A0A077ZFY7_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077ZFY7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 238 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
1M62.9Low90.9Very high239 Ų23986.9 Ų86.9100%1.17742%0.42SS*.  0142.20-73.7176.6173.700108.3
2R83.3Confident91Very high209 Ų20981.8 Ų81.879%0.78940%0.396SS*.  trans-74.5126.6175-68.4-176.3-178.4-180-0.1108.9L30R2-L30 HydrophobicContact CB-CD1 4.31Å
3V92.5Very high90.9Very high43 Ų4375.6 Ų75.626%0.26137%0.366SS..SBendtrans-83.3-37.1179.8178.70000110.9L30 I35V3-L30 PolarHBondContact O-N 3.23Å; V3-I35 HydrophobicContact CG1-CG2 4.14Å
4I96.2Very high90.2Very high8 Ų870.7 Ų70.74%0.04134%0.342CS..EExtended strand (participates in β ladder)trans-126.2153.8-178.558.3172.2000111.4L27 K28 I35 V84 A86 T112 L114I4-L27 HydrophobicContact CB-CD1 3.97Å; I4-L27 HydrophobicContact CD1-CD1 4.34Å; I4-L27 HydrophobicContact CG2-CD1 4.29Å; I4-K28 WeakPolarHBondContact CA-O 3.4Å; I4-I35 HydrophobicContact CG2-CD1 3.39Å; I4-V84 HydrophobicContact CD1-CG1 4.12Å; I4-A86 HydrophobicContact CD1-CB 3.98Å; I4-A86 HydrophobicContact CG2-CB 3.55Å; I4-T112 HydrophobicContact CG1-CG2 4.43Å; I4-L114 HydrophobicContact CD1-CB 4.16Å
5E96Very high89.1Confident78 Ų7866.9 Ų66.936%0.36433%0.329SS..EExtended strand (participates in β ladder)trans-132.3142.8172177.6175.7-115.800109.7L27 K28 L30E5-L27 WeakPolarHBondContact O-CA 3.05Å; E5-K28 HydrophobicContact CB-CB 4.42Å; E5-K28 PolarHBondContact N-O 3.44Å; E5-K28 PolarHBondContact O-N 2.94Å; E5-L30 HydrophobicContact CB-CD1 3.83Å; E5-L30 HydrophobicContact CB-CD2 4.27Å; E5-L30 HydrophobicContact CB-CG 4Å
6V96.6Very high88.2Confident5 Ų568.9 Ų68.93%0.0334%0.335CS..EExtended strand (participates in β ladder)trans-124.6131.3179.9168.60000108.4F25 T26 L27 V84 L114 L116V6-F25 HydrophobicContact CG1-CB 4.25Å; V6-F25 HydrophobicContact CG1-CD2 3.65Å; V6-F25 HydrophobicContact CG1-CE2 4.28Å; V6-F25 HydrophobicContact CG1-CG 4.19Å; V6-F25 HydrophobicContact CG2-CD2 4.4Å; V6-F25 HydrophobicContact CG2-CE2 4.41Å; V6-T26 WeakPolarHBondContact CA-O 3.18Å; V6-L27 HydrophobicContact CG2-CD1 3.73Å; V6-V84 HydrophobicContact CG2-CG2 4.34Å; V6-L114 HydrophobicContact CB-CD1 4.45Å; V6-L114 HydrophobicContact CB-CD2 4.05Å; V6-L114 HydrophobicContact CG2-CD1 4.35Å; V6-L114 HydrophobicContact CG2-CD2 3.92Å; V6-L116 HydrophobicContact CG1-CD1 4.02Å; V6-L116 HydrophobicContact CG1-CD2 3.91Å; V6-L116 HydrophobicContact CG1-CG 4.39Å
7E95.3Very high87.3Confident107 Ų10769.6 Ų69.650%0.534%0.337SS..EExtended strand (participates in β ladder)trans-133.8120.6-180-173.8178.2-177.300109.4F25 T26 K28E7-F25 CarbonylContact O-C 3.48Å; E7-F25 WeakPolarHBondContact O-CA 3.36Å; E7-T26 PolarHBondContact N-O 3.3Å; E7-T26 PolarHBondContact O-N 2.73Å; E7-K28 IonicContact OE2-NZ 3.76Å; E7-K28 PolarHBondContact OE2-NZ 2.85Å
8P96.2Very high86.6Confident59 Ų5970.9 Ų70.938%0.38334%0.339SS..SBendcis-79.4165.33.634.4-37.9000113.9E10 L11 L116P8-E10 WeakPolarHBondContact CG-O 3.44Å; P8-E10 PolarHBondContact O-N 3.48Å; P8-L11 HydrophobicContact CG-CD2 4.07Å; P8-L116 WeakPolarHBondContact O-CD1 3.45Å
9D92.8Very high86Confident145 Ų14574.3 Ų74.378%0.77535%0.349SS*.SBendtrans-69.3-16.9175.9-67.8-29.6000114.1L116D9-L116 VanDerWaalsContact C-CD1 3.44Å; D9-L116 VanDerWaalsContact O-CD1 3.3Å; D9-L116 WeakPolarHBondContact O-CD1 3.44Å
10E94.4Very high85.7Confident62 Ų6271 Ų7129%0.2933%0.333SS..EExtended strand (participates in β ladder)trans-143.1141.8173.365.8175.4-158.300111.6P8 R117 R119 R127P8-E10 WeakPolarHBondContact CG-O 3.44Å; P8-E10 PolarHBondContact O-N 3.48Å; E10-R117 WeakPolarHBondContact CA-O 3.44Å; E10-R119 IonicContact OE1-NE 3.96Å; E10-R119 WeakPolarHBondContact OE2-CD 3.14Å; E10-R119 IonicContact OE2-CZ 2.78Å; E10-R119 IonicContact OE2-NE 2.73Å; E10-R119 PolarHBondContact OE2-NE 2.79Å; E10-R119 IonicContact OE2-NH2 2.89Å; E10-R119 PolarHBondContact OE2-NH2 3.06Å; E10-R127 IonicContact OE1-NH1 3.97Å; E10-R127 PolarHBondContact OE1-NH1 3.26Å; E10-R127 VanDerWaalsContact OE1-NH1 3.13Å
11L94.1Very high85.8Confident1 Ų167.7 Ų67.71%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-94.7139171.3-62.5-178.5000110.1P8 Q23 F25 V66 L82 L116 R117 I118 R119P8-L11 HydrophobicContact CG-CD2 4.07Å; L11-Q23 HydrophobicContact CD2-CB 4.25Å; L11-F25 HydrophobicContact CD1-CD1 4.19Å; L11-F25 HydrophobicContact CD2-CB 4.18Å; L11-V66 HydrophobicContact CD1-CB 4.17Å; L11-V66 HydrophobicContact CD1-CG1 4.34Å; L11-V66 HydrophobicContact CD1-CG2 3.93Å; L11-L82 HydrophobicContact CD1-CD1 3.95Å; L11-L116 HydrophobicContact CD1-CD2 3.84Å; L11-L116 HydrophobicContact CD1-CG 4.45Å; L11-L116 HydrophobicContact CD2-CD2 4.38Å; L11-L116 HydrophobicContact CG-CD1 4.43Å; L11-L116 HydrophobicContact CG-CD2 3.84Å; L11-L116 HydrophobicContact CG-CG 4.16Å; L11-R117 PolarHBondContact N-O 2.68Å; L11-I118 HydrophobicContact CB-CG1 4.35Å; L11-I118 HydrophobicContact CD1-CG1 4.41Å; L11-R119 PolarHBondContact O-N 2.97Å
12L92.1Very high87.2Confident26 Ų2659.4 Ų59.414%0.13628%0.278CS..EExtended strand (participates in β ladder)trans-121.3111.5-179.2-176.664.4000110.6L14 Q23 R119 R127L12-L14 HydrophobicContact CD1-CD2 4.04Å; L12-L14 HydrophobicContact CD2-CD1 4.02Å; L12-L14 HydrophobicContact CD2-CD2 3.7Å; L12-L14 HydrophobicContact CD2-CG 4.16Å; L12-L14 HydrophobicContact CG-CD1 4.16Å; L12-L14 HydrophobicContact CG-CD2 3.56Å; L12-L14 HydrophobicContact CG-CG 3.85Å; L12-Q23 PolarHBondContact O-NE2 3.13Å; L12-R119 WeakPolarHBondContact CA-O 3.31Å; L12-R119 HydrophobicContact CD1-CB 3.9Å; L12-R127 HydrophobicContact CD2-CG 4.13Å
13I89.9Confident87.7Confident1 Ų151.6 Ų51.61%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-98.2125.4177.4-68.6177.2000109.4R21 Q23 Y47 L68 I118 R119 F120 S121I13-R21 HydrophobicContact CG2-CG 4.21Å; I13-Q23 HydrophobicContact CG1-CG 3.82Å; I13-Y47 HydrophobicContact CD1-CE1 3.95Å; I13-L68 HydrophobicContact CD1-CB 3.78Å; I13-L68 HydrophobicContact CG2-CD2 4.12Å; I13-I118 HydrophobicContact CD1-CG2 3.83Å; I13-I118 HydrophobicContact CG1-CG2 4.27Å; I13-R119 PolarHBondContact N-O 2.73Å; I13-F120 HydrophobicContact CB-CD1 3.91Å; I13-F120 HydrophobicContact CB-CE1 4.21Å; I13-F120 HydrophobicContact CD1-CE1 4.19Å; I13-F120 HydrophobicContact CG2-CD1 4.04Å; I13-F120 HydrophobicContact CG2-CE1 4.3Å; I13-F120 WeakPolarHBondContact O-CA 3.19Å; I13-S121 PolarHBondContact O-N 2.86Å
14L80.5Confident87.8Confident7 Ų753 Ų534%0.03725%0.254CS..  trans-116.460-159.2-68170.8000113.8L12 Q20 S121 F128L12-L14 HydrophobicContact CD1-CD2 4.04Å; L12-L14 HydrophobicContact CD2-CD1 4.02Å; L12-L14 HydrophobicContact CD2-CD2 3.7Å; L12-L14 HydrophobicContact CD2-CG 4.16Å; L12-L14 HydrophobicContact CG-CD1 4.16Å; L12-L14 HydrophobicContact CG-CD2 3.56Å; L12-L14 HydrophobicContact CG-CG 3.85Å; L14-Q20 HydrophobicContact CB-CB 4.28Å; L14-Q20 PolarHBondContact N-O 2.94Å; L14-Q20 WeakPolarHBondContact O-CB 3.37Å; L14-Q20 VanDerWaalsContact O-CG 3.26Å; L14-Q20 WeakPolarHBondContact O-CG 3.33Å; L14-Q20 PolarHBondContact O-NE2 2.78Å; L14-Q20 PolarHBondContact O-OE1 3.2Å; L14-S121 CarbonylContact C-O 3.58Å; L14-S121 WeakPolarHBondContact CA-O 3.48Å; L14-F128 HydrophobicContact CB-CD2 3.64Å; L14-F128 HydrophobicContact CB-CE2 4.2Å; L14-F128 HydrophobicContact CD1-CB 4.18Å; L14-F128 HydrophobicContact CD1-CD2 3.5Å; L14-F128 VanDerWaalsContact CD1-CD2 3.5Å; L14-F128 HydrophobicContact CD1-CE2 4.39Å; L14-F128 HydrophobicContact CD1-CG 4.3Å; L14-F128 HydrophobicContact CD2-CB 4.21Å; L14-F128 HydrophobicContact CD2-CD2 4.46Å; L14-F128 HydrophobicContact CG-CD2 4.01Å
15G74.1Confident87.8Confident13 Ų1352.6 Ų52.613%0.13425%0.252CS..SBendtrans106.9-161.3177.400000113.4S121G15-S121 PolarHBondContact N-O 2.91Å
16K73.9Confident87.9Confident100 Ų10050.9 Ų50.944%0.43525%0.247SC..SBendtrans-97-18.6-166.9-65.6-170.7176.2-167.20113.7R21 Y71 D73 F76K16-R21 PolarHBondContact O-NE 3.43Å; K16-R21 VanDerWaalsContact O-NE 3.09Å; K16-Y71 HydrophobicContact CB-CE2 4.45Å; K16-Y71 WeakPolarHBondContact CB-OH 3.44Å; K16-Y71 HydrophobicContact CD-CE2 4.43Å; K16-Y71 HydrophobicContact CG-CE2 4.12Å; K16-Y71 PolarHBondContact O-OH 3.23Å; K16-D73 VanDerWaalsContact CE-OD1 3.29Å; K16-D73 WeakPolarHBondContact CE-OD1 3.37Å; K16-D73 IonicContact NZ-OD1 3.75Å; K16-D73 PolarHBondContact NZ-OD1 2.83Å; K16-D73 IonicContact NZ-OD2 3.81Å; K16-F76 HydrophobicContact CG-CE2 4.47Å; K16-F76 HydrophobicContact CG-CZ 4.36Å
