixtrans-63.2-38.9175.7-72.8-171.9-175.700111.3T25 F26 F227 L228 A231 S250 N251 T257 L258T25-M254 HydrophobicContact CG2-CB 4.14Å; F26-M254 HydrophobicContact CE1-CB 3.98Å; F26-M254 HydrophobicContact CE1-CG 4.45Å; F26-M254 HydrophobicContact CE1-SD 4.32Å; F26-M254 HydrophobicContact CZ-SD 4.09Å; F227-M254 HydrophobicContact CB-CG 4.14Å; F227-M254 HydrophobicContact CD1-CB 4.29Å; F227-M254 HydrophobicContact CD1-CG 4.46Å; F227-M254 WeakPolarHBondContact CE1-O 3.31Å; L228-M254 HydrophobicContact CD2-CE 3.97Å; A231-M254 HydrophobicContact CB-CE 3.93Å; A231-M254 HydrophobicContact CB-CG 4.28Å; S250-M254 WeakPolarHBondContact O-CG 3.36Å; S250-M254 PolarHBondContact O-N 3.47Å; N251-M254 PolarHBondContact O-N 3.29Å; M254-T257 PolarHBondContact O-N 2.93Å; M254-L258 PolarHBondContact O-N 3.08Å; M254-L258 VanDerWaalsContact O-N 3.07Å
255A92Very high89.2Confident17 Ų1745 Ų4514%0.1424%0.236CC..Hα-helixtrans-64.1-51.117600000111.7T25 V29 N251 E252 A253 T257 L258 E259T25-A255 HydrophobicContact CG2-CB 3.88Å; V29-A255 HydrophobicContact CG2-CB 3.55Å; N251-A255 WeakPolarHBondContact O-CB 3.46Å; N251-A255 PolarHBondContact O-N 2.96Å; E252-A255 WeakPolarHBondContact O-CB 3.47Å; E252-A255 PolarHBondContact O-N 3.19Å; A253-A255 VanDerWaalsContact C-N 3.29Å; A253-A255 PolarHBondContact O-N 3.45Å; A255-T257 VanDerWaalsContact C-N 3.27Å; A255-T257 PolarHBondContact O-N 3.28Å; A255-L258 PolarHBondContact O-N 3.38Å; A255-L258 VanDerWaalsContact O-N 3.12Å; A255-E259 WeakPolarHBondContact O-CG 3.35Å; A255-E259 PolarHBondContact O-N 3.36Å
256E85.7Confident89.1Confident102 Ų10242.6 Ų42.648%0.47723%0.225SC..Hα-helixtrans-56.5-41.1176.7-73.1163.3-176.700111.8K234 E252 A253 E259 A260K234-E256 IonicContact NZ-OE1 3.54Å; K234-E256 PolarHBondContact NZ-OE1 2.87Å; K234-E256 IonicContact NZ-OE2 3.83Å; K234-E256 PolarHBondContact NZ-OE2 3.1Å; K234-E256 VanDerWaalsContact NZ-OE2 3.16Å; E252-E256 VanDerWaalsContact O-CG 3.31Å; E252-E256 WeakPolarHBondContact O-CG 3.39Å; E252-E256 PolarHBondContact O-N 3.47Å; A253-E256 PolarHBondContact O-N 2.94Å; E256-E259 PolarHBondContact O-N 3.45Å; E256-A260 WeakPolarHBondContact O-CB 3.16Å; E256-A260 PolarHBondContact O-N 2.94Å
257T86.5Confident89.1Confident28 Ų2839 Ų3917%0.17221%0.207CC..Hα-helixtrans-63.5-43.2177.3-56.40000111.5D226 F227 A230 A253 M254 A255 A260 C261D226-T257 HydrophobicContact CB-CG2 4.31Å; F227-T257 HydrophobicContact CD1-CG2 3.64Å; F227-T257 HydrophobicContact CE1-CG2 3.6Å; F227-T257 HydrophobicContact CG-CG2 4.32Å; F227-T257 HydrophobicContact CZ-CG2 4.24Å; A230-T257 WeakPolarHBondContact CB-OG1 3.32Å; A253-T257 WeakPolarHBondContact O-CB 3.47Å; A253-T257 PolarHBondContact O-N 2.92Å; A253-T257 PolarHBondContact O-OG1 2.93Å; M254-T257 PolarHBondContact O-N 2.93Å; A255-T257 VanDerWaalsContact C-N 3.27Å; A255-T257 PolarHBondContact O-N 3.28Å; T257-A260 PolarHBondContact O-N 3.3Å; T257-C261 PolarHBondContact O-N 3.4Å; T257-C261 PolarHBondContact O-SG 2.76Å
258L91.8Very high89.1Confident0 Ų036.4 Ų36.40%020%0.196CC..Hα-helixtrans-71.4-39.7178.6-17953.2000111.2P13 T15 F26 V29 L37 F227 M254 A255 A260 C261 Y262P13-L258 HydrophobicContact CB-CD1 4.04Å; P13-L258 HydrophobicContact CG-CD1 3.91Å; T15-L258 HydrophobicContact CG2-CD1 3.9Å; F26-L258 HydrophobicContact CB-CD2 3.9Å; F26-L258 HydrophobicContact CD1-CD2 3.95Å; F26-L258 HydrophobicContact CG-CD2 4.34Å; V29-L258 HydrophobicContact CB-CD2 3.93Å; V29-L258 HydrophobicContact CB-CG 4.36Å; V29-L258 HydrophobicContact CG1-CB 4.07Å; V29-L258 HydrophobicContact CG1-CD2 3.89Å; V29-L258 HydrophobicContact CG1-CG 3.78Å; L37-L258 HydrophobicContact CD1-CD1 4.41Å; L37-L258 HydrophobicContact CD1-CD2 4.23Å; F227-L258 HydrophobicContact CE1-CB 3.78Å; F227-L258 HydrophobicContact CZ-CB 4.2Å; F227-L258 HydrophobicContact CZ-CD1 4.36Å; M254-L258 PolarHBondContact O-N 3.08Å; M254-L258 VanDerWaalsContact O-N 3.07Å; A255-L258 PolarHBondContact O-N 3.38Å; A255-L258 VanDerWaalsContact O-N 3.12Å; L258-A260 VanDerWaalsContact C-N 3.27Å; L258-A260 PolarHBondContact O-N 3.08Å; L258-C261 HydrophobicContact CD1-CB 4.38Å; L258-C261 VanDerWaalsContact O-CB 3.32Å; L258-C261 WeakPolarHBondContact O-CB 3.32Å; L258-C261 PolarHBondContact O-N 3.05Å; L258-Y262 HydrophobicContact CD1-CD2 4.17Å; L258-Y262 HydrophobicContact CD1-CE2 3.57Å; L258-Y262 HydrophobicContact CD2-CE2 4.36Å; L258-Y262 HydrophobicContact CG-CD2 4.24Å; L258-Y262 HydrophobicContact CG-CE2 3.71Å; L258-Y262 WeakPolarHBondContact O-CD2 3.48Å; L258-Y262 PolarHBondContact O-N 2.98Å
259E84.3Confident89.2Confident30 Ų3031 Ų3114%0.1417%0.171CC..Hα-helixtrans-57.9-42173.9-72.8-177.9-176.100111.5V29 K32 L33 A255 E256 C261 Y262 K263V29-E259 HydrophobicContact CG1-CG 3.74Å; K32-E259 IonicContact NZ-OE1 3.15Å; K32-E259 PolarHBondContact NZ-OE1 3.3Å; L33-E259 HydrophobicContact CD1-CG 4.21Å; A255-E259 WeakPolarHBondContact O-CG 3.35Å; A255-E259 PolarHBondContact O-N 3.36Å; E256-E259 PolarHBondContact O-N 3.45Å; E259-C261 VanDerWaalsContact C-N 3.27Å; E259-C261 PolarHBondContact O-N 3.38Å; E259-Y262 PolarHBondContact O-N 3.31Å; E259-Y262 VanDerWaalsContact O-N 3.12Å; E259-K263 WeakPolarHBondContact O-CG 3.43Å; E259-K263 PolarHBondContact O-N 2.61Å; E259-K263 IonicContact OE2-NZ 3.67Å; E259-K263 PolarHBondContact OE2-NZ 3.24Å
260A78.3Confident89.3Confident61 Ų6130.6 Ų30.650%0.50417%0.169SC..Hα-helixtrans-62.8-32.4175.400000112.7E256 T257 L258 Y262 K263E256-A260 WeakPolarHBondContact O-CB 3.16Å; E256-A260 PolarHBondContact O-N 2.94Å; T257-A260 PolarHBondContact O-N 3.3Å; L258-A260 VanDerWaalsContact C-N 3.27Å; L258-A260 PolarHBondContact O-N 3.08Å; A260-Y262 PolarHBondContact O-N 3.24Å; A260-K263 PolarHBondContact O-N 3.27Å
261C84Confident89.2Confident53 Ų5329.6 Ų29.636%0.35816%0.162SC..Hα-helixtrans-66.1-23.3175.4-63.30000113.1I223 T257 L258 E259I223-C261 VanDerWaalsContact CD1-SG 3.55Å; T257-C261 PolarHBondContact O-N 3.4Å; T257-C261 PolarHBondContact O-SG 2.76Å; L258-C261 HydrophobicContact CD1-CB 4.38Å; L258-C261 VanDerWaalsContact O-CB 3.32Å; L258-C261 WeakPolarHBondContact O-CB 3.32Å; L258-C261 PolarHBondContact O-N 3.05Å; E259-C261 VanDerWaalsContact C-N 3.27Å; E259-C261 PolarHBondContact O-N 3.38Å
262Y81.4Confident88.9Confident54 Ų5428.9 Ų28.921%0.21216%0.157CC..Hα-helixtrans-94-16.4177.8-69.7-69.3000114P13 L33 K35 P36 L258 E259 A260P13-Y262 HydrophobicContact CG-CE1 3.63Å; P13-Y262 HydrophobicContact CG-CE2 4.11Å; P13-Y262 VanDerWaalsContact CG-OH 3.23Å; P13-Y262 WeakPolarHBondContact CG-OH 3.48Å; L33-Y262 HydrophobicContact CD1-CD2 3.23Å; L33-Y262 HydrophobicContact CD1-CE2 3.88Å; L33-Y262 HydrophobicContact CD1-CG 3.82Å; K35-Y262 HydrophobicContact CB-CD1 3.86Å; K35-Y262 HydrophobicContact CB-CE1 3.44Å; K35-Y262 VanDerWaalsContact CB-CE1 3.44Å; K35-Y262 HydrophobicContact CG-CD1 3.86Å; K35-Y262 HydrophobicContact CG-CE1 4Å; K35-Y262 HydrophobicContact CG-CG 4.4Å; P36-Y262 PolarHBondContact O-OH 3.08Å; L258-Y262 HydrophobicContact CD1-CD2 4.17Å; L258-Y262 HydrophobicContact CD1-CE2 3.57Å; L258-Y262 HydrophobicContact CD2-CE2 4.36Å; L258-Y262 HydrophobicContact CG-CD2 4.24Å; L258-Y262 HydrophobicContact CG-CE2 3.71Å; L258-Y262 WeakPolarHBondContact O-CD2 3.48Å; L258-Y262 PolarHBondContact O-N 2.98Å; E259-Y262 PolarHBondContact O-N 3.31Å; E259-Y262 VanDerWaalsContact O-N 3.12Å; A260-Y262 PolarHBondContact O-N 3.24Å
263K73.3Confident89Confident86 Ų8630 Ų3037%0.37417%0.172SC..  trans-89.3127.1-174.5-73.7170.9-177.9168.70111E259 A260E259-K263 WeakPolarHBondContact O-CG 3.43Å; E259-K263 PolarHBondContact O-N 2.61Å; E259-K263 IonicContact OE2-NZ 3.67Å; E259-K263 PolarHBondContact OE2-NZ 3.24Å; A260-K263 PolarHBondContact O-N 3.27Å
264S77.1Confident89.1Confident26 Ų2637 Ų3718%0.18220%0.199CC..  trans-132.7133.4173.1-172.50000108.6N211 E296N211-S264 PolarHBondContact ND2-OG 3.07Å; N211-S264 VanDerWaalsContact ND2-OG 3.12Å; S264-E296 PolarHBondContact OG-O 3.12Å
265P87.6Confident89.1Confident8 Ų837.8 Ų37.85%0.05220%0.203CC..  trans-60.4152.6169.431.7-40.4000110.1E296 C297 S298 M450 D455 L480 H484P265-E296 VanDerWaalsContact CD-O 3.25Å; P265-E296 WeakPolarHBondContact CD-O 3.13Å; P265-E296 WeakPolarHBondContact CG-O 3.36Å; P265-C297 WeakPolarHBondContact O-CA 3.29Å; P265-S298 PolarHBondContact O-N 2.9Å; P265-M450 HydrophobicContact CB-CE 3.88Å; P265-D455 WeakPolarHBondContact CA-O 3.45Å; P265-L480 HydrophobicContact CB-CD1 3.9Å; P265-L480 HydrophobicContact CB-CD2 4.43Å; P265-L480 HydrophobicContact CB-CG 4.23Å; P265-H484 HydrophobicContact CB-CB 4.38Å; P265-H484 HydrophobicContact CG-CB 3.77Å
266F92.6Very high89.4Confident9 Ų945 Ų454%0.03923%0.228CC..EExtended strand (participates in β ladder)trans-136.2147177.865.3-86.8000113.8V268 S298 L300 V398 L433 M435 D455 G456 T457F266-V268 HydrophobicContact CD2-CG2 3.89Å; F266-V268 HydrophobicContact CE2-CG2 4.11Å; F266-S298 CarbonylContact C-O 3.56Å; F266-S298 WeakPolarHBondContact CA-O 3.43Å; F266-S298 VanDerWaalsContact CB-O 3.31Å; F266-S298 WeakPolarHBondContact CB-O 3.49Å; F266-L300 HydrophobicContact CB-CD1 3.88Å; F266-L300 HydrophobicContact CD2-CD1 4.15Å; F266-L300 HydrophobicContact CG-CD1 4.38Å; F266-V398 HydrophobicContact CE1-CG1 4.47Å; F266-V398 HydrophobicContact CE2-CG1 4.02Å; F266-V398 HydrophobicContact CZ-CG1 3.51Å; F266-V398 HydrophobicContact CZ-CG2 4.3Å; F266-L433 HydrophobicContact CD1-CD1 4.41Å; F266-L433 HydrophobicContact CE1-CB 4.02Å; F266-L433 HydrophobicContact CE1-CD1 4.04Å; F266-L433 HydrophobicContact CZ-CB 4.47Å; F266-M435 HydrophobicContact CE2-CB 4.02Å; F266-M435 HydrophobicContact CE2-CG 4.01Å; F266-M435 HydrophobicContact CE2-SD 3.97Å; F266-M435 HydrophobicContact CZ-CB 3.92Å; F266-M435 HydrophobicContact CZ-CG 4.38Å; F266-D455 WeakPolarHBondContact CD1-O 3.32Å; F266-D455 HydrophobicContact CE1-CB 4.02Å; F266-D455 PolarHBondContact N-O 3.39Å; F266-G456 WeakPolarHBondContact O-CA 3.16Å; F266-T457 PolarHBondContact O-N 3.28Å; F266-T457 VanDerWaalsContact O-N 3.1Å
267F97.2Very high89.9Confident0 Ų041.5 Ų41.50%022%0.219CC..EExtended strand (participates in β ladder)trans-115.6133.2172.9-167.7-99.7000109.9F269 S298 I299 L300 V446 T457 C459 I463 L473 M476 I477 L480F267-F269 HydrophobicContact CE1-CB 4.27Å; F267-S298 PolarHBondContact N-O 2.76Å; F267-I299 WeakPolarHBondContact O-CA 3.19Å; F267-L300 PolarHBondContact O-N 2.65Å; F267-V446 HydrophobicContact CE2-CG2 3.84Å; F267-T457 CarbonylContact C-O 3.58Å; F267-T457 WeakPolarHBondContact CA-O 3.49Å; F267-T457 HydrophobicContact CD2-CG2 4.04Å; F267-T457 HydrophobicContact CE2-CG2 4.25Å; F267-C459 HydrophobicContact CZ-CB 4.46Å; F267-I463 HydrophobicContact CE1-CD1 4Å; F267-I463 HydrophobicContact CZ-CD1 4.03Å; F267-L473 HydrophobicContact CD1-CD1 4.28Å; F267-L473 HydrophobicContact CE1-CD1 3.79Å; F267-M476 HydrophobicContact CE2-CB 3.91Å; F267-M476 HydrophobicContact CE2-SD 4.28Å; F267-M476 HydrophobicContact CZ-CB 3.87Å; F267-M476 HydrophobicContact CZ-CG 4.43Å; F267-M476 HydrophobicContact CZ-SD 3.76Å; F267-I477 HydrophobicContact CB-CG1 4.24Å; F267-I477 HydrophobicContact CD1-CD1 4.32Å; F267-I477 HydrophobicContact CD1-CG1 3.95Å; F267-I477 HydrophobicContact CG-CG1 4.05Å; F267-L480 HydrophobicContact CB-CD2 3.66Å
268V97.8Very high90.4Very high0 Ų046.3 Ų46.30%024%0.24CC..EExtended strand (participates in β ladder)trans-112111.1174-169.90000110.4F266 N270 L300 F351 I379 M435 T457 G458 C459F266-V268 HydrophobicContact CD2-CG2 3.89Å; F266-V268 HydrophobicContact CE2-CG2 4.11Å; V268-N270 HydrophobicContact CG1-CB 4.27Å; V268-N270 PolarHBondContact O-N 3.03Å; V268-L300 WeakPolarHBondContact CA-O 3.4Å; V268-L300 HydrophobicContact CB-CB 4.38Å; V268-L300 HydrophobicContact CG1-CB 4.12Å; V268-L300 HydrophobicContact CG2-CB 4.11Å; V268-L300 HydrophobicContact CG2-CD1 4.31Å; V268-L300 HydrophobicContact CG2-CD2 4.34Å; V268-L300 HydrophobicContact CG2-CG 4.48Å; V268-F351 HydrophobicContact CG1-CE2 3.69Å; V268-F351 HydrophobicContact CG1-CZ 3.8Å; V268-I379 HydrophobicContact CG2-CD1 4.33Å; V268-M435 HydrophobicContact CB-CE 3.76Å; V268-M435 HydrophobicContact CB-SD 4.42Å; V268-M435 HydrophobicContact CG2-CE 3.74Å; V268-M435 HydrophobicContact CG2-SD 3.74Å; V268-T457 PolarHBondContact N-O 3.01Å; V268-G458 CarbonylContact O-C 3.37Å; V268-G458 WeakPolarHBondContact O-CA 3.48Å; V268-C459 PolarHBondContact O-N 2.87Å
269F97.8Very high90.6Very high0 Ų051.5 Ų51.50%026%0.264CS..EExtended strand (participates in β ladder)trans-84104.2163.1177.7-143.7000109.2F267 P271 L275 L283 L300 V301 T302 I463 T464 L473F267-F269 HydrophobicContact CE1-CB 4.27Å; F269-P271 HydrophobicContact CE1-CB 4.49Å; F269-P271 HydrophobicContact CE2-CB 4.05Å; F269-P271 HydrophobicContact CZ-CB 3.86Å; F269-P271 HydrophobicContact CZ-CG 4.36Å; F269-P271 VanDerWaalsContact O-CD 3.31Å; F269-P271 WeakPolarHBondContact O-CD 3.4Å; F269-L275 HydrophobicContact CZ-CD1 3.99Å; F269-L283 HydrophobicContact CE1-CB 3.76Å; F269-L283 HydrophobicContact CE1-CD1 3.78Å; F269-L283 HydrophobicContact CE1-CG 4.43Å; F269-L283 HydrophobicContact CZ-CD1 3.67Å; F269-L300 PolarHBondContact N-O 2.91Å; F269-V301 HydrophobicContact CD1-CG1 4.09Å; F269-V301 WeakPolarHBondContact O-CA 3.37Å; F269-T302 PolarHBondContact O-N 3.38Å; F269-I463 HydrophobicContact CD2-CB 4.27Å; F269-I463 HydrophobicContact CD2-CD1 3.55Å; F269-I463 HydrophobicContact CD2-CG2 4.14Å; F269-I463 HydrophobicContact CE2-CB 3.84Å; F269-I463 HydrophobicContact CE2-CD1 4.02Å; F269-I463 HydrophobicContact CE2-CG2 3.52Å; F269-I463 HydrophobicContact CG-CD1 4.23Å; F269-I463 HydrophobicContact CZ-CG2 3.78Å; F269-T464 HydrophobicContact CE2-CG2 4.32Å; F269-T464 HydrophobicContact CZ-CG2 4.49Å; F269-L473 HydrophobicContact CB-CD1 4.11Å; F269-L473 HydrophobicContact CD1-CD2 4.45Å; F269-L473 HydrophobicContact CG-CD1 4.34Å
270N95.8Very high91.2Very high18 Ų1850 Ų5010%0.09626%0.257CS..  trans-11192.5177.6-173.5-9.4000109.9V268 K272 C459 T460V268-N270 HydrophobicContact CG1-CB 4.27Å; V268-N270 PolarHBondContact O-N 3.03Å; N270-K272 PolarHBondContact O-N 3.17Å; N270-K272 VanDerWaalsContact O-N 3.14Å; N270-K272 PolarHBondContact OD1-N 3.18Å; N270-C459 PolarHBondContact N-O 3Å; N270-T460 WeakPolarHBondContact O-CA 3.25Å; N270-T460 WeakPolarHBondContact O-CB 3.44Å; N270-T460 VanDerWaalsContact O-CG2 3.27Å; N270-T460 WeakPolarHBondContact O-CG2 3.5Å; N270-T460 PolarHBondContact O-OG1 3.34Å
271P94.6Very high92.2Very high0 Ų048.2 Ų48.20%024%0.239CC..  trans-71.9-0.6178.231.4-37.1000113.5F269 S273 Y274 L275 L280 T302 T464F269-P271 HydrophobicContact CE1-CB 4.49Å; F269-P271 HydrophobicContact CE2-CB 4.05Å; F269-P271 HydrophobicContact CZ-CB 3.86Å; F269-P271 HydrophobicContact CZ-CG 4.36Å; F269-P271 VanDerWaalsContact O-CD 3.31Å; F269-P271 WeakPolarHBondContact O-CD 3.4Å; P271-S273 PolarHBondContact O-N 3Å; P271-Y274 WeakPolarHBondContact O-CB 3.31Å; P271-Y274 WeakPolarHBondContact O-CD2 3.37Å; P271-Y274 PolarHBondContact O-N 2.76Å; P271-L275 HydrophobicContact CB-CB 4.03Å; P271-L275 HydrophobicContact CB-CD1 4.06Å; P271-L275 HydrophobicContact CB-CG 4.17Å; P271-L280 HydrophobicContact CB-CD1 4.46Å; P271-L280 HydrophobicContact CG-CD1 3.7Å; P271-T302 WeakPolarHBondContact CD-O 3.14Å; P271-T302 VanDerWaalsContact CG-O 3.29Å; P271-T302 WeakPolarHBondContact CG-O 3.26Å; P271-T464 HydrophobicContact CB-CG2 4.26Å
272K91.8Very high92.8Very high27 Ų2751.4 Ų51.412%0.11725%0.246CC..THydrogen-bonded Turntrans48.7-128.7-170.6-56.4-178.8177.8-172.40109.1N270 Y274 Q323 E356 T460N270-K272 PolarHBondContact O-N 3.17Å; N270-K272 VanDerWaalsContact O-N 3.14Å; N270-K272 PolarHBondContact OD1-N 3.18Å; K272-Y274 HydrophobicContact CB-CD2 4.19Å; K272-Y274 HydrophobicContact CB-CE2 4.4Å; K272-Y274 HydrophobicContact CD-CE2 4.29Å; K272-Q323 VanDerWaalsContact C-NE2 3.28Å; K272-Q323 PolarHBondContact O-NE2 3.01Å; K272-E356 VanDerWaalsContact CD-OE1 3.32Å; K272-E356 WeakPolarHBondContact CD-OE1 3.27Å; K272-E356 WeakPolarHBondContact CE-OE1 3.4Å; K272-E356 IonicContact NZ-OE1 3.62Å; K272-E356 PolarHBondContact NZ-OE1 3.2Å; K272-T460 HydrophobicContact CB-CG2 4.4Å; K272-T460 HydrophobicContact CD-CG2 4.03Å; K272-T460 WeakPolarHBondContact CE-OG1 3.37Å; K272-T460 HydrophobicContact CG-CG2 3.91Å
273S92.4Very high93.6Very high92 Ų9249.6 Ų49.664%0.64324%0.24SC*.THydrogen-bonded Turntrans-102.614.3176.3-58.30000113.5P271 L275P271-S273 PolarHBondContact O-N 3Å; S273-L275 VanDerWaalsContact C-N 3.35Å
274Y94.5Very high94.8Very high151 Ų15145.5 Ų45.559%0.59222%0.222SC*.SBendtrans-75.5-26179.3-65.9-72.6000112.7P271 K272 T460P271-Y274 WeakPolarHBondContact O-CB 3.31Å; P271-Y274 WeakPolarHBondContact O-CD2 3.37Å; P271-Y274 PolarHBondContact O-N 2.76Å; K272-Y274 HydrophobicContact CB-CD2 4.19Å; K272-Y274 HydrophobicContact CB-CE2 4.4Å; K272-Y274 HydrophobicContact CD-CE2 4.29Å; Y274-T460 HydrophobicContact CD2-CG2 3.72Å; Y274-T460 HydrophobicContact CE2-CG2 3.97Å
275L95.5Very high95.8Very high32 Ų3248.8 Ų48.817%0.16823%0.234CC..  trans-127.2145.8177.8-56.6177.8000110.4F269 P271 S273 E279 L280 L283 T464F269-L275 HydrophobicContact CZ-CD1 3.99Å; P271-L275 HydrophobicContact CB-CB 4.03Å; P271-L275 HydrophobicContact CB-CD1 4.06Å; P271-L275 HydrophobicContact CB-CG 4.17Å; S273-L275 VanDerWaalsContact C-N 3.35Å; L275-E279 HydrophobicContact CD2-CB 4.38Å; L275-L280 HydrophobicContact CB-CB 4Å; L275-L280 HydrophobicContact CB-CD1 4.37Å; L275-L283 HydrophobicContact CD1-CD1 3.5Å; L275-L283 VanDerWaalsContact CD1-CD1 3.5Å; L275-T464 HydrophobicContact CD1-CG2 4.04Å; L275-T464 HydrophobicContact CG-CG2 4.2Å
276Y96.4Very high96.3Very high168 Ų16851.9 Ų51.966%0.65924%0.244SC*.  trans-158163.6176.754.7-89.8000109E278Y276-E278 PolarHBondContact O-N 3.22Å
277G96.9Very high96.6Very high28 Ų2851.4 Ų51.429%0.28924%0.242SC..Hα-helixtrans56.1-136.6177.300000113.7E279 L280 L281 D307G277-E279 VanDerWaalsContact C-N 3.35Å; G277-E279 PolarHBondContact O-N 2.91Å; G277-L280 PolarHBondContact O-N 2.86Å; G277-L281 WeakPolarHBondContact O-CB 3.35Å; G277-L281 PolarHBondContact O-N 2.94Å; G277-D307 WeakPolarHBondContact CA-OD1 3.2Å; G277-D307 PolarHBondContact N-OD1 2.97Å; G277-D307 VanDerWaalsContact N-OD1 3.07Å; G277-D307 PolarHBondContact N-OD2 3.46Å
278E97.2Very high96.6Very high130 Ų13052.5 Ų52.561%0.60725%0.248SC*.Hα-helixtrans-60.8-36.3-171.9-68.5-63157.600114.3Y276 L281 K282Y276-E278 PolarHBondContact O-N 3.22Å; E278-L281 PolarHBondContact O-N 3.03Å; E278-K282 VanDerWaalsContact O-CG 3.32Å; E278-K282 WeakPolarHBondContact O-CG 3.23Å; E278-K282 PolarHBondContact O-N 3.44Å
279E95.7Very high96.5Very high108 Ų10857.8 Ų57.851%0.50527%0.273SS..Hα-helixtrans-69.1-40.4179.9-63.9-53.8118.400111.4L275 G277 K282L275-E279 HydrophobicContact CD2-CB 4.38Å; G277-E279 VanDerWaalsContact C-N 3.35Å; G277-E279 PolarHBondContact O-N 2.91Å; E279-K282 IonicContact OE1-NZ 3.33Å; E279-K282 PolarHBondContact OE1-NZ 2.97Å; E279-K282 IonicContact OE2-NZ 2.77Å
280L97.5Very high96.3Very high0 Ų057.8 Ų57.80%027%0.273CS..Hα-helixtrans-65.8-43.5172.2177.154.6000111.3P271 L275 G277 K282 L283 A284 V301 V303 D307P271-L280 HydrophobicContact CB-CD1 4.46Å; P271-L280 HydrophobicContact CG-CD1 3.7Å; L275-L280 HydrophobicContact CB-CB 4Å; L275-L280 HydrophobicContact CB-CD1 4.37Å; G277-L280 PolarHBondContact O-N 2.86Å; L280-K282 VanDerWaalsContact C-N 3.28Å; L280-K282 PolarHBondContact O-N 3.14Å; L280-L283 PolarHBondContact O-N 3.4Å; L280-L283 VanDerWaalsContact O-N 3.15Å; L280-A284 WeakPolarHBondContact O-CB 3.37Å; L280-A284 PolarHBondContact O-N 3Å; L280-V301 HydrophobicContact CD1-CG1 4.38Å; L280-V303 HydrophobicContact CD2-CB 3.9Å; L280-V303 HydrophobicContact CD2-CG1 3.88Å; L280-V303 HydrophobicContact CG-CG1 4.37Å; L280-D307 HydrophobicContact CD2-CB 4.19Å
281L98.2Very high96Very high22 Ų2257.3 Ų57.312%0.11527%0.271CS..Hα-helixtrans-60-38.3-179-171.162.8000112.2G277 E278 A284 K285 V311 A314G277-L281 WeakPolarHBondContact O-CB 3.35Å; G277-L281 PolarHBondContact O-N 2.94Å; E278-L281 PolarHBondContact O-N 3.03Å; L281-A284 PolarHBondContact O-N 3.32Å; L281-K285 WeakPolarHBondContact O-CG 3.27Å; L281-K285 PolarHBondContact O-N 2.9Å; L281-V311 HydrophobicContact CD1-CB 4.48Å; L281-V311 HydrophobicContact CD1-CG2 3.92Å; L281-A314 HydrophobicContact CD1-CB 3.65Å
282K97.9Very high95.4Very high120 Ų12059.9 Ų59.952%0.52229%0.293SS..Hα-helixtrans-59.2-48174.2-74.2168.2-173.3168.40111.9E278 E279 L280 K285 R286E278-K282 VanDerWaalsContact O-CG 3.32Å; E278-K282 WeakPolarHBondContact O-CG 3.23Å; E278-K282 PolarHBondContact O-N 3.44Å; E279-K282 IonicContact OE1-NZ 3.33Å; E279-K282 PolarHBondContact OE1-NZ 2.97Å; E279-K282 IonicContact OE2-NZ 2.77Å; L280-K282 VanDerWaalsContact C-N 3.28Å; L280-K282 PolarHBondContact O-N 3.14Å; K282-K285 PolarHBondContact O-N 3.23Å; K282-R286 PolarHBondContact O-N 2.91Å; K282-R286 VanDerWaalsContact O-N 3.13Å
283L98Very high95.1Very high16 Ų1663.9 Ų63.98%0.08431%0.31CS..Hα-helixtrans-71.7-33.7178.8-67.5-178.3000112.6F269 L275 L280 R286 A287 P469 A470F269-L283 HydrophobicContact CE1-CB 3.76Å; F269-L283 HydrophobicContact CE1-CD1 3.78Å; F269-L283 HydrophobicContact CE1-CG 4.43Å; F269-L283 HydrophobicContact CZ-CD1 3.67Å; L275-L283 HydrophobicContact CD1-CD1 3.5Å; L275-L283 VanDerWaalsContact CD1-CD1 3.5Å; L280-L283 PolarHBondContact O-N 3.4Å; L280-L283 VanDerWaalsContact O-N 3.15Å; L283-R286 WeakPolarHBondContact O-CB 3.43Å; L283-R286 PolarHBondContact O-N 2.86Å; L283-A287 WeakPolarHBondContact O-CB 3.38Å; L283-A287 PolarHBondContact O-N 3.2Å; L283-P469 HydrophobicContact CD1-CB 3.93Å; L283-P469 HydrophobicContact CD2-CB 4.05Å; L283-A470 HydrophobicContact CD2-CB 3.9Å
284A98.4Very high94.7Very high0 Ų061.2 Ų61.20%029%0.286CS..Hα-helixtrans-62.8-41.617400000111.7L280 L281 R286 A287 D288 V301 V311 T315 I318L280-A284 WeakPolarHBondContact O-CB 3.37Å; L280-A284 PolarHBondContact O-N 3Å; L281-A284 PolarHBondContact O-N 3.32Å; A284-R286 VanDerWaalsContact C-N 3.33Å; A284-R286 PolarHBondContact O-N 3.41Å; A284-A287 WeakPolarHBondContact O-CB 3.46Å; A284-A287 PolarHBondContact O-N 2.86Å; A284-D288 WeakPolarHBondContact O-CB 3.25Å; A284-D288 PolarHBondContact O-N 2.9Å; A284-V301 HydrophobicContact CB-CG1 4.36Å; A284-V311 HydrophobicContact CB-CG1 3.75Å; A284-V311 HydrophobicContact CB-CG2 4.26Å; A284-T315 HydrophobicContact CB-CG2 4.37Å; A284-I318 HydrophobicContact CB-CD1 4.12Å