17H73Confident88Confident80 Ų8050.6 Ų50.637%0.3725%0.245SC..SBendtrans-77.7148.3-175.6-58-65.4000112.5Y19 Q20 R21H17-Y19 HydrophobicContact CB-CD1 3.94Å; H17-Y19 HydrophobicContact CB-CE1 3.58Å; H17-Y19 PolarHBondContact O-N 3.16Å; H17-Q20 HydrophobicContact CB-CG 4.16Å; H17-Q20 PolarHBondContact CD2-OE1 2.7Å; H17-Q20 VanDerWaalsContact CD2-OE1 3.29Å; H17-Q20 WeakPolarHBondContact O-CA 3.32Å; H17-Q20 VanDerWaalsContact O-CB 3.29Å; H17-Q20 WeakPolarHBondContact O-CB 3.48Å; H17-Q20 PolarHBondContact O-N 3.12Å; H17-R21 WeakPolarHBondContact O-CG 3.21Å; H17-R21 PolarHBondContact O-N 3.4Å
18Y74.3Confident88.1Confident94 Ų9448.7 Ų48.737%0.36924%0.235SC..Hα-helixtrans-43-56.8-179.7-172.6-93.4000114.3Q20 R21 L22 L67 V205 D209Y18-Q20 PolarHBondContact O-N 3.32Å; Y18-Q20 VanDerWaalsContact O-N 3.08Å; Y18-R21 WeakPolarHBondContact O-CA 3.46Å; Y18-R21 WeakPolarHBondContact O-CB 3.37Å; Y18-R21 PolarHBondContact O-N 2.89Å; Y18-L22 HydrophobicContact CE1-CD2 4.26Å; Y18-L22 PolarHBondContact O-N 2.86Å; Y18-L67 HydrophobicContact CD2-CD1 4.27Å; Y18-L67 HydrophobicContact CE2-CD1 3.96Å; Y18-L67 HydrophobicContact CE2-CD2 3.7Å; Y18-V205 HydrophobicContact CD2-CG1 3.78Å; Y18-V205 HydrophobicContact CE2-CG1 3.74Å; Y18-D209 VanDerWaalsContact CB-OD2 3.31Å; Y18-D209 WeakPolarHBondContact CB-OD2 3.45Å; Y18-D209 WeakPolarHBondContact CD2-OD2 3.37Å
19Y76Confident88.1Confident134 Ų13445.9 Ų45.953%0.52522%0.217SC..Hα-helixtrans-64.3-18.4-176.169.9-91.7000113.3H17H17-Y19 HydrophobicContact CB-CD1 3.94Å; H17-Y19 HydrophobicContact CB-CE1 3.58Å; H17-Y19 PolarHBondContact O-N 3.16Å
20Q79.7Confident88.2Confident9 Ų942 Ų424%0.04220%0.196CC..Hα-helixtrans-87.3-21.9176.3-58.9175-30.900112.4L14 H17 Y18 F128L14-Q20 HydrophobicContact CB-CB 4.28Å; L14-Q20 PolarHBondContact N-O 2.94Å; L14-Q20 WeakPolarHBondContact O-CB 3.37Å; L14-Q20 VanDerWaalsContact O-CG 3.26Å; L14-Q20 WeakPolarHBondContact O-CG 3.33Å; L14-Q20 PolarHBondContact O-NE2 2.78Å; L14-Q20 PolarHBondContact O-OE1 3.2Å; H17-Q20 HydrophobicContact CB-CG 4.16Å; H17-Q20 PolarHBondContact CD2-OE1 2.7Å; H17-Q20 VanDerWaalsContact CD2-OE1 3.29Å; H17-Q20 WeakPolarHBondContact O-CA 3.32Å; H17-Q20 VanDerWaalsContact O-CB 3.29Å; H17-Q20 WeakPolarHBondContact O-CB 3.48Å; H17-Q20 PolarHBondContact O-N 3.12Å; Y18-Q20 PolarHBondContact O-N 3.32Å; Y18-Q20 VanDerWaalsContact O-N 3.08Å; Q20-F128 HydrophobicContact CG-CE2 4.44Å
21R89.3Confident88.2Confident2 Ų240.3 Ų40.31%0.00819%0.191CC..Hα-helixtrans-91.3-23.9-179.6-66.6-173.8-66.1140-9112.9I13 K16 H17 Y18 L67 L68 Y69 Y71 D209I13-R21 HydrophobicContact CG2-CG 4.21Å; K16-R21 PolarHBondContact O-NE 3.43Å; K16-R21 VanDerWaalsContact O-NE 3.09Å; H17-R21 WeakPolarHBondContact O-CG 3.21Å; H17-R21 PolarHBondContact O-N 3.4Å; Y18-R21 WeakPolarHBondContact O-CA 3.46Å; Y18-R21 WeakPolarHBondContact O-CB 3.37Å; Y18-R21 PolarHBondContact O-N 2.89Å; R21-L67 HydrophobicContact CB-CD1 4Å; R21-L68 HydrophobicContact CB-CB 4.13Å; R21-L68 WeakPolarHBondContact CD-O 3.34Å; R21-L68 HydrophobicContact CG-CB 4.39Å; R21-L68 HydrophobicContact CG-CD2 4.37Å; R21-L68 PolarHBondContact NH1-O 3.39Å; R21-L68 PolarHBondContact O-N 2.73Å; R21-Y69 PolarHBondContact NH1-O 2.78Å; R21-Y71 VanDerWaalsContact NH1-CE1 3.3Å; R21-D209 IonicContact CZ-OD1 3.13Å; R21-D209 IonicContact NH2-OD1 2.69Å; R21-D209 PolarHBondContact NH2-OD1 2.69Å; R21-D209 IonicContact NH2-OD2 2.75Å; R21-D209 PolarHBondContact NH2-OD2 3.33Å
22L91.1Very high88.2Confident65 Ų6546.4 Ų46.434%0.3422%0.224SC..EExtended strand (participates in β ladder)trans-79.9119.9174.2-175.563.5000110.7Y18 R65 L67Y18-L22 HydrophobicContact CE1-CD2 4.26Å; Y18-L22 PolarHBondContact O-N 2.86Å; L22-R65 HydrophobicContact CD1-CB 4.45Å; L22-L67 HydrophobicContact CB-CD1 4.13Å; L22-L67 HydrophobicContact CD1-CB 4.12Å; L22-L67 HydrophobicContact CD1-CD1 4.5Å
23Q93.7Very high88.2Confident44 Ų4450.9 Ų50.921%0.20624%0.244CC..EExtended strand (participates in β ladder)trans-127.4168.5175.4-67-60-43.500110L11 L12 I13 V66L11-Q23 HydrophobicContact CD2-CB 4.25Å; L12-Q23 PolarHBondContact O-NE2 3.13Å; I13-Q23 HydrophobicContact CG1-CG 3.82Å; Q23-V66 PolarHBondContact N-O 2.9Å; Q23-V66 PolarHBondContact O-N 2.87Å
24H94.7Very high88.4Confident72 Ų7254.3 Ų54.333%0.33326%0.257SS..EExtended strand (participates in β ladder)trans-144.9154.3173.259.2-90.3000111L63 I64H24-L63 HydrophobicContact CB-CD1 4.06Å; H24-L63 HydrophobicContact CB-CG 4.39Å; H24-I64 CarbonylContact C-O 3.6Å; H24-I64 WeakPolarHBondContact CA-O 3.4Å; H24-I64 WeakPolarHBondContact CB-O 3.39Å
25F97Very high89.1Confident0 Ų054 Ų540%026%0.255CS..EExtended strand (participates in β ladder)trans-136.8155.7166.866.1-85.7000109.8V6 E7 L11 L27 V39 I64 V66 L82 V84 L116V6-F25 HydrophobicContact CG1-CB 4.25Å; V6-F25 HydrophobicContact CG1-CD2 3.65Å; V6-F25 HydrophobicContact CG1-CE2 4.28Å; V6-F25 HydrophobicContact CG1-CG 4.19Å; V6-F25 HydrophobicContact CG2-CD2 4.4Å; V6-F25 HydrophobicContact CG2-CE2 4.41Å; E7-F25 CarbonylContact O-C 3.48Å; E7-F25 WeakPolarHBondContact O-CA 3.36Å; L11-F25 HydrophobicContact CD1-CD1 4.19Å; L11-F25 HydrophobicContact CD2-CB 4.18Å; F25-L27 HydrophobicContact CE2-CB 4.22Å; F25-V39 HydrophobicContact CZ-CG1 4.38Å; F25-V39 HydrophobicContact CZ-CG2 4.18Å; F25-I64 HydrophobicContact CD1-CB 4.2Å; F25-I64 HydrophobicContact CD1-CG2 4.3Å; F25-I64 HydrophobicContact CD2-CB 4.4Å; F25-I64 HydrophobicContact CD2-CD1 4.47Å; F25-I64 HydrophobicContact CE1-CB 3.76Å; F25-I64 HydrophobicContact CE1-CG2 3.51Å; F25-I64 HydrophobicContact CE2-CB 4.01Å; F25-I64 HydrophobicContact CE2-CD1 3.57Å; F25-I64 HydrophobicContact CE2-CG1 4.32Å; F25-I64 HydrophobicContact CE2-CG2 4.42Å; F25-I64 HydrophobicContact CZ-CB 3.67Å; F25-I64 HydrophobicContact CZ-CD1 3.63Å; F25-I64 HydrophobicContact CZ-CG1 4.24Å; F25-I64 HydrophobicContact CZ-CG2 3.59Å; F25-I64 PolarHBondContact N-O 3.22Å; F25-I64 PolarHBondContact O-N 2.97Å; F25-V66 HydrophobicContact CD1-CG2 3.95Å; F25-V66 HydrophobicContact CE1-CG2 3.71Å; F25-L82 HydrophobicContact CE1-CD1 3.84Å; F25-V84 HydrophobicContact CE2-CG2 4.12Å; F25-V84 HydrophobicContact CZ-CG2 4.13Å; F25-L116 HydrophobicContact CB-CD2 4.12Å; F25-L116 HydrophobicContact CD1-CD2 3.55Å; F25-L116 HydrophobicContact CD2-CD2 4.14Å; F25-L116 HydrophobicContact CE1-CD2 3.89Å; F25-L116 HydrophobicContact CE2-CD2 4.41Å; F25-L116 HydrophobicContact CG-CD2 3.68Å; F25-L116 HydrophobicContact CZ-CD2 4.29Å
26T97.7Very high90.1Very high42 Ų4253.4 Ų53.426%0.25825%0.249SC..EExtended strand (participates in β ladder)trans-99.3125173.5-55.80000108.6V6 E7 K28 V62V6-T26 WeakPolarHBondContact CA-O 3.18Å; E7-T26 PolarHBondContact N-O 3.3Å; E7-T26 PolarHBondContact O-N 2.73Å; T26-K28 HydrophobicContact CG2-CG 3.98Å; T26-V62 WeakPolarHBondContact CA-O 3.27Å
27L97.7Very high91.1Very high0 Ų049 Ų490%023%0.229CC..EExtended strand (participates in β ladder)trans-100123.5170.1173.362.4000108.6I4 E5 V6 F25 Y37 L56 G61 V62 I64 V84I4-L27 HydrophobicContact CB-CD1 3.97Å; I4-L27 HydrophobicContact CD1-CD1 4.34Å; I4-L27 HydrophobicContact CG2-CD1 4.29Å; E5-L27 WeakPolarHBondContact O-CA 3.05Å; V6-L27 HydrophobicContact CG2-CD1 3.73Å; F25-L27 HydrophobicContact CE2-CB 4.22Å; L27-Y37 HydrophobicContact CD2-CD1 4.18Å; L27-Y37 HydrophobicContact CD2-CD2 3.84Å; L27-Y37 HydrophobicContact CD2-CG 3.6Å; L27-L56 HydrophobicContact CB-CD1 4.48Å; L27-L56 HydrophobicContact CD2-CD1 3.82Å; L27-L56 HydrophobicContact CG-CD1 3.72Å; L27-G61 CarbonylContact O-C 3.49Å; L27-G61 WeakPolarHBondContact O-CA 3.25Å; L27-V62 HydrophobicContact CB-CG1 4Å; L27-V62 HydrophobicContact CD2-CG1 4.44Å; L27-V62 PolarHBondContact N-O 2.9Å; L27-V62 PolarHBondContact O-N 2.82Å; L27-I64 HydrophobicContact CB-CD1 3.88Å; L27-I64 HydrophobicContact CD2-CD1 4.04Å; L27-V84 HydrophobicContact CD1-CG1 3.86Å; L27-V84 HydrophobicContact CD2-CG1 3.84Å; L27-V84 HydrophobicContact CG-CG1 4.48Å
28K97.4Very high92.3Very high66 Ų6647.8 Ų47.829%0.28722%0.223SC..EExtended strand (participates in β ladder)trans-114.2139.2179.8-60.5177.7-167.71590111.1I4 E5 E7 T26I4-K28 WeakPolarHBondContact CA-O 3.4Å; E5-K28 HydrophobicContact CB-CB 4.42Å; E5-K28 PolarHBondContact N-O 3.44Å; E5-K28 PolarHBondContact O-N 2.94Å; E7-K28 IonicContact OE2-NZ 3.76Å; E7-K28 PolarHBondContact OE2-NZ 2.85Å; T26-K28 HydrophobicContact CG2-CG 3.98Å