285K98.5Very high93.5Very high96 Ų9654.2 Ų54.242%0.41726%0.259SS..Hα-helixtrans-61.9-40.9172.3-74.3174.6177.2177.90112.1L281 K282 D288 E289L281-K285 WeakPolarHBondContact O-CG 3.27Å; L281-K285 PolarHBondContact O-N 2.9Å; K282-K285 PolarHBondContact O-N 3.23Å; K285-D288 WeakPolarHBondContact O-CB 3.2Å; K285-D288 PolarHBondContact O-N 3.01Å; K285-D288 VanDerWaalsContact O-N 3.17Å; K285-E289 WeakPolarHBondContact O-CG 3.11Å; K285-E289 PolarHBondContact O-N 3.45Å
286R97.9Very high92.4Very high72 Ų7254 Ų5427%0.27226%0.257SS..Hα-helixtrans-62.6-43.6174.3-179.856.6-178.5163.51.1111.9K282 L283 A284 D288 E289 L290 A470 L473 T474K282-R286 PolarHBondContact O-N 2.91Å; K282-R286 VanDerWaalsContact O-N 3.13Å; L283-R286 WeakPolarHBondContact O-CB 3.43Å; L283-R286 PolarHBondContact O-N 2.86Å; A284-R286 VanDerWaalsContact C-N 3.33Å; A284-R286 PolarHBondContact O-N 3.41Å; R286-D288 PolarHBondContact O-N 2.87Å; R286-E289 WeakPolarHBondContact CD-OE2 3.31Å; R286-E289 IonicContact CZ-OE2 3.94Å; R286-E289 IonicContact NH1-OE2 3.77Å; R286-E289 PolarHBondContact NH1-OE2 3.43Å; R286-E289 PolarHBondContact O-N 2.96Å; R286-L290 HydrophobicContact CG-CD1 4.22Å; R286-L290 VanDerWaalsContact O-CG 3.3Å; R286-L290 WeakPolarHBondContact O-CG 3.38Å; R286-L290 PolarHBondContact O-N 3.38Å; R286-A470 HydrophobicContact CG-CB 4.22Å; R286-L473 HydrophobicContact CG-CD2 4.43Å; R286-T474 PolarHBondContact NE-OG1 3.49Å; R286-T474 PolarHBondContact NH2-OG1 2.84Å
287A98Very high91.9Very high0 Ų046.2 Ų46.20%023%0.227CC..Hα-helixtrans-59.5-36.617400000111.6L283 A284 L290 A291 I299 V301 I318 L473L283-A287 WeakPolarHBondContact O-CB 3.38Å; L283-A287 PolarHBondContact O-N 3.2Å; A284-A287 WeakPolarHBondContact O-CB 3.46Å; A284-A287 PolarHBondContact O-N 2.86Å; A287-L290 PolarHBondContact O-N 2.73Å; A287-A291 WeakPolarHBondContact O-CB 3.46Å; A287-A291 PolarHBondContact O-N 3.32Å; A287-I299 HydrophobicContact CB-CG2 4.06Å; A287-V301 HydrophobicContact CB-CG2 3.66Å; A287-I318 HydrophobicContact CB-CG2 3.8Å; A287-L473 HydrophobicContact CB-CD2 4.07Å
288D96.8Very high91.6Very high23 Ų2346.9 Ų46.912%0.12323%0.227CC..Hα-helixtrans-67-43.4177.3-15458.8000113.3A284 K285 R286 L290 A291 A292 T315 E316 K317 I318A284-D288 WeakPolarHBondContact O-CB 3.25Å; A284-D288 PolarHBondContact O-N 2.9Å; K285-D288 WeakPolarHBondContact O-CB 3.2Å; K285-D288 PolarHBondContact O-N 3.01Å; K285-D288 VanDerWaalsContact O-N 3.17Å; R286-D288 PolarHBondContact O-N 2.87Å; D288-L290 VanDerWaalsContact C-N 3.26Å; D288-L290 PolarHBondContact O-N 2.88Å; D288-A291 PolarHBondContact O-N 3.35Å; D288-A292 PolarHBondContact O-N 3.49Å; D288-T315 HydrophobicContact CB-CG2 3.97Å; D288-T315 WeakPolarHBondContact OD1-CB 3.18Å; D288-T315 WeakPolarHBondContact OD2-CA 3.47Å; D288-E316 PolarHBondContact OD1-N 3.32Å; D288-E316 VanDerWaalsContact OD1-N 3.16Å; D288-E316 PolarHBondContact OD2-N 3.05Å; D288-K317 WeakPolarHBondContact OD1-CA 3.25Å; D288-K317 WeakPolarHBondContact OD1-CB 3.34Å; D288-K317 PolarHBondContact OD1-N 3.24Å; D288-I318 HydrophobicContact CB-CG2 4.22Å; D288-I318 PolarHBondContact OD1-N 3.38Å
289E96.2Very high91.4Very high111 Ų11140.8 Ų40.852%0.51920%0.199SC..Hα-helixtrans-58.7-41.1170.8-67.8169.8-177.100111.5K285 R286 A292 K293K285-E289 WeakPolarHBondContact O-CG 3.11Å; K285-E289 PolarHBondContact O-N 3.45Å; R286-E289 WeakPolarHBondContact CD-OE2 3.31Å; R286-E289 IonicContact CZ-OE2 3.94Å; R286-E289 IonicContact NH1-OE2 3.77Å; R286-E289 PolarHBondContact NH1-OE2 3.43Å; R286-E289 PolarHBondContact O-N 2.96Å; E289-A292 PolarHBondContact O-N 3.4Å; E289-K293 WeakPolarHBondContact O-CB 3.25Å; E289-K293 PolarHBondContact O-N 3.02Å
290L94.6Very high91.5Very high0 Ų036.3 Ų36.30%018%0.178CC..Hα-helixtrans-70.2-36.6178.2-67.5169000111.9R286 A287 D288 A292 K293 Y294 I299 L473 T474 I477R286-L290 HydrophobicContact CG-CD1 4.22Å; R286-L290 VanDerWaalsContact O-CG 3.3Å; R286-L290 WeakPolarHBondContact O-CG 3.38Å; R286-L290 PolarHBondContact O-N 3.38Å; A287-L290 PolarHBondContact O-N 2.73Å; D288-L290 VanDerWaalsContact C-N 3.26Å; D288-L290 PolarHBondContact O-N 2.88Å; L290-A292 VanDerWaalsContact C-N 3.29Å; L290-A292 PolarHBondContact O-N 2.98Å; L290-K293 CarbonylContact O-C 3.57Å; L290-K293 PolarHBondContact O-N 2.94Å; L290-K293 VanDerWaalsContact O-N 3.1Å; L290-Y294 HydrophobicContact CD2-CD2 4.42Å; L290-Y294 HydrophobicContact CD2-CE2 4.17Å; L290-Y294 PolarHBondContact O-N 2.95Å; L290-I299 HydrophobicContact CB-CD1 4.03Å; L290-L473 HydrophobicContact CD1-CG 4.1Å; L290-T474 HydrophobicContact CD2-CG2 3.89Å; L290-I477 HydrophobicContact CB-CD1 3.99Å; L290-I477 HydrophobicContact CB-CG2 4.29Å; L290-I477 HydrophobicContact CD1-CD1 3.53Å; L290-I477 HydrophobicContact CG-CD1 4.38Å
291A88.5Confident91.6Very high8 Ų836.3 Ų36.37%0.06618%0.178CC..Hα-helixtrans-65.5-35.1174.700000111.5A287 D288 Y294 P295 I299 K317 I318A287-A291 WeakPolarHBondContact O-CB 3.46Å; A287-A291 PolarHBondContact O-N 3.32Å; D288-A291 PolarHBondContact O-N 3.35Å; A291-Y294 CarbonylContact O-C 3.49Å; A291-P295 WeakPolarHBondContact O-CA 3.44Å; A291-I299 HydrophobicContact CB-CB 4.19Å; A291-I299 HydrophobicContact CB-CD1 3.89Å; A291-I299 HydrophobicContact CB-CG1 4.4Å; A291-K317 HydrophobicContact CB-CB 3.62Å; A291-I318 HydrophobicContact CB-CG2 4.2Å
292A82.3Confident91.6Very high54 Ų5435.2 Ų35.245%0.44617%0.173SC..Hα-helixtrans-69.3-34.6170.800000112.6D288 E289 L290 K317D288-A292 PolarHBondContact O-N 3.49Å; E289-A292 PolarHBondContact O-N 3.4Å; L290-A292 VanDerWaalsContact C-N 3.29Å; L290-A292 PolarHBondContact O-N 2.98Å; A292-K317 HydrophobicContact CB-CG 4.21Å
293K86.2Confident91.6Very high111 Ų11129.5 Ų29.548%0.48315%0.148SC..Hα-helixtrans-76.5-38.2-179.8-174.1-178.2174-160.30113.1E289 L290 P295 E478E289-K293 WeakPolarHBondContact O-CB 3.25Å; E289-K293 PolarHBondContact O-N 3.02Å; L290-K293 CarbonylContact O-C 3.57Å; L290-K293 PolarHBondContact O-N 2.94Å; L290-K293 VanDerWaalsContact O-N 3.1Å; K293-P295 WeakPolarHBondContact O-CD 3.35Å; K293-E478 IonicContact NZ-OE1 3.68Å; K293-E478 PolarHBondContact NZ-OE1 2.84Å
294Y83.7Confident91.6Very high35 Ų3529.9 Ų29.914%0.13715%0.151CC..  trans-118.863.6-178.7-60.9-73.3000110.6L290 A291 E296 C297 I477 E478 A481L290-Y294 HydrophobicContact CD2-CD2 4.42Å; L290-Y294 HydrophobicContact CD2-CE2 4.17Å; L290-Y294 PolarHBondContact O-N 2.95Å; A291-Y294 CarbonylContact O-C 3.49Å; Y294-E296 VanDerWaalsContact C-OE2 3.3Å; Y294-E296 WeakPolarHBondContact CA-OE2 3.31Å; Y294-E296 PolarHBondContact O-N 3.26Å; Y294-C297 PolarHBondContact O-N 3.12Å; Y294-I477 HydrophobicContact CD2-CG2 3.66Å; Y294-I477 HydrophobicContact CE2-CG2 4.35Å; Y294-I477 HydrophobicContact CG-CG2 4.18Å; Y294-E478 HydrophobicContact CE2-CG 3.8Å; Y294-E478 VanDerWaalsContact OH-CG 3.23Å; Y294-E478 WeakPolarHBondContact OH-CG 3.01Å; Y294-E478 PolarHBondContact OH-OE1 3.22Å; Y294-A481 HydrophobicContact CD1-CB 3.45Å; Y294-A481 VanDerWaalsContact CD1-CB 3.45Å; Y294-A481 HydrophobicContact CE1-CB 3.93Å; Y294-A481 HydrophobicContact CG-CB 4.08Å
295P70.2Confident91.6Very high5 Ų534 Ų343%0.03217%0.169CC..THydrogen-bonded Turntrans-58.3-30.6-177.325.9-37.1000112.7N211 R212 T215 A291 K293 C297N211-P295 PolarHBondContact ND2-O 3.42Å; N211-P295 VanDerWaalsContact OD1-C 3.32Å; N211-P295 PolarHBondContact OD1-O 2.85Å; R212-P295 VanDerWaalsContact CA-CG 3.48Å; R212-P295 HydrophobicContact CB-CB 3.99Å; R212-P295 HydrophobicContact CB-CG 3.34Å; R212-P295 HydrophobicContact CG-CB 4.2Å; R212-P295 HydrophobicContact CG-CG 3.5Å; R212-P295 VanDerWaalsContact CG-CG 3.5Å; T215-P295 HydrophobicContact CG2-CB 4.37Å; T215-P295 WeakPolarHBondContact OG1-CB 3.39Å; A291-P295 WeakPolarHBondContact O-CA 3.44Å; K293-P295 WeakPolarHBondContact O-CD 3.35Å; P295-C297 PolarHBondContact O-N 3.07Å
296E71.6Confident91.5Very high28 Ų2833.4 Ų33.413%0.13118%0.182CC..THydrogen-bonded Turntrans-61.2-7.417475.2-82.1-166.400114.8A208 N211 S264 P265 Y294A208-E296 HydrophobicContact CB-CB 4.17Å; A208-E296 HydrophobicContact CB-CG 4.41Å; N211-E296 HydrophobicContact CB-CB 4.29Å; S264-E296 PolarHBondContact OG-O 3.12Å; P265-E296 VanDerWaalsContact CD-O 3.25Å; P265-E296 WeakPolarHBondContact CD-O 3.13Å; P265-E296 WeakPolarHBondContact CG-O 3.36Å; Y294-E296 VanDerWaalsContact C-OE2 3.3Å; Y294-E296 WeakPolarHBondContact CA-OE2 3.31Å; Y294-E296 PolarHBondContact O-N 3.26Å
297C86.4Confident91.5Very high4 Ų430.9 Ų30.93%0.02717%0.174CC..SBendtrans-116.7128.8175.4-62.70000110.2P265 Y294 P295 I299 L480P265-C297 WeakPolarHBondContact O-CA 3.29Å; Y294-C297 PolarHBondContact O-N 3.12Å; P295-C297 PolarHBondContact O-N 3.07Å; C297-I299 PolarHBondContact O-N 3.25Å; C297-L480 HydrophobicContact CB-CD2 3.93Å
298S89.3Confident91.6Very high41 Ų4131 Ų3129%0.28718%0.175SC..EExtended strand (participates in β ladder)trans-78.1123.7168.5-64.70000109.4P265 F266 F267P265-S298 PolarHBondContact O-N 2.9Å; F266-S298 CarbonylContact C-O 3.56Å; F266-S298 WeakPolarHBondContact CA-O 3.43Å; F266-S298 VanDerWaalsContact CB-O 3.31Å; F266-S298 WeakPolarHBondContact CB-O 3.49Å; F267-S298 PolarHBondContact N-O 2.76Å
299I94.6Very high91.6Very high3 Ų332.1 Ų32.12%0.01519%0.187CC..EExtended strand (participates in β ladder)trans-110.7121178.9-61.2171.5000109.5F267 A287 L290 A291 C297 I318 I319 I477F267-I299 WeakPolarHBondContact O-CA 3.19Å; A287-I299 HydrophobicContact CB-CG2 4.06Å; L290-I299 HydrophobicContact CB-CD1 4.03Å; A291-I299 HydrophobicContact CB-CB 4.19Å; A291-I299 HydrophobicContact CB-CD1 3.89Å; A291-I299 HydrophobicContact CB-CG1 4.4Å; C297-I299 PolarHBondContact O-N 3.25Å; I299-I318 HydrophobicContact CB-CG2 4.38Å; I299-I318 HydrophobicContact CG2-CG2 4.08Å; I299-I318 WeakPolarHBondContact O-CA 3.42Å; I299-I319 PolarHBondContact O-N 3.03Å; I299-I477 HydrophobicContact CD1-CD1 3.62Å; I299-I477 HydrophobicContact CD1-CG1 4.06Å; I299-I477 HydrophobicContact CD1-CG2 3.79Å; I299-I477 HydrophobicContact CG1-CD1 4.27Å; I299-I477 HydrophobicContact CG1-CG1 4.47Å; I299-I477 HydrophobicContact CG2-CD1 4.28Å
300L97.8Very high91.7Very high13 Ų1329.5 Ų29.57%0.06818%0.18CC..EExtended strand (participates in β ladder)trans-108.1136.1-179.4-6481.7000109F266 F267 V268 F269 I319 A349 I379F266-L300 HydrophobicContact CB-CD1 3.88Å; F266-L300 HydrophobicContact CD2-CD1 4.15Å; F266-L300 HydrophobicContact CG-CD1 4.38Å; F267-L300 PolarHBondContact O-N 2.65Å; V268-L300 WeakPolarHBondContact CA-O 3.4Å; V268-L300 HydrophobicContact CB-CB 4.38Å; V268-L300 HydrophobicContact CG1-CB 4.12Å; V268-L300 HydrophobicContact CG2-CB 4.11Å; V268-L300 HydrophobicContact CG2-CD1 4.31Å; V268-L300 HydrophobicContact CG2-CD2 4.34Å; V268-L300 HydrophobicContact CG2-CG 4.48Å; F269-L300 PolarHBondContact N-O 2.91Å; L300-I319 WeakPolarHBondContact CA-O 3.12Å; L300-I319 HydrophobicContact CD1-CD1 4.47Å; L300-I319 HydrophobicContact CD2-CG2 4.32Å; L300-I319 HydrophobicContact CG-CB 3.99Å; L300-I319 HydrophobicContact CG-CD1 4.35Å; L300-I319 HydrophobicContact CG-CG2 4.16Å; L300-A349 HydrophobicContact CD2-CB 3.99Å; L300-I379 HydrophobicContact CD2-CD1 3.66Å
301V98.5Very high91.9Very high0 Ų029.6 Ų29.60%018%0.18CC..EExtended strand (participates in β ladder)trans-122.8114.6174.1-1750000108.9F269 L280 A284 A287 V303 I318 I319 T321F269-V301 HydrophobicContact CD1-CG1 4.09Å; F269-V301 WeakPolarHBondContact O-CA 3.37Å; L280-V301 HydrophobicContact CD1-CG1 4.38Å; A284-V301 HydrophobicContact CB-CG1 4.36Å; A287-V301 HydrophobicContact CB-CG2 3.66Å; V301-V303 HydrophobicContact CG1-CG1 3.99Å; V301-I318 HydrophobicContact CB-CD1 3.93Å; V301-I318 HydrophobicContact CG2-CB 4.27Å; V301-I318 HydrophobicContact CG2-CD1 3.63Å; V301-I318 HydrophobicContact CG2-CG2 4.13Å; V301-I319 PolarHBondContact N-O 3.38Å; V301-T321 PolarHBondContact O-N 3.43Å
302T98.5Very high92.4Very high0 Ų033 Ų330%019%0.194CC..EExtended strand (participates in β ladder)trans-78.8131.2176.5-530000110.1F269 P271 T321 Q323 F351F269-T302 PolarHBondContact O-N 3.38Å; P271-T302 WeakPolarHBondContact CD-O 3.14Å; P271-T302 VanDerWaalsContact CG-O 3.29Å; P271-T302 WeakPolarHBondContact CG-O 3.26Å; T302-T321 CarbonylContact C-O 3.58Å; T302-T321 VanDerWaalsContact CA-O 3.28Å; T302-T321 WeakPolarHBondContact CA-O 3.38Å; T302-T321 HydrophobicContact CG2-CG2 4.49Å; T302-Q323 HydrophobicContact CG2-CB 4.32Å; T302-Q323 HydrophobicContact CG2-CG 3.55Å; T302-F351 HydrophobicContact CG2-CD2 4.14Å; T302-F351 WeakPolarHBondContact OG1-CD2 3.34Å; T302-F351 VanDerWaalsContact OG1-CE2 3.24Å; T302-F351 WeakPolarHBondContact OG1-CE2 2.89Å
303V98.4Very high93.1Very high0 Ų038.9 Ų38.90%021%0.212CC..EExtended strand (participates in β ladder)trans-134.7148.4-175.5-52.10000111.7L280 V301 D307 I308 V311 V320 T321L280-V303 HydrophobicContact CD2-CB 3.9Å; L280-V303 HydrophobicContact CD2-CG1 3.88Å; L280-V303 HydrophobicContact CG-CG1 4.37Å; V301-V303 HydrophobicContact CG1-CG1 3.99Å; V303-D307 HydrophobicContact CB-CB 4.14Å; V303-D307 HydrophobicContact CG2-CB 4.48Å; V303-I308 HydrophobicContact CG2-CB 4.16Å; V303-I308 HydrophobicContact CG2-CG1 3.54Å; V303-V311 HydrophobicContact CG1-CB 4.46Å; V303-V311 HydrophobicContact CG1-CG1 4.4Å; V303-V311 HydrophobicContact CG1-CG2 4.12Å; V303-V320 HydrophobicContact CG2-CG1 3.76Å; V303-T321 PolarHBondContact N-O 3.25Å
304P97.8Very high93.6Very high23 Ų2335.5 Ų35.515%0.14921%0.205CC..  trans-55.7153168.7-23.633.9000111.6A306 D307 I308P304-A306 PolarHBondContact O-N 2.92Å; P304-A306 VanDerWaalsContact O-N 3.1Å; P304-D307 WeakPolarHBondContact CG-OD2 3.28Å; P304-D307 PolarHBondContact O-N 3.3Å; P304-I308 PolarHBondContact O-N 3.25Å
305F97.5Very high94.2Very high87 Ų8734 Ų3438%0.38220%0.2SC..THydrogen-bonded Turntrans-57.2-34.4-173.6-48.6-57.2000113.9D307 I308 Q323 H324 V337 I342F305-D307 VanDerWaalsContact C-N 3.26Å; F305-D307 PolarHBondContact O-N 3.44Å; F305-I308 HydrophobicContact CD1-CD1 4.42Å; F305-Q323 HydrophobicContact CE1-CB 4.29Å; F305-Q323 HydrophobicContact CZ-CB 4.36Å; F305-H324 HydrophobicContact CE1-CB 4.23Å; F305-H324 WeakPolarHBondContact CE1-O 3.48Å; F305-H324 HydrophobicContact CZ-CB 3.89Å; F305-V337 HydrophobicContact CD1-CG1 4.05Å; F305-V337 HydrophobicContact CD2-CG2 4.27Å; F305-V337 HydrophobicContact CE1-CG1 3.9Å; F305-V337 HydrophobicContact CE1-CG2 4.05Å; F305-V337 HydrophobicContact CE2-CG2 3.76Å; F305-V337 HydrophobicContact CZ-CG1 4.38Å; F305-V337 HydrophobicContact CZ-CG2 3.67Å; F305-I342 HydrophobicContact CD1-CG2 4.37Å
306A96.8Very high95Very high84 Ų8441.3 Ų41.369%0.69423%0.233SC*.THydrogen-bonded Turntrans-70.6-22.117800000113.2P304 P310P304-A306 PolarHBondContact O-N 2.92Å; P304-A306 VanDerWaalsContact O-N 3.1Å; A306-P310 WeakPolarHBondContact O-CD 3.48Å
307D98.4Very high95.7Very high19 Ų1943.9 Ų43.910%0.10224%0.244CC..THydrogen-bonded Turntrans-95.8-9.7-176.1-65.7-54.4000113.1G277 L280 V303 P304 F305 A309 P310 V311G277-D307 WeakPolarHBondContact CA-OD1 3.2Å; G277-D307 PolarHBondContact N-OD1 2.97Å; G277-D307 VanDerWaalsContact N-OD1 3.07Å; G277-D307 PolarHBondContact N-OD2 3.46Å; L280-D307 HydrophobicContact CD2-CB 4.19Å; V303-D307 HydrophobicContact CB-CB 4.14Å; V303-D307 HydrophobicContact CG2-CB 4.48Å; P304-D307 WeakPolarHBondContact CG-OD2 3.28Å; P304-D307 PolarHBondContact O-N 3.3Å; F305-D307 VanDerWaalsContact C-N 3.26Å; F305-D307 PolarHBondContact O-N 3.44Å; D307-A309 PolarHBondContact O-N 2.89Å; D307-P310 WeakPolarHBondContact O-CD 3.32Å; D307-V311 VanDerWaalsContact O-CB 3.32Å; D307-V311 WeakPolarHBondContact O-CB 3.41Å; D307-V311 VanDerWaalsContact O-CG2 3.3Å; D307-V311 WeakPolarHBondContact O-CG2 3.45Å; D307-V311 PolarHBondContact O-N 2.86Å
308I98.7Very high96.1Very high1 Ų144 Ų441%0.00524%0.244CC..Hα-helixtrans-54.4-52.4179.2-61.9172.4000111.3V303 P304 F305 K312 V320 A322 I342 A345 A347V303-I308 HydrophobicContact CG2-CB 4.16Å; V303-I308 HydrophobicContact CG2-CG1 3.54Å; P304-I308 PolarHBondContact O-N 3.25Å; F305-I308 HydrophobicContact CD1-CD1 4.42Å; I308-K312 WeakPolarHBondContact O-CB 3.33Å; I308-K312 PolarHBondContact O-N 2.72Å; I308-V320 HydrophobicContact CB-CG1 4.44Å; I308-V320 HydrophobicContact CG2-CG1 3.93Å; I308-A322 HydrophobicContact CD1-CB 4.04Å; I308-I342 HydrophobicContact CD1-CB 3.99Å; I308-I342 HydrophobicContact CD1-CG2 3.82Å; I308-A345 HydrophobicContact CB-CB 3.94Å; I308-A345 HydrophobicContact CG2-CB 3.58Å; I308-A347 HydrophobicContact CD1-CB 4.3Å; I308-A347 HydrophobicContact CG2-CB 3.99Å
309A98.6Very high96.3Very high47 Ų4744.7 Ų44.739%0.38824%0.244SC..Hα-helixtrans-69.9-47.5-176.700000113.1D307 V311 K312 Q313 A345D307-A309 PolarHBondContact O-N 2.89Å; A309-V311 VanDerWaalsContact C-N 3.33Å; A309-V311 PolarHBondContact O-N 2.65Å; A309-K312 PolarHBondContact O-N 2.67Å; A309-Q313 WeakPolarHBondContact O-CB 3.26Å; A309-Q313 PolarHBondContact O-N 3.36Å; A309-A345 WeakPolarHBondContact CA-O 3.24Å; A309-A345 HydrophobicContact CB-CB 4.31Å
310P98.5Very high96.5Very high56 Ų5644.7 Ų44.736%0.36424%0.244SC..Hα-helixtrans-56.3-43.6173.8-27.434.2000113.6A306 D307 A314A306-P310 WeakPolarHBondContact O-CD 3.48Å; D307-P310 WeakPolarHBondContact O-CD 3.32Å; P310-A314 WeakPolarHBondContact O-CB 3.23Å; P310-A314 PolarHBondContact O-N 2.94Å
311V98.6Very high96.5Very high2 Ų244.1 Ų44.11%0.01224%0.241CC..Hα-helixtrans-66.5-50.5178171.90000110.1L281 A284 V303 D307 A309 Q313 A314 T315 I318 V320L281-V311 HydrophobicContact CD1-CB 4.48Å; L281-V311 HydrophobicContact CD1-CG2 3.92Å; A284-V311 HydrophobicContact CB-CG1 3.75Å; A284-V311 HydrophobicContact CB-CG2 4.26Å; V303-V311 HydrophobicContact CG1-CB 4.46Å; V303-V311 HydrophobicContact CG1-CG1 4.4Å; V303-V311 HydrophobicContact CG1-CG2 4.12Å; D307-V311 VanDerWaalsContact O-CB 3.32Å; D307-V311 WeakPolarHBondContact O-CB 3.41Å; D307-V311 VanDerWaalsContact O-CG2 3.3Å; D307-V311 WeakPolarHBondContact O-CG2 3.45Å; D307-V311 PolarHBondContact O-N 2.86Å; A309-V311 VanDerWaalsContact C-N 3.33Å; A309-V311 PolarHBondContact O-N 2.65Å; V311-Q313 PolarHBondContact O-N 2.61Å; V311-A314 CarbonylContact O-C 3.56Å; V311-A314 PolarHBondContact O-N 2.91Å; V311-T315 HydrophobicContact CG1-CG2 4.23Å; V311-T315 PolarHBondContact O-N 2.75Å; V311-T315 VanDerWaalsContact O-N 3.09Å; V311-T315 PolarHBondContact O-OG1 2.72Å; V311-I318 HydrophobicContact CG1-CD1 3.92Å; V311-V320 HydrophobicContact CG1-CG2 3.99Å
312K97.4Very high96.5Very high80 Ų8044.1 Ų44.135%0.34824%0.241SC..Hα-helixtrans-59.2-35.2179.6-179.258.6-168.4160.80112.8I308 A309 A314 V320I308-K312 WeakPolarHBondContact O-CB 3.33Å; I308-K312 PolarHBondContact O-N 2.72Å; A309-K312 PolarHBondContact O-N 2.67Å; K312-A314 VanDerWaalsContact C-N 3.28Å; K312-A314 PolarHBondContact O-N 2.88Å; K312-V320 HydrophobicContact CB-CG2 4.07Å; K312-V320 HydrophobicContact CD-CG2 4.17Å
313Q97.6Very high96.5Very high178 Ų17846.1 Ų46.183%0.83225%0.25SS*.Hα-helixtrans-68.6-28.1176.9-174.7176.46.800112.7A309 V311A309-Q313 WeakPolarHBondContact O-CB 3.26Å; A309-Q313 PolarHBondContact O-N 3.36Å; V311-Q313 PolarHBondContact O-N 2.61Å
314A97.8Very high96.5Very high40 Ų4046.5 Ų46.533%0.33125%0.252SS..Hα-helixtrans-97.6-3.1-175.900000114.2L281 P310 V311 K312L281-A314 HydrophobicContact CD1-CB 3.65Å; P310-A314 WeakPolarHBondContact O-CB 3.23Å; P310-A314 PolarHBondContact O-N 2.94Å; V311-A314 CarbonylContact O-C 3.56Å; V311-A314 PolarHBondContact O-N 2.91Å; K312-A314 VanDerWaalsContact C-N 3.28Å; K312-A314 PolarHBondContact O-N 2.88Å
315T95.8Very high96.5Very high4 Ų445.4 Ų45.43%0.02525%0.245CC..  trans-137142.8-173.864.10000111.9A284 D288 V311 I318A284-T315 HydrophobicContact CB-CG2 4.37Å; D288-T315 HydrophobicContact CB-CG2 3.97Å; D288-T315 WeakPolarHBondContact OD1-CB 3.18Å; D288-T315 WeakPolarHBondContact OD2-CA 3.47Å; V311-T315 HydrophobicContact CG1-CG2 4.23Å; V311-T315 PolarHBondContact O-N 2.75Å; V311-T315 VanDerWaalsContact O-N 3.09Å; V311-T315 PolarHBondContact O-OG1 2.72Å; T315-I318 HydrophobicContact CG2-CD1 3.76Å; T315-I318 HydrophobicContact CG2-CG1 4.1Å; T315-I318 WeakPolarHBondContact OG1-CG1 3.36Å
316E87.3Confident96.6Very high157 Ų15742.1 Ų42.173%0.73423%0.232SC*.SBendtrans-106.5-37-176-66.4-174.1-178.500113.8D288D288-E316 PolarHBondContact OD1-N 3.32Å; D288-E316 VanDerWaalsContact OD1-N 3.16Å; D288-E316 PolarHBondContact OD2-N 3.05Å
317K85.6Confident96.6Very high83 Ų8338.7 Ų38.736%0.36121%0.205SC..SBendtrans-105.4-34.8-164.5-57.5-56.8-177.9-176.90114T215 D288 A291 A292T215-K317 PolarHBondContact O-NZ 3.46Å; D288-K317 WeakPolarHBondContact OD1-CA 3.25Å; D288-K317 WeakPolarHBondContact OD1-CB 3.34Å; D288-K317 PolarHBondContact OD1-N 3.24Å; A291-K317 HydrophobicContact CB-CB 3.62Å; A292-K317 HydrophobicContact CB-CG 4.21Å
318I94.7Very high96.6Very high5 Ų539.9 Ų39.93%0.02621%0.21CC..SBendtrans-65.2149.917760170.2000111.9A284 A287 D288 A291 I299 V301 V311 T315 V320A284-I318 HydrophobicContact CB-CD1 4.12Å; A287-I318 HydrophobicContact CB-CG2 3.8Å; D288-I318 HydrophobicContact CB-CG2 4.22Å; D288-I318 PolarHBondContact OD1-N 3.38Å; A291-I318 HydrophobicContact CB-CG2 4.2Å; I299-I318 HydrophobicContact CB-CG2 4.38Å; I299-I318 HydrophobicContact CG2-CG2 4.08Å; I299-I318 WeakPolarHBondContact O-CA 3.42Å; V301-I318 HydrophobicContact CB-CD1 3.93Å; V301-I318 HydrophobicContact CG2-CB 4.27Å; V301-I318 HydrophobicContact CG2-CD1 3.63Å; V301-I318 HydrophobicContact CG2-CG2 4.13Å; V311-I318 HydrophobicContact CG1-CD1 3.92Å; T315-I318 HydrophobicContact CG2-CD1 3.76Å; T315-I318 HydrophobicContact CG2-CG1 4.1Å; T315-I318 WeakPolarHBondContact OG1-CG1 3.36Å; I318-V320 HydrophobicContact CD1-CG2 4.46Å; I318-V320 HydrophobicContact CG1-CG2 4.45Å; I318-V320 PolarHBondContact O-N 3.03Å