29N96.6Very high93.4Very high1 Ų143.8 Ų43.81%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-90.2107.2170.8179.67.8000110.1S31 Q33 I35 L56 D57 K59 D60N29-S31 VanDerWaalsContact C-N 3.32Å; N29-S31 WeakPolarHBondContact OD1-CB 3.36Å; N29-S31 PolarHBondContact OD1-N 3.27Å; N29-S31 PolarHBondContact OD1-OG 3.25Å; N29-Q33 PolarHBondContact ND2-O 2.94Å; N29-I35 HydrophobicContact CB-CD1 3.75Å; N29-I35 HydrophobicContact CB-CG1 4.11Å; N29-L56 HydrophobicContact CB-CB 4.02Å; N29-L56 PolarHBondContact ND2-O 3.45Å; N29-D57 PolarHBondContact ND2-O 3.19Å; N29-K59 WeakPolarHBondContact O-CA 3.29Å; N29-K59 PolarHBondContact O-N 2.93Å; N29-K59 VanDerWaalsContact O-N 3.12Å; N29-D60 PolarHBondContact N-O 2.89Å
30L96Very high94.3Very high64 Ų6442.6 Ų42.634%0.33520%0.203SC..  trans-83.8-9.2178.7-61.2-174.7000113R2 V3 E5 K59R2-L30 HydrophobicContact CB-CD1 4.31Å; V3-L30 PolarHBondContact O-N 3.23Å; E5-L30 HydrophobicContact CB-CD1 3.83Å; E5-L30 HydrophobicContact CB-CD2 4.27Å; E5-L30 HydrophobicContact CB-CG 4Å; L30-K59 PolarHBondContact O-NZ 2.8Å
31S93.8Very high95.1Very high25 Ų2543.2 Ų43.218%0.17521%0.21CC..SBendtrans-79.6175.3-178.382.80000112.6N29 Q33 K59N29-S31 VanDerWaalsContact C-N 3.32Å; N29-S31 WeakPolarHBondContact OD1-CB 3.36Å; N29-S31 PolarHBondContact OD1-N 3.27Å; N29-S31 PolarHBondContact OD1-OG 3.25Å; S31-Q33 PolarHBondContact OG-N 2.75Å; S31-Q33 PolarHBondContact OG-O 2.82Å; S31-K59 WeakPolarHBondContact O-CE 3.45Å; S31-K59 PolarHBondContact O-NZ 3.33Å
32N93.5Very high95.4Very high130 Ų13046.6 Ų46.670%0.69523%0.23SC*.SBendtrans-99.512.2172.4-62.2-16.6000111.7K59N32-K59 WeakPolarHBondContact OD1-CE 3.3Å; N32-K59 PolarHBondContact OD1-NZ 3.03Å
33Q92.7Very high95.6Very high119 Ų11945.9 Ų45.956%0.55623%0.225SC*.SBendtrans-122.1153.6-179.1-67.8179-8.400109.4N29 S31N29-Q33 PolarHBondContact ND2-O 2.94Å; S31-Q33 PolarHBondContact OG-N 2.75Å; S31-Q33 PolarHBondContact OG-O 2.82Å
34R93.4Very high95.7Very high74 Ų7447.8 Ų47.828%0.27924%0.242SC..  trans-66.6140.2170.4-168.2175.2-158.9-154-7108.9L56 D57 V89 D93R34-L56 WeakPolarHBondContact CA-O 3.34Å; R34-D57 WeakPolarHBondContact CD-OD1 3.44Å; R34-D57 IonicContact CZ-OD1 2.72Å; R34-D57 IonicContact NE-OD1 3.45Å; R34-D57 PolarHBondContact NE-OD1 2.71Å; R34-D57 IonicContact NH2-OD1 3.29Å; R34-V89 HydrophobicContact CB-CB 4.38Å; R34-V89 HydrophobicContact CG-CB 4.4Å; R34-V89 PolarHBondContact O-N 3Å; R34-D93 IonicContact CZ-OD1 2.96Å; R34-D93 IonicContact NH1-OD1 3.34Å; R34-D93 PolarHBondContact NH1-OD1 3.37Å
35I94.8Very high95.6Very high0 Ų051 Ų510%026%0.261CS..EExtended strand (participates in β ladder)trans-124148.7177.667.7174.5000110.8V3 I4 N29 F55 L56 A86 L87V3-I35 HydrophobicContact CG1-CG2 4.14Å; I4-I35 HydrophobicContact CG2-CD1 3.39Å; N29-I35 HydrophobicContact CB-CD1 3.75Å; N29-I35 HydrophobicContact CB-CG1 4.11Å; I35-F55 CarbonylContact O-C 3.53Å; I35-F55 VanDerWaalsContact O-CA 3.31Å; I35-F55 WeakPolarHBondContact O-CA 3.41Å; I35-L56 HydrophobicContact CD1-CB 4.3Å; I35-L56 HydrophobicContact CD1-CD1 4.3Å; I35-L56 HydrophobicContact CG1-CB 3.76Å; I35-L56 PolarHBondContact N-O 3.33Å; I35-L56 PolarHBondContact O-N 3.08Å; I35-A86 HydrophobicContact CD1-CB 4.18Å; I35-L87 CarbonylContact C-O 3.49Å; I35-L87 WeakPolarHBondContact CA-O 3.43Å; I35-L87 WeakPolarHBondContact CB-O 3.44Å
36A95.5Very high95.5Very high0 Ų052.2 Ų52.20%027%0.267CS..EExtended strand (participates in β ladder)trans-93.2138163.300000107.7G54 F55 A86 L87 V89 F100 W101A36-G54 WeakPolarHBondContact CA-O 3.24Å; A36-F55 HydrophobicContact CB-CD1 3.78Å; A36-F55 HydrophobicContact CB-CE1 3.72Å; A36-A86 VanDerWaalsContact O-CA 3.27Å; A36-A86 WeakPolarHBondContact O-CA 3.19Å; A36-L87 PolarHBondContact N-O 3.16Å; A36-L87 PolarHBondContact O-N 3.19Å; A36-V89 HydrophobicContact CB-CG2 3.74Å; A36-F100 HydrophobicContact CB-CD1 3.54Å; A36-F100 HydrophobicContact CB-CE1 3.31Å; A36-F100 HydrophobicContact CB-CG 4.36Å; A36-F100 HydrophobicContact CB-CZ 3.94Å; A36-W101 HydrophobicContact CB-CZ2 4.02Å
37Y96.1Very high95.4Very high9 Ų951 Ų514%0.03526%0.258CS..EExtended strand (participates in β ladder)trans-120.7151.1173.871.5-91.7000112L27 V39 P51 V53 G54 L56 V62 I64 L85L27-Y37 HydrophobicContact CD2-CD1 4.18Å; L27-Y37 HydrophobicContact CD2-CD2 3.84Å; L27-Y37 HydrophobicContact CD2-CG 3.6Å; Y37-V39 HydrophobicContact CD2-CG2 4.43Å; Y37-P51 VanDerWaalsContact OH-CG 3.24Å; Y37-P51 WeakPolarHBondContact OH-CG 3.45Å; Y37-V53 WeakPolarHBondContact O-CA 3.49Å; Y37-V53 WeakPolarHBondContact O-CG1 3.3Å; Y37-G54 VanDerWaalsContact CD1-C 3.49Å; Y37-G54 WeakPolarHBondContact CD1-O 3.32Å; Y37-G54 VanDerWaalsContact CE1-CA 3.45Å; Y37-G54 PolarHBondContact N-O 2.87Å; Y37-G54 PolarHBondContact O-N 2.95Å; Y37-G54 VanDerWaalsContact O-N 3.16Å; Y37-L56 HydrophobicContact CD1-CD1 3.85Å; Y37-L56 HydrophobicContact CD1-CG 3.78Å; Y37-L56 HydrophobicContact CE1-CD1 4.3Å; Y37-L56 HydrophobicContact CE1-CG 3.92Å; Y37-V62 HydrophobicContact CE1-CG1 3.98Å; Y37-I64 HydrophobicContact CD2-CD1 4.35Å; Y37-I64 HydrophobicContact CE2-CD1 4.03Å; Y37-L85 CarbonylContact C-O 3.54Å; Y37-L85 WeakPolarHBondContact CA-O 3.48Å
38K96.7Very high95.3Very high53 Ų5353 Ų5323%0.2327%0.268CS..EExtended strand (participates in β ladder)trans-144128.4173.3178.6160-170.4165.10110.2R40 A52 V53 L85 W101K38-R40 HydrophobicContact CG-CG 4.36Å; K38-A52 CarbonylContact C-O 3.5Å; K38-A52 WeakPolarHBondContact CA-O 3.3Å; K38-V53 HydrophobicContact CD-CG2 4.28Å; K38-V53 HydrophobicContact CG-CG2 4.08Å; K38-L85 HydrophobicContact CB-CB 4.44Å; K38-L85 PolarHBondContact N-O 3.37Å; K38-L85 WeakPolarHBondContact O-CB 3.33Å; K38-L85 PolarHBondContact O-N 3.34Å; K38-W101 HydrophobicContact CB-CD2 4.07Å; K38-W101 VanDerWaalsContact CB-CE2 3.49Å; K38-W101 HydrophobicContact CB-CH2 4.04Å; K38-W101 HydrophobicContact CB-CZ2 3.51Å; K38-W101 HydrophobicContact CD-CD2 4.05Å; K38-W101 HydrophobicContact CD-CG 4.02Å
39V97.4Very high95.2Very high11 Ų1150.9 Ų50.97%0.06726%0.261CS..EExtended strand (participates in β ladder)trans-103.1129.5178.1-1710000109.2F25 Y37 V49 A52 I64 L82 E83 V84F25-V39 HydrophobicContact CZ-CG1 4.38Å; F25-V39 HydrophobicContact CZ-CG2 4.18Å; Y37-V39 HydrophobicContact CD2-CG2 4.43Å; V39-V49 HydrophobicContact CB-CG1 4.05Å; V39-V49 HydrophobicContact CG1-CG1 3.94Å; V39-A52 PolarHBondContact N-O 3.49Å; V39-I64 HydrophobicContact CG2-CD1 3.95Å; V39-L82 HydrophobicContact CG1-CB 4.11Å; V39-L82 HydrophobicContact CG1-CD1 4.31Å; V39-E83 CarbonylContact C-O 3.54Å; V39-E83 WeakPolarHBondContact CA-O 3.41Å; V39-V84 HydrophobicContact CG1-CG2 4.5Å; V39-V84 HydrophobicContact CG2-CG2 4.45Å
40R96.1Very high95.2Very high109 Ų10954.9 Ų54.941%0.41128%0.279SS..EExtended strand (participates in β ladder)trans-124138.8175.6-60.9-177.4-175-174.70.3109.4K38 L82 E83K38-R40 HydrophobicContact CG-CG 4.36Å; R40-L82 CarbonylContact O-C 3.49Å; R40-L82 WeakPolarHBondContact O-CA 3.45Å; R40-E83 HydrophobicContact CB-CB 4.49Å; R40-E83 PolarHBondContact N-O 3.16Å; R40-E83 PolarHBondContact O-N 2.78Å
41A96.6Very high95.2Very high22 Ų2254.2 Ų54.218%0.18228%0.278CS..EExtended strand (participates in β ladder)trans-97.5148.517300000110.5H43 Y47 L82A41-H43 PolarHBondContact O-N 3.01Å; A41-Y47 HydrophobicContact CB-CD2 3.9Å; A41-Y47 HydrophobicContact CB-CG 4.49Å; A41-L82 HydrophobicContact CB-CD2 3.6Å
42T95.9Very high95.3Very high72 Ų7254.7 Ų54.744%0.44228%0.283SS..SBendtrans-64.6-26.817053.70000112.5Y81T42-Y81 HydrophobicContact CG2-CD2 4.15Å; T42-Y81 PolarHBondContact N-O 2.83Å; T42-Y81 PolarHBondContact OG1-N 3.24Å; T42-Y81 VanDerWaalsContact OG1-N 3.16Å; T42-Y81 PolarHBondContact OG1-O 2.81Å
43H95.3Very high95.4Very high51 Ų5150.2 Ų50.224%0.23626%0.261CS..SBendtrans-125.573.7178.3-55.1107000109.2A41 N45 N46 Y47 E78 H80A41-H43 PolarHBondContact O-N 3.01Å; H43-N45 PolarHBondContact O-N 2.91Å; H43-N46 HydrophobicContact CB-CB 4.17Å; H43-N46 WeakPolarHBondContact O-CB 3.21Å; H43-N46 PolarHBondContact O-N 3Å; H43-Y47 HydrophobicContact CB-CE2 4.35Å; H43-Y47 VanDerWaalsContact O-CD2 3.3Å; H43-Y47 WeakPolarHBondContact O-CD2 3.17Å; H43-E78 IonicContact CD2-OE2 3.48Å; H43-E78 IonicContact CE1-OE2 3.45Å; H43-E78 IonicContact NE2-OE2 3.76Å; H43-H80 AromaticContact CE1-CD2 3.43Å; H43-H80 PolarHBondContact CE1-CD2 3.24Å; H43-H80 VanDerWaalsContact CE1-CD2 3.43Å; H43-H80 AromaticContact CE1-CE1 3.83Å; H43-H80 AromaticContact CE1-CG 3.84Å; H43-H80 AromaticContact CE1-NE2 3.42Å; H43-H80 PolarHBondContact CE1-NE2 2.91Å; H43-H80 AromaticContact CG-CE1 3.56Å; H43-H80 AromaticContact CG-ND1 3.88Å; H43-H80 AromaticContact CG-NE2 3.88Å; H43-H80 AromaticContact ND1-CD2 3.25Å; H43-H80 PolarHBondContact ND1-CD2 2.97Å; H43-H80 VanDerWaalsContact ND1-CD2 3.25Å; H43-H80 AromaticContact ND1-CE1 3.07Å; H43-H80 PolarHBondContact ND1-CE1 3.17Å; H43-H80 AromaticContact ND1-CG 3.25Å; H43-H80 AromaticContact ND1-ND1 3.15Å; H43-H80 PolarHBondContact ND1-ND1 2.92Å; H43-H80 VanDerWaalsContact ND1-ND1 3.15Å; H43-H80 AromaticContact ND1-NE2 3.13Å; H43-H80 PolarHBondContact ND1-NE2 3.34Å; H43-H80 VanDerWaalsContact ND1-NE2 3.13Å
44P94.3Very high95.6Very high84 Ų8445 Ų4555%0.54524%0.239SC..G310 helixtrans-59.7-33.6-170.423.7-33.8000113.1N46 Y47P44-N46 PolarHBondContact O-N 2.81Å; P44-Y47 PolarHBondContact O-N 2.92Å
45N93.9Very high95.6Very high139 Ų13944.2 Ų44.274%0.74324%0.238SC*.G310 helixtrans-66.1-19.3178.6-60.9-15.1000113.2H43H43-N45 PolarHBondContact O-N 2.91Å
46N94.3Very high95.6Very high25 Ų2544.3 Ų44.313%0.13424%0.238CC..G310 helixtrans-92.7-18.6-176-60.235.7000111.8H43 P44 L68 Y69 A70 V75H43-N46 HydrophobicContact CB-CB 4.17Å; H43-N46 WeakPolarHBondContact O-CB 3.21Å; H43-N46 PolarHBondContact O-N 3Å; P44-N46 PolarHBondContact O-N 2.81Å; N46-L68 HydrophobicContact CB-CD1 3.92Å; N46-L68 CarbonylContact O-C 3.59Å; N46-L68 WeakPolarHBondContact O-CA 3.34Å; N46-Y69 PolarHBondContact O-N 3.42Å; N46-A70 WeakPolarHBondContact CA-O 3.37Å; N46-A70 VanDerWaalsContact CB-O 3.3Å; N46-A70 WeakPolarHBondContact CB-O 3.49Å; N46-A70 PolarHBondContact O-N 3.45Å; N46-V75 WeakPolarHBondContact ND2-CG2 3.43Å
47Y95.4Very high95.6Very high16 Ų1648 Ų486%0.06326%0.258CS..EExtended strand (participates in β ladder)trans-124.4137.4-169.7-64.5-76.9000113.3I13 A41 H43 P44 V66 L67 L68 H80 I118 F120I13-Y47 HydrophobicContact CD1-CE1 3.95Å; A41-Y47 HydrophobicContact CB-CD2 3.9Å; A41-Y47 HydrophobicContact CB-CG 4.49Å; H43-Y47 HydrophobicContact CB-CE2 4.35Å; H43-Y47 VanDerWaalsContact O-CD2 3.3Å; H43-Y47 WeakPolarHBondContact O-CD2 3.17Å; P44-Y47 PolarHBondContact O-N 2.92Å; Y47-V66 HydrophobicContact CD1-CG1 3.9Å; Y47-V66 HydrophobicContact CE1-CG1 4.47Å; Y47-L67 CarbonylContact C-O 3.57Å; Y47-L67 VanDerWaalsContact CA-O 3.29Å; Y47-L67 WeakPolarHBondContact CA-O 3.42Å; Y47-L68 HydrophobicContact CD1-CB 4.16Å; Y47-L68 HydrophobicContact CD1-CD1 4.19Å; Y47-L68 HydrophobicContact CE1-CB 3.84Å; Y47-L68 HydrophobicContact CE1-CD1 3.66Å; Y47-L68 HydrophobicContact CE1-CG 4.38Å; Y47-H80 HydrophobicContact CE2-CB 4.37Å; Y47-H80 AromaticContact CE2-ND1 3.19Å; Y47-H80 WeakPolarHBondContact CE2-ND1 3.33Å; Y47-H80 AromaticContact CZ-ND1 3.36Å; Y47-H80 WeakPolarHBondContact OH-CB 3.28Å; Y47-H80 PolarHBondContact OH-ND1 3.43Å; Y47-I118 HydrophobicContact CD1-CD1 4.35Å; Y47-I118 HydrophobicContact CE1-CD1 3.65Å; Y47-I118 HydrophobicContact CE2-CD1 3.98Å; Y47-I118 VanDerWaalsContact CZ-CD1 3.44Å; Y47-I118 WeakPolarHBondContact OH-CD1 3.3Å; Y47-F120 VanDerWaalsContact OH-CZ 3.3Å; Y47-F120 WeakPolarHBondContact OH-CZ 3.19Å
48I94.8Very high95.5Very high42 Ų4250.4 Ų50.422%0.21528%0.275CS..EExtended strand (participates in β ladder)trans-101.4125.7162.3-61173.2000107.3K50 V66 L67 Y69I48-K50 HydrophobicContact CG2-CD 4.31Å; I48-K50 HydrophobicContact CG2-CG 4.09Å; I48-V66 WeakPolarHBondContact O-CA 3.43Å; I48-L67 HydrophobicContact CB-CB 4.38Å; I48-L67 HydrophobicContact CD1-CD2 4.49Å; I48-L67 PolarHBondContact N-O 3.05Å; I48-L67 PolarHBondContact O-N 3.42Å; I48-Y69 HydrophobicContact CD1-CD1 4.17Å; I48-Y69 HydrophobicContact CD1-CD2 4.44Å; I48-Y69 HydrophobicContact CD1-CG 3.91Å; I48-Y69 HydrophobicContact CG1-CG 4.45Å
49V96.2Very high95.4Very high23 Ų2354.3 Ų54.314%0.13929%0.292CS..EExtended strand (participates in β ladder)trans-120.2122.5178-176.80000108.9V39 A52 I64 R65 V66 L82V39-V49 HydrophobicContact CB-CG1 4.05Å; V39-V49 HydrophobicContact CG1-CG1 3.94Å; V49-A52 HydrophobicContact CB-CB 4.33Å; V49-A52 HydrophobicContact CG1-CB 4.34Å; V49-I64 HydrophobicContact CG1-CG2 3.53Å; V49-R65 CarbonylContact C-O 3.57Å; V49-R65 WeakPolarHBondContact CA-O 3.41Å; V49-V66 HydrophobicContact CG2-CG1 4.46Å; V49-V66 HydrophobicContact CG2-CG2 4.48Å; V49-L82 HydrophobicContact CG2-CD2 4.39Å
50K96.3Very high95.3Very high84 Ų8457.9 Ų57.937%0.36531%0.31SS..EExtended strand (participates in β ladder)trans-138124.7-178-70.5-172.7178.8-179.50111.3I48 R65 E202I48-K50 HydrophobicContact CG2-CD 4.31Å; I48-K50 HydrophobicContact CG2-CG 4.09Å; K50-R65 PolarHBondContact N-O 3.49Å; K50-R65 PolarHBondContact O-N 3.33Å; K50-E202 IonicContact NZ-OE1 3.85Å; K50-E202 PolarHBondContact NZ-OE1 3Å
51P96.9Very high95.3Very high51 Ų5154.2 Ų54.233%0.33131%0.307SS..THydrogen-bonded Turncis-71.7135.9-15.130-34.3000111.8Y37 V62 I64Y37-P51 VanDerWaalsContact OH-CG 3.24Å; Y37-P51 WeakPolarHBondContact OH-CG 3.45Å; P51-V62 HydrophobicContact CG-CG2 3.9Å; P51-I64 HydrophobicContact CG-CG1 4.39Å
52A96.1Very high95.4Very high34 Ų3454.6 Ų54.628%0.28131%0.307SS..  trans-83.2-27.2177.300000113.4K38 V39 V49K38-A52 CarbonylContact C-O 3.5Å; K38-A52 WeakPolarHBondContact CA-O 3.3Å; V39-A52 PolarHBondContact N-O 3.49Å; V49-A52 HydrophobicContact CB-CB 4.33Å; V49-A52 HydrophobicContact CG1-CB 4.34Å
53V95.8Very high95.4Very high36 Ų3655 Ų5522%0.21831%0.306CS..EExtended strand (participates in β ladder)trans-136.5145.1-178.3-167.40000108.2Y37 K38Y37-V53 WeakPolarHBondContact O-CA 3.49Å; Y37-V53 WeakPolarHBondContact O-CG1 3.3Å; K38-V53 HydrophobicContact CD-CG2 4.28Å; K38-V53 HydrophobicContact CG-CG2 4.08Å
54G95Very high95.5Very high10 Ų1052.6 Ų52.610%0.10329%0.294CS..EExtended strand (participates in β ladder)trans178.5-166.9173.700000113A36 Y37A36-G54 WeakPolarHBondContact CA-O 3.24Å; Y37-G54 VanDerWaalsContact CD1-C 3.49Å; Y37-G54 WeakPolarHBondContact CD1-O 3.32Å; Y37-G54 VanDerWaalsContact CE1-CA 3.45Å; Y37-G54 PolarHBondContact N-O 2.87Å; Y37-G54 PolarHBondContact O-N 2.95Å; Y37-G54 VanDerWaalsContact O-N 3.16Å
55F94.3Very high95.6Very high57 Ų5754.2 Ų54.225%0.2529%0.29CS..EExtended strand (participates in β ladder)trans-120148176.3-58.5-71000110.2I35 A36 V89 P94I35-F55 CarbonylContact O-C 3.53Å; I35-F55 VanDerWaalsContact O-CA 3.31Å; I35-F55 WeakPolarHBondContact O-CA 3.41Å; A36-F55 HydrophobicContact CB-CD1 3.78Å; A36-F55 HydrophobicContact CB-CE1 3.72Å; F55-V89 HydrophobicContact CD1-CG2 3.71Å; F55-V89 HydrophobicContact CE1-CG2 3.83Å; F55-P94 HydrophobicContact CE1-CG 3.55Å; F55-P94 HydrophobicContact CE2-CG 4.26Å; F55-P94 HydrophobicContact CZ-CB 4.36Å; F55-P94 HydrophobicContact CZ-CG 3.32Å
56L94.8Very high95.7Very high3 Ų347.6 Ų47.62%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-129.2123.7175.4-79.5170.4000109.4L27 N29 R34 I35 Y37 V62L27-L56 HydrophobicContact CB-CD1 4.48Å; L27-L56 HydrophobicContact CD2-CD1 3.82Å; L27-L56 HydrophobicContact CG-CD1 3.72Å; N29-L56 HydrophobicContact CB-CB 4.02Å; N29-L56 PolarHBondContact ND2-O 3.45Å; R34-L56 WeakPolarHBondContact CA-O 3.34Å; I35-L56 HydrophobicContact CD1-CB 4.3Å; I35-L56 HydrophobicContact CD1-CD1 4.3Å; I35-L56 HydrophobicContact CG1-CB 3.76Å; I35-L56 PolarHBondContact N-O 3.33Å; I35-L56 PolarHBondContact O-N 3.08Å; Y37-L56 HydrophobicContact CD1-CD1 3.85Å; Y37-L56 HydrophobicContact CD1-CG 3.78Å; Y37-L56 HydrophobicContact CE1-CD1 4.3Å; Y37-L56 HydrophobicContact CE1-CG 3.92Å; L56-V62 HydrophobicContact CD1-CG1 3.98Å; L56-V62 HydrophobicContact CD2-CB 3.8Å; L56-V62 HydrophobicContact CD2-CG1 3.79Å; L56-V62 HydrophobicContact CG-CG1 4.14Å
57D94.5Very high95.7Very high77 Ų7747 Ų4741%0.41225%0.251SS..  trans-70.3162.6174.4-68.7-22.1000110.7N29 R34 K59 D60N29-D57 PolarHBondContact ND2-O 3.19Å; R34-D57 WeakPolarHBondContact CD-OD1 3.44Å; R34-D57 IonicContact CZ-OD1 2.72Å; R34-D57 IonicContact NE-OD1 3.45Å; R34-D57 PolarHBondContact NE-OD1 2.71Å; R34-D57 IonicContact NH2-OD1 3.29Å; D57-K59 PolarHBondContact O-N 2.88Å; D57-D60 HydrophobicContact CB-CB 4.27Å; D57-D60 WeakPolarHBondContact O-CB 3.48Å; D57-D60 PolarHBondContact O-N 3.24Å; D57-D60 VanDerWaalsContact O-N 3.16Å
58P95Very high95.6Very high60 Ų6046.3 Ų46.339%0.3925%0.248SC..THydrogen-bonded Turntrans-52.8131.7176.9-25.933.7000111.9D60P58-D60 PolarHBondContact O-N 3.16Å; P58-D60 VanDerWaalsContact O-N 3.13Å