319I94.1Very high96.6Very high57 Ų5744.8 Ų44.829%0.29223%0.229SC..EExtended strand (participates in β ladder)trans-86.8109.7168-62.3170000107.2I299 L300 V301 T321 R348 A349I299-I319 PolarHBondContact O-N 3.03Å; L300-I319 WeakPolarHBondContact CA-O 3.12Å; L300-I319 HydrophobicContact CD1-CD1 4.47Å; L300-I319 HydrophobicContact CD2-CG2 4.32Å; L300-I319 HydrophobicContact CG-CB 3.99Å; L300-I319 HydrophobicContact CG-CD1 4.35Å; L300-I319 HydrophobicContact CG-CG2 4.16Å; V301-I319 PolarHBondContact N-O 3.38Å; I319-T321 PolarHBondContact O-N 2.86Å; I319-T321 PolarHBondContact O-OG1 3.43Å; I319-R348 HydrophobicContact CG2-CB 4.13Å; I319-A349 HydrophobicContact CG2-CB 3.85Å
320V98Very high96.5Very high3 Ų346.5 Ų46.52%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-71.7124.3175.4-176.20000108.8V303 I308 V311 K312 I318 A347 R348 A349V303-V320 HydrophobicContact CG2-CG1 3.76Å; I308-V320 HydrophobicContact CB-CG1 4.44Å; I308-V320 HydrophobicContact CG2-CG1 3.93Å; V311-V320 HydrophobicContact CG1-CG2 3.99Å; K312-V320 HydrophobicContact CB-CG2 4.07Å; K312-V320 HydrophobicContact CD-CG2 4.17Å; I318-V320 HydrophobicContact CD1-CG2 4.46Å; I318-V320 HydrophobicContact CG1-CG2 4.45Å; I318-V320 PolarHBondContact O-N 3.03Å; V320-A347 CarbonylContact O-C 3.55Å; V320-A347 VanDerWaalsContact O-CA 3.28Å; V320-A347 WeakPolarHBondContact O-CA 3.4Å; V320-R348 PolarHBondContact O-N 2.88Å; V320-A349 PolarHBondContact O-N 2.91Å
321T98.6Very high96.4Very high0 Ų047.2 Ų47.20%025%0.254CS..EExtended strand (participates in β ladder)trans-114.9128.5-172.3-57.60000110.4V301 T302 V303 I319 A349 F351 I379V301-T321 PolarHBondContact O-N 3.43Å; T302-T321 CarbonylContact C-O 3.58Å; T302-T321 VanDerWaalsContact CA-O 3.28Å; T302-T321 WeakPolarHBondContact CA-O 3.38Å; T302-T321 HydrophobicContact CG2-CG2 4.49Å; V303-T321 PolarHBondContact N-O 3.25Å; I319-T321 PolarHBondContact O-N 2.86Å; I319-T321 PolarHBondContact O-OG1 3.43Å; T321-A349 CarbonylContact C-O 3.57Å; T321-A349 WeakPolarHBondContact CA-O 3.31Å; T321-A349 HydrophobicContact CG2-CB 3.99Å; T321-F351 HydrophobicContact CG2-CD2 3.7Å; T321-F351 HydrophobicContact CG2-CE2 3.99Å; T321-I379 HydrophobicContact CG2-CD1 4.37Å
322A98.7Very high96.2Very high0 Ų059.2 Ų59.20%030%0.299CS..EExtended strand (participates in β ladder)trans-79.6144.617500000111.1I308 H324 I342 A347 A349 V350 F351I308-A322 HydrophobicContact CD1-CB 4.04Å; A322-H324 VanDerWaalsContact C-N 3.26Å; A322-H324 PolarHBondContact O-N 3.44Å; A322-I342 HydrophobicContact CB-CB 4.35Å; A322-I342 HydrophobicContact CB-CD1 3.68Å; A322-I342 HydrophobicContact CB-CG2 4.38Å; A322-A347 HydrophobicContact CB-CB 4.17Å; A322-A349 PolarHBondContact N-O 3.14Å; A322-V350 HydrophobicContact CB-CB 4.39Å; A322-V350 HydrophobicContact CB-CG2 3.96Å; A322-V350 WeakPolarHBondContact O-CA 3.21Å; A322-F351 PolarHBondContact O-N 2.9Å
323Q97.8Very high96Very high42 Ų4256.5 Ų56.520%0.19629%0.294CS..SBendtrans-67.1-23.7176.7-75.2177.3-19.400114.3K272 T302 F305K272-Q323 VanDerWaalsContact C-NE2 3.28Å; K272-Q323 PolarHBondContact O-NE2 3.01Å; T302-Q323 HydrophobicContact CG2-CB 4.32Å; T302-Q323 HydrophobicContact CG2-CG 3.55Å; F305-Q323 HydrophobicContact CE1-CB 4.29Å; F305-Q323 HydrophobicContact CZ-CB 4.36Å
324H98.4Very high95.9Very high8 Ų856.4 Ų56.44%0.03730%0.298CS..  trans-165.9160.2-177.4-177.370.5000110.2F305 A322 D326 V350 F351F305-H324 HydrophobicContact CE1-CB 4.23Å; F305-H324 WeakPolarHBondContact CE1-O 3.48Å; F305-H324 HydrophobicContact CZ-CB 3.89Å; A322-H324 VanDerWaalsContact C-N 3.26Å; A322-H324 PolarHBondContact O-N 3.44Å; H324-D326 IonicContact CD2-OD1 3.85Å; H324-D326 IonicContact CE1-OD1 3.91Å; H324-D326 IonicContact NE2-OD1 3.8Å; H324-D326 PolarHBondContact NE2-OD1 3.25Å; H324-D326 IonicContact NE2-OD2 3.66Å; H324-V350 VanDerWaalsContact C-CG2 3.45Å; H324-F351 WeakPolarHBondContact CA-O 3.39Å
325M98.4Very high95.7Very high0 Ų058.5 Ų58.50%032%0.323CS..  trans-147151.4157.962.1-178.3-77.400110.3P339 I342 V350 L352 R370 A371 I376M325-P339 HydrophobicContact CE-CB 3.36Å; M325-P339 HydrophobicContact CE-CG 3.37Å; M325-I342 HydrophobicContact CB-CD1 3.77Å; M325-I342 HydrophobicContact CG-CD1 4.46Å; M325-I342 HydrophobicContact SD-CD1 4.19Å; M325-V350 HydrophobicContact CB-CG2 4.02Å; M325-V350 HydrophobicContact CG-CB 4.36Å; M325-V350 HydrophobicContact CG-CG1 4.08Å; M325-V350 HydrophobicContact CG-CG2 3.67Å; M325-V350 HydrophobicContact SD-CB 4.19Å; M325-V350 HydrophobicContact SD-CG1 3.65Å; M325-V350 HydrophobicContact SD-CG2 4.13Å; M325-L352 HydrophobicContact CG-CD2 3.8Å; M325-L352 WeakPolarHBondContact O-CD2 3.49Å; M325-R370 HydrophobicContact CE-CB 3.91Å; M325-A371 HydrophobicContact CE-CB 4.18Å; M325-A371 HydrophobicContact SD-CB 3.87Å; M325-I376 HydrophobicContact SD-CD1 4.34Å
326D98.5Very high95.8Very high19 Ų1963 Ų6310%0.10234%0.343CS..  trans-93.9151172.2-67.1-57.9000110.8H324 I328 H336 V337 P339H324-D326 IonicContact CD2-OD1 3.85Å; H324-D326 IonicContact CE1-OD1 3.91Å; H324-D326 IonicContact NE2-OD1 3.8Å; H324-D326 PolarHBondContact NE2-OD1 3.25Å; H324-D326 IonicContact NE2-OD2 3.66Å; D326-I328 HydrophobicContact CB-CG1 4.24Å; D326-I328 HydrophobicContact CB-CG2 4.43Å; D326-I328 PolarHBondContact O-N 3.35Å; D326-H336 HydrophobicContact CB-CB 4.09Å; D326-H336 VanDerWaalsContact CG-ND1 3.31Å; D326-H336 IonicContact OD1-ND1 2.8Å; D326-H336 WeakPolarHBondContact OD2-CA 3.33Å; D326-H336 WeakPolarHBondContact OD2-CB 3.16Å; D326-H336 IonicContact OD2-CG 3.86Å; D326-H336 IonicContact OD2-ND1 3.93Å; D326-H336 PolarHBondContact OD2-ND1 2.76Å; D326-V337 PolarHBondContact N-O 3.31Å; D326-V337 PolarHBondContact OD2-N 3.07Å; D326-P339 WeakPolarHBondContact O-CD 3.21Å; D326-P339 VanDerWaalsContact O-CG 3.25Å; D326-P339 WeakPolarHBondContact O-CG 3.06Å
327G97.7Very high96.3Very high12 Ų1256.7 Ų56.712%0.12432%0.315CS..SBendtrans-74.322.2179.100000115.8Q366G327-Q366 WeakPolarHBondContact O-CG 3.19Å; G327-Q366 PolarHBondContact O-NE2 2.77Å; G327-Q366 VanDerWaalsContact O-NE2 3.15Å
328I97.7Very high96.9Very high43 Ų4355 Ų5522%0.22131%0.31CS..PPolyproline II helixtrans-82.6162.3-175.260.9159000112.5D326 H336 L338 P339 R370D326-I328 HydrophobicContact CB-CG1 4.24Å; D326-I328 HydrophobicContact CB-CG2 4.43Å; D326-I328 PolarHBondContact O-N 3.35Å; I328-H336 HydrophobicContact CD1-CB 3.6Å; I328-H336 HydrophobicContact CG1-CB 4.32Å; I328-L338 HydrophobicContact CD1-CD1 3.98Å; I328-L338 HydrophobicContact CG1-CD1 4.06Å; I328-P339 WeakPolarHBondContact O-CD 3.39Å; I328-P339 WeakPolarHBondContact O-CG 3.1Å; I328-R370 PolarHBondContact O-NE 3.42Å
329Y98.1Very high97.1Very high104 Ų10454.7 Ų54.741%0.40831%0.309SS..PPolyproline II helixtrans-103.2161.1166.6-68.7-87000109.7G331 R370 E373Y329-G331 PolarHBondContact O-N 3.04Å; Y329-R370 VanDerWaalsContact CE1-CD 3.46Å; Y329-R370 VanDerWaalsContact CE1-CZ 3.49Å; Y329-E373 WeakPolarHBondContact CE1-OE2 3.4Å; Y329-E373 PolarHBondContact OH-OE1 2.99Å; Y329-E373 PolarHBondContact OH-OE2 3.23Å
330P97.7Very high97.3Very high83 Ų8354.6 Ų54.654%0.53931%0.307SS..SBendtrans-52.3122.4174-27.835.7000111.6L338 E340P330-L338 HydrophobicContact CG-CD1 4.21Å; P330-L338 HydrophobicContact CG-CD2 4.45Å; P330-E340 WeakPolarHBondContact CD-OE1 3.35Å; P330-E340 HydrophobicContact CG-CG 4.26Å; P330-E340 WeakPolarHBondContact CG-OE1 3.3Å
331G96.2Very high97.3Very high71 Ų7158 Ų5873%0.73233%0.331SS*.SBendtrans153.2-141.4-17400000113.4Y329 G333Y329-G331 PolarHBondContact O-N 3.04Å; G331-G333 PolarHBondContact O-N 3.43Å
332R94.7Very high97.3Very high254 Ų25458.2 Ų58.296%0.95833%0.332SS*.SBendtrans-66.7122.5176.5-69.7-177.5177-111.60.4109.7
333G93.2Very high97.2Very high24 Ų2461.7 Ų61.725%0.24735%0.346CS..  trans168.340.8-179.800000113.1G331 G335 H336G331-G333 PolarHBondContact O-N 3.43Å; G333-G335 PolarHBondContact O-N 3.07Å; G333-H336 WeakPolarHBondContact O-CB 3.27Å; G333-H336 PolarHBondContact O-N 2.94Å
334I94.9Very high97.2Very high176 Ų17667.8 Ų67.890%0.90337%0.373SS*.THydrogen-bonded Turntrans-56.8130.1-177.9-167168.7000110.9H336I334-H336 VanDerWaalsContact C-N 3.28Å; I334-H336 PolarHBondContact O-N 2.96Å
335G94.5Very high97.2Very high83 Ų8368.5 Ų68.586%0.85638%0.381SS*.THydrogen-bonded Turntrans82.9-7.2-17800000115.4G333G333-G335 PolarHBondContact O-N 3.07Å
336H97.2Very high97Very high98 Ų9868.9 Ų68.945%0.45439%0.385SS..SBendtrans-81151.4170-72.2-82.8000111.5D326 I328 G333 I334 L338D326-H336 HydrophobicContact CB-CB 4.09Å; D326-H336 VanDerWaalsContact CG-ND1 3.31Å; D326-H336 IonicContact OD1-ND1 2.8Å; D326-H336 WeakPolarHBondContact OD2-CA 3.33Å; D326-H336 WeakPolarHBondContact OD2-CB 3.16Å; D326-H336 IonicContact OD2-CG 3.86Å; D326-H336 IonicContact OD2-ND1 3.93Å; D326-H336 PolarHBondContact OD2-ND1 2.76Å; I328-H336 HydrophobicContact CD1-CB 3.6Å; I328-H336 HydrophobicContact CG1-CB 4.32Å; G333-H336 WeakPolarHBondContact O-CB 3.27Å; G333-H336 PolarHBondContact O-N 2.94Å; I334-H336 VanDerWaalsContact C-N 3.28Å; I334-H336 PolarHBondContact O-N 2.96Å; H336-L338 PolarHBondContact O-N 3.15Å
337V98.1Very high96.9Very high25 Ų2568 Ų6815%0.15238%0.38CS..  trans-85.8100.1177.7-176.40000108.8F305 D326 I342F305-V337 HydrophobicContact CD1-CG1 4.05Å; F305-V337 HydrophobicContact CD2-CG2 4.27Å; F305-V337 HydrophobicContact CE1-CG1 3.9Å; F305-V337 HydrophobicContact CE1-CG2 4.05Å; F305-V337 HydrophobicContact CE2-CG2 3.76Å; F305-V337 HydrophobicContact CZ-CG1 4.38Å; F305-V337 HydrophobicContact CZ-CG2 3.67Å; D326-V337 PolarHBondContact N-O 3.31Å; D326-V337 PolarHBondContact OD2-N 3.07Å; V337-I342 HydrophobicContact CG1-CG2 3.67Å
338L98.4Very high96.8Very high47 Ų4771.3 Ų71.325%0.24639%0.389CS..  trans-68.5127.1-179-176.873.1000111I328 P330 H336 E340 S341 I342I328-L338 HydrophobicContact CD1-CD1 3.98Å; I328-L338 HydrophobicContact CG1-CD1 4.06Å; P330-L338 HydrophobicContact CG-CD1 4.21Å; P330-L338 HydrophobicContact CG-CD2 4.45Å; H336-L338 PolarHBondContact O-N 3.15Å; L338-E340 VanDerWaalsContact C-N 3.33Å; L338-E340 WeakPolarHBondContact CD1-OE2 3.38Å; L338-E340 HydrophobicContact CD2-CB 4.11Å; L338-E340 HydrophobicContact CG-CB 4.22Å; L338-E340 PolarHBondContact O-N 3.29Å; L338-S341 WeakPolarHBondContact O-CB 3.31Å; L338-S341 PolarHBondContact O-N 3.46Å; L338-I342 PolarHBondContact O-N 2.84Å
339P98.6Very high96.8Very high0 Ų069.3 Ų69.30%038%0.378CS..Hα-helixtrans-50.4-47.3176.5-2631.6000113.9M325 D326 I328 S341 I342 Y343 R370 L374M325-P339 HydrophobicContact CE-CB 3.36Å; M325-P339 HydrophobicContact CE-CG 3.37Å; D326-P339 WeakPolarHBondContact O-CD 3.21Å; D326-P339 VanDerWaalsContact O-CG 3.25Å; D326-P339 WeakPolarHBondContact O-CG 3.06Å; I328-P339 WeakPolarHBondContact O-CD 3.39Å; I328-P339 WeakPolarHBondContact O-CG 3.1Å; P339-S341 PolarHBondContact O-N 3.49Å; P339-I342 WeakPolarHBondContact O-CG1 3Å; P339-I342 PolarHBondContact O-N 3.3Å; P339-Y343 PolarHBondContact O-N 2.78Å; P339-Y343 VanDerWaalsContact O-N 3.08Å; P339-R370 HydrophobicContact CB-CB 4.44Å; P339-R370 HydrophobicContact CG-CB 3.94Å; P339-R370 HydrophobicContact CG-CG 4.37Å; P339-L374 HydrophobicContact CB-CD1 3.38Å
340E97.8Very high96.8Very high55 Ų5564.3 Ų64.326%0.25736%0.359SS..Hα-helixtrans-61.7-33.1179.7-7286.4163.100112.6P330 L338 H344 R370 L374P330-E340 WeakPolarHBondContact CD-OE1 3.35Å; P330-E340 HydrophobicContact CG-CG 4.26Å; P330-E340 WeakPolarHBondContact CG-OE1 3.3Å; L338-E340 VanDerWaalsContact C-N 3.33Å; L338-E340 WeakPolarHBondContact CD1-OE2 3.38Å; L338-E340 HydrophobicContact CD2-CB 4.11Å; L338-E340 HydrophobicContact CG-CB 4.22Å; L338-E340 PolarHBondContact O-N 3.29Å; E340-H344 WeakPolarHBondContact O-CB 3.49Å; E340-H344 PolarHBondContact O-N 3.4Å; E340-R370 IonicContact OE1-CZ 3.75Å; E340-R370 IonicContact OE1-NH2 3.74Å; E340-R370 PolarHBondContact OE1-NH2 3.44Å; E340-R370 IonicContact OE2-NH2 2.8Å; E340-R370 PolarHBondContact OE2-NH2 3.14Å; E340-R370 VanDerWaalsContact OE2-NH2 3.08Å; E340-L374 HydrophobicContact CG-CD1 4.28Å; E340-L374 HydrophobicContact CG-CD2 4.43Å
341S98.3Very high96.8Very high73 Ų7360.6 Ų60.651%0.5133%0.334SS..Hα-helixtrans-69.1-44.5-178.4-172.10000111.2L338 P339 A345L338-S341 WeakPolarHBondContact O-CB 3.31Å; L338-S341 PolarHBondContact O-N 3.46Å; P339-S341 PolarHBondContact O-N 3.49Å; S341-A345 WeakPolarHBondContact O-CB 3.32Å; S341-A345 PolarHBondContact O-N 2.85Å
342I98.5Very high97Very high5 Ų557.2 Ų57.23%0.02630%0.3CS..Hα-helixtrans-71.6-36.5178.961.4162.4000111.3F305 I308 A322 M325 V337 L338 P339 A345 G346 A347 V350 I376F305-I342 HydrophobicContact CD1-CG2 4.37Å; I308-I342 HydrophobicContact CD1-CB 3.99Å; I308-I342 HydrophobicContact CD1-CG2 3.82Å; A322-I342 HydrophobicContact CB-CB 4.35Å; A322-I342 HydrophobicContact CB-CD1 3.68Å; A322-I342 HydrophobicContact CB-CG2 4.38Å; M325-I342 HydrophobicContact CB-CD1 3.77Å; M325-I342 HydrophobicContact CG-CD1 4.46Å; M325-I342 HydrophobicContact SD-CD1 4.19Å; V337-I342 HydrophobicContact CG1-CG2 3.67Å; L338-I342 PolarHBondContact O-N 2.84Å; P339-I342 WeakPolarHBondContact O-CG1 3Å; P339-I342 PolarHBondContact O-N 3.3Å; I342-A345 PolarHBondContact O-N 3.16Å; I342-G346 PolarHBondContact O-N 3.35Å; I342-G346 VanDerWaalsContact O-N 3.12Å; I342-A347 HydrophobicContact CB-CB 4.19Å; I342-A347 WeakPolarHBondContact O-CB 3.37Å; I342-A347 PolarHBondContact O-N 2.91Å; I342-V350 HydrophobicContact CD1-CG2 4.35Å; I342-I376 HydrophobicContact CD1-CD1 4.17Å; I342-I376 HydrophobicContact CG1-CD1 4.26Å
343Y96.6Very high97.1Very high74 Ų7445.9 Ų45.929%0.2926%0.258SS..Hα-helixtrans-61-46.9174.8-175.7-89.5000111.3P339 A345 G346 R348 L374 I376P339-Y343 PolarHBondContact O-N 2.78Å; P339-Y343 VanDerWaalsContact O-N 3.08Å; Y343-A345 VanDerWaalsContact C-N 3.34Å; Y343-G346 PolarHBondContact O-N 3.4Å; Y343-G346 VanDerWaalsContact O-N 3.15Å; Y343-R348 PolarHBondContact O-NH1 2.88Å; Y343-L374 HydrophobicContact CD2-CB 4.37Å; Y343-L374 WeakPolarHBondContact CE2-O 3.47Å; Y343-I376 HydrophobicContact CD2-CD1 4.29Å; Y343-I376 HydrophobicContact CD2-CG1 3.83Å
344H97.1Very high97.1Very high169 Ų16945.9 Ų45.978%0.78225%0.251SS*.Hα-helixtrans-63.2-39.7177178.7-80.9000111.9E340 G346E340-H344 WeakPolarHBondContact O-CB 3.49Å; E340-H344 PolarHBondContact O-N 3.4Å; H344-G346 PolarHBondContact O-N 3.21Å
345A98Very high96.9Very high24 Ų2440.2 Ų40.220%0.19823%0.231CC..Hα-helixtrans-65.9-21.5176.200000112.9I308 A309 S341 I342 Y343I308-A345 HydrophobicContact CB-CB 3.94Å; I308-A345 HydrophobicContact CG2-CB 3.58Å; A309-A345 WeakPolarHBondContact CA-O 3.24Å; A309-A345 HydrophobicContact CB-CB 4.31Å; S341-A345 WeakPolarHBondContact O-CB 3.32Å; S341-A345 PolarHBondContact O-N 2.85Å; I342-A345 PolarHBondContact O-N 3.16Å; Y343-A345 VanDerWaalsContact C-N 3.34Å
346G94.6Very high96.7Very high7 Ų742.1 Ų42.17%0.07222%0.218CC..THydrogen-bonded Turntrans125-0.9174.100000115.5I342 Y343 H344I342-G346 PolarHBondContact O-N 3.35Å; I342-G346 VanDerWaalsContact O-N 3.12Å; Y343-G346 PolarHBondContact O-N 3.4Å; Y343-G346 VanDerWaalsContact O-N 3.15Å; H344-G346 PolarHBondContact O-N 3.21Å
347A97.2Very high96.6Very high0 Ų043.9 Ų43.90%022%0.22CC..  trans-66.5140.1178.200000111I308 V320 A322 I342I308-A347 HydrophobicContact CD1-CB 4.3Å; I308-A347 HydrophobicContact CG2-CB 3.99Å; V320-A347 CarbonylContact O-C 3.55Å; V320-A347 VanDerWaalsContact O-CA 3.28Å; V320-A347 WeakPolarHBondContact O-CA 3.4Å; A322-A347 HydrophobicContact CB-CB 4.17Å; I342-A347 HydrophobicContact CB-CB 4.19Å; I342-A347 WeakPolarHBondContact O-CB 3.37Å; I342-A347 PolarHBondContact O-N 2.91Å
348R95.5Very high96.4Very high82 Ų8247.5 Ų47.531%0.30924%0.244SC..  trans-126-6.8175.5-67.8-64.2178.8-84.41.6113.4I319 V320 Y343 E377I319-R348 HydrophobicContact CG2-CB 4.13Å; V320-R348 PolarHBondContact O-N 2.88Å; Y343-R348 PolarHBondContact O-NH1 2.88Å; R348-E377 PolarHBondContact O-N 3.31Å
349A97.5Very high96.4Very high1 Ų146.7 Ų46.71%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-135.6166.3167.300000110.9L300 I319 V320 T321 A322 E377L300-A349 HydrophobicContact CD2-CB 3.99Å; I319-A349 HydrophobicContact CG2-CB 3.85Å; V320-A349 PolarHBondContact O-N 2.91Å; T321-A349 CarbonylContact C-O 3.57Å; T321-A349 WeakPolarHBondContact CA-O 3.31Å; T321-A349 HydrophobicContact CG2-CB 3.99Å; A322-A349 PolarHBondContact N-O 3.14Å; A349-E377 CarbonylContact C-O 3.54Å; A349-E377 WeakPolarHBondContact CA-O 3.49Å; A349-E377 HydrophobicContact CB-CB 4.22Å
350V98.6Very high96.3Very high0 Ų051.2 Ų51.20%027%0.267CS..EExtended strand (participates in β ladder)trans-149141.1179.466.50000112.3A322 H324 M325 I342 L352 I376 E377 T378 I379A322-V350 HydrophobicContact CB-CB 4.39Å; A322-V350 HydrophobicContact CB-CG2 3.96Å; A322-V350 WeakPolarHBondContact O-CA 3.21Å; H324-V350 VanDerWaalsContact C-CG2 3.45Å; M325-V350 HydrophobicContact CB-CG2 4.02Å; M325-V350 HydrophobicContact CG-CB 4.36Å; M325-V350 HydrophobicContact CG-CG1 4.08Å; M325-V350 HydrophobicContact CG-CG2 3.67Å; M325-V350 HydrophobicContact SD-CB 4.19Å; M325-V350 HydrophobicContact SD-CG1 3.65Å; M325-V350 HydrophobicContact SD-CG2 4.13Å; I342-V350 HydrophobicContact CD1-CG2 4.35Å; V350-L352 HydrophobicContact CG1-CD1 4.46Å; V350-L352 HydrophobicContact CG1-CG 4.26Å; V350-L352 HydrophobicContact CG2-CD2 4.39Å; V350-I376 HydrophobicContact CB-CG2 4.04Å; V350-I376 HydrophobicContact CG1-CG2 3.84Å; V350-E377 PolarHBondContact N-O 3.5Å; V350-T378 HydrophobicContact CG1-CG2 4.02Å; V350-I379 PolarHBondContact O-N 3.25Å
351F98.4Very high96.3Very high4 Ų453.6 Ų53.62%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-83.2137.6166-87.6-93.3000111.2V268 T302 T321 A322 H324 I379 L400V268-F351 HydrophobicContact CG1-CE2 3.69Å; V268-F351 HydrophobicContact CG1-CZ 3.8Å; T302-F351 HydrophobicContact CG2-CD2 4.14Å; T302-F351 WeakPolarHBondContact OG1-CD2 3.34Å; T302-F351 VanDerWaalsContact OG1-CE2 3.24Å; T302-F351 WeakPolarHBondContact OG1-CE2 2.89Å; T321-F351 HydrophobicContact CG2-CD2 3.7Å; T321-F351 HydrophobicContact CG2-CE2 3.99Å; A322-F351 PolarHBondContact O-N 2.9Å; H324-F351 WeakPolarHBondContact CA-O 3.39Å; F351-I379 CarbonylContact C-O 2.92Å; F351-I379 VanDerWaalsContact CA-O 3.3Å; F351-I379 WeakPolarHBondContact CA-O 3.42Å; F351-I379 HydrophobicContact CD1-CB 4.24Å; F351-I379 HydrophobicContact CD1-CG2 4.01Å; F351-I379 HydrophobicContact CD2-CD1 4.23Å; F351-I379 HydrophobicContact CE1-CB 4.13Å; F351-I379 HydrophobicContact CE1-CG2 3.51Å; F351-I379 HydrophobicContact CE2-CB 4.4Å; F351-I379 HydrophobicContact CE2-CD1 3.65Å; F351-I379 HydrophobicContact CE2-CG2 4.41Å; F351-I379 HydrophobicContact CG-CB 4.43Å; F351-I379 HydrophobicContact CZ-CB 4.21Å; F351-I379 HydrophobicContact CZ-CD1 3.9Å; F351-I379 HydrophobicContact CZ-CG2 3.74Å; F351-L400 HydrophobicContact CE1-CD2 3.86Å
352L98.5Very high96.3Very high1 Ų153.7 Ų53.71%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-132.5152.7173.6-61.8172.7000110.3M325 V350 H354 M359 L364 A367 I368 T378 I379 V380 C381M325-L352 HydrophobicContact CG-CD2 3.8Å; M325-L352 WeakPolarHBondContact O-CD2 3.49Å; V350-L352 HydrophobicContact CG1-CD1 4.46Å; V350-L352 HydrophobicContact CG1-CG 4.26Å; V350-L352 HydrophobicContact CG2-CD2 4.39Å; L352-H354 PolarHBondContact O-N 2.88Å; L352-H354 VanDerWaalsContact O-N 3.1Å; L352-M359 HydrophobicContact CB-SD 4.05Å; L352-M359 HydrophobicContact CD2-CE 4.39Å; L352-M359 HydrophobicContact CD2-SD 3.89Å; L352-L364 HydrophobicContact CB-CD1 3.71Å; L352-L364 HydrophobicContact CD1-CD1 4.08Å; L352-L364 HydrophobicContact CG-CD1 4.47Å; L352-A367 HydrophobicContact CD1-CB 3.96Å; L352-A367 HydrophobicContact CD2-CB 3.97Å; L352-I368 HydrophobicContact CD1-CG1 3.92Å; L352-T378 HydrophobicContact CD1-CG2 3.97Å; L352-I379 PolarHBondContact N-O 3.26Å; L352-V380 HydrophobicContact CB-CG1 4.44Å; L352-V380 HydrophobicContact CB-CG2 4.14Å; L352-V380 HydrophobicContact CD1-CG2 4.29Å; L352-C381 PolarHBondContact O-N 2.92Å
353N96.8Very high96.2Very high15 Ų1555.3 Ų55.38%0.0830%0.304CS..SBendtrans56.524.1176-161.248.6000115.3M359 L364 V380 C381 E387N353-M359 HydrophobicContact CB-CB 4.48Å; N353-M359 PolarHBondContact OD1-N 3.2Å; N353-L364 HydrophobicContact CB-CD1 4.18Å; N353-L364 HydrophobicContact CB-CD2 4.12Å; N353-V380 HydrophobicContact CB-CG1 4.02Å; N353-C381 PolarHBondContact ND2-O 3.5Å; N353-C381 WeakPolarHBondContact O-CB 3.2Å; N353-E387 PolarHBondContact ND2-OE1 3.42Å
354H94.4Very high96.3Very high24 Ų2452 Ų5211%0.11129%0.292CS..  trans-58.6149.4176.6-175.1-93.8000111L352 E356 R357 P358 C381L352-H354 PolarHBondContact O-N 2.88Å; L352-H354 VanDerWaalsContact O-N 3.1Å; H354-E356 IonicContact CE1-OE1 3.79Å; H354-E356 PolarHBondContact ND1-N 3.47Å; H354-E356 PolarHBondContact O-N 2.97Å; H354-R357 CarbonylContact O-C 3.57Å; H354-R357 VanDerWaalsContact O-CA 3.32Å; H354-R357 WeakPolarHBondContact O-CA 3.42Å; H354-R357 PolarHBondContact O-N 2.95Å; H354-P358 VanDerWaalsContact O-N 3.16Å; H354-C381 VanDerWaalsContact CA-SG 3.54Å
355A90Very high96.4Very high58 Ų5845.9 Ų45.948%0.47927%0.27SS..THydrogen-bonded Turntrans-56-31.1-176.900000113.6R357 I407A355-R357 VanDerWaalsContact C-N 3.31Å; A355-I407 HydrophobicContact CB-CD1 4.45Å
356E91.4Very high96.4Very high122 Ų12247.8 Ų47.857%0.5728%0.275SS*.THydrogen-bonded Turntrans-81.4-7175.1-61.9170.7-145.900113.7K272 H354K272-E356 VanDerWaalsContact CD-OE1 3.32Å; K272-E356 WeakPolarHBondContact CD-OE1 3.27Å; K272-E356 WeakPolarHBondContact CE-OE1 3.4Å; K272-E356 IonicContact NZ-OE1 3.62Å; K272-E356 PolarHBondContact NZ-OE1 3.2Å; H354-E356 IonicContact CE1-OE1 3.79Å; H354-E356 PolarHBondContact ND1-N 3.47Å; H354-E356 PolarHBondContact O-N 2.97Å
357R94.1Very high96.6Very high136 Ų13647.4 Ų47.451%0.51327%0.272SS..SBendtrans-147.963.6-179.6-17162177.6174.51.6110.9H354 A355H354-R357 CarbonylContact O-C 3.57Å; H354-R357 VanDerWaalsContact O-CA 3.32Å; H354-R357 WeakPolarHBondContact O-CA 3.42Å; H354-R357 PolarHBondContact O-N 2.95Å; A355-R357 VanDerWaalsContact C-N 3.31Å
358P95.3Very high96.7Very high101 Ų10147.7 Ų47.766%0.65627%0.273SS*.  trans-66.2149-177.628.1-35.4000111.2H354H354-P358 VanDerWaalsContact O-N 3.16Å
359M97.6Very high96.7Very high30 Ų3048.8 Ų48.815%0.14828%0.28CS..  trans-119.8150.2-179.2-64.2-177.67400111.1L352 N353 A363 L364 A367L352-M359 HydrophobicContact CB-SD 4.05Å; L352-M359 HydrophobicContact CD2-CE 4.39Å; L352-M359 HydrophobicContact CD2-SD 3.89Å; N353-M359 HydrophobicContact CB-CB 4.48Å; N353-M359 PolarHBondContact OD1-N 3.2Å; M359-A363 HydrophobicContact CE-CB 4.06Å; M359-L364 HydrophobicContact CB-CB 4.15Å; M359-L364 HydrophobicContact SD-CD1 4.08Å; M359-A367 HydrophobicContact CE-CB 3.87Å
360T97.4Very high96.7Very high94 Ų9449.1 Ų49.158%0.57728%0.281SS*.  trans-72.7151.1166.667.20000109.4A362 A363 L364T360-A362 PolarHBondContact O-N 2.99Å; T360-A362 VanDerWaalsContact O-N 3.15Å; T360-A363 PolarHBondContact O-N 3.36Å; T360-A363 WeakPolarHBondContact OG1-CB 3.45Å; T360-A363 PolarHBondContact OG1-N 2.96Å; T360-L364 WeakPolarHBondContact O-CB 3.04Å; T360-L364 PolarHBondContact O-N 3.41Å
361V96.8Very high96.6Very high106 Ų10649.1 Ų49.164%0.64228%0.281SS*.Hα-helixtrans-50-42.6176.4173.10000112L364 A365 M394V361-L364 PolarHBondContact O-N 2.9Å; V361-A365 WeakPolarHBondContact O-CB 3.44Å; V361-A365 PolarHBondContact O-N 3.23Å; V361-M394 HydrophobicContact CG1-CE 3.75Å
362A97.6Very high96Very high75 Ų7555.4 Ų55.462%0.6231%0.309SS*.Hα-helixtrans-66.3-41.7178.900000112.8T360 Q366T360-A362 PolarHBondContact O-N 2.99Å; T360-A362 VanDerWaalsContact O-N 3.15Å; A362-Q366 WeakPolarHBondContact O-CB 3.5Å; A362-Q366 PolarHBondContact O-N 3.43Å
363A98.1Very high95.6Very high38 Ų3859.9 Ų59.931%0.31433%0.329SS..Hα-helixtrans-69.1-39.9177.800000111.6M359 T360 Q366 A367M359-A363 HydrophobicContact CE-CB 4.06Å; T360-A363 PolarHBondContact O-N 3.36Å; T360-A363 WeakPolarHBondContact OG1-CB 3.45Å; T360-A363 PolarHBondContact OG1-N 2.96Å; A363-Q366 PolarHBondContact O-N 3.36Å; A363-A367 WeakPolarHBondContact O-CB 3.46Å; A363-A367 PolarHBondContact O-N 2.89Å
364L98.5Very high95.1Very high5 Ų561.3 Ų61.33%0.02634%0.337CS..Hα-helixtrans-64.3-51.8178.8179.857.3000111.5L352 N353 M359 T360 V361 Q366 A367 I368 V380 V391 M394L352-L364 HydrophobicContact CB-CD1 3.71Å; L352-L364 HydrophobicContact CD1-CD1 4.08Å; L352-L364 HydrophobicContact CG-CD1 4.47Å; N353-L364 HydrophobicContact CB-CD1 4.18Å; N353-L364 HydrophobicContact CB-CD2 4.12Å; M359-L364 HydrophobicContact CB-CB 4.15Å; M359-L364 HydrophobicContact SD-CD1 4.08Å; T360-L364 WeakPolarHBondContact O-CB 3.04Å; T360-L364 PolarHBondContact O-N 3.41Å; V361-L364 PolarHBondContact O-N 2.9Å; L364-Q366 PolarHBondContact O-N 3.26Å; L364-A367 PolarHBondContact O-N 3.43Å; L364-I368 HydrophobicContact CD1-CD1 3.96Å; L364-I368 HydrophobicContact CD1-CG1 4.17Å; L364-I368 HydrophobicContact CG-CD1 3.92Å; L364-I368 WeakPolarHBondContact O-CG1 3.4Å; L364-I368 PolarHBondContact O-N 3.48Å; L364-V380 HydrophobicContact CD1-CG1 3.82Å; L364-V380 HydrophobicContact CD1-CG2 4.48Å; L364-V380 HydrophobicContact CD2-CG1 3.98Å; L364-V380 HydrophobicContact CG-CG1 4.44Å; L364-V391 HydrophobicContact CD2-CG2 4.07Å; L364-M394 HydrophobicContact CD2-SD 4.16Å; L364-M394 HydrophobicContact CG-SD 4.2Å
365A98.2Very high94.7Very high40 Ų4062.2 Ų62.233%0.33135%0.353SS..Hα-helixtrans-57.1-40.1177.600000111.8V361 K369 M394V361-A365 WeakPolarHBondContact O-CB 3.44Å; V361-A365 PolarHBondContact O-N 3.23Å; A365-K369 WeakPolarHBondContact O-CB 3.34Å; A365-K369 PolarHBondContact O-N 2.97Å; A365-M394 HydrophobicContact CB-CG 4.5Å; A365-M394 HydrophobicContact CB-SD 4.1Å
366Q98.3Very high94.8Very high64 Ų6459.6 Ų59.630%0.29933%0.331SS..Hα-helixtrans-70.2-37.4177.2-175.462.426.800112.1G327 A362 A363 L364 R370G327-Q366 WeakPolarHBondContact O-CG 3.19Å; G327-Q366 PolarHBondContact O-NE2 2.77Å; G327-Q366 VanDerWaalsContact O-NE2 3.15Å; A362-Q366 WeakPolarHBondContact O-CB 3.5Å; A362-Q366 PolarHBondContact O-N 3.43Å; A363-Q366 PolarHBondContact O-N 3.36Å; L364-Q366 PolarHBondContact O-N 3.26Å; Q366-R370 VanDerWaalsContact O-CG 3.27Å; Q366-R370 WeakPolarHBondContact O-CG 3.47Å; Q366-R370 PolarHBondContact O-N 2.93Å
367A98.8Very high94.8Very high0 Ų057.5 Ų57.50%032%0.321CS..Hα-helixtrans-65.9-45.3175.200000112.3L352 M359 A363 L364 K369 R370 A371L352-A367 HydrophobicContact CD1-CB 3.96Å; L352-A367 HydrophobicContact CD2-CB 3.97Å; M359-A367 HydrophobicContact CE-CB 3.87Å; A363-A367 WeakPolarHBondContact O-CB 3.46Å; A363-A367 PolarHBondContact O-N 2.89Å; L364-A367 PolarHBondContact O-N 3.43Å; A367-K369 VanDerWaalsContact C-N 3.33Å; A367-K369 PolarHBondContact O-N 3.48Å; A367-R370 PolarHBondContact O-N 3.38Å; A367-R370 VanDerWaalsContact O-N 3.14Å; A367-A371 WeakPolarHBondContact O-CB 3.38Å; A367-A371 PolarHBondContact O-N 2.89Å
368I98.2Very high95Very high5 Ų551 Ų513%0.02630%0.296CS..Hα-helixtrans-57.9-47175.2-67.4167.1000110.4L352 L364 R370 A371 K372 V380 M394 G395 A396L352-I368 HydrophobicContact CD1-CG1 3.92Å; L364-I368 HydrophobicContact CD1-CD1 3.96Å; L364-I368 HydrophobicContact CD1-CG1 4.17Å; L364-I368 HydrophobicContact CG-CD1 3.92Å; L364-I368 WeakPolarHBondContact O-CG1 3.4Å; L364-I368 PolarHBondContact O-N 3.48Å; I368-R370 VanDerWaalsContact C-N 3.32Å; I368-R370 PolarHBondContact O-N 3.21Å; I368-A371 PolarHBondContact O-N 3.31Å; I368-K372 PolarHBondContact O-N 3.34Å; I368-V380 HydrophobicContact CD1-CG2 4.11Å; I368-V380 HydrophobicContact CG1-CG2 4.22Å; I368-M394 HydrophobicContact CD1-CB 3.77Å; I368-M394 HydrophobicContact CD1-SD 4.5Å; I368-M394 WeakPolarHBondContact CG2-O 3.44Å; I368-G395 WeakPolarHBondContact CG2-O 3.43Å; I368-A396 HydrophobicContact CD1-CB 4.21Å
369K96.6Very high95.1Very high105 Ų10546.3 Ų46.346%0.45727%0.266SS..Hα-helixtrans-56.1-45.9175.5180-178.6173.1-174.80112.2A365 A367 K372 E373A365-K369 WeakPolarHBondContact O-CB 3.34Å; A365-K369 PolarHBondContact O-N 2.97Å; A367-K369 VanDerWaalsContact C-N 3.33Å; A367-K369 PolarHBondContact O-N 3.48Å; K369-K372 PolarHBondContact O-N 3.48Å; K369-E373 WeakPolarHBondContact CE-OE1 3.38Å; K369-E373 WeakPolarHBondContact O-CG 3.39Å; K369-E373 PolarHBondContact O-N 2.65Å
370R97.9Very high95.1Very high9 Ų944.9 Ų44.93%0.03426%0.259CS..Hα-helixtrans-67-38.4179.8-70.8-62.7-62.7127.26.7112.6M325 I328 Y329 P339 E340 Q366 A367 I368 E373 L374M325-R370 HydrophobicContact CE-CB 3.91Å; I328-R370 PolarHBondContact O-NE 3.42Å; Y329-R370 VanDerWaalsContact CE1-CD 3.46Å; Y329-R370 VanDerWaalsContact CE1-CZ 3.49Å; P339-R370 HydrophobicContact CB-CB 4.44Å; P339-R370 HydrophobicContact CG-CB 3.94Å; P339-R370 HydrophobicContact CG-CG 4.37Å; E340-R370 IonicContact OE1-CZ 3.75Å; E340-R370 IonicContact OE1-NH2 3.74Å; E340-R370 PolarHBondContact OE1-NH2 3.44Å; E340-R370 IonicContact OE2-NH2 2.8Å; E340-R370 PolarHBondContact OE2-NH2 3.14Å; E340-R370 VanDerWaalsContact OE2-NH2 3.08Å; Q366-R370 VanDerWaalsContact O-CG 3.27Å; Q366-R370 WeakPolarHBondContact O-CG 3.47Å; Q366-R370 PolarHBondContact O-N 2.93Å; A367-R370 PolarHBondContact O-N 3.38Å; A367-R370 VanDerWaalsContact O-N 3.14Å; I368-R370 VanDerWaalsContact C-N 3.32Å; I368-R370 PolarHBondContact O-N 3.21Å; R370-E373 WeakPolarHBondContact CD-OE2 3.5Å; R370-E373 IonicContact CZ-OE2 3.71Å; R370-E373 IonicContact NE-OE2 3.75Å; R370-E373 IonicContact NH1-OE2 2.94Å; R370-E373 PolarHBondContact NH1-OE2 3.21Å; R370-E373 PolarHBondContact O-N 2.99Å; R370-L374 PolarHBondContact O-N 3.02Å
371A95.5Very high95.1Very high0 Ų041 Ų410%024%0.235CC..Hα-helixtrans-60.8-47.9175.700000110.6M325 A367 I368 E373 L374 G375 I376 T378M325-A371 HydrophobicContact CE-CB 4.18Å; M325-A371 HydrophobicContact SD-CB 3.87Å; A367-A371 WeakPolarHBondContact O-CB 3.38Å; A367-A371 PolarHBondContact O-N 2.89Å; I368-A371 PolarHBondContact O-N 3.31Å; A371-E373 PolarHBondContact O-N 2.86Å; A371-L374 CarbonylContact O-C 3.53Å; A371-L374 PolarHBondContact O-N 3.01Å; A371-L374 VanDerWaalsContact O-N 3.08Å; A371-G375 PolarHBondContact O-N 2.91Å; A371-I376 CarbonylContact C-O 3.53Å; A371-I376 HydrophobicContact CB-CB 4.11Å; A371-I376 WeakPolarHBondContact CB-O 3.46Å; A371-I376 PolarHBondContact O-N 3.06Å; A371-T378 HydrophobicContact CB-CG2 3.3Å
372K87Confident95Very high136 Ų13636 Ų3659%0.59121%0.205SC*.Hα-helixtrans-59-42.4175.2-172.9169.3-175.3163.90113.2I368 K369 L374 G375I368-K372 PolarHBondContact O-N 3.34Å; K369-K372 PolarHBondContact O-N 3.48Å; K372-L374 PolarHBondContact O-N 2.96Å; K372-G375 PolarHBondContact O-N 3.37Å
373E90Very high94.5Very high95 Ų9536.5 Ų36.544%0.44420%0.197SC..Hα-helixtrans-61.3-27.8176.7-75.5172.5179.100113Y329 K369 R370 A371Y329-E373 WeakPolarHBondContact CE1-OE2 3.4Å; Y329-E373 PolarHBondContact OH-OE1 2.99Å; Y329-E373 PolarHBondContact OH-OE2 3.23Å; K369-E373 WeakPolarHBondContact CE-OE1 3.38Å; K369-E373 WeakPolarHBondContact O-CG 3.39Å; K369-E373 PolarHBondContact O-N 2.65Å; R370-E373 WeakPolarHBondContact CD-OE2 3.5Å; R370-E373 IonicContact CZ-OE2 3.71Å; R370-E373 IonicContact NE-OE2 3.75Å; R370-E373 IonicContact NH1-OE2 2.94Å; R370-E373 PolarHBondContact NH1-OE2 3.21Å; R370-E373 PolarHBondContact O-N 2.99Å; A371-E373 PolarHBondContact O-N 2.86Å
374L86.5Confident94Very high44 Ų4436.6 Ų36.623%0.2320%0.196CC..Hα-helixtrans-101.9-6.1-179.9-66.9177.2000114P339 E340 Y343 R370 A371 K372 I376P339-L374 HydrophobicContact CB-CD1 3.38Å; E340-L374 HydrophobicContact CG-CD1 4.28Å; E340-L374 HydrophobicContact CG-CD2 4.43Å; Y343-L374 HydrophobicContact CD2-CB 4.37Å; Y343-L374 WeakPolarHBondContact CE2-O 3.47Å; R370-L374 PolarHBondContact O-N 3.02Å; A371-L374 CarbonylContact O-C 3.53Å; A371-L374 PolarHBondContact O-N 3.01Å; A371-L374 VanDerWaalsContact O-N 3.08Å; K372-L374 PolarHBondContact O-N 2.96Å; L374-I376 HydrophobicContact CB-CD1 4.19Å; L374-I376 HydrophobicContact CB-CG1 4.13Å; L374-I376 HydrophobicContact CD1-CD1 4.26Å
375G84.8Confident93.6Very high44 Ų4438.5 Ų38.545%0.45421%0.205SC..THydrogen-bonded Turntrans67.640.2-172.800000112.8A371 K372A371-G375 PolarHBondContact O-N 2.91Å; K372-G375 PolarHBondContact O-N 3.37Å
376I92.1Very high93.4Very high2 Ų240.9 Ų40.91%0.0122%0.218CC..  trans-99.1124.7168.2-57.3171.9000107.1M325 I342 Y343 V350 A371 L374M325-I376 HydrophobicContact SD-CD1 4.34Å; I342-I376 HydrophobicContact CD1-CD1 4.17Å; I342-I376 HydrophobicContact CG1-CD1 4.26Å; Y343-I376 HydrophobicContact CD2-CD1 4.29Å; Y343-I376 HydrophobicContact CD2-CG1 3.83Å; V350-I376 HydrophobicContact CB-CG2 4.04Å; V350-I376 HydrophobicContact CG1-CG2 3.84Å; A371-I376 CarbonylContact C-O 3.53Å; A371-I376 HydrophobicContact CB-CB 4.11Å; A371-I376 WeakPolarHBondContact CB-O 3.46Å; A371-I376 PolarHBondContact O-N 3.06Å; L374-I376 HydrophobicContact CB-CD1 4.19Å; L374-I376 HydrophobicContact CB-CG1 4.13Å; L374-I376 HydrophobicContact CD1-CD1 4.26Å
377E92.2Very high93.2Very high78 Ų7840.3 Ų40.336%0.36422%0.215SC..EExtended strand (participates in β ladder)trans-73.7138.1176.9-59.5-73.6176.700110.2K35 R348 A349 V350 D397K35-E377 IonicContact NZ-OE1 2.82Å; K35-E377 PolarHBondContact NZ-OE1 3.03Å; R348-E377 PolarHBondContact O-N 3.31Å; A349-E377 CarbonylContact C-O 3.54Å; A349-E377 WeakPolarHBondContact CA-O 3.49Å; A349-E377 HydrophobicContact CB-CB 4.22Å; V350-E377 PolarHBondContact N-O 3.5Å; E377-D397 VanDerWaalsContact OE2-CB 3.31Å; E377-D397 WeakPolarHBondContact OE2-CB 3.49Å
378T97.5Very high92.9Very high0 Ų040.4 Ų40.40%022%0.215CC..EExtended strand (participates in β ladder)trans-105.5128.3-175.753.30000112.2V350 L352 A371 A396 D397 V398V350-T378 HydrophobicContact CG1-CG2 4.02Å; L352-T378 HydrophobicContact CD1-CG2 3.97Å; A371-T378 HydrophobicContact CB-CG2 3.3Å; T378-A396 WeakPolarHBondContact OG1-CA 3.27Å; T378-D397 PolarHBondContact N-OD2 2.58Å; T378-D397 PolarHBondContact O-N 2.75Å; T378-D397 PolarHBondContact OG1-N 3.01Å; T378-D397 PolarHBondContact OG1-OD2 3.14Å; T378-V398 PolarHBondContact O-N 3.38Å
379I98Very high92.8Very high2 Ų243.5 Ų43.51%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-110.5105.7169.8-52.3164.9000107.2V268 L300 T321 V350 F351 L352 V398 L400 M435V268-I379 HydrophobicContact CG2-CD1 4.33Å; L300-I379 HydrophobicContact CD2-CD1 3.66Å; T321-I379 HydrophobicContact CG2-CD1 4.37Å; V350-I379 PolarHBondContact O-N 3.25Å; F351-I379 CarbonylContact C-O 2.92Å; F351-I379 VanDerWaalsContact CA-O 3.3Å; F351-I379 WeakPolarHBondContact CA-O 3.42Å; F351-I379 HydrophobicContact CD1-CB 4.24Å; F351-I379 HydrophobicContact CD1-CG2 4.01Å; F351-I379 HydrophobicContact CD2-CD1 4.23Å; F351-I379 HydrophobicContact CE1-CB 4.13Å; F351-I379 HydrophobicContact CE1-CG2 3.51Å; F351-I379 HydrophobicContact CE2-CB 4.4Å; F351-I379 HydrophobicContact CE2-CD1 3.65Å; F351-I379 HydrophobicContact CE2-CG2 4.41Å; F351-I379 HydrophobicContact CG-CB 4.43Å; F351-I379 HydrophobicContact CZ-CB 4.21Å; F351-I379 HydrophobicContact CZ-CD1 3.9Å; F351-I379 HydrophobicContact CZ-CG2 3.74Å; L352-I379 PolarHBondContact N-O 3.26Å; I379-V398 WeakPolarHBondContact CA-O 3Å; I379-V398 HydrophobicContact CB-CB 4.37Å; I379-V398 HydrophobicContact CG1-CB 4.06Å; I379-V398 HydrophobicContact CG1-CG2 4.19Å; I379-V398 HydrophobicContact CG2-CB 4.3Å; I379-V398 HydrophobicContact CG2-CG1 4.2Å; I379-L400 HydrophobicContact CG2-CB 4.18Å; I379-M435 HydrophobicContact CG2-SD 4.13Å
380V98.2Very high92.8Very high0 Ų040.5 Ų40.50%022%0.224CC..EExtended strand (participates in β ladder)trans-109.1124.8-173-172.30000109.7L352 N353 L364 I368 V391 A396 V398 L400L352-V380 HydrophobicContact CB-CG1 4.44Å; L352-V380 HydrophobicContact CB-CG2 4.14Å; L352-V380 HydrophobicContact CD1-CG2 4.29Å; N353-V380 HydrophobicContact CB-CG1 4.02Å; L364-V380 HydrophobicContact CD1-CG1 3.82Å; L364-V380 HydrophobicContact CD1-CG2 4.48Å; L364-V380 HydrophobicContact CD2-CG1 3.98Å; L364-V380 HydrophobicContact CG-CG1 4.44Å; I368-V380 HydrophobicContact CD1-CG2 4.11Å; I368-V380 HydrophobicContact CG1-CG2 4.22Å; V380-V391 HydrophobicContact CB-CG1 3.43Å; V380-V391 VanDerWaalsContact CB-CG1 3.43Å; V380-V391 HydrophobicContact CG1-CB 4.32Å; V380-V391 HydrophobicContact CG1-CG1 3.33Å; V380-V391 HydrophobicContact CG1-CG2 3.94Å; V380-V391 HydrophobicContact CG2-CG1 4.03Å; V380-A396 HydrophobicContact CB-CB 4.07Å; V380-A396 HydrophobicContact CG2-CB 3.48Å; V380-A396 VanDerWaalsContact CG2-CB 3.48Å; V380-V398 PolarHBondContact N-O 3.17Å; V380-L400 PolarHBondContact O-N 2.91Å
381C95.9Very high92.7Very high13 Ų1340.1 Ų40.19%0.08822%0.223CC..EExtended strand (participates in β ladder)trans-78.4135.9-180-50.30000110.3L352 N353 H354L352-C381 PolarHBondContact O-N 2.92Å; N353-C381 PolarHBondContact ND2-O 3.5Å; N353-C381 WeakPolarHBondContact O-CB 3.2Å; H354-C381 VanDerWaalsContact CA-SG 3.54Å
382A94.3Very high92.5Very high2 Ų240.3 Ų40.32%0.01723%0.225CC..EExtended strand (participates in β ladder)trans-133.1126.4173.200000109.9E387 A388 I399 L400 E402A382-E387 VanDerWaalsContact CA-OE2 3.32Å; A382-E387 WeakPolarHBondContact CA-OE2 3.49Å; A382-E387 HydrophobicContact CB-CB 4.08Å; A382-E387 HydrophobicContact CB-CG 3.94Å; A382-A388 HydrophobicContact CB-CB 3.86Å; A382-I399 HydrophobicContact CB-CG2 3.99Å; A382-L400 PolarHBondContact N-O 2.91Å; A382-E402 PolarHBondContact O-N 2.96Å
383D87.4Confident92.8Very high84 Ų8441 Ų4145%0.44923%0.231SC..SBendtrans-86.7-8.4-17770.910.4000113.5E387D383-E387 PolarHBondContact N-OE2 3.28Å; D383-E387 VanDerWaalsContact OD1-OE2 3.11Å
384S89.2Confident93.1Very high40 Ų4039 Ų3928%0.2822%0.223SC..SBendtrans-153.5158.7-172.760.10000112E387 A388S384-E387 PolarHBondContact O-N 2.96Å; S384-A388 WeakPolarHBondContact O-CB 3.33Å; S384-A388 PolarHBondContact O-N 3.18Å
385I89.4Confident93.2Very high45 Ų4538.3 Ų38.323%0.23123%0.227CC..Hα-helixtrans-58.1-45.5178.3-65.8170.4000112.1E387 A388 Q389 Q420 T421 A424I385-E387 VanDerWaalsContact C-N 3.32Å; I385-E387 PolarHBondContact O-N 3.4Å; I385-A388 WeakPolarHBondContact O-CB 3.18Å; I385-A388 PolarHBondContact O-N 2.85Å; I385-Q389 HydrophobicContact CG2-CG 4.36Å; I385-Q389 WeakPolarHBondContact O-CG 3.47Å; I385-Q389 PolarHBondContact O-N 3.1Å; I385-Q420 HydrophobicContact CD1-CB 4.04Å; I385-T421 HydrophobicContact CG1-CG2 3.84Å; I385-A424 HydrophobicContact CG2-CB 3.56Å
386P93.1Very high93.7Very high90 Ų9036.3 Ų36.358%0.58421%0.206SC*.Hα-helixtrans-62-37.2177.4-24.836.2000113.4A390P386-A390 WeakPolarHBondContact O-CB 3.42Å; P386-A390 PolarHBondContact O-N 3.32Å
387E94Very high93.5Very high53 Ų5338.6 Ų38.625%0.24822%0.218CC..Hα-helixtrans-67.6-44.3174.8-171.8175.9-150.500110.8N353 A382 D383 S384 I385 Q389 A390 V391N353-E387 PolarHBondContact ND2-OE1 3.42Å; A382-E387 VanDerWaalsContact CA-OE2 3.32Å; A382-E387 WeakPolarHBondContact CA-OE2 3.49Å; A382-E387 HydrophobicContact CB-CB 4.08Å; A382-E387 HydrophobicContact CB-CG 3.94Å; D383-E387 PolarHBondContact N-OE2 3.28Å; D383-E387 VanDerWaalsContact OD1-OE2 3.11Å; S384-E387 PolarHBondContact O-N 2.96Å; I385-E387 VanDerWaalsContact C-N 3.32Å; I385-E387 PolarHBondContact O-N 3.4Å; E387-Q389 VanDerWaalsContact C-N 3.28Å; E387-Q389 PolarHBondContact O-N 2.94Å; E387-A390 PolarHBondContact O-N 3.13Å; E387-A390 VanDerWaalsContact O-N 3.09Å; E387-V391 HydrophobicContact CG-CG2 4.15Å; E387-V391 WeakPolarHBondContact O-CB 3.35Å; E387-V391 VanDerWaalsContact O-CG2 3.28Å; E387-V391 WeakPolarHBondContact O-CG2 3.08Å; E387-V391 PolarHBondContact O-N 3.28Å
388A94.1Very high93.7Very high1 Ų135.4 Ų35.41%0.00820%0.204CC..Hα-helixtrans-56.7-43.8176.300000111.5A382 S384 I385 T392 I399 I425A382-A388 HydrophobicContact CB-CB 3.86Å; S384-A388 WeakPolarHBondContact O-CB 3.33Å; S384-A388 PolarHBondContact O-N 3.18Å; I385-A388 WeakPolarHBondContact O-CB 3.18Å; I385-A388 PolarHBondContact O-N 2.85Å; A388-T392 WeakPolarHBondContact O-CB 3.47Å; A388-T392 PolarHBondContact O-N 3.16Å; A388-T392 PolarHBondContact O-OG1 3.48Å; A388-I399 HydrophobicContact CB-CG2 3.89Å; A388-I425 HydrophobicContact CB-CD1 4.12Å; A388-I425 HydrophobicContact CB-CG1 4.12Å
389Q94.8Very high93.5Very high71 Ų7135.4 Ų35.433%0.33220%0.204SC..Hα-helixtrans-62.7-46.1174.5-71.5-174.8-53.200112.2I385 E387 V391 T392 M393 A424 I428I385-Q389 HydrophobicContact CG2-CG 4.36Å; I385-Q389 WeakPolarHBondContact O-CG 3.47Å; I385-Q389 PolarHBondContact O-N 3.1Å; E387-Q389 VanDerWaalsContact C-N 3.28Å; E387-Q389 PolarHBondContact O-N 2.94Å; Q389-V391 PolarHBondContact O-N 3.43Å; Q389-T392 WeakPolarHBondContact O-CB 3.11Å; Q389-T392 PolarHBondContact O-N 3.46Å; Q389-M393 WeakPolarHBondContact O-CG 3.46Å; Q389-M393 PolarHBondContact O-N 2.96Å; Q389-A424 HydrophobicContact CG-CB 4.22Å; Q389-I428 HydrophobicContact CB-CD1 3.45Å; Q389-I428 VanDerWaalsContact CB-CD1 3.45Å; Q389-I428 HydrophobicContact CG-CD1 3.55Å
390A96Very high93.4Very high41 Ų4135.6 Ų35.634%0.33921%0.205SC..Hα-helixtrans-62.5-43.4179.300000112.1P386 E387 M393 M394P386-A390 WeakPolarHBondContact O-CB 3.42Å; P386-A390 PolarHBondContact O-N 3.32Å; E387-A390 PolarHBondContact O-N 3.13Å; E387-A390 VanDerWaalsContact O-N 3.09Å; A390-M393 WeakPolarHBondContact O-CB 3.43Å; A390-M393 PolarHBondContact O-N 3.34Å; A390-M394 HydrophobicContact CB-CE 4.34Å; A390-M394 WeakPolarHBondContact O-CG 3.04Å; A390-M394 PolarHBondContact O-N 2.69Å; A390-M394 VanDerWaalsContact O-N 3.1Å
391V96.2Very high93.1Very high1 Ų135.6 Ų35.61%0.00621%0.205CC..Hα-helixtrans-66.4-39.9177.9172.60000111.4L364 V380 E387 Q389 M393 M394 G395 A396 I399L364-V391 HydrophobicContact CD2-CG2 4.07Å; V380-V391 HydrophobicContact CB-CG1 3.43Å; V380-V391 VanDerWaalsContact CB-CG1 3.43Å; V380-V391 HydrophobicContact CG1-CB 4.32Å; V380-V391 HydrophobicContact CG1-CG1 3.33Å; V380-V391 HydrophobicContact CG1-CG2 3.94Å; V380-V391 HydrophobicContact CG2-CG1 4.03Å; E387-V391 HydrophobicContact CG-CG2 4.15Å; E387-V391 WeakPolarHBondContact O-CB 3.35Å; E387-V391 VanDerWaalsContact O-CG2 3.28Å; E387-V391 WeakPolarHBondContact O-CG2 3.08Å; E387-V391 PolarHBondContact O-N 3.28Å; Q389-V391 PolarHBondContact O-N 3.43Å; V391-M393 VanDerWaalsContact C-N 3.31Å; V391-M393 PolarHBondContact O-N 3.43Å; V391-M394 WeakPolarHBondContact O-CB 3.35Å; V391-M394 PolarHBondContact O-N 2.86Å; V391-G395 PolarHBondContact O-N 3.35Å; V391-A396 HydrophobicContact CG1-CB 3.59Å; V391-I399 HydrophobicContact CB-CD1 4.18Å; V391-I399 HydrophobicContact CG1-CD1 3.56Å
392T91.8Very high92.4Very high5 Ų536.2 Ų36.23%0.03121%0.207CC..Hα-helixtrans-57.3-46.1172.6-55.40000110.4A388 Q389 M394 G395 I425 I428 D429 N432A388-T392 WeakPolarHBondContact O-CB 3.47Å; A388-T392 PolarHBondContact O-N 3.16Å; A388-T392 PolarHBondContact O-OG1 3.48Å; Q389-T392 WeakPolarHBondContact O-CB 3.11Å; Q389-T392 PolarHBondContact O-N 3.46Å; T392-M394 PolarHBondContact O-N 3Å; T392-G395 PolarHBondContact O-N 3.35Å; T392-I425 HydrophobicContact CG2-CG2 4.19Å; T392-I428 HydrophobicContact CG2-CB 3.98Å; T392-I428 HydrophobicContact CG2-CG2 3.74Å; T392-D429 HydrophobicContact CG2-CB 3.7Å; T392-N432 HydrophobicContact CG2-CB 4.26Å
393M93.7Very high91.7Very high149 Ų14936.4 Ų36.473%0.73421%0.208SC*.Hα-helixtrans-64.4-23.3175.8-68.9-1807600114Q389 A390 V391 G395 I428Q389-M393 WeakPolarHBondContact O-CG 3.46Å; Q389-M393 PolarHBondContact O-N 2.96Å; A390-M393 WeakPolarHBondContact O-CB 3.43Å; A390-M393 PolarHBondContact O-N 3.34Å; V391-M393 VanDerWaalsContact C-N 3.31Å; V391-M393 PolarHBondContact O-N 3.43Å; M393-G395 PolarHBondContact O-N 3.13Å; M393-I428 HydrophobicContact CG-CD1 4.35Å; M393-I428 HydrophobicContact CG-CG2 3.9Å
394M95.2Very high91.1Very high53 Ų5335.8 Ų35.826%0.26121%0.207SC..THydrogen-bonded Turntrans-76.9-10.2173.3-65.7179.4-147.500112.7V361 L364 A365 I368 A390 V391 T392V361-M394 HydrophobicContact CG1-CE 3.75Å; L364-M394 HydrophobicContact CD2-SD 4.16Å; L364-M394 HydrophobicContact CG-SD 4.2Å; A365-M394 HydrophobicContact CB-CG 4.5Å; A365-M394 HydrophobicContact CB-SD 4.1Å; I368-M394 HydrophobicContact CD1-CB 3.77Å; I368-M394 HydrophobicContact CD1-SD 4.5Å; I368-M394 WeakPolarHBondContact CG2-O 3.44Å; A390-M394 HydrophobicContact CB-CE 4.34Å; A390-M394 WeakPolarHBondContact O-CG 3.04Å; A390-M394 PolarHBondContact O-N 2.69Å; A390-M394 VanDerWaalsContact O-N 3.1Å; V391-M394 WeakPolarHBondContact O-CB 3.35Å; V391-M394 PolarHBondContact O-N 2.86Å; T392-M394 PolarHBondContact O-N 3Å