59K94.6Very high95.2Very high135 Ų13547 Ų4759%0.58725%0.249SC*.THydrogen-bonded Turntrans64.27.2179-45.7-56.9176.9-175.50115.6N29 L30 S31 N32 D57N29-K59 WeakPolarHBondContact O-CA 3.29Å; N29-K59 PolarHBondContact O-N 2.93Å; N29-K59 VanDerWaalsContact O-N 3.12Å; L30-K59 PolarHBondContact O-NZ 2.8Å; S31-K59 WeakPolarHBondContact O-CE 3.45Å; S31-K59 PolarHBondContact O-NZ 3.33Å; N32-K59 WeakPolarHBondContact OD1-CE 3.3Å; N32-K59 PolarHBondContact OD1-NZ 3.03Å; D57-K59 PolarHBondContact O-N 2.88Å
60D95.8Very high94.9Very high85 Ų8547.9 Ų47.946%0.45526%0.259SS..  trans-88.3166.8177.3-1589.9000112N29 D57 P58N29-D60 PolarHBondContact N-O 2.89Å; D57-D60 HydrophobicContact CB-CB 4.27Å; D57-D60 WeakPolarHBondContact O-CB 3.48Å; D57-D60 PolarHBondContact O-N 3.24Å; D57-D60 VanDerWaalsContact O-N 3.16Å; P58-D60 PolarHBondContact O-N 3.16Å; P58-D60 VanDerWaalsContact O-N 3.13Å
61G96.4Very high94.5Very high32 Ų3246.4 Ų46.433%0.3325%0.251SS..EExtended strand (participates in β ladder)trans-141.6151.5176.100000113.5L27L27-G61 CarbonylContact O-C 3.49Å; L27-G61 WeakPolarHBondContact O-CA 3.25Å
62V97.2Very high94.1Very high30 Ų3047.6 Ų47.618%0.18226%0.257CS..EExtended strand (participates in β ladder)trans-124.9137.5178.963.40000110.7T26 L27 Y37 P51 L56 I64T26-V62 WeakPolarHBondContact CA-O 3.27Å; L27-V62 HydrophobicContact CB-CG1 4Å; L27-V62 HydrophobicContact CD2-CG1 4.44Å; L27-V62 PolarHBondContact N-O 2.9Å; L27-V62 PolarHBondContact O-N 2.82Å; Y37-V62 HydrophobicContact CE1-CG1 3.98Å; P51-V62 HydrophobicContact CG-CG2 3.9Å; L56-V62 HydrophobicContact CD1-CG1 3.98Å; L56-V62 HydrophobicContact CD2-CB 3.8Å; L56-V62 HydrophobicContact CD2-CG1 3.79Å; L56-V62 HydrophobicContact CG-CG1 4.14Å; V62-I64 HydrophobicContact CG1-CD1 4.04Å; V62-I64 HydrophobicContact CG1-CG1 4.07Å
63L97.5Very high93.5Very high81 Ų8150.9 Ų50.942%0.42427%0.27SS..EExtended strand (participates in β ladder)trans-84.6116.7172.2-172.676.1000109.7H24H24-L63 HydrophobicContact CB-CD1 4.06Å; H24-L63 HydrophobicContact CB-CG 4.39Å
64I97.2Very high93.1Very high0 Ų055.9 Ų55.90%029%0.291CS..EExtended strand (participates in β ladder)trans-107122.9179-63165.4000108.9H24 F25 L27 Y37 V39 V49 P51 V62H24-I64 CarbonylContact C-O 3.6Å; H24-I64 WeakPolarHBondContact CA-O 3.4Å; H24-I64 WeakPolarHBondContact CB-O 3.39Å; F25-I64 HydrophobicContact CD1-CB 4.2Å; F25-I64 HydrophobicContact CD1-CG2 4.3Å; F25-I64 HydrophobicContact CD2-CB 4.4Å; F25-I64 HydrophobicContact CD2-CD1 4.47Å; F25-I64 HydrophobicContact CE1-CB 3.76Å; F25-I64 HydrophobicContact CE1-CG2 3.51Å; F25-I64 HydrophobicContact CE2-CB 4.01Å; F25-I64 HydrophobicContact CE2-CD1 3.57Å; F25-I64 HydrophobicContact CE2-CG1 4.32Å; F25-I64 HydrophobicContact CE2-CG2 4.42Å; F25-I64 HydrophobicContact CZ-CB 3.67Å; F25-I64 HydrophobicContact CZ-CD1 3.63Å; F25-I64 HydrophobicContact CZ-CG1 4.24Å; F25-I64 HydrophobicContact CZ-CG2 3.59Å; F25-I64 PolarHBondContact N-O 3.22Å; F25-I64 PolarHBondContact O-N 2.97Å; L27-I64 HydrophobicContact CB-CD1 3.88Å; L27-I64 HydrophobicContact CD2-CD1 4.04Å; Y37-I64 HydrophobicContact CD2-CD1 4.35Å; Y37-I64 HydrophobicContact CE2-CD1 4.03Å; V39-I64 HydrophobicContact CG2-CD1 3.95Å; V49-I64 HydrophobicContact CG1-CG2 3.53Å; P51-I64 HydrophobicContact CG-CG1 4.39Å; V62-I64 HydrophobicContact CG1-CD1 4.04Å; V62-I64 HydrophobicContact CG1-CG1 4.07Å
65R95.7Very high92.9Very high119 Ų11955.8 Ų55.845%0.44929%0.289SS..EExtended strand (participates in β ladder)trans-92139.9176.7-61.9177.4-176.6164.61.5109.9L22 V49 K50L22-R65 HydrophobicContact CD1-CB 4.45Å; V49-R65 CarbonylContact C-O 3.57Å; V49-R65 WeakPolarHBondContact CA-O 3.41Å; K50-R65 PolarHBondContact N-O 3.49Å; K50-R65 PolarHBondContact O-N 3.33Å
66V95.3Very high92.5Very high0 Ų055 Ų550%029%0.285CS..EExtended strand (participates in β ladder)trans-131.5119.8-178.9-177.30000107.8L11 Q23 F25 Y47 I48 V49 L82L11-V66 HydrophobicContact CD1-CB 4.17Å; L11-V66 HydrophobicContact CD1-CG1 4.34Å; L11-V66 HydrophobicContact CD1-CG2 3.93Å; Q23-V66 PolarHBondContact N-O 2.9Å; Q23-V66 PolarHBondContact O-N 2.87Å; F25-V66 HydrophobicContact CD1-CG2 3.95Å; F25-V66 HydrophobicContact CE1-CG2 3.71Å; Y47-V66 HydrophobicContact CD1-CG1 3.9Å; Y47-V66 HydrophobicContact CE1-CG1 4.47Å; I48-V66 WeakPolarHBondContact O-CA 3.43Å; V49-V66 HydrophobicContact CG2-CG1 4.46Å; V49-V66 HydrophobicContact CG2-CG2 4.48Å; V66-L82 HydrophobicContact CB-CD1 4.41Å; V66-L82 HydrophobicContact CG1-CD1 4.01Å; V66-L82 HydrophobicContact CG2-CD1 3.52Å
67L93.9Very high92.1Very high13 Ų1362.7 Ų62.77%0.06832%0.323CS..EExtended strand (participates in β ladder)trans-116.9122.5176.6175.264.6000109Y18 R21 L22 Y47 I48 Y69Y18-L67 HydrophobicContact CD2-CD1 4.27Å; Y18-L67 HydrophobicContact CE2-CD1 3.96Å; Y18-L67 HydrophobicContact CE2-CD2 3.7Å; R21-L67 HydrophobicContact CB-CD1 4Å; L22-L67 HydrophobicContact CB-CD1 4.13Å; L22-L67 HydrophobicContact CD1-CB 4.12Å; L22-L67 HydrophobicContact CD1-CD1 4.5Å; Y47-L67 CarbonylContact C-O 3.57Å; Y47-L67 VanDerWaalsContact CA-O 3.29Å; Y47-L67 WeakPolarHBondContact CA-O 3.42Å; I48-L67 HydrophobicContact CB-CB 4.38Å; I48-L67 HydrophobicContact CD1-CD2 4.49Å; I48-L67 PolarHBondContact N-O 3.05Å; I48-L67 PolarHBondContact O-N 3.42Å; L67-Y69 PolarHBondContact O-N 3.34Å
68L93.6Very high91.9Very high0 Ų063 Ų630%032%0.322CS..EExtended strand (participates in β ladder)trans-72.1105.9162.7176.374.6000108I13 R21 N46 Y47 Y71 V75 F76 F120I13-L68 HydrophobicContact CD1-CB 3.78Å; I13-L68 HydrophobicContact CG2-CD2 4.12Å; R21-L68 HydrophobicContact CB-CB 4.13Å; R21-L68 WeakPolarHBondContact CD-O 3.34Å; R21-L68 HydrophobicContact CG-CB 4.39Å; R21-L68 HydrophobicContact CG-CD2 4.37Å; R21-L68 PolarHBondContact NH1-O 3.39Å; R21-L68 PolarHBondContact O-N 2.73Å; N46-L68 HydrophobicContact CB-CD1 3.92Å; N46-L68 CarbonylContact O-C 3.59Å; N46-L68 WeakPolarHBondContact O-CA 3.34Å; Y47-L68 HydrophobicContact CD1-CB 4.16Å; Y47-L68 HydrophobicContact CD1-CD1 4.19Å; Y47-L68 HydrophobicContact CE1-CB 3.84Å; Y47-L68 HydrophobicContact CE1-CD1 3.66Å; Y47-L68 HydrophobicContact CE1-CG 4.38Å; L68-Y71 HydrophobicContact CD2-CD1 4.29Å; L68-Y71 HydrophobicContact CD2-CG 4.21Å; L68-Y71 HydrophobicContact CG-CD1 4.31Å; L68-V75 HydrophobicContact CD1-CG1 4.13Å; L68-F76 HydrophobicContact CD2-CE1 4.04Å; L68-F76 HydrophobicContact CD2-CZ 4.23Å; L68-F120 HydrophobicContact CD2-CE1 4.07Å
69Y87.8Confident91.8Very high57 Ų5767.5 Ų67.522%0.22434%0.336CS..  trans-95.1-59.4-173.9171-123.1000112.5R21 N46 I48 L67 C204 V205R21-Y69 PolarHBondContact NH1-O 2.78Å; N46-Y69 PolarHBondContact O-N 3.42Å; I48-Y69 HydrophobicContact CD1-CD1 4.17Å; I48-Y69 HydrophobicContact CD1-CD2 4.44Å; I48-Y69 HydrophobicContact CD1-CG 3.91Å; I48-Y69 HydrophobicContact CG1-CG 4.45Å; L67-Y69 PolarHBondContact O-N 3.34Å; Y69-C204 WeakPolarHBondContact OH-CB 3.26Å; Y69-V205 HydrophobicContact CD2-CB 4.14Å; Y69-V205 HydrophobicContact CD2-CG1 3.86Å; Y69-V205 HydrophobicContact CD2-CG2 3.49Å; Y69-V205 VanDerWaalsContact CD2-CG2 3.49Å; Y69-V205 HydrophobicContact CE2-CB 3.77Å; Y69-V205 HydrophobicContact CE2-CG1 3.95Å; Y69-V205 HydrophobicContact CE2-CG2 3.16Å
70A88.6Confident91.9Very high42 Ų4261.1 Ų61.135%0.34731%0.308SS..SBendtrans-102.7128.8178.900000110.3N46N46-A70 WeakPolarHBondContact CA-O 3.37Å; N46-A70 VanDerWaalsContact CB-O 3.3Å; N46-A70 WeakPolarHBondContact CB-O 3.49Å; N46-A70 PolarHBondContact O-N 3.45Å
71Y88.7Confident92Very high52 Ų5260.3 Ų60.320%0.20430%0.299CS..  trans-155.5150.1-178.465.1-84.9000112.5K16 R21 L68 F76K16-Y71 HydrophobicContact CB-CE2 4.45Å; K16-Y71 WeakPolarHBondContact CB-OH 3.44Å; K16-Y71 HydrophobicContact CD-CE2 4.43Å; K16-Y71 HydrophobicContact CG-CE2 4.12Å; K16-Y71 PolarHBondContact O-OH 3.23Å; R21-Y71 VanDerWaalsContact NH1-CE1 3.3Å; L68-Y71 HydrophobicContact CD2-CD1 4.29Å; L68-Y71 HydrophobicContact CD2-CG 4.21Å; L68-Y71 HydrophobicContact CG-CD1 4.31Å; Y71-F76 HydrophobicContact CD2-CD2 4.48Å; Y71-F76 AromaticContact CD2-CE2 3.36Å; Y71-F76 HydrophobicContact CD2-CE2 3.36Å; Y71-F76 AromaticContact CD2-CZ 3.6Å; Y71-F76 HydrophobicContact CD2-CZ 3.6Å; Y71-F76 AromaticContact CE2-CE2 3.74Å; Y71-F76 HydrophobicContact CE2-CE2 3.74Å; Y71-F76 AromaticContact CE2-CZ 3.83Å; Y71-F76 HydrophobicContact CE2-CZ 3.83Å; Y71-F76 HydrophobicContact CG-CE2 4.28Å; Y71-F76 HydrophobicContact CG-CZ 4.23Å