395G90Very high90.6Very high31 Ų3140.6 Ų40.632%0.3223%0.225SC..THydrogen-bonded Turntrans83.235.217800000113.9I368 V391 T392 M393I368-G395 WeakPolarHBondContact CG2-O 3.43Å; V391-G395 PolarHBondContact O-N 3.35Å; T392-G395 PolarHBondContact O-N 3.35Å; M393-G395 PolarHBondContact O-N 3.13Å
396A94.1Very high90.2Very high2 Ų239.8 Ų39.82%0.01722%0.221CC..  trans-64.6150.9166.400000111I368 T378 V380 V391 I399 N432I368-A396 HydrophobicContact CD1-CB 4.21Å; T378-A396 WeakPolarHBondContact OG1-CA 3.27Å; V380-A396 HydrophobicContact CB-CB 4.07Å; V380-A396 HydrophobicContact CG2-CB 3.48Å; V380-A396 VanDerWaalsContact CG2-CB 3.48Å; V391-A396 HydrophobicContact CG1-CB 3.59Å; A396-I399 HydrophobicContact CB-CD1 3.83Å; A396-N432 PolarHBondContact O-ND2 3.48Å
397D89.4Confident89.3Confident49 Ų4938 Ų3826%0.26221%0.206SC..SBendtrans-87.8-35.5-177.6-50.5-73000112.1E377 T378 N432 L433E377-D397 VanDerWaalsContact OE2-CB 3.31Å; E377-D397 WeakPolarHBondContact OE2-CB 3.49Å; T378-D397 PolarHBondContact N-OD2 2.58Å; T378-D397 PolarHBondContact O-N 2.75Å; T378-D397 PolarHBondContact OG1-N 3.01Å; T378-D397 PolarHBondContact OG1-OD2 3.14Å; D397-N432 PolarHBondContact O-OD1 3.28Å; D397-L433 PolarHBondContact O-N 2.61Å
398V94.6Very high88.3Confident12 Ų1238.4 Ų38.47%0.07322%0.224CC..EExtended strand (participates in β ladder)trans-131.4129.7176.7-172.90000110F266 T378 I379 V380 L433 M435F266-V398 HydrophobicContact CE1-CG1 4.47Å; F266-V398 HydrophobicContact CE2-CG1 4.02Å; F266-V398 HydrophobicContact CZ-CG1 3.51Å; F266-V398 HydrophobicContact CZ-CG2 4.3Å; T378-V398 PolarHBondContact O-N 3.38Å; I379-V398 WeakPolarHBondContact CA-O 3Å; I379-V398 HydrophobicContact CB-CB 4.37Å; I379-V398 HydrophobicContact CG1-CB 4.06Å; I379-V398 HydrophobicContact CG1-CG2 4.19Å; I379-V398 HydrophobicContact CG2-CB 4.3Å; I379-V398 HydrophobicContact CG2-CG1 4.2Å; V380-V398 PolarHBondContact N-O 3.17Å; V398-L433 CarbonylContact C-O 3.47Å; V398-L433 VanDerWaalsContact CA-O 3.3Å; V398-L433 WeakPolarHBondContact CA-O 3.16Å; V398-L433 HydrophobicContact CB-CB 4.46Å; V398-L433 HydrophobicContact CG1-CB 4.34Å; V398-L433 HydrophobicContact CG2-CB 4.08Å; V398-L433 HydrophobicContact CG2-CD1 4.26Å; V398-M435 HydrophobicContact CG1-CB 3.79Å
399I95.1Very high87.6Confident0 Ų042.1 Ų42.10%025%0.247CC..EExtended strand (participates in β ladder)trans-97.9117.3169.6-43.1-56.7000109.2A382 A388 V391 A396 C401 I425 N432 L433 M435A382-I399 HydrophobicContact CB-CG2 3.99Å; A388-I399 HydrophobicContact CB-CG2 3.89Å; V391-I399 HydrophobicContact CB-CD1 4.18Å; V391-I399 HydrophobicContact CG1-CD1 3.56Å; A396-I399 HydrophobicContact CB-CD1 3.83Å; I399-C401 PolarHBondContact O-N 3.44Å; I399-I425 HydrophobicContact CB-CD1 3.81Å; I399-I425 HydrophobicContact CG1-CD1 3.96Å; I399-I425 HydrophobicContact CG1-CG1 4.37Å; I399-I425 HydrophobicContact CG1-CG2 4.22Å; I399-I425 HydrophobicContact CG2-CD1 3.94Å; I399-N432 VanDerWaalsContact CG1-OD1 3.31Å; I399-N432 WeakPolarHBondContact CG1-OD1 3.44Å; I399-L433 PolarHBondContact N-O 3.31Å; I399-M435 PolarHBondContact O-N 3.24Å
400L95.6Very high86.8Confident5 Ų540.7 Ų40.73%0.02625%0.251CS..EExtended strand (participates in β ladder)trans-84.9103.3167169.954.8000109F351 I379 V380 A382 E402 M435 A437F351-L400 HydrophobicContact CE1-CD2 3.86Å; I379-L400 HydrophobicContact CG2-CB 4.18Å; V380-L400 PolarHBondContact O-N 2.91Å; A382-L400 PolarHBondContact N-O 2.91Å; L400-E402 HydrophobicContact CD1-CB 4.1Å; L400-E402 HydrophobicContact CG-CB 4.17Å; L400-M435 HydrophobicContact CB-CB 4.44Å; L400-M435 HydrophobicContact CB-SD 4.45Å; L400-M435 HydrophobicContact CD1-CB 4.25Å; L400-M435 HydrophobicContact CD1-CE 4.2Å; L400-M435 HydrophobicContact CD1-CG 3.91Å; L400-M435 HydrophobicContact CD1-SD 4.17Å; L400-M435 HydrophobicContact CD2-CE 4.46Å; L400-A437 HydrophobicContact CD1-CB 3.71Å
401C90.5Very high86.1Confident1 Ų144.9 Ų44.91%0.00726%0.264CS..EExtended strand (participates in β ladder)trans-86.6108.2173.7-63.60000109.6I399 Y417 T421 I425 M435 Q436I399-C401 PolarHBondContact O-N 3.44Å; C401-Y417 HydrophobicContact CB-CE1 4.13Å; C401-T421 HydrophobicContact CB-CG2 4.13Å; C401-I425 VanDerWaalsContact SG-CD1 3.55Å; C401-M435 PolarHBondContact N-O 3.04Å; C401-Q436 PolarHBondContact O-OE1 3.2Å
402E81.8Confident85.6Confident26 Ų2645.9 Ų45.912%0.12127%0.27CS..  trans-144.197.7-174.9-177.2162.1147.200109.8A382 L400 T404 I407 A438A382-E402 PolarHBondContact O-N 2.96Å; L400-E402 HydrophobicContact CD1-CB 4.1Å; L400-E402 HydrophobicContact CG-CB 4.17Å; E402-T404 PolarHBondContact O-N 2.92Å; E402-T404 VanDerWaalsContact O-N 3.17Å; E402-I407 HydrophobicContact CG-CD1 3.81Å; E402-I407 HydrophobicContact CG-CG1 3.62Å; E402-I407 VanDerWaalsContact OE1-CD1 3.24Å; E402-I407 WeakPolarHBondContact OE1-CD1 3.31Å; E402-I407 WeakPolarHBondContact OE1-CG1 3.36Å; E402-A438 HydrophobicContact CB-CB 4.45Å; E402-A438 HydrophobicContact CG-CB 3.8Å
403P80.4Confident85.2Confident6 Ų645.8 Ų45.84%0.03927%0.27CS..  trans-55.3123.4172.4-23.433.4000109.4E405 L406 Y417P403-E405 HydrophobicContact CB-CG 4.4Å; P403-E405 PolarHBondContact O-N 3.19Å; P403-E405 VanDerWaalsContact O-N 3.11Å; P403-L406 HydrophobicContact CB-CD1 4.26Å; P403-L406 HydrophobicContact CB-CG 4.24Å; P403-L406 HydrophobicContact CG-CD1 4.17Å; P403-L406 PolarHBondContact O-N 2.96Å; P403-Y417 WeakPolarHBondContact CD-OH 3.48Å; P403-Y417 HydrophobicContact CG-CD1 4.22Å; P403-Y417 HydrophobicContact CG-CD2 4.26Å; P403-Y417 HydrophobicContact CG-CE1 3.67Å; P403-Y417 HydrophobicContact CG-CE2 3.71Å; P403-Y417 HydrophobicContact CG-CG 4.49Å
404T74.4Confident84.7Confident70 Ų7043.7 Ų43.743%0.42926%0.261SS..G310 helixtrans-60.3-30.3-170.4-62.20000111.8E402 L406 I407E402-T404 PolarHBondContact O-N 2.92Å; E402-T404 VanDerWaalsContact O-N 3.17Å; T404-L406 VanDerWaalsContact C-N 3.25Å; T404-L406 PolarHBondContact O-N 3.28Å; T404-I407 HydrophobicContact CG2-CD1 4.34Å; T404-I407 WeakPolarHBondContact O-CG1 3.35Å; T404-I407 PolarHBondContact O-N 3.07Å
405E78.2Confident84Confident142 Ų14245.6 Ų45.666%0.66427%0.266SS*.G310 helixtrans-68.1-18.5177.666.5-88.9-150.400114.5P403 T409P403-E405 HydrophobicContact CB-CG 4.4Å; P403-E405 PolarHBondContact O-N 3.19Å; P403-E405 VanDerWaalsContact O-N 3.11Å; E405-T409 VanDerWaalsContact O-CG2 3.28Å; E405-T409 WeakPolarHBondContact O-CG2 3.26Å
406L81.7Confident83.6Confident28 Ų2845.3 Ų45.315%0.14726%0.262CS..G310 helixtrans-96.1-7.8179.2-64.2-175000112.9P403 T404 G408 T409 Q411 A438 G439P403-L406 HydrophobicContact CB-CD1 4.26Å; P403-L406 HydrophobicContact CB-CG 4.24Å; P403-L406 HydrophobicContact CG-CD1 4.17Å; P403-L406 PolarHBondContact O-N 2.96Å; T404-L406 VanDerWaalsContact C-N 3.25Å; T404-L406 PolarHBondContact O-N 3.28Å; L406-G408 PolarHBondContact O-N 3.29Å; L406-T409 PolarHBondContact O-N 3.42Å; L406-T409 PolarHBondContact O-OG1 3.19Å; L406-Q411 HydrophobicContact CD2-CB 4.28Å; L406-Q411 HydrophobicContact CD2-CG 4.2Å; L406-A438 HydrophobicContact CB-CB 3.88Å; L406-A438 HydrophobicContact CD1-CB 4.39Å; L406-G439 PolarHBondContact O-N 3.33Å
407I74.3Confident83.2Confident52 Ų5247 Ų4727%0.26727%0.269SS..THydrogen-bonded Turntrans-65.4121.3-176.8-53.9-170.9000110.4A355 E402 T404 T409A355-I407 HydrophobicContact CB-CD1 4.45Å; E402-I407 HydrophobicContact CG-CD1 3.81Å; E402-I407 HydrophobicContact CG-CG1 3.62Å; E402-I407 VanDerWaalsContact OE1-CD1 3.24Å; E402-I407 WeakPolarHBondContact OE1-CD1 3.31Å; E402-I407 WeakPolarHBondContact OE1-CG1 3.36Å; T404-I407 HydrophobicContact CG2-CD1 4.34Å; T404-I407 WeakPolarHBondContact O-CG1 3.35Å; T404-I407 PolarHBondContact O-N 3.07Å; I407-T409 PolarHBondContact O-N 3.02Å
408G72.2Confident82.9Confident61 Ų6144.8 Ų44.863%0.62926%0.257SS*.THydrogen-bonded Turntrans70.88.6176.500000115.2L406L406-G408 PolarHBondContact O-N 3.29Å
409T80.1Confident82.1Confident79 Ų7948.9 Ų48.949%0.48528%0.275SS..SBendtrans-83.1-15.8178.265.90000113.2E405 L406 I407 Q411E405-T409 VanDerWaalsContact O-CG2 3.28Å; E405-T409 WeakPolarHBondContact O-CG2 3.26Å; L406-T409 PolarHBondContact O-N 3.42Å; L406-T409 PolarHBondContact O-OG1 3.19Å; I407-T409 PolarHBondContact O-N 3.02Å; T409-Q411 PolarHBondContact O-N 2.86Å; T409-Q411 WeakPolarHBondContact OG1-CB 3.49Å; T409-Q411 PolarHBondContact OG1-N 3.35Å
410G76.7Confident81.6Confident41 Ų4154.2 Ų54.242%0.42330%0.3SS..SBendtrans74.91.1-168.600000113.5G439G410-G439 CarbonylContact C-O 3.48Å; G410-G439 WeakPolarHBondContact CA-O 3.24Å
411Q83.1Confident81.1Confident130 Ų13054 Ų5461%0.60730%0.299SS*.  trans-97.2113.3174.8-175.8176-2.300109.7L406 T409L406-Q411 HydrophobicContact CD2-CB 4.28Å; L406-Q411 HydrophobicContact CD2-CG 4.2Å; T409-Q411 PolarHBondContact O-N 2.86Å; T409-Q411 WeakPolarHBondContact OG1-CB 3.49Å; T409-Q411 PolarHBondContact OG1-N 3.35Å
412T83.9Confident80.6Confident21 Ų2155.1 Ų55.113%0.12931%0.305CS..PPolyproline II helixtrans-72.9156.117758.40000113.2D414 A438 I440 D445 R448T412-D414 PolarHBondContact O-N 3.48Å; T412-A438 VanDerWaalsContact CA-O 3.31Å; T412-A438 WeakPolarHBondContact CA-O 3.08Å; T412-I440 HydrophobicContact CG2-CD1 3.92Å; T412-D445 HydrophobicContact CG2-CB 3.86Å; T412-D445 WeakPolarHBondContact CG2-OD1 3.45Å; T412-R448 PolarHBondContact OG1-NH1 3.19Å; T412-R448 PolarHBondContact OG1-NH2 3.21Å
413S83.6Confident80.4Confident4 Ų460.7 Ų60.73%0.02833%0.331CS..PPolyproline II helixtrans-49.5137.3167.6-58.70000111.7Q436 R448S413-Q436 PolarHBondContact OG-OE1 2.73Å; S413-R448 PolarHBondContact O-NH1 2.74Å
414D84Confident80.6Confident104 Ų10461.1 Ų61.156%0.55634%0.335SS*.PPolyproline II helixtrans-73.5164.3172.871.445.7000111.2T412 G416 Y417 I418T412-D414 PolarHBondContact O-N 3.48Å; D414-G416 VanDerWaalsContact C-N 3.29Å; D414-G416 PolarHBondContact O-N 2.94Å; D414-G416 WeakPolarHBondContact OD1-CA 3.34Å; D414-G416 PolarHBondContact OD1-N 2.74Å; D414-Y417 PolarHBondContact O-N 2.82Å; D414-Y417 PolarHBondContact OD1-N 2.9Å; D414-I418 WeakPolarHBondContact O-CG1 3.21Å; D414-I418 PolarHBondContact O-N 2.75Å
415R80.8Confident81Confident94 Ų9457.8 Ų57.836%0.35532%0.315SS..Hα-helixtrans-56.7-42.8179.1171.6177.1-68-162.3-1.2112.1Y417 I418 E419 L452 H513R415-Y417 VanDerWaalsContact C-N 3.32Å; R415-Y417 PolarHBondContact O-N 2.83Å; R415-I418 PolarHBondContact O-N 3Å; R415-E419 VanDerWaalsContact CD-OE1 3.27Å; R415-E419 WeakPolarHBondContact CD-OE1 3.42Å; R415-E419 VanDerWaalsContact CG-CD 3.49Å; R415-E419 HydrophobicContact CG-CG 4.12Å; R415-E419 WeakPolarHBondContact CG-OE1 3.3Å; R415-E419 WeakPolarHBondContact O-CB 3.48Å; R415-E419 WeakPolarHBondContact O-CG 3.3Å; R415-E419 PolarHBondContact O-N 3.43Å; R415-L452 HydrophobicContact CB-CD1 4.26Å; R415-L452 HydrophobicContact CB-CD2 3.9Å; R415-L452 HydrophobicContact CG-CD2 3.82Å; R415-H513 PolarHBondContact NH1-CE1 3.11Å; R415-H513 PolarHBondContact NH1-NE2 2.9Å
416G81.7Confident81Confident24 Ų2453.7 Ų53.725%0.24729%0.294CS..Hα-helixtrans-63.8-38.7-17600000112.1D414 Q420D414-G416 VanDerWaalsContact C-N 3.29Å; D414-G416 PolarHBondContact O-N 2.94Å; D414-G416 WeakPolarHBondContact OD1-CA 3.34Å; D414-G416 PolarHBondContact OD1-N 2.74Å; G416-Q420 VanDerWaalsContact O-CB 3.3Å; G416-Q420 WeakPolarHBondContact O-CB 3.47Å; G416-Q420 WeakPolarHBondContact O-CG 3.36Å; G416-Q420 PolarHBondContact O-N 2.9Å; G416-Q420 PolarHBondContact O-NE2 3.45Å; G416-Q420 VanDerWaalsContact O-NE2 3.15Å
417Y84.7Confident80.7Confident39 Ų3956.4 Ų56.415%0.15332%0.321CS..Hα-helixtrans-67-45.6174.6-179.2-95.1000112C401 P403 D414 R415 E419 Q420 T421C401-Y417 HydrophobicContact CB-CE1 4.13Å; P403-Y417 WeakPolarHBondContact CD-OH 3.48Å; P403-Y417 HydrophobicContact CG-CD1 4.22Å; P403-Y417 HydrophobicContact CG-CD2 4.26Å; P403-Y417 HydrophobicContact CG-CE1 3.67Å; P403-Y417 HydrophobicContact CG-CE2 3.71Å; P403-Y417 HydrophobicContact CG-CG 4.49Å; D414-Y417 PolarHBondContact O-N 2.82Å; D414-Y417 PolarHBondContact OD1-N 2.9Å; R415-Y417 VanDerWaalsContact C-N 3.32Å; R415-Y417 PolarHBondContact O-N 2.83Å; Y417-E419 PolarHBondContact O-N 2.88Å; Y417-Q420 PolarHBondContact O-N 2.9Å; Y417-T421 HydrophobicContact CD1-CG2 4.13Å; Y417-T421 HydrophobicContact CD2-CG2 4.25Å; Y417-T421 HydrophobicContact CE1-CG2 3.66Å; Y417-T421 HydrophobicContact CE2-CG2 3.79Å; Y417-T421 HydrophobicContact CG-CG2 4.41Å; Y417-T421 VanDerWaalsContact CZ-CG2 3.47Å; Y417-T421 WeakPolarHBondContact O-CB 2.88Å; Y417-T421 WeakPolarHBondContact O-CG2 3.11Å; Y417-T421 PolarHBondContact O-N 3.05Å; Y417-T421 PolarHBondContact O-OG1 3.22Å
418I82.5Confident81Confident1 Ų157.3 Ų57.31%0.00533%0.325CS..Hα-helixtrans-61-46.4178.5-64.3172.6000110.4D414 R415 T421 N422 Q436 T449 L452D414-I418 WeakPolarHBondContact O-CG1 3.21Å; D414-I418 PolarHBondContact O-N 2.75Å; R415-I418 PolarHBondContact O-N 3Å; I418-T421 WeakPolarHBondContact CA-OG1 3.49Å; I418-T421 PolarHBondContact O-OG1 3.34Å; I418-N422 VanDerWaalsContact O-CB 3.23Å; I418-N422 WeakPolarHBondContact O-CB 3.34Å; I418-N422 PolarHBondContact O-N 3.23Å; I418-Q436 HydrophobicContact CD1-CG 4.43Å; I418-Q436 HydrophobicContact CG1-CG 3.99Å; I418-Q436 HydrophobicContact CG2-CG 4.28Å; I418-T449 HydrophobicContact CD1-CG2 4.28Å; I418-L452 HydrophobicContact CD1-CB 4Å; I418-L452 HydrophobicContact CD1-CD1 3.75Å; I418-L452 HydrophobicContact CG2-CB 4.22Å; I418-L452 WeakPolarHBondContact CG2-O 3.34Å
419E79.7Confident81.2Confident99 Ų9957 Ų5746%0.46331%0.31SS..Hα-helixtrans-63-45.2178.6-73.1172.5176.100112R415 Y417 Q423R415-E419 VanDerWaalsContact CD-OE1 3.27Å; R415-E419 WeakPolarHBondContact CD-OE1 3.42Å; R415-E419 VanDerWaalsContact CG-CD 3.49Å; R415-E419 HydrophobicContact CG-CG 4.12Å; R415-E419 WeakPolarHBondContact CG-OE1 3.3Å; R415-E419 WeakPolarHBondContact O-CB 3.48Å; R415-E419 WeakPolarHBondContact O-CG 3.3Å; R415-E419 PolarHBondContact O-N 3.43Å; Y417-E419 PolarHBondContact O-N 2.88Å; E419-Q423 WeakPolarHBondContact O-CB 3.36Å; E419-Q423 PolarHBondContact O-N 3.13Å
420Q84.8Confident80.5Confident112 Ų11255.5 Ų55.552%0.52331%0.305SS..Hα-helixtrans-66.4-42.3179.4-76.5170.956.800112.7I385 G416 Y417 Q423 A424I385-Q420 HydrophobicContact CD1-CB 4.04Å; G416-Q420 VanDerWaalsContact O-CB 3.3Å; G416-Q420 WeakPolarHBondContact O-CB 3.47Å; G416-Q420 WeakPolarHBondContact O-CG 3.36Å; G416-Q420 PolarHBondContact O-N 2.9Å; G416-Q420 PolarHBondContact O-NE2 3.45Å; G416-Q420 VanDerWaalsContact O-NE2 3.15Å; Y417-Q420 PolarHBondContact O-N 2.9Å; Q420-Q423 PolarHBondContact O-N 2.82Å; Q420-A424 VanDerWaalsContact O-CB 3.25Å; Q420-A424 WeakPolarHBondContact O-CB 3.48Å; Q420-A424 PolarHBondContact O-N 3.26Å
421T85.1Confident80.1Confident1 Ų154.5 Ų54.51%0.00629%0.29CS..Hα-helixtrans-66.4-45.5177.745.50000110.9I385 C401 Y417 I418 Q423 A424 I425 Q436I385-T421 HydrophobicContact CG1-CG2 3.84Å; C401-T421 HydrophobicContact CB-CG2 4.13Å; Y417-T421 HydrophobicContact CD1-CG2 4.13Å; Y417-T421 HydrophobicContact CD2-CG2 4.25Å; Y417-T421 HydrophobicContact CE1-CG2 3.66Å; Y417-T421 HydrophobicContact CE2-CG2 3.79Å; Y417-T421 HydrophobicContact CG-CG2 4.41Å; Y417-T421 VanDerWaalsContact CZ-CG2 3.47Å; Y417-T421 WeakPolarHBondContact O-CB 2.88Å; Y417-T421 WeakPolarHBondContact O-CG2 3.11Å; Y417-T421 PolarHBondContact O-N 3.05Å; Y417-T421 PolarHBondContact O-OG1 3.22Å; I418-T421 WeakPolarHBondContact CA-OG1 3.49Å; I418-T421 PolarHBondContact O-OG1 3.34Å; T421-Q423 PolarHBondContact O-N 3.5Å; T421-A424 PolarHBondContact O-N 3.05Å; T421-I425 WeakPolarHBondContact O-CB 3.42Å; T421-I425 WeakPolarHBondContact O-CG1 3.4Å; T421-I425 PolarHBondContact O-N 3.45Å; T421-Q436 PolarHBondContact OG1-NE2 2.61Å
422N78.6Confident80Confident23 Ų2348.6 Ų48.612%0.12326%0.262CS..Hα-helixtrans-54.9-52.8172.2-76.4-6.6000111I418 A424 I425 K426 V434 G453I418-N422 VanDerWaalsContact O-CB 3.23Å; I418-N422 WeakPolarHBondContact O-CB 3.34Å; I418-N422 PolarHBondContact O-N 3.23Å; N422-A424 VanDerWaalsContact C-N 3.35Å; N422-A424 PolarHBondContact O-N 2.97Å; N422-I425 PolarHBondContact O-N 2.97Å; N422-K426 WeakPolarHBondContact O-CB 3.33Å; N422-K426 WeakPolarHBondContact O-CG 3.34Å; N422-K426 PolarHBondContact O-N 3.33Å; N422-V434 WeakPolarHBondContact OD1-CB 3.49Å; N422-V434 VanDerWaalsContact OD1-CG1 3.23Å; N422-V434 WeakPolarHBondContact OD1-CG1 3.49Å; N422-G453 PolarHBondContact ND2-O 3.5Å
423Q78.7Confident80.2Confident144 Ų14449.9 Ų49.967%0.67327%0.269SS*.Hα-helixtrans-59.7-44.8-179.7-174.9-178.6500112E419 Q420 T421 I425 A427E419-Q423 WeakPolarHBondContact O-CB 3.36Å; E419-Q423 PolarHBondContact O-N 3.13Å; Q420-Q423 PolarHBondContact O-N 2.82Å; T421-Q423 PolarHBondContact O-N 3.5Å; Q423-I425 PolarHBondContact O-N 3.22Å; Q423-A427 WeakPolarHBondContact O-CB 3.42Å; Q423-A427 PolarHBondContact O-N 2.92Å
424A84.6Confident80.4Confident15 Ų1549.7 Ų49.712%0.12427%0.267CS..Hα-helixtrans-65.7-38.8-17700000113I385 Q389 Q420 T421 N422I385-A424 HydrophobicContact CG2-CB 3.56Å; Q389-A424 HydrophobicContact CG-CB 4.22Å; Q420-A424 VanDerWaalsContact O-CB 3.25Å; Q420-A424 WeakPolarHBondContact O-CB 3.48Å; Q420-A424 PolarHBondContact O-N 3.26Å; T421-A424 PolarHBondContact O-N 3.05Å; N422-A424 VanDerWaalsContact C-N 3.35Å; N422-A424 PolarHBondContact O-N 2.97Å
425I82.1Confident80.9Confident0 Ų045 Ų450%024%0.242CC..Hα-helixtrans-72.6-51176.7-67.9164.1000109.8A388 T392 I399 C401 T421 N422 Q423 A427 I428 D429 N432 V434A388-I425 HydrophobicContact CB-CD1 4.12Å; A388-I425 HydrophobicContact CB-CG1 4.12Å; T392-I425 HydrophobicContact CG2-CG2 4.19Å; I399-I425 HydrophobicContact CB-CD1 3.81Å; I399-I425 HydrophobicContact CG1-CD1 3.96Å; I399-I425 HydrophobicContact CG1-CG1 4.37Å; I399-I425 HydrophobicContact CG1-CG2 4.22Å; I399-I425 HydrophobicContact CG2-CD1 3.94Å; C401-I425 VanDerWaalsContact SG-CD1 3.55Å; T421-I425 WeakPolarHBondContact O-CB 3.42Å; T421-I425 WeakPolarHBondContact O-CG1 3.4Å; T421-I425 PolarHBondContact O-N 3.45Å; N422-I425 PolarHBondContact O-N 2.97Å; Q423-I425 PolarHBondContact O-N 3.22Å; I425-A427 PolarHBondContact O-N 3.34Å; I425-I428 WeakPolarHBondContact O-CB 3.28Å; I425-I428 PolarHBondContact O-N 3.02Å; I425-D429 PolarHBondContact O-N 3.39Å; I425-N432 HydrophobicContact CG2-CB 3.77Å; I425-V434 HydrophobicContact CB-CG2 4.14Å; I425-V434 HydrophobicContact CD1-CB 4.46Å; I425-V434 HydrophobicContact CD1-CG1 3.98Å; I425-V434 HydrophobicContact CD1-CG2 3.68Å; I425-V434 HydrophobicContact CG2-CG2 3.95Å
426K77.9Confident81.4Confident55 Ų5540.6 Ų40.624%0.23923%0.225CC..Hα-helixtrans-66.4-22.8-175.9-58.6-74.1-178.9-179.20112.9N422 I428 D429 A430 N432 D455N422-K426 WeakPolarHBondContact O-CB 3.33Å; N422-K426 WeakPolarHBondContact O-CG 3.34Å; N422-K426 PolarHBondContact O-N 3.33Å; K426-I428 VanDerWaalsContact C-N 3.31Å; K426-D429 WeakPolarHBondContact CA-O 3.28Å; K426-D429 CarbonylContact O-C 3.45Å; K426-A430 WeakPolarHBondContact CD-O 3.42Å; K426-A430 VanDerWaalsContact O-CA 3.28Å; K426-A430 WeakPolarHBondContact O-CA 3.43Å; K426-A430 PolarHBondContact O-N 3.48Å; K426-N432 VanDerWaalsContact CE-O 3.3Å; K426-N432 WeakPolarHBondContact CE-O 3.34Å; K426-N432 PolarHBondContact NZ-O 3.37Å; K426-D455 IonicContact NZ-OD2 2.75Å; K426-D455 PolarHBondContact NZ-OD2 3.25Å
427A76.5Confident81.8Confident85 Ų8540.1 Ų40.170%0.70222%0.219SC*.THydrogen-bonded Turntrans-70.7-24.2171.400000113.6Q423 I425Q423-A427 WeakPolarHBondContact O-CB 3.42Å; Q423-A427 PolarHBondContact O-N 2.92Å; I425-A427 PolarHBondContact O-N 3.34Å
428I79.3Confident81.8Confident71 Ų7138.3 Ų38.336%0.36421%0.212SC..THydrogen-bonded Turntrans-90.9-48.6175.2-63.3172.9000109.6Q389 T392 M393 I425 K426Q389-I428 HydrophobicContact CB-CD1 3.45Å; Q389-I428 VanDerWaalsContact CB-CD1 3.45Å; Q389-I428 HydrophobicContact CG-CD1 3.55Å; T392-I428 HydrophobicContact CG2-CB 3.98Å; T392-I428 HydrophobicContact CG2-CG2 3.74Å; M393-I428 HydrophobicContact CG-CD1 4.35Å; M393-I428 HydrophobicContact CG-CG2 3.9Å; I425-I428 WeakPolarHBondContact O-CB 3.28Å; I425-I428 PolarHBondContact O-N 3.02Å; K426-I428 VanDerWaalsContact C-N 3.31Å
429D76.8Confident82Confident55 Ų5538.5 Ų38.529%0.29421%0.214SC..  trans-143.2102.2179.7178.40.4000108.9T392 I425 K426 D431 N432T392-D429 HydrophobicContact CG2-CB 3.7Å; I425-D429 PolarHBondContact O-N 3.39Å; K426-D429 WeakPolarHBondContact CA-O 3.28Å; K426-D429 CarbonylContact O-C 3.45Å; D429-D431 PolarHBondContact O-N 2.79Å; D429-D431 PolarHBondContact OD1-N 3.32Å; D429-N432 HydrophobicContact CB-CB 3.99Å; D429-N432 PolarHBondContact O-N 3.13Å; D429-N432 PolarHBondContact OD1-N 3.32Å; D429-N432 PolarHBondContact OD2-ND2 3.3Å
430A66.5Low82.5Confident47 Ų4734.1 Ų34.139%0.38819%0.194SC..THydrogen-bonded Turntrans-61.3-16-17700000113.5K426K426-A430 WeakPolarHBondContact CD-O 3.42Å; K426-A430 VanDerWaalsContact O-CA 3.28Å; K426-A430 WeakPolarHBondContact O-CA 3.43Å; K426-A430 PolarHBondContact O-N 3.48Å
431D68.1Low82.8Confident21 Ų2130.6 Ų30.611%0.11218%0.182CC..THydrogen-bonded Turntrans-105.2-13.8-174.6-57.7-42.1000113.1K32 L33 D429 L433K32-D431 WeakPolarHBondContact CD-OD2 3.44Å; K32-D431 WeakPolarHBondContact CE-OD2 3.23Å; K32-D431 WeakPolarHBondContact CG-OD2 3.22Å; K32-D431 VanDerWaalsContact NZ-CG 3.27Å; K32-D431 IonicContact NZ-OD1 2.68Å; K32-D431 PolarHBondContact NZ-OD1 3.39Å; K32-D431 IonicContact NZ-OD2 3.67Å; K32-D431 PolarHBondContact NZ-OD2 2.87Å; L33-D431 HydrophobicContact CD2-CB 3.46Å; L33-D431 VanDerWaalsContact CD2-CB 3.46Å; L33-D431 WeakPolarHBondContact CD2-OD1 3.47Å; L33-D431 WeakPolarHBondContact CD2-OD2 3.48Å; D429-D431 PolarHBondContact O-N 2.79Å; D429-D431 PolarHBondContact OD1-N 3.32Å; D431-L433 PolarHBondContact O-N 3Å
432N80.1Confident83.2Confident5 Ų533.1 Ų33.13%0.02720%0.197CC..  trans-58.9129.4178.6-150.4-72000111.1T392 A396 D397 I399 I425 K426 D429T392-N432 HydrophobicContact CG2-CB 4.26Å; A396-N432 PolarHBondContact O-ND2 3.48Å; D397-N432 PolarHBondContact O-OD1 3.28Å; I399-N432 VanDerWaalsContact CG1-OD1 3.31Å; I399-N432 WeakPolarHBondContact CG1-OD1 3.44Å; I425-N432 HydrophobicContact CG2-CB 3.77Å; K426-N432 VanDerWaalsContact CE-O 3.3Å; K426-N432 WeakPolarHBondContact CE-O 3.34Å; K426-N432 PolarHBondContact NZ-O 3.37Å; D429-N432 HydrophobicContact CB-CB 3.99Å; D429-N432 PolarHBondContact O-N 3.13Å; D429-N432 PolarHBondContact OD1-N 3.32Å; D429-N432 PolarHBondContact OD2-ND2 3.3Å