72T87.4Confident92Very high76 Ų7658.8 Ų58.847%0.46628%0.283SS..  trans-111.8176.7165.363.20000108.9E74 V75 F76T72-E74 PolarHBondContact O-N 2.91Å; T72-E74 PolarHBondContact OG1-N 3.39Å; T72-V75 WeakPolarHBondContact O-CB 3.4Å; T72-V75 PolarHBondContact O-N 3.28Å; T72-F76 WeakPolarHBondContact O-CD2 3.49Å
73D84.7Confident92Very high103 Ų10360.7 Ų60.755%0.55129%0.29SS*.THydrogen-bonded Turntrans-65.3-24.3173.3-75.1-32.7000112.4K16 F76K16-D73 VanDerWaalsContact CE-OD1 3.29Å; K16-D73 WeakPolarHBondContact CE-OD1 3.37Å; K16-D73 IonicContact NZ-OD1 3.75Å; K16-D73 PolarHBondContact NZ-OD1 2.83Å; K16-D73 IonicContact NZ-OD2 3.81Å; D73-F76 PolarHBondContact O-N 3.07Å
74E87.7Confident92Very high142 Ų14256.8 Ų56.866%0.66427%0.27SS*.THydrogen-bonded Turntrans-68.7-36.5177.7-59.2174.816900112.2T72 F76 M77 E78T72-E74 PolarHBondContact O-N 2.91Å; T72-E74 PolarHBondContact OG1-N 3.39Å; E74-F76 PolarHBondContact O-N 2.94Å; E74-F76 VanDerWaalsContact O-N 3.11Å; E74-M77 WeakPolarHBondContact O-CA 3.42Å; E74-M77 WeakPolarHBondContact O-CB 2.92Å; E74-M77 PolarHBondContact O-N 2.82Å; E74-E78 PolarHBondContact O-N 3.46Å
75V89.6Confident92Very high8 Ų857.2 Ų57.25%0.04827%0.272CS..G310 helixtrans-54-35.1177.7168.80000112.1N46 L68 T72 M77 E78 H80 F120N46-V75 WeakPolarHBondContact ND2-CG2 3.43Å; L68-V75 HydrophobicContact CD1-CG1 4.13Å; T72-V75 WeakPolarHBondContact O-CB 3.4Å; T72-V75 PolarHBondContact O-N 3.28Å; V75-M77 PolarHBondContact O-N 2.91Å; V75-E78 PolarHBondContact O-N 2.93Å; V75-H80 PolarHBondContact O-NE2 2.82Å; V75-F120 HydrophobicContact CG1-CZ 4.28Å; V75-F120 VanDerWaalsContact O-CE2 3.24Å; V75-F120 WeakPolarHBondContact O-CE2 3.3Å
76F85.9Confident92Very high40 Ų4051.6 Ų51.618%0.17525%0.251CS..G310 helixtrans-73.5-11.3179.2-64.4-73.5000114K16 L68 Y71 T72 D73 E74 F120K16-F76 HydrophobicContact CG-CE2 4.47Å; K16-F76 HydrophobicContact CG-CZ 4.36Å; L68-F76 HydrophobicContact CD2-CE1 4.04Å; L68-F76 HydrophobicContact CD2-CZ 4.23Å; Y71-F76 HydrophobicContact CD2-CD2 4.48Å; Y71-F76 AromaticContact CD2-CE2 3.36Å; Y71-F76 HydrophobicContact CD2-CE2 3.36Å; Y71-F76 AromaticContact CD2-CZ 3.6Å; Y71-F76 HydrophobicContact CD2-CZ 3.6Å; Y71-F76 AromaticContact CE2-CE2 3.74Å; Y71-F76 HydrophobicContact CE2-CE2 3.74Å; Y71-F76 AromaticContact CE2-CZ 3.83Å; Y71-F76 HydrophobicContact CE2-CZ 3.83Å; Y71-F76 HydrophobicContact CG-CE2 4.28Å; Y71-F76 HydrophobicContact CG-CZ 4.23Å; T72-F76 WeakPolarHBondContact O-CD2 3.49Å; D73-F76 PolarHBondContact O-N 3.07Å; E74-F76 PolarHBondContact O-N 2.94Å; E74-F76 VanDerWaalsContact O-N 3.11Å; F76-F120 HydrophobicContact CB-CB 4.47Å; F76-F120 HydrophobicContact CD1-CB 3.91Å; F76-F120 AromaticContact CD1-CD1 3.63Å; F76-F120 HydrophobicContact CD1-CD1 3.63Å; F76-F120 HydrophobicContact CD1-CE1 4.29Å; F76-F120 AromaticContact CD1-CG 3.79Å; F76-F120 HydrophobicContact CD1-CG 3.79Å; F76-F120 HydrophobicContact CE1-CD1 4.04Å
77M86.4Confident91.9Very high164 Ų16452 Ų5281%0.80825%0.253SS*.G310 helixtrans-97-14.6178.1-56-59.4154.900112.5E74 V75E74-M77 WeakPolarHBondContact O-CA 3.42Å; E74-M77 WeakPolarHBondContact O-CB 2.92Å; E74-M77 PolarHBondContact O-N 2.82Å; V75-M77 PolarHBondContact O-N 2.91Å
78E91.2Very high91.9Very high85 Ų8554.7 Ų54.740%0.39727%0.271SS..SBendtrans-84.2161.6-177.5-70.3176.618000113H43 E74 V75 H80H43-E78 IonicContact CD2-OE2 3.48Å; H43-E78 IonicContact CE1-OE2 3.45Å; H43-E78 IonicContact NE2-OE2 3.76Å; E74-E78 PolarHBondContact O-N 3.46Å; V75-E78 PolarHBondContact O-N 2.93Å; E78-H80 WeakPolarHBondContact CB-NE2 3.19Å; E78-H80 IonicContact OE2-NE2 2.89Å; E78-H80 PolarHBondContact OE2-NE2 2.92Å
79K93.4Very high91.7Very high154 Ų15455.1 Ų55.167%0.6727%0.274SS*.  trans-95110.7174.2-69.4-179.4-176.6171.50110.1Y81K79-Y81 HydrophobicContact CB-CE2 3.88Å
80H96.4Very high91.4Very high0 Ų055.2 Ų55.20%029%0.292CS..EExtended strand (participates in β ladder)trans-105.2142.3-177.7-72.1-136.8000111.2H43 Y47 V75 E78 I118 F120H43-H80 AromaticContact CE1-CD2 3.43Å; H43-H80 PolarHBondContact CE1-CD2 3.24Å; H43-H80 VanDerWaalsContact CE1-CD2 3.43Å; H43-H80 AromaticContact CE1-CE1 3.83Å; H43-H80 AromaticContact CE1-CG 3.84Å; H43-H80 AromaticContact CE1-NE2 3.42Å; H43-H80 PolarHBondContact CE1-NE2 2.91Å; H43-H80 AromaticContact CG-CE1 3.56Å; H43-H80 AromaticContact CG-ND1 3.88Å; H43-H80 AromaticContact CG-NE2 3.88Å; H43-H80 AromaticContact ND1-CD2 3.25Å; H43-H80 PolarHBondContact ND1-CD2 2.97Å; H43-H80 VanDerWaalsContact ND1-CD2 3.25Å; H43-H80 AromaticContact ND1-CE1 3.07Å; H43-H80 PolarHBondContact ND1-CE1 3.17Å; H43-H80 AromaticContact ND1-CG 3.25Å; H43-H80 AromaticContact ND1-ND1 3.15Å; H43-H80 PolarHBondContact ND1-ND1 2.92Å; H43-H80 VanDerWaalsContact ND1-ND1 3.15Å; H43-H80 AromaticContact ND1-NE2 3.13Å; H43-H80 PolarHBondContact ND1-NE2 3.34Å; H43-H80 VanDerWaalsContact ND1-NE2 3.13Å; Y47-H80 HydrophobicContact CE2-CB 4.37Å; Y47-H80 AromaticContact CE2-ND1 3.19Å; Y47-H80 WeakPolarHBondContact CE2-ND1 3.33Å; Y47-H80 AromaticContact CZ-ND1 3.36Å; Y47-H80 WeakPolarHBondContact OH-CB 3.28Å; Y47-H80 PolarHBondContact OH-ND1 3.43Å; V75-H80 PolarHBondContact O-NE2 2.82Å; E78-H80 WeakPolarHBondContact CB-NE2 3.19Å; E78-H80 IonicContact OE2-NE2 2.89Å; E78-H80 PolarHBondContact OE2-NE2 2.92Å; H80-I118 HydrophobicContact CB-CB 3.91Å; H80-I118 HydrophobicContact CB-CD1 4.31Å; H80-I118 HydrophobicContact CB-CG2 4.48Å; H80-I118 PolarHBondContact O-N 2.84Å; H80-F120 HydrophobicContact CB-CE2 4.2Å; H80-F120 HydrophobicContact CB-CZ 4.19Å; H80-F120 AromaticContact CD2-CE2 3.72Å; H80-F120 AromaticContact CG-CE2 3.82Å; H80-F120 AromaticContact CG-CZ 3.77Å; H80-F120 AromaticContact ND1-CZ 3.77Å
81Y96.9Very high90.4Very high69 Ų6962 Ų6227%0.27132%0.322SS..EExtended strand (participates in β ladder)trans-139.4152.1174.8-52.9-93.5000110.8T42 K79 L116 R117T42-Y81 HydrophobicContact CG2-CD2 4.15Å; T42-Y81 PolarHBondContact N-O 2.83Å; T42-Y81 PolarHBondContact OG1-N 3.24Å; T42-Y81 VanDerWaalsContact OG1-N 3.16Å; T42-Y81 PolarHBondContact OG1-O 2.81Å; K79-Y81 HydrophobicContact CB-CE2 3.88Å; Y81-L116 CarbonylContact C-O 3.54Å; Y81-L116 WeakPolarHBondContact CA-O 3.47Å; Y81-R117 HydrophobicContact CD1-CB 4.02Å; Y81-R117 HydrophobicContact CD1-CG 4.22Å; Y81-R117 HydrophobicContact CE1-CB 4.04Å; Y81-R117 HydrophobicContact CE1-CG 3.89Å
82L97.7Very high89.9Confident0 Ų067.8 Ų67.80%035%0.351CS..EExtended strand (participates in β ladder)trans-102.5131.2159.1-56.6-179.4000108.5L11 F25 V39 R40 A41 V49 V66 K115 L116 I118L11-L82 HydrophobicContact CD1-CD1 3.95Å; F25-L82 HydrophobicContact CE1-CD1 3.84Å; V39-L82 HydrophobicContact CG1-CB 4.11Å; V39-L82 HydrophobicContact CG1-CD1 4.31Å; R40-L82 CarbonylContact O-C 3.49Å; R40-L82 WeakPolarHBondContact O-CA 3.45Å; A41-L82 HydrophobicContact CB-CD2 3.6Å; V49-L82 HydrophobicContact CG2-CD2 4.39Å; V66-L82 HydrophobicContact CB-CD1 4.41Å; V66-L82 HydrophobicContact CG1-CD1 4.01Å; V66-L82 HydrophobicContact CG2-CD1 3.52Å; L82-K115 CarbonylContact O-C 3.5Å; L82-K115 WeakPolarHBondContact O-CA 3.29Å; L82-L116 HydrophobicContact CB-CB 4.28Å; L82-L116 HydrophobicContact CD1-CD2 4.33Å; L82-L116 PolarHBondContact N-O 2.77Å; L82-L116 PolarHBondContact O-N 2.84Å; L82-I118 HydrophobicContact CD1-CD1 4.5Å; L82-I118 HydrophobicContact CD2-CD1 4.05Å; L82-I118 HydrophobicContact CG-CD1 3.93Å; L82-I118 HydrophobicContact CG-CG1 4.39Å
83E97Very high89.2Confident69 Ų6969.9 Ų69.932%0.32236%0.359SS..EExtended strand (participates in β ladder)trans-97.2116.7169.7-172.1172-150.800108.9V39 R40 L85 S113V39-E83 CarbonylContact C-O 3.54Å; V39-E83 WeakPolarHBondContact CA-O 3.41Å; R40-E83 HydrophobicContact CB-CB 4.49Å; R40-E83 PolarHBondContact N-O 3.16Å; R40-E83 PolarHBondContact O-N 2.78Å; E83-L85 HydrophobicContact CG-CD2 3.81Å; E83-L85 HydrophobicContact CG-CG 4.31Å; E83-S113 WeakPolarHBondContact CG-OG 3.12Å; E83-S113 PolarHBondContact OE1-OG 2.95Å
84V97.3Very high88.8Confident0 Ų066.6 Ų66.60%034%0.343CS..EExtended strand (participates in β ladder)trans-100.3112.6176.4-174.50000108.2I4 V6 F25 L27 V39 S113 L114I4-V84 HydrophobicContact CD1-CG1 4.12Å; V6-V84 HydrophobicContact CG2-CG2 4.34Å; F25-V84 HydrophobicContact CE2-CG2 4.12Å; F25-V84 HydrophobicContact CZ-CG2 4.13Å; L27-V84 HydrophobicContact CD1-CG1 3.86Å; L27-V84 HydrophobicContact CD2-CG1 3.84Å; L27-V84 HydrophobicContact CG-CG1 4.48Å; V39-V84 HydrophobicContact CG1-CG2 4.5Å; V39-V84 HydrophobicContact CG2-CG2 4.45Å; V84-S113 WeakPolarHBondContact O-CA 3.26Å; V84-L114 PolarHBondContact N-O 2.78Å; V84-L114 PolarHBondContact O-N 2.87Å
85L96.1Very high88.3Confident8 Ų866 Ų664%0.04235%0.349CS..EExtended strand (participates in β ladder)trans-99141.5179-56.9176.4000109.7Y37 K38 E83 W101 P111 T112Y37-L85 CarbonylContact C-O 3.54Å; Y37-L85 WeakPolarHBondContact CA-O 3.48Å; K38-L85 HydrophobicContact CB-CB 4.44Å; K38-L85 PolarHBondContact N-O 3.37Å; K38-L85 WeakPolarHBondContact O-CB 3.33Å; K38-L85 PolarHBondContact O-N 3.34Å; E83-L85 HydrophobicContact CG-CD2 3.81Å; E83-L85 HydrophobicContact CG-CG 4.31Å; L85-W101 HydrophobicContact CB-CH2 3.92Å; L85-W101 HydrophobicContact CB-CZ3 4.24Å; L85-P111 HydrophobicContact CB-CB 4.19Å; L85-P111 HydrophobicContact CD1-CG 4.49Å; L85-P111 HydrophobicContact CD2-CB 4.31Å; L85-P111 HydrophobicContact CD2-CG 3.93Å; L85-T112 CarbonylContact C-O 3.51Å; L85-T112 WeakPolarHBondContact CA-O 3.42Å
86A95.8Very high88.3Confident1 Ų167.5 Ų67.51%0.00836%0.36CS..EExtended strand (participates in β ladder)trans-140.4141.1174.500000112.6I4 I35 A36 T112I4-A86 HydrophobicContact CD1-CB 3.98Å; I4-A86 HydrophobicContact CG2-CB 3.55Å; I35-A86 HydrophobicContact CD1-CB 4.18Å; A36-A86 VanDerWaalsContact O-CA 3.27Å; A36-A86 WeakPolarHBondContact O-CA 3.19Å; A86-T112 PolarHBondContact N-O 2.72Å; A86-T112 PolarHBondContact O-N 3.13Å
87L94.7Very high88.3Confident9 Ų967 Ų675%0.04736%0.361CS..EExtended strand (participates in β ladder)trans-137.9142.7174.5-78173.8000110.6I35 A36 V89 F100 W101 A104 I109 P111I35-L87 CarbonylContact C-O 3.49Å; I35-L87 WeakPolarHBondContact CA-O 3.43Å; I35-L87 WeakPolarHBondContact CB-O 3.44Å; A36-L87 PolarHBondContact N-O 3.16Å; A36-L87 PolarHBondContact O-N 3.19Å; L87-V89 PolarHBondContact O-N 3.22Å; L87-F100 HydrophobicContact CB-CE1 3.93Å; L87-F100 HydrophobicContact CB-CZ 3.9Å; L87-F100 HydrophobicContact CD1-CE1 4.18Å; L87-F100 HydrophobicContact CD1-CZ 4.48Å; L87-W101 HydrophobicContact CB-CH2 4.47Å; L87-W101 HydrophobicContact CD1-CE3 4.3Å; L87-W101 HydrophobicContact CD1-CH2 4.26Å; L87-W101 HydrophobicContact CD1-CZ3 3.72Å; L87-W101 HydrophobicContact CG-CH2 4.31Å; L87-W101 HydrophobicContact CG-CZ3 4.19Å; L87-A104 HydrophobicContact CD1-CB 3.65Å; L87-I109 HydrophobicContact CD1-CG2 4.3Å; L87-I109 HydrophobicContact CD2-CG2 3.55Å; L87-P111 HydrophobicContact CD1-CB 4.29Å; L87-P111 HydrophobicContact CD2-CB 4.1Å; L87-P111 HydrophobicContact CG-CB 3.88Å
88P93.3Very high88.3Confident70 Ų7063.7 Ų63.746%0.45535%0.347SS..EExtended strand (participates in β ladder)trans-63.7134.2171.728.1-33000110
89V88.4Confident88.2Confident8 Ų864.2 Ų64.25%0.04835%0.349CS..  trans-89.7126.2168.4-177.20000105.6R34 A36 F55 L87 P94 F100R34-V89 HydrophobicContact CB-CB 4.38Å; R34-V89 HydrophobicContact CG-CB 4.4Å; R34-V89 PolarHBondContact O-N 3Å; A36-V89 HydrophobicContact CB-CG2 3.74Å; F55-V89 HydrophobicContact CD1-CG2 3.71Å; F55-V89 HydrophobicContact CE1-CG2 3.83Å; L87-V89 PolarHBondContact O-N 3.22Å; V89-P94 VanDerWaalsContact CG1-CD 3.43Å; V89-P94 HydrophobicContact CG1-CG 4.03Å; V89-F100 HydrophobicContact CG2-CE2 4.16Å; V89-F100 HydrophobicContact CG2-CZ 4.26Å
90G81.8Confident88.1Confident59 Ų5958.4 Ų58.461%0.60832%0.324SS*.  trans-63-166179.300000112.6E92G90-E92 PolarHBondContact O-N 3.5Å
91L68.9Low87.9Confident186 Ų18659 Ų5997%0.97433%0.326SS*.SBendtrans-70.3-23.9177.3-68.2166.1000112.8
92E77.6Confident87.6Confident173 Ų17359.6 Ų59.681%0.80834%0.337SS*.SBendtrans-87.1125.1177.1-65.7-179.6-17900109.8G90 P94G90-E92 PolarHBondContact O-N 3.5Å; E92-P94 WeakPolarHBondContact O-CD 3.33Å
93D73.1Confident87.3Confident119 Ų11963.5 Ų63.564%0.63636%0.355SS*.PPolyproline II helixtrans-69.5123.4175.1-76.9-37.8000109.6R34R34-D93 IonicContact CZ-OD1 2.96Å; R34-D93 IonicContact NH1-OD1 3.34Å; R34-D93 PolarHBondContact NH1-OD1 3.37Å
94P76.3Confident87Confident35 Ų3560.5 Ų60.523%0.22734%0.342CS..PPolyproline II helixtrans-67144.4176.627.6-34.5000110.3F55 V89 E92 S96 F100F55-P94 HydrophobicContact CE1-CG 3.55Å; F55-P94 HydrophobicContact CE2-CG 4.26Å; F55-P94 HydrophobicContact CZ-CB 4.36Å; F55-P94 HydrophobicContact CZ-CG 3.32Å; V89-P94 VanDerWaalsContact CG1-CD 3.43Å; V89-P94 HydrophobicContact CG1-CG 4.03Å; E92-P94 WeakPolarHBondContact O-CD 3.33Å; P94-S96 PolarHBondContact O-N 3.02Å; P94-F100 HydrophobicContact CB-CB 3.91Å; P94-F100 HydrophobicContact CB-CD2 4.14Å; P94-F100 HydrophobicContact CB-CG 4.46Å; P94-F100 HydrophobicContact CG-CB 4.26Å; P94-F100 HydrophobicContact CG-CD2 4.2Å
95V77.3Confident86.6Confident130 Ų13064.9 Ų64.979%0.78837%0.368SS*.SBendtrans-57.1-39.1179.3177.70000111.5
96S88Confident86.4Confident39 Ų3971.3 Ų71.327%0.27340%0.399SS..  trans-152.7159.4172.877.10000111.6P94 D98 Q99 F100P94-S96 PolarHBondContact O-N 3.02Å; S96-D98 VanDerWaalsContact C-N 3.3Å; S96-D98 PolarHBondContact O-N 3.37Å; S96-Q99 PolarHBondContact O-N 2.85Å; S96-Q99 WeakPolarHBondContact OG-CB 3.43Å; S96-Q99 WeakPolarHBondContact OG-CG 3.35Å; S96-Q99 PolarHBondContact OG-N 3.32Å; S96-F100 PolarHBondContact O-N 3.27Å; S96-F100 VanDerWaalsContact O-N 3.13Å
97S86.5Confident86.2Confident28 Ų2877.5 Ų77.520%0.19643%0.425CS..Hα-helixtrans-61.1-38.3175.553.20000112.6F100 W101S97-F100 WeakPolarHBondContact O-CB 3.25Å; S97-F100 PolarHBondContact O-N 3.13Å; S97-W101 PolarHBondContact O-N 3.13Å
98D87.1Confident86.1Confident96 Ų9683.8 Ų83.851%0.51346%0.459SS..Hα-helixtrans-69.8-42.1-178.4-66.7-40.2000112.2S96 F100 W101 V102S96-D98 VanDerWaalsContact C-N 3.3Å; S96-D98 PolarHBondContact O-N 3.37Å; D98-F100 VanDerWaalsContact C-N 3.32Å; D98-F100 PolarHBondContact O-N 3.24Å; D98-W101 PolarHBondContact O-N 3.05Å; D98-V102 WeakPolarHBondContact O-CG2 3.38Å; D98-V102 PolarHBondContact O-N 3.23Å
99Q88.1Confident86Confident96 Ų9684.4 Ų84.445%0.44946%0.458SS..Hα-helixtrans-62.3-42.1175.9-73179.86.500111.2S96 W101 V102 E103S96-Q99 PolarHBondContact O-N 2.85Å; S96-Q99 WeakPolarHBondContact OG-CB 3.43Å; S96-Q99 WeakPolarHBondContact OG-CG 3.35Å; S96-Q99 PolarHBondContact OG-N 3.32Å; Q99-W101 VanDerWaalsContact C-N 3.3Å; Q99-W101 PolarHBondContact O-N 3.31Å; Q99-V102 PolarHBondContact O-N 2.91Å; Q99-V102 VanDerWaalsContact O-N 3.12Å; Q99-E103 PolarHBondContact O-N 3.12Å
100F92Very high86.1Confident31 Ų3190.1 Ų90.114%0.13649%0.492CS..Hα-helixtrans-54.3-45.9174.8175.7-89.9000112.1A36 L87 V89 P94 S96 S97 D98 E103 A104A36-F100 HydrophobicContact CB-CD1 3.54Å; A36-F100 HydrophobicContact CB-CE1 3.31Å; A36-F100 HydrophobicContact CB-CG 4.36Å; A36-F100 HydrophobicContact CB-CZ 3.94Å; L87-F100 HydrophobicContact CB-CE1 3.93Å; L87-F100 HydrophobicContact CB-CZ 3.9Å; L87-F100 HydrophobicContact CD1-CE1 4.18Å; L87-F100 HydrophobicContact CD1-CZ 4.48Å; V89-F100 HydrophobicContact CG2-CE2 4.16Å; V89-F100 HydrophobicContact CG2-CZ 4.26Å; P94-F100 HydrophobicContact CB-CB 3.91Å; P94-F100 HydrophobicContact CB-CD2 4.14Å; P94-F100 HydrophobicContact CB-CG 4.46Å; P94-F100 HydrophobicContact CG-CB 4.26Å; P94-F100 HydrophobicContact CG-CD2 4.2Å; S96-F100 PolarHBondContact O-N 3.27Å; S96-F100 VanDerWaalsContact O-N 3.13Å; S97-F100 WeakPolarHBondContact O-CB 3.25Å; S97-F100 PolarHBondContact O-N 3.13Å; D98-F100 VanDerWaalsContact C-N 3.32Å; D98-F100 PolarHBondContact O-N 3.24Å; F100-E103 PolarHBondContact O-N 3.46Å; F100-A104 WeakPolarHBondContact O-CB 3.38Å; F100-A104 PolarHBondContact O-N 3.12Å
101W91.3Very high86.7Confident12 Ų1289.3 Ų89.35%0.04548%0.476CS..Hα-helixtrans-69.3-33.6179.2-73.4110.1000113A36 K38 L85 L87 S97 D98 Q99 V105 P111A36-W101 HydrophobicContact CB-CZ2 4.02Å; K38-W101 HydrophobicContact CB-CD2 4.07Å; K38-W101 VanDerWaalsContact CB-CE2 3.49Å; K38-W101 HydrophobicContact CB-CH2 4.04Å; K38-W101 HydrophobicContact CB-CZ2 3.51Å; K38-W101 HydrophobicContact CD-CD2 4.05Å; K38-W101 HydrophobicContact CD-CG 4.02Å; L85-W101 HydrophobicContact CB-CH2 3.92Å; L85-W101 HydrophobicContact CB-CZ3 4.24Å; L87-W101 HydrophobicContact CB-CH2 4.47Å; L87-W101 HydrophobicContact CD1-CE3 4.3Å; L87-W101 HydrophobicContact CD1-CH2 4.26Å; L87-W101 HydrophobicContact CD1-CZ3 3.72Å; L87-W101 HydrophobicContact CG-CH2 4.31Å; L87-W101 HydrophobicContact CG-CZ3 4.19Å; S97-W101 PolarHBondContact O-N 3.13Å; D98-W101 PolarHBondContact O-N 3.05Å; Q99-W101 VanDerWaalsContact C-N 3.3Å; Q99-W101 PolarHBondContact O-N 3.31Å; W101-V105 VanDerWaalsContact O-CG2 3.25Å; W101-V105 WeakPolarHBondContact O-CG2 3.16Å; W101-V105 PolarHBondContact O-N 2.91Å; W101-P111 HydrophobicContact CZ3-CB 4.38Å