433L87.2Confident84Confident49 Ų4933 Ų3326%0.25720%0.2SC..EExtended strand (participates in β ladder)trans-81133.9-174.4-61.7177.7000110.8F266 D397 V398 I399 D431 D455F266-L433 HydrophobicContact CD1-CD1 4.41Å; F266-L433 HydrophobicContact CE1-CB 4.02Å; F266-L433 HydrophobicContact CE1-CD1 4.04Å; F266-L433 HydrophobicContact CZ-CB 4.47Å; D397-L433 PolarHBondContact O-N 2.61Å; V398-L433 CarbonylContact C-O 3.47Å; V398-L433 VanDerWaalsContact CA-O 3.3Å; V398-L433 WeakPolarHBondContact CA-O 3.16Å; V398-L433 HydrophobicContact CB-CB 4.46Å; V398-L433 HydrophobicContact CG1-CB 4.34Å; V398-L433 HydrophobicContact CG2-CB 4.08Å; V398-L433 HydrophobicContact CG2-CD1 4.26Å; I399-L433 PolarHBondContact N-O 3.31Å; D431-L433 PolarHBondContact O-N 3Å; L433-D455 WeakPolarHBondContact CA-OD2 3.31Å; L433-D455 HydrophobicContact CB-CB 4.21Å; L433-D455 HydrophobicContact CD2-CB 3.97Å
434V88.9Confident84.6Confident0 Ų032.3 Ų32.30%020%0.201CC..EExtended strand (participates in β ladder)trans-105.2120.8179-170.50000110.5N422 I425 D455 G456N422-V434 WeakPolarHBondContact OD1-CB 3.49Å; N422-V434 VanDerWaalsContact OD1-CG1 3.23Å; N422-V434 WeakPolarHBondContact OD1-CG1 3.49Å; I425-V434 HydrophobicContact CB-CG2 4.14Å; I425-V434 HydrophobicContact CD1-CB 4.46Å; I425-V434 HydrophobicContact CD1-CG1 3.98Å; I425-V434 HydrophobicContact CD1-CG2 3.68Å; I425-V434 HydrophobicContact CG2-CG2 3.95Å; V434-D455 PolarHBondContact N-OD2 3.03Å; V434-D455 PolarHBondContact O-N 2.88Å; V434-G456 PolarHBondContact O-N 3.1Å
435M94.6Very high85.1Confident4 Ų432.7 Ų32.72%0.0220%0.2CC..EExtended strand (participates in β ladder)trans-102.9134.4174.3-175.7-179.5163.700110.3F266 V268 I379 V398 I399 L400 C401 A437 G456F266-M435 HydrophobicContact CE2-CB 4.02Å; F266-M435 HydrophobicContact CE2-CG 4.01Å; F266-M435 HydrophobicContact CE2-SD 3.97Å; F266-M435 HydrophobicContact CZ-CB 3.92Å; F266-M435 HydrophobicContact CZ-CG 4.38Å; V268-M435 HydrophobicContact CB-CE 3.76Å; V268-M435 HydrophobicContact CB-SD 4.42Å; V268-M435 HydrophobicContact CG2-CE 3.74Å; V268-M435 HydrophobicContact CG2-SD 3.74Å; I379-M435 HydrophobicContact CG2-SD 4.13Å; V398-M435 HydrophobicContact CG1-CB 3.79Å; I399-M435 PolarHBondContact O-N 3.24Å; L400-M435 HydrophobicContact CB-CB 4.44Å; L400-M435 HydrophobicContact CB-SD 4.45Å; L400-M435 HydrophobicContact CD1-CB 4.25Å; L400-M435 HydrophobicContact CD1-CE 4.2Å; L400-M435 HydrophobicContact CD1-CG 3.91Å; L400-M435 HydrophobicContact CD1-SD 4.17Å; L400-M435 HydrophobicContact CD2-CE 4.46Å; C401-M435 PolarHBondContact N-O 3.04Å; M435-A437 HydrophobicContact CE-CB 3.65Å; M435-G456 WeakPolarHBondContact CA-O 3.28Å
436Q92.1Very high85.6Confident2 Ų232.7 Ų32.71%0.00920%0.2CC..EExtended strand (participates in β ladder)trans-121.1111.9174.8-67.9-73.9-21.100108.4C401 S413 I418 T421 T449 A454 G456 T457C401-Q436 PolarHBondContact O-OE1 3.2Å; S413-Q436 PolarHBondContact OG-OE1 2.73Å; I418-Q436 HydrophobicContact CD1-CG 4.43Å; I418-Q436 HydrophobicContact CG1-CG 3.99Å; I418-Q436 HydrophobicContact CG2-CG 4.28Å; T421-Q436 PolarHBondContact OG1-NE2 2.61Å; Q436-T449 HydrophobicContact CB-CG2 3.38Å; Q436-T449 HydrophobicContact CG-CG2 4.21Å; Q436-A454 HydrophobicContact CB-CB 4.14Å; Q436-A454 HydrophobicContact CG-CB 3.95Å; Q436-G456 PolarHBondContact N-O 3.43Å; Q436-G456 VanDerWaalsContact N-O 3.13Å; Q436-T457 WeakPolarHBondContact O-CA 3.4Å; Q436-T457 VanDerWaalsContact O-CB 3.25Å; Q436-T457 WeakPolarHBondContact O-CB 3.32Å; Q436-T457 PolarHBondContact O-OG1 3.48Å
437A89.9Confident86.2Confident14 Ų1432.5 Ų32.512%0.11620%0.199CC..  trans-129.51-177.300000114.9L400 M435 G439 I440 G458L400-A437 HydrophobicContact CD1-CB 3.71Å; M435-A437 HydrophobicContact CE-CB 3.65Å; A437-G439 PolarHBondContact O-N 3.06Å; A437-I440 PolarHBondContact O-N 2.68Å; A437-G458 WeakPolarHBondContact CB-O 3.41Å
438A84.5Confident86.7Confident1 Ų131.9 Ų31.91%0.00818%0.178CC..THydrogen-bonded Turntrans-56.7125.2174.400000110.8E402 L406 T412 I440E402-A438 HydrophobicContact CB-CB 4.45Å; E402-A438 HydrophobicContact CG-CB 3.8Å; L406-A438 HydrophobicContact CB-CB 3.88Å; L406-A438 HydrophobicContact CD1-CB 4.39Å; T412-A438 VanDerWaalsContact CA-O 3.31Å; T412-A438 WeakPolarHBondContact CA-O 3.08Å; A438-I440 PolarHBondContact O-N 3.15Å
439G85.1Confident87.2Confident5 Ų528.6 Ų28.65%0.05216%0.161CC..THydrogen-bonded Turntrans64.45.617200000117.2L406 G410 A437 S441L406-G439 PolarHBondContact O-N 3.33Å; G410-G439 CarbonylContact C-O 3.48Å; G410-G439 WeakPolarHBondContact CA-O 3.24Å; A437-G439 PolarHBondContact O-N 3.06Å; G439-S441 PolarHBondContact O-N 3.44Å
440I90.9Very high87.7Confident7 Ų726.1 Ų26.14%0.03615%0.148CC..  trans-61.7123.6178.3-55.7-65.9000108.9T412 A437 A438 D445 V446 T449 T457 G458 C459 M476T412-I440 HydrophobicContact CG2-CD1 3.92Å; A437-I440 PolarHBondContact O-N 2.68Å; A438-I440 PolarHBondContact O-N 3.15Å; I440-D445 HydrophobicContact CD1-CB 3.9Å; I440-D445 HydrophobicContact CG2-CB 4.07Å; I440-V446 HydrophobicContact CG2-CG2 3.86Å; I440-T449 WeakPolarHBondContact CD1-OG1 3.33Å; I440-T457 WeakPolarHBondContact CG1-OG1 3.39Å; I440-G458 WeakPolarHBondContact CB-O 3.47Å; I440-C459 HydrophobicContact CB-CB 4.44Å; I440-C459 HydrophobicContact CG2-CB 4.12Å; I440-C459 PolarHBondContact O-SG 3.26Å; I440-M476 HydrophobicContact CG2-CE 4.5Å
441S91.4Very high88.3Confident39 Ų3929 Ų2927%0.27315%0.154SC..  trans-137.7-15.2-17965.20000114.1G439 D445 M476G439-S441 PolarHBondContact O-N 3.44Å; S441-D445 PolarHBondContact N-OD2 2.87Å; S441-D445 PolarHBondContact OG-OD2 3.41Å; S441-M476 VanDerWaalsContact O-CE 3.22Å; S441-M476 WeakPolarHBondContact O-CE 3.46Å
442T93.4Very high89Confident53 Ų5329 Ų2933%0.32515%0.153SC..SBendtrans-133.4166.8-176.965.90000112.5D444 D445 V446T442-D444 VanDerWaalsContact C-N 3.3Å; T442-D444 PolarHBondContact O-N 3.5Å; T442-D445 PolarHBondContact N-OD2 3.13Å; T442-D445 WeakPolarHBondContact O-CB 3.4Å; T442-D445 PolarHBondContact O-N 2.93Å; T442-D445 PolarHBondContact OG1-N 2.88Å; T442-D445 PolarHBondContact OG1-OD2 2.94Å; T442-V446 PolarHBondContact O-N 2.84Å
443A94.5Very high89Confident21 Ų2130 Ų3017%0.17417%0.165CC..Hα-helixtrans-63.4-34.3171.500000112.8D445 V446 Y447 D475 A479A443-D445 VanDerWaalsContact C-N 3.31Å; A443-D445 PolarHBondContact O-N 2.8Å; A443-V446 WeakPolarHBondContact O-CB 3.47Å; A443-V446 PolarHBondContact O-N 2.66Å; A443-Y447 PolarHBondContact O-N 2.87Å; A443-D475 HydrophobicContact CB-CB 3.92Å; A443-D475 WeakPolarHBondContact CB-O 3.23Å; A443-A479 HydrophobicContact CB-CB 3.93Å; A443-A479 WeakPolarHBondContact O-CB 3.21Å
444D93.3Very high88.9Confident130 Ų13027.7 Ų27.770%0.69515%0.153SC*.Hα-helixtrans-65.3-35.6176.1-72.8-18000111.7T442 V446 Y447 R448T442-D444 VanDerWaalsContact C-N 3.3Å; T442-D444 PolarHBondContact O-N 3.5Å; D444-V446 VanDerWaalsContact C-N 3.32Å; D444-V446 PolarHBondContact O-N 3.08Å; D444-Y447 PolarHBondContact O-N 2.96Å; D444-R448 VanDerWaalsContact O-CB 3.28Å; D444-R448 WeakPolarHBondContact O-CB 3.25Å; D444-R448 PolarHBondContact O-N 3.42Å
445D93.3Very high88.8Confident22 Ų2229 Ų2912%0.11816%0.16CC..Hα-helixtrans-62.4-41.8174-64.5-39.6000111.6T412 I440 S441 T442 A443 T449T412-D445 HydrophobicContact CG2-CB 3.86Å; T412-D445 WeakPolarHBondContact CG2-OD1 3.45Å; I440-D445 HydrophobicContact CD1-CB 3.9Å; I440-D445 HydrophobicContact CG2-CB 4.07Å; S441-D445 PolarHBondContact N-OD2 2.87Å; S441-D445 PolarHBondContact OG-OD2 3.41Å; T442-D445 PolarHBondContact N-OD2 3.13Å; T442-D445 WeakPolarHBondContact O-CB 3.4Å; T442-D445 PolarHBondContact O-N 2.93Å; T442-D445 PolarHBondContact OG1-N 2.88Å; T442-D445 PolarHBondContact OG1-OD2 2.94Å; A443-D445 VanDerWaalsContact C-N 3.31Å; A443-D445 PolarHBondContact O-N 2.8Å; D445-T449 VanDerWaalsContact O-CB 3.24Å; D445-T449 WeakPolarHBondContact O-CB 3.47Å; D445-T449 PolarHBondContact O-N 2.88Å; D445-T449 PolarHBondContact O-OG1 2.75Å
446V93.7Very high88.7Confident0 Ų028.8 Ų28.80%016%0.159CC..Hα-helixtrans-61.9-53.1175.8170.70000110F267 I440 T442 A443 D444 R448 T449 M450 T457 M476 A479 L480F267-V446 HydrophobicContact CE2-CG2 3.84Å; I440-V446 HydrophobicContact CG2-CG2 3.86Å; T442-V446 PolarHBondContact O-N 2.84Å; A443-V446 WeakPolarHBondContact O-CB 3.47Å; A443-V446 PolarHBondContact O-N 2.66Å; D444-V446 VanDerWaalsContact C-N 3.32Å; D444-V446 PolarHBondContact O-N 3.08Å; V446-R448 PolarHBondContact O-N 2.89Å; V446-T449 PolarHBondContact O-N 3.25Å; V446-M450 HydrophobicContact CG1-CG 4.5Å; V446-M450 WeakPolarHBondContact O-CB 3.45Å; V446-M450 VanDerWaalsContact O-CG 3.23Å; V446-M450 WeakPolarHBondContact O-CG 3.32Å; V446-M450 PolarHBondContact O-N 3.07Å; V446-T457 HydrophobicContact CB-CG2 4.15Å; V446-T457 HydrophobicContact CG1-CG2 3.71Å; V446-T457 HydrophobicContact CG2-CG2 3.91Å; V446-M476 WeakPolarHBondContact CG1-O 3.34Å; V446-M476 HydrophobicContact CG2-CB 4.01Å; V446-M476 HydrophobicContact CG2-CG 3.96Å; V446-M476 HydrophobicContact CG2-SD 4.5Å; V446-A479 HydrophobicContact CB-CB 4.33Å; V446-A479 HydrophobicContact CG1-CB 4.27Å; V446-L480 HydrophobicContact CG1-CB 3.85Å
447Y89.9Confident88.9Confident52 Ų5228.7 Ų28.720%0.20416%0.158CC..Hα-helixtrans-56.2-50179.5-179.4-84.2000111.2A443 D444 T449 M450 E451 K482 A483 E486A443-Y447 PolarHBondContact O-N 2.87Å; D444-Y447 PolarHBondContact O-N 2.96Å; Y447-T449 PolarHBondContact O-N 3.42Å; Y447-M450 PolarHBondContact O-N 3.1Å; Y447-E451 HydrophobicContact CE1-CB 4.32Å; Y447-E451 WeakPolarHBondContact O-CB 3.47Å; Y447-E451 PolarHBondContact O-N 3.06Å; Y447-K482 HydrophobicContact CD2-CB 4.5Å; Y447-K482 HydrophobicContact CD2-CD 4.15Å; Y447-K482 HydrophobicContact CD2-CG 4.33Å; Y447-K482 HydrophobicContact CE2-CD 4.1Å; Y447-K482 HydrophobicContact CE2-CG 4.1Å; Y447-A483 HydrophobicContact CD2-CB 3.67Å; Y447-A483 HydrophobicContact CE2-CB 3.94Å; Y447-A483 HydrophobicContact CG-CB 4.29Å; Y447-E486 VanDerWaalsContact CE2-OE2 3.28Å; Y447-E486 WeakPolarHBondContact CE2-OE2 3.38Å; Y447-E486 PolarHBondContact OH-OE2 2.92Å
448R88.3Confident89Confident71 Ų7128.1 Ų28.127%0.26815%0.153SC..Hα-helixtrans-62-45.5-178.9-174.6-176.362.773.937.8111.6T412 S413 D444 V446 M450 E451 L452T412-R448 PolarHBondContact OG1-NH1 3.19Å; T412-R448 PolarHBondContact OG1-NH2 3.21Å; S413-R448 PolarHBondContact O-NH1 2.74Å; D444-R448 VanDerWaalsContact O-CB 3.28Å; D444-R448 WeakPolarHBondContact O-CB 3.25Å; D444-R448 PolarHBondContact O-N 3.42Å; V446-R448 PolarHBondContact O-N 2.89Å; R448-M450 VanDerWaalsContact C-N 3.28Å; R448-M450 PolarHBondContact O-N 3.03Å; R448-E451 WeakPolarHBondContact O-CB 3.42Å; R448-E451 PolarHBondContact O-N 3.35Å; R448-E451 VanDerWaalsContact O-N 3.13Å; R448-L452 HydrophobicContact CG-CD1 4.07Å; R448-L452 HydrophobicContact CG-CG 4.45Å; R448-L452 WeakPolarHBondContact O-CB 3.49Å; R448-L452 WeakPolarHBondContact O-CG 3.46Å; R448-L452 PolarHBondContact O-N 3.03Å
449T88.9Confident89.4Confident2 Ų228.4 Ų28.41%0.01216%0.156CC..Hα-helixtrans-63.7-38.7-178.7-58.30000111.5I418 Q436 I440 D445 V446 Y447 L452 A454I418-T449 HydrophobicContact CD1-CG2 4.28Å; Q436-T449 HydrophobicContact CB-CG2 3.38Å; Q436-T449 HydrophobicContact CG-CG2 4.21Å; I440-T449 WeakPolarHBondContact CD1-OG1 3.33Å; D445-T449 VanDerWaalsContact O-CB 3.24Å; D445-T449 WeakPolarHBondContact O-CB 3.47Å; D445-T449 PolarHBondContact O-N 2.88Å; D445-T449 PolarHBondContact O-OG1 2.75Å; V446-T449 PolarHBondContact O-N 3.25Å; Y447-T449 PolarHBondContact O-N 3.42Å; T449-L452 PolarHBondContact O-N 2.95Å; T449-A454 HydrophobicContact CG2-CB 3.83Å; T449-A454 WeakPolarHBondContact O-CB 3.41Å; T449-A454 PolarHBondContact O-N 2.96Å
450M86.7Confident89.8Confident3 Ų329.2 Ų29.22%0.01516%0.16CC..Hα-helixtrans-70.7-36.7172.6-63.2-58.7-56.600111.8P265 V446 Y447 R448 L452 G453 A454 T457 L480 A483 R487P265-M450 HydrophobicContact CB-CE 3.88Å; V446-M450 HydrophobicContact CG1-CG 4.5Å; V446-M450 WeakPolarHBondContact O-CB 3.45Å; V446-M450 VanDerWaalsContact O-CG 3.23Å; V446-M450 WeakPolarHBondContact O-CG 3.32Å; V446-M450 PolarHBondContact O-N 3.07Å; Y447-M450 PolarHBondContact O-N 3.1Å; R448-M450 VanDerWaalsContact C-N 3.28Å; R448-M450 PolarHBondContact O-N 3.03Å; M450-L452 PolarHBondContact O-N 2.9Å; M450-G453 PolarHBondContact O-N 3.35Å; M450-A454 WeakPolarHBondContact CE-O 3.3Å; M450-A454 HydrophobicContact SD-CB 4.24Å; M450-T457 HydrophobicContact SD-CG2 4.46Å; M450-L480 HydrophobicContact CE-CD1 3.59Å; M450-L480 HydrophobicContact CG-CD1 3.46Å; M450-L480 VanDerWaalsContact CG-CD1 3.46Å; M450-L480 HydrophobicContact SD-CD1 3.51Å; M450-L480 VanDerWaalsContact SD-CD1 3.51Å; M450-A483 HydrophobicContact CB-CB 3.6Å; M450-A483 HydrophobicContact CG-CB 4.45Å; M450-R487 PolarHBondContact O-NE 2.79Å; M450-R487 PolarHBondContact O-NH2 2.94Å
451E80.4Confident89.7Confident109 Ų10931.1 Ų31.151%0.50917%0.173SC..Hα-helixtrans-61.4-34.4172.7-173.6-177.3-140.200111.7Y447 R448 G453Y447-E451 HydrophobicContact CE1-CB 4.32Å; Y447-E451 WeakPolarHBondContact O-CB 3.47Å; Y447-E451 PolarHBondContact O-N 3.06Å; R448-E451 WeakPolarHBondContact O-CB 3.42Å; R448-E451 PolarHBondContact O-N 3.35Å; R448-E451 VanDerWaalsContact O-N 3.13Å; E451-G453 VanDerWaalsContact C-N 3.26Å; E451-G453 PolarHBondContact O-N 2.91Å
452L82.2Confident89.6Confident20 Ų2029.9 Ų29.911%0.10517%0.166CC..THydrogen-bonded Turntrans-78.41.5-179.3-66.2176.3000115.2R415 I418 R448 T449 M450R415-L452 HydrophobicContact CB-CD1 4.26Å; R415-L452 HydrophobicContact CB-CD2 3.9Å; R415-L452 HydrophobicContact CG-CD2 3.82Å; I418-L452 HydrophobicContact CD1-CB 4Å; I418-L452 HydrophobicContact CD1-CD1 3.75Å; I418-L452 HydrophobicContact CG2-CB 4.22Å; I418-L452 WeakPolarHBondContact CG2-O 3.34Å; R448-L452 HydrophobicContact CG-CD1 4.07Å; R448-L452 HydrophobicContact CG-CG 4.45Å; R448-L452 WeakPolarHBondContact O-CB 3.49Å; R448-L452 WeakPolarHBondContact O-CG 3.46Å; R448-L452 PolarHBondContact O-N 3.03Å; T449-L452 PolarHBondContact O-N 2.95Å; M450-L452 PolarHBondContact O-N 2.9Å
453G79.6Confident89.6Confident26 Ų2627.3 Ų27.327%0.26815%0.151SC..THydrogen-bonded Turntrans107.72.4171.500000116.2N422 M450 E451N422-G453 PolarHBondContact ND2-O 3.5Å; M450-G453 PolarHBondContact O-N 3.35Å; E451-G453 VanDerWaalsContact C-N 3.26Å; E451-G453 PolarHBondContact O-N 2.91Å
454A86.5Confident89.6Confident0 Ų027.5 Ų27.50%015%0.15CC..  trans-63.6147.3173.700000111.8Q436 T449 M450 R487Q436-A454 HydrophobicContact CB-CB 4.14Å; Q436-A454 HydrophobicContact CG-CB 3.95Å; T449-A454 HydrophobicContact CG2-CB 3.83Å; T449-A454 WeakPolarHBondContact O-CB 3.41Å; T449-A454 PolarHBondContact O-N 2.96Å; M450-A454 WeakPolarHBondContact CE-O 3.3Å; M450-A454 HydrophobicContact SD-CB 4.24Å; A454-R487 PolarHBondContact O-NH2 3.48Å
455D86.3Confident89.5Confident28 Ų2827.1 Ų27.115%0.1515%0.148CC..SBendtrans-83.5-25.6173.3-65.4-54.7000111.2P265 F266 K426 L433 V434P265-D455 WeakPolarHBondContact CA-O 3.45Å; F266-D455 WeakPolarHBondContact CD1-O 3.32Å; F266-D455 HydrophobicContact CE1-CB 4.02Å; F266-D455 PolarHBondContact N-O 3.39Å; K426-D455 IonicContact NZ-OD2 2.75Å; K426-D455 PolarHBondContact NZ-OD2 3.25Å; L433-D455 WeakPolarHBondContact CA-OD2 3.31Å; L433-D455 HydrophobicContact CB-CB 4.21Å; L433-D455 HydrophobicContact CD2-CB 3.97Å; V434-D455 PolarHBondContact N-OD2 3.03Å; V434-D455 PolarHBondContact O-N 2.88Å
456G92.2Very high89.5Confident0 Ų027.2 Ų27.20%015%0.151CC..EExtended strand (participates in β ladder)trans-160.5173.6173.400000113.1F266 V434 M435 Q436F266-G456 WeakPolarHBondContact O-CA 3.16Å; V434-G456 PolarHBondContact O-N 3.1Å; M435-G456 WeakPolarHBondContact CA-O 3.28Å; Q436-G456 PolarHBondContact N-O 3.43Å; Q436-G456 VanDerWaalsContact N-O 3.13Å
457T95.1Very high89.5Confident0 Ų035.8 Ų35.80%020%0.197CC..EExtended strand (participates in β ladder)trans-150.7179179.6-171.10000110.2F266 F267 V268 Q436 I440 V446 M450F266-T457 PolarHBondContact O-N 3.28Å; F266-T457 VanDerWaalsContact O-N 3.1Å; F267-T457 CarbonylContact C-O 3.58Å; F267-T457 WeakPolarHBondContact CA-O 3.49Å; F267-T457 HydrophobicContact CD2-CG2 4.04Å; F267-T457 HydrophobicContact CE2-CG2 4.25Å; V268-T457 PolarHBondContact N-O 3.01Å; Q436-T457 WeakPolarHBondContact O-CA 3.4Å; Q436-T457 VanDerWaalsContact O-CB 3.25Å; Q436-T457 WeakPolarHBondContact O-CB 3.32Å; Q436-T457 PolarHBondContact O-OG1 3.48Å; I440-T457 WeakPolarHBondContact CG1-OG1 3.39Å; V446-T457 HydrophobicContact CB-CG2 4.15Å; V446-T457 HydrophobicContact CG1-CG2 3.71Å; V446-T457 HydrophobicContact CG2-CG2 3.91Å; M450-T457 HydrophobicContact SD-CG2 4.46Å
458G93.8Very high89.8Confident1 Ų135.2 Ų35.21%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-173.1168.8-178.600000112.1V268 A437 I440V268-G458 CarbonylContact O-C 3.37Å; V268-G458 WeakPolarHBondContact O-CA 3.48Å; A437-G458 WeakPolarHBondContact CB-O 3.41Å; I440-G458 WeakPolarHBondContact CB-O 3.47Å
459C92.1Very high90.2Very high8 Ų833.7 Ų33.75%0.05420%0.2CC..EExtended strand (participates in β ladder)trans-149.3151.6-177.7-177.10000111.6F267 V268 N270 I440 G462 I463 M476F267-C459 HydrophobicContact CZ-CB 4.46Å; V268-C459 PolarHBondContact O-N 2.87Å; N270-C459 PolarHBondContact N-O 3Å; I440-C459 HydrophobicContact CB-CB 4.44Å; I440-C459 HydrophobicContact CG2-CB 4.12Å; I440-C459 PolarHBondContact O-SG 3.26Å; C459-G462 WeakPolarHBondContact SG-CA 3.36Å; C459-G462 PolarHBondContact SG-N 3.15Å; C459-I463 HydrophobicContact CB-CD1 4.17Å; C459-I463 HydrophobicContact CB-CG1 4.46Å; C459-M476 HydrophobicContact CB-CE 4.18Å; C459-M476 HydrophobicContact CB-SD 4.01Å
460T92.9Very high90.5Very high22 Ų2235.2 Ų35.214%0.13521%0.213CC..SBendtrans-109.5-77.7166.6-530000110.6N270 K272 Y274 G462 I463 T464N270-T460 WeakPolarHBondContact O-CA 3.25Å; N270-T460 WeakPolarHBondContact O-CB 3.44Å; N270-T460 VanDerWaalsContact O-CG2 3.27Å; N270-T460 WeakPolarHBondContact O-CG2 3.5Å; N270-T460 PolarHBondContact O-OG1 3.34Å; K272-T460 HydrophobicContact CB-CG2 4.4Å; K272-T460 HydrophobicContact CD-CG2 4.03Å; K272-T460 WeakPolarHBondContact CE-OG1 3.37Å; K272-T460 HydrophobicContact CG-CG2 3.91Å; Y274-T460 HydrophobicContact CD2-CG2 3.72Å; Y274-T460 HydrophobicContact CE2-CG2 3.97Å; T460-G462 PolarHBondContact O-N 2.98Å; T460-I463 PolarHBondContact O-N 3.32Å; T460-I463 VanDerWaalsContact O-N 3.13Å; T460-T464 HydrophobicContact CG2-CG2 4.46Å; T460-T464 WeakPolarHBondContact O-CG2 2.83Å; T460-T464 PolarHBondContact O-N 3.41Å; T460-T464 PolarHBondContact O-OG1 3.49Å
461S90.1Very high91Very high47 Ų4741 Ų4133%0.32924%0.24SC..Hα-helixtrans-71.2-30.9-165.449.90000113.6I463 T464 N465S461-I463 PolarHBondContact O-N 2.84Å; S461-T464 WeakPolarHBondContact CA-OG1 3.28Å; S461-N465 VanDerWaalsContact O-CB 3.24Å; S461-N465 WeakPolarHBondContact O-CB 3.44Å; S461-N465 PolarHBondContact O-N 2.89Å
462G88.9Confident91.8Very high12 Ų1238 Ų3812%0.12423%0.227CC..Hα-helixtrans-58.6-32.3173.200000112.2C459 T460 A466 M472C459-G462 WeakPolarHBondContact SG-CA 3.36Å; C459-G462 PolarHBondContact SG-N 3.15Å; T460-G462 PolarHBondContact O-N 2.98Å; G462-A466 WeakPolarHBondContact O-CB 3.24Å; G462-M472 WeakPolarHBondContact O-CG 3.43Å
463I93.7Very high92.5Very high0 Ų037 Ų370%022%0.222CC..Hα-helixtrans-88-53.4174.6-65.1165000110.7F267 F269 C459 T460 S461 N465 A466 P469 M472 L473 M476F267-I463 HydrophobicContact CE1-CD1 4Å; F267-I463 HydrophobicContact CZ-CD1 4.03Å; F269-I463 HydrophobicContact CD2-CB 4.27Å; F269-I463 HydrophobicContact CD2-CD1 3.55Å; F269-I463 HydrophobicContact CD2-CG2 4.14Å; F269-I463 HydrophobicContact CE2-CB 3.84Å; F269-I463 HydrophobicContact CE2-CD1 4.02Å; F269-I463 HydrophobicContact CE2-CG2 3.52Å; F269-I463 HydrophobicContact CG-CD1 4.23Å; F269-I463 HydrophobicContact CZ-CG2 3.78Å; C459-I463 HydrophobicContact CB-CD1 4.17Å; C459-I463 HydrophobicContact CB-CG1 4.46Å; T460-I463 PolarHBondContact O-N 3.32Å; T460-I463 VanDerWaalsContact O-N 3.13Å; S461-I463 PolarHBondContact O-N 2.84Å; I463-N465 PolarHBondContact O-N 3.2Å; I463-A466 PolarHBondContact O-N 3.2Å; I463-P469 HydrophobicContact CG2-CB 4.05Å; I463-P469 WeakPolarHBondContact O-CA 3.41Å; I463-P469 WeakPolarHBondContact O-CB 3.31Å; I463-P469 WeakPolarHBondContact O-CG 3.43Å; I463-M472 HydrophobicContact CG1-CG 4.19Å; I463-L473 HydrophobicContact CD1-CB 4.39Å; I463-L473 HydrophobicContact CD1-CD1 3.9Å; I463-L473 HydrophobicContact CG2-CB 4.34Å; I463-M476 HydrophobicContact CD1-SD 3.86Å; I463-M476 HydrophobicContact CG1-CE 4.39Å; I463-M476 HydrophobicContact CG1-SD 3.75Å
464T93.2Very high93.4Very high24 Ų2436.4 Ų36.415%0.14721%0.212CC..Hα-helixtrans-65.6-26.7-171.4620000113.6F269 P271 L275 T460 S461F269-T464 HydrophobicContact CE2-CG2 4.32Å; F269-T464 HydrophobicContact CZ-CG2 4.49Å; P271-T464 HydrophobicContact CB-CG2 4.26Å; L275-T464 HydrophobicContact CD1-CG2 4.04Å; L275-T464 HydrophobicContact CG-CG2 4.2Å; T460-T464 HydrophobicContact CG2-CG2 4.46Å; T460-T464 WeakPolarHBondContact O-CG2 2.83Å; T460-T464 PolarHBondContact O-N 3.41Å; T460-T464 PolarHBondContact O-OG1 3.49Å; S461-T464 WeakPolarHBondContact CA-OG1 3.28Å
465N92.6Very high93.9Very high123 Ų12340.1 Ų40.166%0.65823%0.232SC*.THydrogen-bonded Turntrans-104.43.3-178.7-55.9-14.4000113S461 I463S461-N465 VanDerWaalsContact O-CB 3.24Å; S461-N465 WeakPolarHBondContact O-CB 3.44Å; S461-N465 PolarHBondContact O-N 2.89Å; I463-N465 PolarHBondContact O-N 3.2Å
466A93.4Very high94.5Very high23 Ų2338.8 Ų38.819%0.1923%0.225CC..SBendtrans-66.5151.8173.500000110.6G462 I463 S468 P469 M472G462-A466 WeakPolarHBondContact O-CB 3.24Å; I463-A466 PolarHBondContact O-N 3.2Å; A466-S468 PolarHBondContact O-N 2.95Å; A466-P469 WeakPolarHBondContact O-CD 3.45Å; A466-M472 HydrophobicContact CB-CB 3.83Å; A466-M472 HydrophobicContact CB-CE 4.42Å; A466-M472 HydrophobicContact CB-CG 4.28Å
467D93.2Very high94.6Very high181 Ų18138.8 Ų38.897%0.96823%0.225SC*.SBendtrans-56.7-33.2172.1-68.4-34000111.4
468S95.4Very high94.6Very high39 Ų3942.1 Ų42.127%0.27324%0.241SC..SBendtrans-134.390.3175-175.40000110.1A466 A470 E471 M472A466-S468 PolarHBondContact O-N 2.95Å; S468-A470 PolarHBondContact O-N 3.24Å; S468-E471 WeakPolarHBondContact CB-OE2 3.17Å; S468-E471 PolarHBondContact O-N 2.94Å; S468-E471 WeakPolarHBondContact OG-CB 3.48Å; S468-E471 VanDerWaalsContact OG-CD 3.3Å; S468-E471 VanDerWaalsContact OG-CG 3.26Å; S468-E471 WeakPolarHBondContact OG-CG 3.44Å; S468-E471 PolarHBondContact OG-OE2 2.74Å; S468-M472 PolarHBondContact O-N 3.49Å
469P96.3Very high94.6Very high39 Ų3942.6 Ų42.625%0.25325%0.245SC..Hα-helixtrans-57.2-35.1-179.3-29.437.9000113.5L283 I463 A466 L473L283-P469 HydrophobicContact CD1-CB 3.93Å; L283-P469 HydrophobicContact CD2-CB 4.05Å; I463-P469 HydrophobicContact CG2-CB 4.05Å; I463-P469 WeakPolarHBondContact O-CA 3.41Å; I463-P469 WeakPolarHBondContact O-CB 3.31Å; I463-P469 WeakPolarHBondContact O-CG 3.43Å; A466-P469 WeakPolarHBondContact O-CD 3.45Å; P469-L473 VanDerWaalsContact O-CB 3.27Å; P469-L473 WeakPolarHBondContact O-CB 3.35Å; P469-L473 PolarHBondContact O-N 2.69Å
470A95.8Very high94.7Very high35 Ų3542.2 Ų42.229%0.28924%0.242SC..Hα-helixtrans-69.8-37.1179.100000113L283 R286 S468 T474L283-A470 HydrophobicContact CD2-CB 3.9Å; R286-A470 HydrophobicContact CG-CB 4.22Å; S468-A470 PolarHBondContact O-N 3.24Å; A470-T474 PolarHBondContact O-N 2.93Å; A470-T474 VanDerWaalsContact O-N 3.14Å; A470-T474 PolarHBondContact O-OG1 3.28Å
471E97Very high94.4Very high124 Ų12441.4 Ų41.458%0.57924%0.238SC*.Hα-helixtrans-71.7-45.6174.7-72.8173.5164.600110.4S468 L473 T474 D475S468-E471 WeakPolarHBondContact CB-OE2 3.17Å; S468-E471 PolarHBondContact O-N 2.94Å; S468-E471 WeakPolarHBondContact OG-CB 3.48Å; S468-E471 VanDerWaalsContact OG-CD 3.3Å; S468-E471 VanDerWaalsContact OG-CG 3.26Å; S468-E471 WeakPolarHBondContact OG-CG 3.44Å; S468-E471 PolarHBondContact OG-OE2 2.74Å; E471-L473 VanDerWaalsContact C-N 3.32Å; E471-L473 PolarHBondContact O-N 3.35Å; E471-T474 CarbonylContact O-C 3.55Å; E471-T474 WeakPolarHBondContact O-CA 3.24Å; E471-T474 WeakPolarHBondContact O-CB 3.11Å; E471-T474 PolarHBondContact O-N 3.31Å; E471-D475 PolarHBondContact O-N 3.02Å
472M97.6Very high94.2Very high46 Ų4644.2 Ų44.223%0.22724%0.244CC..Hα-helixtrans-59-43.1176.8-175.660.570.200112.4G462 I463 A466 S468 T474 D475 M476G462-M472 WeakPolarHBondContact O-CG 3.43Å; I463-M472 HydrophobicContact CG1-CG 4.19Å; A466-M472 HydrophobicContact CB-CB 3.83Å; A466-M472 HydrophobicContact CB-CE 4.42Å; A466-M472 HydrophobicContact CB-CG 4.28Å; S468-M472 PolarHBondContact O-N 3.49Å; M472-T474 VanDerWaalsContact C-N 3.27Å; M472-T474 PolarHBondContact O-N 3.23Å; M472-D475 PolarHBondContact O-N 3.28Å; M472-M476 HydrophobicContact CG-CE 3.89Å; M472-M476 HydrophobicContact CG-SD 4.29Å; M472-M476 WeakPolarHBondContact O-CB 3.39Å; M472-M476 WeakPolarHBondContact O-CG 3.49Å; M472-M476 PolarHBondContact O-N 2.98Å; M472-M476 HydrophobicContact SD-CE 3.85Å; M472-M476 HydrophobicContact SD-CG 4.39Å
473L97.4Very high93.9Very high0 Ų043.8 Ų43.80%024%0.239CC..Hα-helixtrans-59.1-40.2173.3175.563.1000111.6F267 F269 R286 A287 L290 I463 P469 E471 I477F267-L473 HydrophobicContact CD1-CD1 4.28Å; F267-L473 HydrophobicContact CE1-CD1 3.79Å; F269-L473 HydrophobicContact CB-CD1 4.11Å; F269-L473 HydrophobicContact CD1-CD2 4.45Å; F269-L473 HydrophobicContact CG-CD1 4.34Å; R286-L473 HydrophobicContact CG-CD2 4.43Å; A287-L473 HydrophobicContact CB-CD2 4.07Å; L290-L473 HydrophobicContact CD1-CG 4.1Å; I463-L473 HydrophobicContact CD1-CB 4.39Å; I463-L473 HydrophobicContact CD1-CD1 3.9Å; I463-L473 HydrophobicContact CG2-CB 4.34Å; P469-L473 VanDerWaalsContact O-CB 3.27Å; P469-L473 WeakPolarHBondContact O-CB 3.35Å; P469-L473 PolarHBondContact O-N 2.69Å; E471-L473 VanDerWaalsContact C-N 3.32Å; E471-L473 PolarHBondContact O-N 3.35Å; L473-I477 HydrophobicContact CD1-CD1 3.62Å; L473-I477 HydrophobicContact CD1-CG1 4.43Å; L473-I477 HydrophobicContact CG-CD1 3.96Å; L473-I477 WeakPolarHBondContact O-CD1 3.16Å; L473-I477 WeakPolarHBondContact O-CG1 3.27Å; L473-I477 PolarHBondContact O-N 3.49Å
474T97.8Very high93.2Very high12 Ų1245.7 Ų45.77%0.07425%0.248CC..Hα-helixtrans-60.6-57.8175.3-57.40000109.9R286 L290 A470 E471 M472 M476 I477 E478R286-T474 PolarHBondContact NE-OG1 3.49Å; R286-T474 PolarHBondContact NH2-OG1 2.84Å; L290-T474 HydrophobicContact CD2-CG2 3.89Å; A470-T474 PolarHBondContact O-N 2.93Å; A470-T474 VanDerWaalsContact O-N 3.14Å; A470-T474 PolarHBondContact O-OG1 3.28Å; E471-T474 CarbonylContact O-C 3.55Å; E471-T474 WeakPolarHBondContact O-CA 3.24Å; E471-T474 WeakPolarHBondContact O-CB 3.11Å; E471-T474 PolarHBondContact O-N 3.31Å; M472-T474 VanDerWaalsContact C-N 3.27Å; M472-T474 PolarHBondContact O-N 3.23Å; T474-M476 VanDerWaalsContact C-N 3.26Å; T474-M476 PolarHBondContact O-N 2.82Å; T474-I477 PolarHBondContact O-N 3.41Å; T474-E478 HydrophobicContact CG2-CG 4.08Å; T474-E478 VanDerWaalsContact O-CG 3.31Å; T474-E478 WeakPolarHBondContact O-CG 3.23Å; T474-E478 PolarHBondContact O-N 3.22Å
475D97.5Very high92.1Very high78 Ų7852.4 Ų52.442%0.41728%0.275SS..Hα-helixtrans-56.1-41.4-175.4-62.9-15.9000112A443 E471 M472 E478 A479A443-D475 HydrophobicContact CB-CB 3.92Å; A443-D475 WeakPolarHBondContact CB-O 3.23Å; E471-D475 PolarHBondContact O-N 3.02Å; M472-D475 PolarHBondContact O-N 3.28Å; D475-E478 PolarHBondContact O-N 3.47Å; D475-A479 WeakPolarHBondContact O-CB 3.32Å; D475-A479 PolarHBondContact O-N 2.86Å
476M97.7Very high91Very high0 Ų049.8 Ų49.80%026%0.259CS..Hα-helixtrans-63.3-43.9176.4-75.4-178.8174.800113F267 I440 S441 V446 C459 I463 M472 T474 A479 L480F267-M476 HydrophobicContact CE2-CB 3.91Å; F267-M476 HydrophobicContact CE2-SD 4.28Å; F267-M476 HydrophobicContact CZ-CB 3.87Å; F267-M476 HydrophobicContact CZ-CG 4.43Å; F267-M476 HydrophobicContact CZ-SD 3.76Å; I440-M476 HydrophobicContact CG2-CE 4.5Å; S441-M476 VanDerWaalsContact O-CE 3.22Å; S441-M476 WeakPolarHBondContact O-CE 3.46Å; V446-M476 WeakPolarHBondContact CG1-O 3.34Å; V446-M476 HydrophobicContact CG2-CB 4.01Å; V446-M476 HydrophobicContact CG2-CG 3.96Å; V446-M476 HydrophobicContact CG2-SD 4.5Å; C459-M476 HydrophobicContact CB-CE 4.18Å; C459-M476 HydrophobicContact CB-SD 4.01Å; I463-M476 HydrophobicContact CD1-SD 3.86Å; I463-M476 HydrophobicContact CG1-CE 4.39Å; I463-M476 HydrophobicContact CG1-SD 3.75Å; M472-M476 HydrophobicContact CG-CE 3.89Å; M472-M476 HydrophobicContact CG-SD 4.29Å; M472-M476 WeakPolarHBondContact O-CB 3.39Å; M472-M476 WeakPolarHBondContact O-CG 3.49Å; M472-M476 PolarHBondContact O-N 2.98Å; M472-M476 HydrophobicContact SD-CE 3.85Å; M472-M476 HydrophobicContact SD-CG 4.39Å; T474-M476 VanDerWaalsContact C-N 3.26Å; T474-M476 PolarHBondContact O-N 2.82Å; M476-A479 PolarHBondContact O-N 3.01Å; M476-L480 PolarHBondContact O-N 2.93Å
477I95.8Very high89.5Confident0 Ų053.9 Ų53.90%027%0.269CS..Hα-helixtrans-69.6-38.5178.2-72.7159.6000110.9F267 L290 Y294 I299 L473 T474 A479 L480 A481F267-I477 HydrophobicContact CB-CG1 4.24Å; F267-I477 HydrophobicContact CD1-CD1 4.32Å; F267-I477 HydrophobicContact CD1-CG1 3.95Å; F267-I477 HydrophobicContact CG-CG1 4.05Å; L290-I477 HydrophobicContact CB-CD1 3.99Å; L290-I477 HydrophobicContact CB-CG2 4.29Å; L290-I477 HydrophobicContact CD1-CD1 3.53Å; L290-I477 HydrophobicContact CG-CD1 4.38Å; Y294-I477 HydrophobicContact CD2-CG2 3.66Å; Y294-I477 HydrophobicContact CE2-CG2 4.35Å; Y294-I477 HydrophobicContact CG-CG2 4.18Å; I299-I477 HydrophobicContact CD1-CD1 3.62Å; I299-I477 HydrophobicContact CD1-CG1 4.06Å; I299-I477 HydrophobicContact CD1-CG2 3.79Å; I299-I477 HydrophobicContact CG1-CD1 4.27Å; I299-I477 HydrophobicContact CG1-CG1 4.47Å; I299-I477 HydrophobicContact CG2-CD1 4.28Å; L473-I477 HydrophobicContact CD1-CD1 3.62Å; L473-I477 HydrophobicContact CD1-CG1 4.43Å; L473-I477 HydrophobicContact CG-CD1 3.96Å; L473-I477 WeakPolarHBondContact O-CD1 3.16Å; L473-I477 WeakPolarHBondContact O-CG1 3.27Å; L473-I477 PolarHBondContact O-N 3.49Å; T474-I477 PolarHBondContact O-N 3.41Å; I477-A479 VanDerWaalsContact C-N 3.27Å; I477-A479 PolarHBondContact O-N 3.49Å; I477-L480 WeakPolarHBondContact O-CB 3.18Å; I477-L480 PolarHBondContact O-N 2.87Å; I477-A481 PolarHBondContact O-N 3.45Å
478E95Very high87.6Confident71 Ų7148.7 Ų48.733%0.33224%0.242SC..Hα-helixtrans-62.6-37.9174.7-57.8-157.415800111.2K293 Y294 T474 D475 A481 K482K293-E478 IonicContact NZ-OE1 3.68Å; K293-E478 PolarHBondContact NZ-OE1 2.84Å; Y294-E478 HydrophobicContact CE2-CG 3.8Å; Y294-E478 VanDerWaalsContact OH-CG 3.23Å; Y294-E478 WeakPolarHBondContact OH-CG 3.01Å; Y294-E478 PolarHBondContact OH-OE1 3.22Å; T474-E478 HydrophobicContact CG2-CG 4.08Å; T474-E478 VanDerWaalsContact O-CG 3.31Å; T474-E478 WeakPolarHBondContact O-CG 3.23Å; T474-E478 PolarHBondContact O-N 3.22Å; D475-E478 PolarHBondContact O-N 3.47Å; E478-A481 PolarHBondContact O-N 3.17Å; E478-K482 VanDerWaalsContact O-CB 3.27Å; E478-K482 WeakPolarHBondContact O-CB 3.48Å; E478-K482 PolarHBondContact O-N 2.95Å
479A94.1Very high85.6Confident11 Ų1150.4 Ų50.49%0.09125%0.247CC..Hα-helixtrans-65.9-39.9174.100000113.1A443 V446 D475 M476 I477 K482 A483A443-A479 HydrophobicContact CB-CB 3.93Å; A443-A479 WeakPolarHBondContact O-CB 3.21Å; V446-A479 HydrophobicContact CB-CB 4.33Å; V446-A479 HydrophobicContact CG1-CB 4.27Å; D475-A479 WeakPolarHBondContact O-CB 3.32Å; D475-A479 PolarHBondContact O-N 2.86Å; M476-A479 PolarHBondContact O-N 3.01Å; I477-A479 VanDerWaalsContact C-N 3.27Å; I477-A479 PolarHBondContact O-N 3.49Å; A479-K482 PolarHBondContact O-N 3.21Å; A479-A483 WeakPolarHBondContact O-CB 3.45Å; A479-A483 PolarHBondContact O-N 2.82Å
480L93Very high83.2Confident0 Ų051.7 Ų51.70%025%0.254CS..Hα-helixtrans-59.2-51.5173.1177.966.2000110.9P265 F267 C297 V446 M450 M476 I477 K482 A483 H484P265-L480 HydrophobicContact CB-CD1 3.9Å; P265-L480 HydrophobicContact CB-CD2 4.43Å; P265-L480 HydrophobicContact CB-CG 4.23Å; F267-L480 HydrophobicContact CB-CD2 3.66Å; C297-L480 HydrophobicContact CB-CD2 3.93Å; V446-L480 HydrophobicContact CG1-CB 3.85Å; M450-L480 HydrophobicContact CE-CD1 3.59Å; M450-L480 HydrophobicContact CG-CD1 3.46Å; M450-L480 VanDerWaalsContact CG-CD1 3.46Å; M450-L480 HydrophobicContact SD-CD1 3.51Å; M450-L480 VanDerWaalsContact SD-CD1 3.51Å; M476-L480 PolarHBondContact O-N 2.93Å; I477-L480 WeakPolarHBondContact O-CB 3.18Å; I477-L480 PolarHBondContact O-N 2.87Å; L480-K482 VanDerWaalsContact C-N 3.32Å; L480-K482 PolarHBondContact O-N 2.88Å; L480-A483 PolarHBondContact O-N 3.01Å; L480-H484 PolarHBondContact O-N 3.41Å
481A87.2Confident80.9Confident5 Ų554.8 Ų54.84%0.04127%0.265CS..Hα-helixtrans-61.1-41.7179.600000111.6Y294 I477 E478 H484 K485Y294-A481 HydrophobicContact CD1-CB 3.45Å; Y294-A481 VanDerWaalsContact CD1-CB 3.45Å; Y294-A481 HydrophobicContact CE1-CB 3.93Å; Y294-A481 HydrophobicContact CG-CB 4.08Å; I477-A481 PolarHBondContact O-N 3.45Å; E478-A481 PolarHBondContact O-N 3.17Å; A481-H484 PolarHBondContact O-N 3.31Å; A481-K485 WeakPolarHBondContact O-CB 3.47Å; A481-K485 PolarHBondContact O-N 3.24Å
482K85.8Confident78.9Confident106 Ų10653.8 Ų53.846%0.46126%0.261SS..Hα-helixtrans-60.6-49.7174.6-175.5-171.8171.9-1660111.7Y447 E478 A479 L480 H484 K485 E486Y447-K482 HydrophobicContact CD2-CB 4.5Å; Y447-K482 HydrophobicContact CD2-CD 4.15Å; Y447-K482 HydrophobicContact CD2-CG 4.33Å; Y447-K482 HydrophobicContact CE2-CD 4.1Å; Y447-K482 HydrophobicContact CE2-CG 4.1Å; E478-K482 VanDerWaalsContact O-CB 3.27Å; E478-K482 WeakPolarHBondContact O-CB 3.48Å; E478-K482 PolarHBondContact O-N 2.95Å; A479-K482 PolarHBondContact O-N 3.21Å; L480-K482 VanDerWaalsContact C-N 3.32Å; L480-K482 PolarHBondContact O-N 2.88Å; K482-H484 VanDerWaalsContact C-N 3.32Å; K482-H484 PolarHBondContact O-N 3.38Å; K482-K485 PolarHBondContact O-N 2.84Å; K482-E486 VanDerWaalsContact CE-CD 3.5Å; K482-E486 WeakPolarHBondContact CE-OE1 3.44Å; K482-E486 WeakPolarHBondContact CE-OE2 3.5Å; K482-E486 HydrophobicContact CG-CG 4.45Å; K482-E486 WeakPolarHBondContact O-CB 3.28Å; K482-E486 WeakPolarHBondContact O-CG 3.38Å; K482-E486 PolarHBondContact O-N 3.09Å
483A83.5Confident76.9Confident3 Ų353.6 Ų53.63%0.02526%0.261CS..Hα-helixtrans-61.1-41.1179.700000111.9Y447 M450 A479 L480 E486 R487Y447-A483 HydrophobicContact CD2-CB 3.67Å; Y447-A483 HydrophobicContact CE2-CB 3.94Å; Y447-A483 HydrophobicContact CG-CB 4.29Å; M450-A483 HydrophobicContact CB-CB 3.6Å; M450-A483 HydrophobicContact CG-CB 4.45Å; A479-A483 WeakPolarHBondContact O-CB 3.45Å; A479-A483 PolarHBondContact O-N 2.82Å; L480-A483 PolarHBondContact O-N 3.01Å; A483-E486 PolarHBondContact O-N 3.32Å; A483-R487 WeakPolarHBondContact O-CG 3.43Å; A483-R487 PolarHBondContact O-N 2.9Å
484H78.3Confident74.9Confident40 Ų4061.7 Ų61.719%0.18529%0.291CS..Hα-helixtrans-62.4-44.5175.1-179.664.2000112.2P265 L480 A481 K482 E486 R487P265-H484 HydrophobicContact CB-CB 4.38Å; P265-H484 HydrophobicContact CG-CB 3.77Å; L480-H484 PolarHBondContact O-N 3.41Å; A481-H484 PolarHBondContact O-N 3.31Å; K482-H484 VanDerWaalsContact C-N 3.32Å; K482-H484 PolarHBondContact O-N 3.38Å; H484-E486 VanDerWaalsContact C-N 3.34Å; H484-E486 PolarHBondContact O-N 2.67Å; H484-R487 PolarHBondContact O-N 2.93Å
485K70.4Confident73.1Confident164 Ų16467.7 Ų67.771%0.71332%0.316SS*.Hα-helixtrans-65.1-36.3177.6-174.8178.1179.4177.90112.7A481 K482A481-K485 WeakPolarHBondContact O-CB 3.47Å; A481-K485 PolarHBondContact O-N 3.24Å; K482-K485 PolarHBondContact O-N 2.84Å
486E69.8Low71.5Confident69 Ų6966.7 Ų66.732%0.32232%0.319SS..Hα-helixtrans-83.1-21.8-178.5-71.8177.7-18000113.2Y447 K482 A483 H484 D488 I489Y447-E486 VanDerWaalsContact CE2-OE2 3.28Å; Y447-E486 WeakPolarHBondContact CE2-OE2 3.38Å; Y447-E486 PolarHBondContact OH-OE2 2.92Å; K482-E486 VanDerWaalsContact CE-CD 3.5Å; K482-E486 WeakPolarHBondContact CE-OE1 3.44Å; K482-E486 WeakPolarHBondContact CE-OE2 3.5Å; K482-E486 HydrophobicContact CG-CG 4.45Å; K482-E486 WeakPolarHBondContact O-CB 3.28Å; K482-E486 WeakPolarHBondContact O-CG 3.38Å; K482-E486 PolarHBondContact O-N 3.09Å; A483-E486 PolarHBondContact O-N 3.32Å; H484-E486 VanDerWaalsContact C-N 3.34Å; H484-E486 PolarHBondContact O-N 2.67Å; E486-D488 PolarHBondContact O-N 2.99Å; E486-I489 WeakPolarHBondContact O-CG2 3.27Å
487R61Low69.7Low108 Ų10870.4 Ų70.441%0.40834%0.338SS..Hα-helixtrans-58.7-32.6167.1-86-175174-166.19.9111.8M450 A454 A483 H484 I489M450-R487 PolarHBondContact O-NE 2.79Å; M450-R487 PolarHBondContact O-NH2 2.94Å; A454-R487 PolarHBondContact O-NH2 3.48Å; A483-R487 WeakPolarHBondContact O-CG 3.43Å; A483-R487 PolarHBondContact O-N 2.9Å; H484-R487 PolarHBondContact O-N 2.93Å; R487-I489 PolarHBondContact O-N 3.4Å; R487-I489 VanDerWaalsContact O-N 3.14Å
488D52.8Low68.3Low72 Ų7277.8 Ų77.839%0.38537%0.37SS..  trans-81.984.5171.5-174.30.7000111.1E486 T490E486-D488 PolarHBondContact O-N 2.99Å; D488-T490 PolarHBondContact O-N 3.2Å; D488-T490 WeakPolarHBondContact OD1-CB 3.16Å; D488-T490 PolarHBondContact OD1-N 2.89Å; D488-T490 PolarHBondContact OD1-OG1 2.98Å
489I54Low67.2Low76 Ų7680 Ų8039%0.3938%0.384SS..THydrogen-bonded Turntrans-76.5-0.6175.965.1169.9000113.6E486 R487 L491 Q492 L493E486-I489 WeakPolarHBondContact O-CG2 3.27Å; R487-I489 PolarHBondContact O-N 3.4Å; R487-I489 VanDerWaalsContact O-N 3.14Å; I489-L491 VanDerWaalsContact C-N 3.27Å; I489-L491 PolarHBondContact O-N 3.09Å; I489-Q492 WeakPolarHBondContact O-CA 3.44Å; I489-Q492 WeakPolarHBondContact O-CB 3.34Å; I489-Q492 PolarHBondContact O-N 3.12Å; I489-L493 HydrophobicContact CD1-CD1 3.71Å; I489-L493 HydrophobicContact CG1-CD1 4Å; I489-L493 PolarHBondContact O-N 3.44Å
490T46.6Very low66.3Low65 Ų6582.4 Ų82.440%0.39940%0.4SS..Hα-helixtrans-55.4-42.2-174.4-52.20000112D488 L493 R494D488-T490 PolarHBondContact O-N 3.2Å; D488-T490 WeakPolarHBondContact OD1-CB 3.16Å; D488-T490 PolarHBondContact OD1-N 2.89Å; D488-T490 PolarHBondContact OD1-OG1 2.98Å; T490-L493 PolarHBondContact O-N 3.28Å; T490-R494 WeakPolarHBondContact O-CB 3.47Å; T490-R494 WeakPolarHBondContact O-CG 3.34Å; T490-R494 PolarHBondContact O-N 3.14Å
491L47Very low65.5Low100 Ų10085 Ų8552%0.52443%0.427SS..Hα-helixtrans-69.4-36.8177.6-73.9171.8000112.6I489 L493 R494 K495I489-L491 VanDerWaalsContact C-N 3.27Å; I489-L491 PolarHBondContact O-N 3.09Å; L491-L493 VanDerWaalsContact C-N 3.33Å; L491-R494 PolarHBondContact O-N 3.17Å; L491-K495 VanDerWaalsContact O-CB 3.3Å; L491-K495 WeakPolarHBondContact O-CB 3.47Å; L491-K495 PolarHBondContact O-N 3.07Å
492Q54Low64.7Low104 Ų10489 Ų8949%0.48645%0.447SS..Hα-helixtrans-66.9-40.6178.6-57.3169.88.800110.1I489 K495 A496I489-Q492 WeakPolarHBondContact O-CA 3.44Å; I489-Q492 WeakPolarHBondContact O-CB 3.34Å; I489-Q492 PolarHBondContact O-N 3.12Å; Q492-K495 PolarHBondContact O-N 3.4Å; Q492-A496 WeakPolarHBondContact O-CB 3.28Å; Q492-A496 PolarHBondContact O-N 3.45Å
493L56.4Low63.7Low42 Ų4292.5 Ų92.522%0.2247%0.465CS..Hα-helixtrans-62.7-50.9173.5-115.1137.5000112I489 T490 L491 K495 A496 I497 I509I489-L493 HydrophobicContact CD1-CD1 3.71Å; I489-L493 HydrophobicContact CG1-CD1 4Å; I489-L493 PolarHBondContact O-N 3.44Å; T490-L493 PolarHBondContact O-N 3.28Å; L491-L493 VanDerWaalsContact C-N 3.33Å; L493-K495 VanDerWaalsContact C-N 3.28Å; L493-K495 PolarHBondContact O-N 3.24Å; L493-A496 PolarHBondContact O-N 3.37Å; L493-A496 VanDerWaalsContact O-N 3.16Å; L493-I497 HydrophobicContact CD2-CD1 4.11Å; L493-I497 VanDerWaalsContact O-CG1 3.31Å; L493-I497 WeakPolarHBondContact O-CG1 3.5Å; L493-I497 PolarHBondContact O-N 2.94Å; L493-I509 HydrophobicContact CD1-CD1 3.46Å; L493-I509 VanDerWaalsContact CD1-CD1 3.46Å; L493-I509 HydrophobicContact CD1-CG1 4.03Å; L493-I509 HydrophobicContact CD2-CD1 3.59Å; L493-I509 HydrophobicContact CD2-CG1 3.84Å; L493-I509 HydrophobicContact CG-CD1 4.03Å; L493-I509 HydrophobicContact CG-CG1 4.26Å
494R55.1Low62.2Low169 Ų16999.2 Ų99.264%0.63850%0.501SS*.Hα-helixtrans-57.4-41.2175.6-74.9176.6-179.9170.22.2112T490 L491 K498T490-R494 WeakPolarHBondContact O-CB 3.47Å; T490-R494 WeakPolarHBondContact O-CG 3.34Å; T490-R494 PolarHBondContact O-N 3.14Å; L491-R494 PolarHBondContact O-N 3.17Å; R494-K498 WeakPolarHBondContact O-CB 3.43Å; R494-K498 PolarHBondContact O-N 2.9Å
495K59.1Low61.4Low138 Ų138100.3 Ų100.360%0.652%0.522SS*.Hα-helixtrans-67.7-42.1177.2-173.8178.4179.7-178.90111.8L491 Q492 L493 I497 K498 N499L491-K495 VanDerWaalsContact O-CB 3.3Å; L491-K495 WeakPolarHBondContact O-CB 3.47Å; L491-K495 PolarHBondContact O-N 3.07Å; Q492-K495 PolarHBondContact O-N 3.4Å; L493-K495 VanDerWaalsContact C-N 3.28Å; L493-K495 PolarHBondContact O-N 3.24Å; K495-I497 VanDerWaalsContact C-N 3.34Å; K495-K498 PolarHBondContact O-N 3.32Å; K495-N499 WeakPolarHBondContact O-CB 3.42Å; K495-N499 PolarHBondContact O-N 3.41Å
496A64.3Low60.5Low58 Ų5895.8 Ų95.848%0.47951%0.506SS..Hα-helixtrans-61.1-43.2175.800000111.3Q492 L493 N499 S500Q492-A496 WeakPolarHBondContact O-CB 3.28Å; Q492-A496 PolarHBondContact O-N 3.45Å; L493-A496 PolarHBondContact O-N 3.37Å; L493-A496 VanDerWaalsContact O-N 3.16Å; A496-N499 PolarHBondContact O-N 3.36Å; A496-S500 WeakPolarHBondContact O-CB 3.3Å; A496-S500 PolarHBondContact O-N 2.95Å
497I61.3Low59.6Low77 Ų7794.5 Ų94.540%0.39550%0.504SS..Hα-helixtrans-65.3-45.2175.2-65166.6000111.1L493 K495 N499 S500 C507L493-I497 HydrophobicContact CD2-CD1 4.11Å; L493-I497 VanDerWaalsContact O-CG1 3.31Å; L493-I497 WeakPolarHBondContact O-CG1 3.5Å; L493-I497 PolarHBondContact O-N 2.94Å; K495-I497 VanDerWaalsContact C-N 3.34Å; I497-N499 PolarHBondContact O-N 3.34Å; I497-S500 PolarHBondContact O-N 3.17Å; I497-S500 PolarHBondContact O-OG 3.35Å; I497-C507 HydrophobicContact CD1-CB 4.47Å; I497-C507 HydrophobicContact CG1-CB 4.4Å
498K65.2Low59.2Low156 Ų15691.9 Ų91.968%0.67851%0.505SS*.Hα-helixtrans-62.8-43.6177.2-173.7-179.6-179.6-178.90112R494 K495 S500 G501R494-K498 WeakPolarHBondContact O-CB 3.43Å; R494-K498 PolarHBondContact O-N 2.9Å; K495-K498 PolarHBondContact O-N 3.32Å; K498-S500 VanDerWaalsContact C-N 3.32Å; K498-G501 PolarHBondContact O-N 3.27Å
499N73Confident59.1Low118 Ų11892.4 Ų92.463%0.63151%0.507SS*.Hα-helixtrans-72.4-25.1-177.9-74.1-5.5000113K495 A496 I497 G501K495-N499 WeakPolarHBondContact O-CB 3.42Å; K495-N499 PolarHBondContact O-N 3.41Å; A496-N499 PolarHBondContact O-N 3.36Å; I497-N499 PolarHBondContact O-N 3.34Å; N499-G501 PolarHBondContact O-N 3.03Å
500S75.3Confident58.7Low60 Ų6093.7 Ų93.742%0.4252%0.519SS..Hα-helixtrans-67.4-21.6175.574.10000111.6A496 I497 K498 I502A496-S500 WeakPolarHBondContact O-CB 3.3Å; A496-S500 PolarHBondContact O-N 2.95Å; I497-S500 PolarHBondContact O-N 3.17Å; I497-S500 PolarHBondContact O-OG 3.35Å; K498-S500 VanDerWaalsContact C-N 3.32Å; S500-I502 PolarHBondContact O-N 3.39Å; S500-I502 VanDerWaalsContact O-N 3.13Å; S500-I502 WeakPolarHBondContact OG-CB 3.32Å; S500-I502 WeakPolarHBondContact OG-CG1 3.25Å; S500-I502 PolarHBondContact OG-N 2.71Å
501G75Confident58.6Low56 Ų5693.7 Ų93.758%0.57752%0.518SS*.THydrogen-bonded Turntrans67.25-175.100000113.2K498 N499 Q503K498-G501 PolarHBondContact O-N 3.27Å; N499-G501 PolarHBondContact O-N 3.03Å; G501-Q503 PolarHBondContact O-N 2.89Å
502I71.5Confident58.4Low87 Ų8794.9 Ų94.945%0.44653%0.533SS..  trans-70.5112.7176.9-62.5173.1000106.8S500 D504S500-I502 PolarHBondContact O-N 3.39Å; S500-I502 VanDerWaalsContact O-N 3.13Å; S500-I502 WeakPolarHBondContact OG-CB 3.32Å; S500-I502 WeakPolarHBondContact OG-CG1 3.25Å; S500-I502 PolarHBondContact OG-N 2.71Å; I502-D504 VanDerWaalsContact CG2-C 3.42Å; I502-D504 VanDerWaalsContact CG2-O 3.28Å; I502-D504 WeakPolarHBondContact CG2-O 3.33Å
503Q65Low58.1Low181 Ų18196.1 Ų96.185%0.84654%0.538SS*.SBendtrans-83.8-35.5172.7-61.8-167.1-13.900110.4G501G501-Q503 PolarHBondContact O-N 2.89Å
504D52Low57.3Low144 Ų14497.4 Ų97.477%0.7755%0.548SS*.SBendtrans-134.9117.6177.9-52-62.5000109I502I502-D504 VanDerWaalsContact CG2-C 3.42Å; I502-D504 VanDerWaalsContact CG2-O 3.28Å; I502-D504 WeakPolarHBondContact CG2-O 3.33Å
505G60.6Low56.6Low62 Ų6296.2 Ų96.264%0.63956%0.559SS**  trans166.3176.6178.700000115.5
506L51.2Low55.7Low70 Ų7093.7 Ų93.737%0.36656%0.558SS.*  trans-86125.2-175.2-162.492.5000112.6A508 I519 F520L506-A508 HydrophobicContact CD2-CB 4.2Å; L506-I519 HydrophobicContact CD1-CB 4.14Å; L506-I519 HydrophobicContact CD1-CG2 3.48Å; L506-I519 VanDerWaalsContact CD1-CG2 3.48Å; L506-I519 HydrophobicContact CD2-CB 4.35Å; L506-I519 HydrophobicContact CD2-CG1 4.2Å; L506-I519 HydrophobicContact CD2-CG2 3.95Å; L506-I519 HydrophobicContact CG-CG2 4.37Å; L506-F520 HydrophobicContact CD1-CB 3.9Å; L506-F520 WeakPolarHBondContact CD1-O 3.36Å
507C52.2Low54.6Low42 Ų4293.4 Ų93.428%0.28455%0.553SS.*  trans-99.1102.1163.4-168.70000109.8I497I497-C507 HydrophobicContact CD1-CB 4.47Å; I497-C507 HydrophobicContact CG1-CB 4.4Å
508A52.8Low53.6Low53 Ų5394.1 Ų94.144%0.43856%0.561SS.*  trans-88.4108.8171.400000109.5L506L506-A508 HydrophobicContact CD2-CB 4.2Å
509I48.9Very low52.5Low82 Ų8289.3 Ų89.342%0.42154%0.542SS..  trans-89.2108.8169.9-52.8153.5000107L493L493-I509 HydrophobicContact CD1-CD1 3.46Å; L493-I509 VanDerWaalsContact CD1-CD1 3.46Å; L493-I509 HydrophobicContact CD1-CG1 4.03Å; L493-I509 HydrophobicContact CD2-CD1 3.59Å; L493-I509 HydrophobicContact CD2-CG1 3.84Å; L493-I509 HydrophobicContact CG-CD1 4.03Å; L493-I509 HydrophobicContact CG-CG1 4.26Å
510T47.4Very low50.9Low104 Ų10488.7 Ų88.764%0.63853%0.534SS*.  trans-100.7124.8173.661.50000109.1
511T43.2Very low49.2Very low64 Ų6489.8 Ų89.839%0.39353%0.532SS..  trans-100.5152.716584.20000108.3H513 T514T511-H513 PolarHBondContact O-N 3.49Å; T511-H513 PolarHBondContact OG1-N 3.02Å; T511-H513 VanDerWaalsContact OG1-N 3.14Å; T511-T514 PolarHBondContact OG1-N 3.24Å; T511-T514 PolarHBondContact OG1-OG1 2.83Å; T511-T514 VanDerWaalsContact OG1-OG1 3.09Å
512P43.6Very low47.7Very low126 Ų12694.4 Ų94.482%0.81854%0.539SS*.THydrogen-bonded Turntrans-61-7171.6-19.931.3000114.1
513H47.3Very low46.8Very low129 Ų12997.9 Ų97.960%0.59755%0.547SS*.THydrogen-bonded Turntrans-114.7-7.8-167.7-64.3-57.9000114.7R415 T511R415-H513 PolarHBondContact NH1-CE1 3.11Å; R415-H513 PolarHBondContact NH1-NE2 2.9Å; T511-H513 PolarHBondContact O-N 3.49Å; T511-H513 PolarHBondContact OG1-N 3.02Å; T511-H513 VanDerWaalsContact OG1-N 3.14Å
514T39.6Very low46.3Very low69 Ų6991.3 Ų91.342%0.42352%0.519SS..  trans-129.2113.7173.252.30000109.2T511 C516T511-T514 PolarHBondContact OG1-N 3.24Å; T511-T514 PolarHBondContact OG1-OG1 2.83Å; T511-T514 VanDerWaalsContact OG1-OG1 3.09Å; T514-C516 PolarHBondContact O-N 3.39Å
515T39.6Very low47Very low145 Ų14591.8 Ų91.889%0.8952%0.517SS*.  trans-59.6-6.6162.924.70000112.7S517T515-S517 PolarHBondContact O-N 3.46Å; T515-S517 VanDerWaalsContact O-N 3.12Å
516C40.2Very low47.6Very low84 Ų8494 Ų9457%0.56851%0.514SS*.  trans-68.9102.5169.5-49.80000109.8T514T514-C516 PolarHBondContact O-N 3.39Å
517S41.6Very low48.9Very low53 Ų5396 Ų9637%0.37152%0.519SS..  trans-84117.3157-55.60000106.7T515T515-S517 PolarHBondContact O-N 3.46Å; T515-S517 VanDerWaalsContact O-N 3.12Å
518V39.9Very low50.2Low92 Ų9295.3 Ų95.356%0.55851%0.513SS*.  trans-80.5119.7167.2-178.70000106.8F520V518-F520 HydrophobicContact CG1-CE2 4.29Å; V518-F520 HydrophobicContact CG1-CZ 4.38Å
519I41.8Very low51.6Low55 Ų55103.2 Ų103.228%0.28253%0.532SS..  trans-116.7112.7-178.7-62.5-179.3000107.2L506 L543L506-I519 HydrophobicContact CD1-CB 4.14Å; L506-I519 HydrophobicContact CD1-CG2 3.48Å; L506-I519 VanDerWaalsContact CD1-CG2 3.48Å; L506-I519 HydrophobicContact CD2-CB 4.35Å; L506-I519 HydrophobicContact CD2-CG1 4.2Å; L506-I519 HydrophobicContact CD2-CG2 3.95Å; L506-I519 HydrophobicContact CG-CG2 4.37Å; I519-L543 HydrophobicContact CD1-CD1 3.92Å; I519-L543 HydrophobicContact CD1-CD2 4Å; I519-L543 HydrophobicContact CD1-CG 4.47Å
520F40.3Very low53.1Low105 Ų105105.9 Ų105.946%0.46154%0.54SS..PPolyproline II helixtrans-71.7121.3168.8-61.2-87.4000112L506 V518L506-F520 HydrophobicContact CD1-CB 3.9Å; L506-F520 WeakPolarHBondContact CD1-O 3.36Å; V518-F520 HydrophobicContact CG1-CE2 4.29Å; V518-F520 HydrophobicContact CG1-CZ 4.38Å
521E39.8Very low54.6Low83 Ų83102.7 Ų102.739%0.38853%0.528SS..PPolyproline II helixtrans-95.8133.7178.7-171.9170.5-141.500109.9
522E43.4Very low56.1Low153 Ų153103.1 Ų103.172%0.71553%0.528SS*.PPolyproline II helixtrans-93.1126.8159.3-166.8179.8-164.900107V524E522-V524 WeakPolarHBondContact O-CG2 3.27Å; E522-V524 PolarHBondContact O-N 3.28Å
523Y52.1Low57.5Low159 Ų15998 Ų9862%0.62449%0.493SS*.PPolyproline II helixtrans-65120.5-176.5-165.5-97.6000110.6H525Y523-H525 AromaticContact CD1-CE1 3.89Å; Y523-H525 AromaticContact CE1-CE1 3.68Å; Y523-H525 AromaticContact CE1-ND1 3.73Å
524V55.8Low58.7Low44 Ų4496.8 Ų96.827%0.26749%0.486SS..  trans-116126.8179.9-1620000110.2E522 D526 L535E522-V524 WeakPolarHBondContact O-CG2 3.27Å; E522-V524 PolarHBondContact O-N 3.28Å; V524-D526 HydrophobicContact CG1-CB 4.38Å; V524-D526 PolarHBondContact O-N 3.43Å; V524-L535 HydrophobicContact CG2-CB 3.97Å; V524-L535 HydrophobicContact CG2-CD2 3.65Å; V524-L535 HydrophobicContact CG2-CG 4.36Å
525H65.1Low59.9Low154 Ų15497.5 Ų97.571%0.71349%0.487SS*.  trans-72.4-7.8-176.8-67-61.4000115.2Y523 K527Y523-H525 AromaticContact CD1-CE1 3.89Å; Y523-H525 AromaticContact CE1-CE1 3.68Å; Y523-H525 AromaticContact CE1-ND1 3.73Å; H525-K527 PolarHBondContact O-N 2.93Å
526D74.7Confident61.2Low109 Ų10994.4 Ų94.458%0.58346%0.462SS*.  trans-83.5113.6-174.5-69.2-25.3000110.7V524 E533 F534V524-D526 HydrophobicContact CG1-CB 4.38Å; V524-D526 PolarHBondContact O-N 3.43Å; D526-E533 WeakPolarHBondContact O-CA 3.22Å; D526-F534 HydrophobicContact CB-CD2 3.97Å; D526-F534 PolarHBondContact O-N 3.22Å
527K76.8Confident62.8Low110 Ų11091.8 Ų91.848%0.47844%0.443SS..BIsolated β-bridgetrans-110.2143.2-179.6-65.8179.7175.7-154.70111.6H525 G531 D532 E533 F534H525-K527 PolarHBondContact O-N 2.93Å; K527-G531 WeakPolarHBondContact CD-O 3.41Å; K527-D532 CarbonylContact C-O 3.44Å; K527-D532 VanDerWaalsContact CA-O 3.23Å; K527-D532 WeakPolarHBondContact CA-O 3.31Å; K527-E533 HydrophobicContact CG-CG 4.14Å; K527-F534 VanDerWaalsContact C-CE2 3.45Å; K527-F534 WeakPolarHBondContact O-CE2 3.44Å
528D79.7Confident64.1Low28 Ų2892.9 Ų92.915%0.1545%0.445CS..  trans-73.3-177.9171.984.6-6.1000111.5K530 G531 D532 F534D528-K530 PolarHBondContact O-N 3.33Å; D528-K530 VanDerWaalsContact O-N 3.16Å; D528-K530 WeakPolarHBondContact OD1-CA 3.49Å; D528-K530 VanDerWaalsContact OD1-CB 3.31Å; D528-K530 WeakPolarHBondContact OD1-CB 3.38Å; D528-K530 PolarHBondContact OD1-N 2.88Å; D528-G531 PolarHBondContact O-N 2.87Å; D528-G531 PolarHBondContact OD1-N 3.33Å; D528-G531 VanDerWaalsContact OD1-N 3.12Å; D528-D532 PolarHBondContact N-O 3.25Å; D528-D532 PolarHBondContact OD1-N 2.95Å; D528-F534 HydrophobicContact CB-CD1 4.27Å; D528-F534 HydrophobicContact CB-CE1 3.85Å; D528-F534 HydrophobicContact CB-CE2 4.23Å; D528-F534 HydrophobicContact CB-CZ 3.83Å
529W82.9Confident65.4Low220 Ų22091 Ų9183%0.83343%0.431SS*.THydrogen-bonded Turntrans-67.2-12.6-178.565.6-87.5000114.2
530K80.3Confident66.7Low138 Ų13892.6 Ų92.660%0.644%0.439SS*.THydrogen-bonded Turntrans-93-10.4173.3-62.5-175.7177.8-178.80112.6D528D528-K530 PolarHBondContact O-N 3.33Å; D528-K530 VanDerWaalsContact O-N 3.16Å; D528-K530 WeakPolarHBondContact OD1-CA 3.49Å; D528-K530 VanDerWaalsContact OD1-CB 3.31Å; D528-K530 WeakPolarHBondContact OD1-CB 3.38Å; D528-K530 PolarHBondContact OD1-N 2.88Å
531G79.3Confident68.1Low36 Ų3694.4 Ų94.437%0.37144%0.443SS..SBendtrans90.47.9-174.800000113.7K527 D528K527-G531 WeakPolarHBondContact CD-O 3.41Å; D528-G531 PolarHBondContact O-N 2.87Å; D528-G531 PolarHBondContact OD1-N 3.33Å; D528-G531 VanDerWaalsContact OD1-N 3.12Å
532D74.8Confident69.5Low73 Ų7395.2 Ų95.239%0.3945%0.449SS..  trans-81.3139.9176.4-59.5-35.8000109.1K527 D528 F534 V537K527-D532 CarbonylContact C-O 3.44Å; K527-D532 VanDerWaalsContact CA-O 3.23Å; K527-D532 WeakPolarHBondContact CA-O 3.31Å; D528-D532 PolarHBondContact N-O 3.25Å; D528-D532 PolarHBondContact OD1-N 2.95Å; D532-F534 PolarHBondContact O-N 3.09Å; D532-V537 HydrophobicContact CB-CG2 3.61Å
533E72.1Confident70.3Confident19 Ų1990.5 Ų90.59%0.08943%0.428CS..BIsolated β-bridgetrans-68.2129.7178.3-66.5-174-179.400110.5D526 K527 L535 Q536 V537D526-E533 WeakPolarHBondContact O-CA 3.22Å; K527-E533 HydrophobicContact CG-CG 4.14Å; E533-L535 PolarHBondContact O-N 2.78Å; E533-Q536 HydrophobicContact CB-CB 4.11Å; E533-Q536 WeakPolarHBondContact O-CB 3.37Å; E533-Q536 PolarHBondContact O-N 3.04Å; E533-Q536 VanDerWaalsContact O-N 3.09Å; E533-V537 WeakPolarHBondContact O-CG2 3.45Å; E533-V537 PolarHBondContact O-N 2.92Å
534F72.2Confident70.8Confident103 Ų10386.3 Ų86.345%0.45242%0.417SS..Hα-helixtrans-56.3-40.7-175.6-87.2-73.5000112D526 K527 D528 D532 V537 D538D526-F534 HydrophobicContact CB-CD2 3.97Å; D526-F534 PolarHBondContact O-N 3.22Å; K527-F534 VanDerWaalsContact C-CE2 3.45Å; K527-F534 WeakPolarHBondContact O-CE2 3.44Å; D528-F534 HydrophobicContact CB-CD1 4.27Å; D528-F534 HydrophobicContact CB-CE1 3.85Å; D528-F534 HydrophobicContact CB-CE2 4.23Å; D528-F534 HydrophobicContact CB-CZ 3.83Å; D532-F534 PolarHBondContact O-N 3.09Å; F534-V537 PolarHBondContact O-N 3.41Å; F534-D538 PolarHBondContact O-N 2.96Å
535L66Low71Confident84 Ų8492.6 Ų92.644%0.4444%0.441SS..Hα-helixtrans-64.2-45179.2-164.376.6000110.9V524 E533 V537 D538 Q539V524-L535 HydrophobicContact CG2-CB 3.97Å; V524-L535 HydrophobicContact CG2-CD2 3.65Å; V524-L535 HydrophobicContact CG2-CG 4.36Å; E533-L535 PolarHBondContact O-N 2.78Å; L535-V537 VanDerWaalsContact C-N 3.32Å; L535-V537 PolarHBondContact O-N 3.06Å; L535-D538 PolarHBondContact O-N 3.1Å; L535-Q539 VanDerWaalsContact O-CB 3.27Å; L535-Q539 WeakPolarHBondContact O-CB 3.23Å; L535-Q539 PolarHBondContact O-N 3.11Å
536Q67.2Low70.5Confident81 Ų8191.4 Ų91.438%0.37944%0.439SS..Hα-helixtrans-61.1-41.3176.5-166.6-175.634.400111.6E533 Q539 N540E533-Q536 HydrophobicContact CB-CB 4.11Å; E533-Q536 WeakPolarHBondContact O-CB 3.37Å; E533-Q536 PolarHBondContact O-N 3.04Å; E533-Q536 VanDerWaalsContact O-N 3.09Å; Q536-Q539 PolarHBondContact O-N 3.38Å; Q536-N540 VanDerWaalsContact O-CB 3.31Å; Q536-N540 WeakPolarHBondContact O-CB 3.39Å; Q536-N540 VanDerWaalsContact O-CG 3.29Å; Q536-N540 PolarHBondContact O-N 2.82Å; Q536-N540 PolarHBondContact O-ND2 3.05Å
537V72.4Confident69.8Low28 Ų2891.1 Ų91.117%0.1744%0.436CS..Hα-helixtrans-64-45.4176.2174.10000111.4D532 E533 F534 L535 N540 R541D532-V537 HydrophobicContact CB-CG2 3.61Å; E533-V537 WeakPolarHBondContact O-CG2 3.45Å; E533-V537 PolarHBondContact O-N 2.92Å; F534-V537 PolarHBondContact O-N 3.41Å; L535-V537 VanDerWaalsContact C-N 3.32Å; L535-V537 PolarHBondContact O-N 3.06Å; V537-N540 PolarHBondContact O-N 2.79Å; V537-R541 VanDerWaalsContact O-CG 3.32Å; V537-R541 WeakPolarHBondContact O-CG 3.43Å; V537-R541 PolarHBondContact O-N 3.15Å
538D70Confident68.7Low76 Ų7690.4 Ų90.441%0.40644%0.443SS..Hα-helixtrans-68-36.5178.7-81.6-13.7000112.2F534 L535 R541 I542F534-D538 PolarHBondContact O-N 2.96Å; L535-D538 PolarHBondContact O-N 3.1Å; D538-R541 WeakPolarHBondContact O-CB 3.18Å; D538-R541 PolarHBondContact O-N 3.12Å; D538-R541 IonicContact OD1-CZ 2.69Å; D538-R541 IonicContact OD1-NH1 3.63Å; D538-R541 PolarHBondContact OD1-NH1 2.94Å; D538-I542 WeakPolarHBondContact O-CG1 3.32Å; D538-I542 PolarHBondContact O-N 3.08Å
539Q67.2Low67.2Low54 Ų5497 Ų9725%0.25247%0.466SS..Hα-helixtrans-66.6-44.6175-157.517443.100111.2L535 Q536 R541 I542 L543L535-Q539 VanDerWaalsContact O-CB 3.27Å; L535-Q539 WeakPolarHBondContact O-CB 3.23Å; L535-Q539 PolarHBondContact O-N 3.11Å; Q536-Q539 PolarHBondContact O-N 3.38Å; Q539-R541 VanDerWaalsContact C-N 3.26Å; Q539-R541 PolarHBondContact O-N 3.41Å; Q539-I542 PolarHBondContact O-N 3.23Å; Q539-I542 VanDerWaalsContact O-N 3.08Å; Q539-L543 WeakPolarHBondContact O-CB 3.46Å; Q539-L543 WeakPolarHBondContact O-CG 3.46Å; Q539-L543 PolarHBondContact O-N 2.82Å
540N68.5Low65.7Low87 Ų8791.9 Ų91.947%0.46545%0.451SS..Hα-helixtrans-57.2-39.5171.5-80-31000111.7Q536 V537 L543 D544Q536-N540 VanDerWaalsContact O-CB 3.31Å; Q536-N540 WeakPolarHBondContact O-CB 3.39Å; Q536-N540 VanDerWaalsContact O-CG 3.29Å; Q536-N540 PolarHBondContact O-N 2.82Å; Q536-N540 PolarHBondContact O-ND2 3.05Å; V537-N540 PolarHBondContact O-N 2.79Å; N540-L543 PolarHBondContact O-N 2.98Å; N540-D544 WeakPolarHBondContact O-CB 3.44Å; N540-D544 PolarHBondContact O-N 3.45Å
541R71Confident64.4Low144 Ų14494 Ų9454%0.54346%0.457SS..Hα-helixtrans-67.4-34.6175.1-73.4170.1-179.8158.11113.2V537 D538 Q539 K545V537-R541 VanDerWaalsContact O-CG 3.32Å; V537-R541 WeakPolarHBondContact O-CG 3.43Å; V537-R541 PolarHBondContact O-N 3.15Å; D538-R541 WeakPolarHBondContact O-CB 3.18Å; D538-R541 PolarHBondContact O-N 3.12Å; D538-R541 IonicContact OD1-CZ 2.69Å; D538-R541 IonicContact OD1-NH1 3.63Å; D538-R541 PolarHBondContact OD1-NH1 2.94Å; Q539-R541 VanDerWaalsContact C-N 3.26Å; Q539-R541 PolarHBondContact O-N 3.41Å; R541-K545 VanDerWaalsContact O-CG 3.32Å; R541-K545 WeakPolarHBondContact O-CG 3.32Å; R541-K545 PolarHBondContact O-N 3.34Å
542I68.3Low62.8Low99 Ų9996 Ų9651%0.50846%0.461SS..Hα-helixtrans-70.2-44.7174.8-69.8167.7000109.6D538 Q539 K545 L546D538-I542 WeakPolarHBondContact O-CG1 3.32Å; D538-I542 PolarHBondContact O-N 3.08Å; Q539-I542 PolarHBondContact O-N 3.23Å; Q539-I542 VanDerWaalsContact O-N 3.08Å; I542-K545 WeakPolarHBondContact O-CB 3.4Å; I542-K545 PolarHBondContact O-N 2.75Å; I542-K545 VanDerWaalsContact O-N 3.12Å; I542-L546 HydrophobicContact CG2-CD1 3.7Å; I542-L546 HydrophobicContact CG2-CG 4.34Å; I542-L546 WeakPolarHBondContact O-CG 3.34Å; I542-L546 PolarHBondContact O-N 3.12Å
543L59.6Low61.5Low54 Ų54101.1 Ų101.128%0.28348%0.483SS..Hα-helixtrans-62.3-46.4177.4-71.4172.6000111.6I519 Q539 N540 K545 L546 I547I519-L543 HydrophobicContact CD1-CD1 3.92Å; I519-L543 HydrophobicContact CD1-CD2 4Å; I519-L543 HydrophobicContact CD1-CG 4.47Å; Q539-L543 WeakPolarHBondContact O-CB 3.46Å; Q539-L543 WeakPolarHBondContact O-CG 3.46Å; Q539-L543 PolarHBondContact O-N 2.82Å; N540-L543 PolarHBondContact O-N 2.98Å; L543-K545 PolarHBondContact O-N 2.84Å; L543-K545 VanDerWaalsContact O-N 3.11Å; L543-L546 PolarHBondContact O-N 3.02Å; L543-L546 VanDerWaalsContact O-N 3.1Å; L543-I547 CarbonylContact O-C 3.54Å; L543-I547 WeakPolarHBondContact O-CA 3.31Å; L543-I547 PolarHBondContact O-N 2.81Å; L543-I547 VanDerWaalsContact O-O 3.11Å
544D62.8Low60.4Low72 Ų72104.8 Ų104.839%0.38551%0.511SS..Hα-helixtrans-59.1-25.6175.2-100.9-5.3000112.5N540 P548N540-D544 WeakPolarHBondContact O-CB 3.44Å; N540-D544 PolarHBondContact O-N 3.45Å; D544-P548 WeakPolarHBondContact O-CA 3.44Å
545K61.2Low59.2Low175 Ų175103.9 Ų103.976%0.76151%0.511SS*.Hα-helixtrans-83.8-35.8175.4-74.8174.8-177.3176.70113.4R541 I542 L543R541-K545 VanDerWaalsContact O-CG 3.32Å; R541-K545 WeakPolarHBondContact O-CG 3.32Å; R541-K545 PolarHBondContact O-N 3.34Å; I542-K545 WeakPolarHBondContact O-CB 3.4Å; I542-K545 PolarHBondContact O-N 2.75Å; I542-K545 VanDerWaalsContact O-N 3.12Å; L543-K545 PolarHBondContact O-N 2.84Å; L543-K545 VanDerWaalsContact O-N 3.11Å
546L54.6Low58.1Low130 Ų130107.2 Ų107.268%0.68152%0.519SS*.Hα-helixtrans-81.2-36.9-179.8-71.2171.8000111.7I542 L543I542-L546 HydrophobicContact CG2-CD1 3.7Å; I542-L546 HydrophobicContact CG2-CG 4.34Å; I542-L546 WeakPolarHBondContact O-CG 3.34Å; I542-L546 PolarHBondContact O-N 3.12Å; L543-L546 PolarHBondContact O-N 3.02Å; L543-L546 VanDerWaalsContact O-N 3.1Å
547I58.7Low57.1Low102 Ų102111 Ų11152%0.52354%0.54SS..SBendtrans-134.989.4-176.8-49.6176.8000106.9L543 R549L543-I547 CarbonylContact O-C 3.54Å; L543-I547 WeakPolarHBondContact O-CA 3.31Å; L543-I547 PolarHBondContact O-N 2.81Å; L543-I547 VanDerWaalsContact O-O 3.11Å; I547-R549 PolarHBondContact O-N 3.16Å
548P53.7Low55.5Low95 Ų95120.1 Ų120.162%0.61757%0.573SS**PPolyproline II helixtrans-57133.1-179.6-20.830.5000110.9D544 Q550D544-P548 WeakPolarHBondContact O-CA 3.44Å; P548-Q550 PolarHBondContact O-N 3.04Å
549R49.6Very low54.3Low168 Ų168120.5 Ų120.563%0.63458%0.58SS**PPolyproline II helixtrans-55.3126173.2-126.1172.3178.3159.30110.2I547 Y551I547-R549 PolarHBondContact O-N 3.16Å; R549-Y551 HydrophobicContact CB-CD2 4.45Å; R549-Y551 HydrophobicContact CB-CE1 4.15Å; R549-Y551 HydrophobicContact CB-CE2 3.75Å; R549-Y551 HydrophobicContact CG-CE1 4.49Å; R549-Y551 WeakPolarHBondContact O-CD2 3.26Å; R549-Y551 VanDerWaalsContact O-CE2 3.26Å; R549-Y551 WeakPolarHBondContact O-CE2 3.18Å
550Q49.9Very low53Low112 Ų112119.8 Ų119.852%0.52359%0.587SS.*PPolyproline II helixtrans-84.2118.6171.9-66.4-147.2-1500109.7P548 D555P548-Q550 PolarHBondContact O-N 3.04Å; Q550-D555 PolarHBondContact NE2-O 3.26Å; Q550-D555 PolarHBondContact OE1-O 2.98Å; Q550-D555 VanDerWaalsContact OE1-O 3.14Å
551Y53.7Low51.8Low183 Ų183121.5 Ų121.572%0.71860%0.603SS**  trans-100.4-5-174.8-64.4-78.2000113.7R549R549-Y551 HydrophobicContact CB-CD2 4.45Å; R549-Y551 HydrophobicContact CB-CE1 4.15Å; R549-Y551 HydrophobicContact CB-CE2 3.75Å; R549-Y551 HydrophobicContact CG-CE1 4.49Å; R549-Y551 WeakPolarHBondContact O-CD2 3.26Å; R549-Y551 VanDerWaalsContact O-CE2 3.26Å; R549-Y551 WeakPolarHBondContact O-CE2 3.18Å
552T45.2Very low50.4Low76 Ų76118.7 Ų118.747%0.46661%0.61SS.*SBendtrans-138136.5-177.245.80000110S554 D555T552-S554 PolarHBondContact O-N 3.2Å; T552-S554 VanDerWaalsContact O-N 3.08Å; T552-D555 PolarHBondContact O-N 3.34Å; T552-D555 PolarHBondContact OG1-OD2 3.08Å
553E47.7Very low49.1Very low181 Ų181121.3 Ų121.385%0.84662%0.62SS**G310 helixtrans-61.1-17.5179.4-71-178.9158.300113.4D555E553-D555 VanDerWaalsContact C-N 3.27Å; E553-D555 PolarHBondContact O-N 3.19Å
554S49.6Very low48.1Very low96 Ų96127.6 Ų127.667%0.67165%0.645SS**G310 helixtrans-70.7-16.5-179.159.90000115T552T552-S554 PolarHBondContact O-N 3.2Å; T552-S554 VanDerWaalsContact O-N 3.08Å
555D46.2Very low46.7Very low85 Ų85128 Ų12846%0.45566%0.658SS.*G310 helixtrans-95.56.2-173.9-64.8-9.9000112.9Q550 T552 E553 L557Q550-D555 PolarHBondContact NE2-O 3.26Å; Q550-D555 PolarHBondContact OE1-O 2.98Å; Q550-D555 VanDerWaalsContact OE1-O 3.14Å; T552-D555 PolarHBondContact O-N 3.34Å; T552-D555 PolarHBondContact OG1-OD2 3.08Å; E553-D555 VanDerWaalsContact C-N 3.27Å; E553-D555 PolarHBondContact O-N 3.19Å; D555-L557 PolarHBondContact O-N 3.15Å; D555-L557 VanDerWaalsContact O-N 3.07Å
556Y43Very low45.6Very low154 Ų154125.9 Ų125.960%0.60466%0.656SS**  trans-64.6104.4164.2-90.6-91.8000109.1Y558 P559Y556-Y558 PolarHBondContact O-N 3.07Å; Y556-P559 WeakPolarHBondContact O-CD 3.47Å
557L45.6Very low44.8Very low160 Ų160126.3 Ų126.384%0.83866%0.658SS**SBendtrans-68.1-13.6177.7-78.5166.3000113.3D555D555-L557 PolarHBondContact O-N 3.15Å; D555-L557 VanDerWaalsContact O-N 3.07Å
558Y40.2Very low43.7Very low219 Ų219131.3 Ų131.386%0.85967%0.671SS**  trans-151.276.7-180-90.8-89.9000113.1Y556 G560Y556-Y558 PolarHBondContact O-N 3.07Å; Y558-G560 PolarHBondContact O-N 3.14Å
559P45.3Very low42.8Very low84 Ų84135 Ų13555%0.54568%0.679SS.*  trans-76.5112.9165.229.2-28.3000108.8Y556Y556-P559 WeakPolarHBondContact O-CD 3.47Å
560G38.7Very low42.1Very low39 Ų39131.2 Ų131.240%0.40268%0.675SS.*  trans-57.3159.7174.400000112.9Y558 A562 H563Y558-G560 PolarHBondContact O-N 3.14Å; G560-A562 PolarHBondContact O-N 3.34Å; G560-H563 PolarHBondContact O-N 3.48Å; G560-H563 VanDerWaalsContact O-N 3.08Å
561P42.6Very low41.4Very low124 Ų124131.3 Ų131.381%0.80569%0.685SS**G310 helixtrans-58.1-19.8-172.317.7-29.2000115.1H563 K564P561-H563 PolarHBondContact O-N 3.34Å; P561-H563 VanDerWaalsContact O-N 3.15Å; P561-K564 PolarHBondContact O-N 3.08Å
562A43.3Very low40.5Very low84 Ų84132.2 Ų132.269%0.69469%0.693SS**G310 helixtrans-61.6-17.6174.900000114.1G560G560-A562 PolarHBondContact O-N 3.34Å
563H39.5Very low40.1Very low155 Ų155139.7 Ų139.772%0.71873%0.73SS**G310 helixtrans-91.90.4177.9-71.1132.1000115G560 P561 A565G560-H563 PolarHBondContact O-N 3.48Å; G560-H563 VanDerWaalsContact O-N 3.08Å; P561-H563 PolarHBondContact O-N 3.34Å; P561-H563 VanDerWaalsContact O-N 3.15Å; H563-A565 VanDerWaalsContact C-N 3.33Å
564K38.1Very low39.7Very low185 Ų185137.6 Ų137.680%0.80473%0.725SS**G310 helixtrans-86.10.1169-74.4-168.5176.8-178.10114P561P561-K564 PolarHBondContact O-N 3.08Å
565A35.3Very low39.2Very low80 Ų80139.8 Ų139.866%0.66173%0.727SS**  trans-86.2-3.7-172.600000115.2H563 D567H563-A565 VanDerWaalsContact C-N 3.33Å; A565-D567 PolarHBondContact O-N 2.87Å
566N36.5Very low38.8Very low132 Ų132142.8 Ų142.871%0.70674%0.742SS**  trans-99.756.4177.6-71.8-17.4000111.8W568N566-W568 PolarHBondContact O-N 3.39Å
567D38.5Very low38.5Very low138 Ų138142.2 Ų142.274%0.73875%0.751SS**  trans-69.863.1155.8-90.1-24.6000108.9A565 H569A565-D567 PolarHBondContact O-N 2.87Å; D567-H569 PolarHBondContact O-N 3.04Å
568W35Very low38.1Very low207 Ų207141.1 Ų141.178%0.78475%0.745SS**  trans-79.583.7163.2-82.287.4000107.7N566 V570N566-W568 PolarHBondContact O-N 3.39Å; W568-V570 HydrophobicContact CB-CG2 4.48Å; W568-V570 HydrophobicContact CE3-CG2 3.99Å; W568-V570 PolarHBondContact O-N 2.88Å
569H35.7Very low37.9Very low172 Ų172135.9 Ų135.980%0.79674%0.738SS**  trans-58.286.2154.1-77.2-48.4000109.1D567D567-H569 PolarHBondContact O-N 3.04Å
570V35.4Very low37.4Very low90 Ų90139.6 Ų139.655%0.54575%0.751SS.*  trans-110.9109.3157.1-167.30000106.1W568 F572W568-V570 HydrophobicContact CB-CG2 4.48Å; W568-V570 HydrophobicContact CE3-CG2 3.99Å; W568-V570 PolarHBondContact O-N 2.88Å; V570-F572 PolarHBondContact O-N 3.25Å
571P35.3Very low37.3Very low113 Ų113147.3 Ų147.373%0.73478%0.778SS**  trans-64122.3174.5-1.814.5000108D573P571-D573 PolarHBondContact O-N 3.33Å
572F34.8Very low36.9Very low203 Ų203149.3 Ų149.389%0.8978%0.776SS**  trans-75.1107158.1-69.6-84.1000106.9V570V570-F572 PolarHBondContact O-N 3.25Å
573D35.2Very low36.3Very low232 Ų232155.2 Ų155.2100%1.24178%0.783SS**  trans-74.30150.4-90.2-24.9000110P571P571-D573 PolarHBondContact O-N 3.33Å

Retrieved 573 of 573 residues in 3885.5 ms (Link to these results)

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