102V91.1Very high87.9Confident82 Ų8283.4 Ų83.450%0.49745%0.448SS..Hα-helixtrans-64.8-47.4174172.10000110.5D98 Q99 V105 Q106D98-V102 WeakPolarHBondContact O-CG2 3.38Å; D98-V102 PolarHBondContact O-N 3.23Å; Q99-V102 PolarHBondContact O-N 2.91Å; Q99-V102 VanDerWaalsContact O-N 3.12Å; V102-V105 PolarHBondContact O-N 3.15Å; V102-Q106 WeakPolarHBondContact O-CG 3.37Å; V102-Q106 PolarHBondContact O-N 3.49Å
103E90.9Very high88.6Confident83 Ų8377.8 Ų77.839%0.38843%0.427SS..Hα-helixtrans-63.3-42.6177.2-73.7-173.7-150.500112.8Q99 F100 V105 Q106 K107Q99-E103 PolarHBondContact O-N 3.12Å; F100-E103 PolarHBondContact O-N 3.46Å; E103-V105 VanDerWaalsContact C-N 3.26Å; E103-V105 PolarHBondContact O-N 3.22Å; E103-Q106 PolarHBondContact O-N 3.48Å; E103-K107 WeakPolarHBondContact O-CB 3.37Å; E103-K107 WeakPolarHBondContact O-CG 3.41Å; E103-K107 PolarHBondContact O-N 3.35Å; E103-K107 IonicContact OE2-NZ 3.6Å; E103-K107 PolarHBondContact OE2-NZ 3.43Å
104A91.1Very high89.7Confident5 Ų574.7 Ų74.74%0.04141%0.411CS..Hα-helixtrans-60.4-39.1178.800000111.7L87 F100 K107 N108 I109L87-A104 HydrophobicContact CD1-CB 3.65Å; F100-A104 WeakPolarHBondContact O-CB 3.38Å; F100-A104 PolarHBondContact O-N 3.12Å; A104-K107 PolarHBondContact O-N 3.47Å; A104-N108 PolarHBondContact O-N 3.13Å; A104-I109 PolarHBondContact O-N 3.16Å
105V90.1Very high90.7Very high92 Ų9280.4 Ų80.456%0.55843%0.432SS*.Hα-helixtrans-66.6-45.3174.2171.50000110.9W101 V102 E103 K107 N108W101-V105 VanDerWaalsContact O-CG2 3.25Å; W101-V105 WeakPolarHBondContact O-CG2 3.16Å; W101-V105 PolarHBondContact O-N 2.91Å; V102-V105 PolarHBondContact O-N 3.15Å; E103-V105 VanDerWaalsContact C-N 3.26Å; E103-V105 PolarHBondContact O-N 3.22Å; V105-K107 VanDerWaalsContact C-N 3.28Å; V105-K107 PolarHBondContact O-N 3.43Å; V105-N108 PolarHBondContact O-N 3.23Å
106Q91.9Very high91.6Very high144 Ų14474.2 Ų74.267%0.67340%0.395SS*.Hα-helixtrans-61-37.4176.9-71.3173.53.500112.5V102 E103 N108V102-Q106 WeakPolarHBondContact O-CG 3.37Å; V102-Q106 PolarHBondContact O-N 3.49Å; E103-Q106 PolarHBondContact O-N 3.48Å; Q106-N108 PolarHBondContact O-N 2.86Å
107K91.8Very high92Very high131 Ų13177 Ų7757%0.5740%0.399SS*.THydrogen-bonded Turntrans-78.80.8176.4-68.7167.5-179.4161.40113.1E103 A104 V105 I109E103-K107 WeakPolarHBondContact O-CB 3.37Å; E103-K107 WeakPolarHBondContact O-CG 3.41Å; E103-K107 PolarHBondContact O-N 3.35Å; E103-K107 IonicContact OE2-NZ 3.6Å; E103-K107 PolarHBondContact OE2-NZ 3.43Å; A104-K107 PolarHBondContact O-N 3.47Å; V105-K107 VanDerWaalsContact C-N 3.28Å; V105-K107 PolarHBondContact O-N 3.43Å; K107-I109 HydrophobicContact CB-CD1 3.96Å; K107-I109 HydrophobicContact CB-CG1 3.76Å; K107-I109 HydrophobicContact CD-CD1 4.29Å; K107-I109 PolarHBondContact O-N 2.95Å
108N91.5Very high92.4Very high141 Ų14175.9 Ų75.975%0.75439%0.391SS*.THydrogen-bonded Turntrans52.535.3-176.5-65-62.4000113.9A104 V105 Q106 V110A104-N108 PolarHBondContact O-N 3.13Å; V105-N108 PolarHBondContact O-N 3.23Å; Q106-N108 PolarHBondContact O-N 2.86Å; N108-V110 PolarHBondContact O-N 3.42Å
109I90.4Very high92.7Very high83 Ų8375.5 Ų75.543%0.42638%0.382SS..PPolyproline II helixtrans-76.6124.7179-53.5176.4000108.8L87 A104 K107 P111L87-I109 HydrophobicContact CD1-CG2 4.3Å; L87-I109 HydrophobicContact CD2-CG2 3.55Å; A104-I109 PolarHBondContact O-N 3.16Å; K107-I109 HydrophobicContact CB-CD1 3.96Å; K107-I109 HydrophobicContact CB-CG1 3.76Å; K107-I109 HydrophobicContact CD-CD1 4.29Å; K107-I109 PolarHBondContact O-N 2.95Å; I109-P111 VanDerWaalsContact O-CD 3.3Å; I109-P111 WeakPolarHBondContact O-CD 3.47Å
110V91.9Very high92.8Very high128 Ų12872.7 Ų72.778%0.77637%0.369SS*.PPolyproline II helixtrans-81.4116178.8-178.40000109.9N108N108-V110 PolarHBondContact O-N 3.42Å
111P93.5Very high92.4Very high41 Ų4173 Ų7327%0.26638%0.375SS..PPolyproline II helixtrans-71.8151.6177.430.5-35.3000112.4L85 L87 W101 I109 S113L85-P111 HydrophobicContact CB-CB 4.19Å; L85-P111 HydrophobicContact CD1-CG 4.49Å; L85-P111 HydrophobicContact CD2-CB 4.31Å; L85-P111 HydrophobicContact CD2-CG 3.93Å; L87-P111 HydrophobicContact CD1-CB 4.29Å; L87-P111 HydrophobicContact CD2-CB 4.1Å; L87-P111 HydrophobicContact CG-CB 3.88Å; W101-P111 HydrophobicContact CZ3-CB 4.38Å; I109-P111 VanDerWaalsContact O-CD 3.3Å; I109-P111 WeakPolarHBondContact O-CD 3.47Å; P111-S113 PolarHBondContact O-N 3.02Å
112T93.8Very high91.6Very high62 Ų6280.4 Ų80.438%0.3841%0.407SS..EExtended strand (participates in β ladder)trans-68125.6161.7-61.60000107.7I4 L85 A86I4-T112 HydrophobicContact CG1-CG2 4.43Å; L85-T112 CarbonylContact C-O 3.51Å; L85-T112 WeakPolarHBondContact CA-O 3.42Å; A86-T112 PolarHBondContact N-O 2.72Å; A86-T112 PolarHBondContact O-N 3.13Å
113S94Very high90.3Very high55 Ų5578 Ų7839%0.38540%0.396SS..EExtended strand (participates in β ladder)trans-119.4136.6-177.7177.10000111.2E83 V84 P111E83-S113 WeakPolarHBondContact CG-OG 3.12Å; E83-S113 PolarHBondContact OE1-OG 2.95Å; V84-S113 WeakPolarHBondContact O-CA 3.26Å; P111-S113 PolarHBondContact O-N 3.02Å
114L95.5Very high88.9Confident54 Ų5479 Ų7928%0.28341%0.412SS..EExtended strand (participates in β ladder)trans-127.2131.5172.4-177.5151.7000109.7I4 V6 V84 L116I4-L114 HydrophobicContact CD1-CB 4.16Å; V6-L114 HydrophobicContact CB-CD1 4.45Å; V6-L114 HydrophobicContact CB-CD2 4.05Å; V6-L114 HydrophobicContact CG2-CD1 4.35Å; V6-L114 HydrophobicContact CG2-CD2 3.92Å; V84-L114 PolarHBondContact N-O 2.78Å; V84-L114 PolarHBondContact O-N 2.87Å; L114-L116 HydrophobicContact CD2-CB 4.37Å
115K96.2Very high87.6Confident155 Ų15580.5 Ų80.567%0.67442%0.422SS*.EExtended strand (participates in β ladder)trans-96.8110.6176.7-67.5-175.3179.7-179.20110.8L82L82-K115 CarbonylContact O-C 3.5Å; L82-K115 WeakPolarHBondContact O-CA 3.29Å
116L97.2Very high86.4Confident1 Ų184.7 Ų84.71%0.00543%0.433CS..EExtended strand (participates in β ladder)trans-91.4117.7173.2175.160.9000109.5V6 P8 D9 L11 F25 Y81 L82 L114V6-L116 HydrophobicContact CG1-CD1 4.02Å; V6-L116 HydrophobicContact CG1-CD2 3.91Å; V6-L116 HydrophobicContact CG1-CG 4.39Å; P8-L116 WeakPolarHBondContact O-CD1 3.45Å; D9-L116 VanDerWaalsContact C-CD1 3.44Å; D9-L116 VanDerWaalsContact O-CD1 3.3Å; D9-L116 WeakPolarHBondContact O-CD1 3.44Å; L11-L116 HydrophobicContact CD1-CD2 3.84Å; L11-L116 HydrophobicContact CD1-CG 4.45Å; L11-L116 HydrophobicContact CD2-CD2 4.38Å; L11-L116 HydrophobicContact CG-CD1 4.43Å; L11-L116 HydrophobicContact CG-CD2 3.84Å; L11-L116 HydrophobicContact CG-CG 4.16Å; F25-L116 HydrophobicContact CB-CD2 4.12Å; F25-L116 HydrophobicContact CD1-CD2 3.55Å; F25-L116 HydrophobicContact CD2-CD2 4.14Å; F25-L116 HydrophobicContact CE1-CD2 3.89Å; F25-L116 HydrophobicContact CE2-CD2 4.41Å; F25-L116 HydrophobicContact CG-CD2 3.68Å; F25-L116 HydrophobicContact CZ-CD2 4.29Å; Y81-L116 CarbonylContact C-O 3.54Å; Y81-L116 WeakPolarHBondContact CA-O 3.47Å; L82-L116 HydrophobicContact CB-CB 4.28Å; L82-L116 HydrophobicContact CD1-CD2 4.33Å; L82-L116 PolarHBondContact N-O 2.77Å; L82-L116 PolarHBondContact O-N 2.84Å; L114-L116 HydrophobicContact CD2-CB 4.37Å
117R96.6Very high84.8Confident97 Ų9783.7 Ų83.737%0.36642%0.423SS..EExtended strand (participates in β ladder)trans-78.4136.9-177-177.2176.2175.9169.6-1.5111.2E10 L11 Y81 R119E10-R117 WeakPolarHBondContact CA-O 3.44Å; L11-R117 PolarHBondContact N-O 2.68Å; Y81-R117 HydrophobicContact CD1-CB 4.02Å; Y81-R117 HydrophobicContact CD1-CG 4.22Å; Y81-R117 HydrophobicContact CE1-CB 4.04Å; Y81-R117 HydrophobicContact CE1-CG 3.89Å; R117-R119 HydrophobicContact CG-CG 4.36Å
118I95.6Very high83.2Confident4 Ų478.5 Ų78.52%0.02140%0.401CS..EExtended strand (participates in β ladder)trans-102.3127.3167.6-54.5178000108.5L11 I13 Y47 H80 L82 F120L11-I118 HydrophobicContact CB-CG1 4.35Å; L11-I118 HydrophobicContact CD1-CG1 4.41Å; I13-I118 HydrophobicContact CD1-CG2 3.83Å; I13-I118 HydrophobicContact CG1-CG2 4.27Å; Y47-I118 HydrophobicContact CD1-CD1 4.35Å; Y47-I118 HydrophobicContact CE1-CD1 3.65Å; Y47-I118 HydrophobicContact CE2-CD1 3.98Å; Y47-I118 VanDerWaalsContact CZ-CD1 3.44Å; Y47-I118 WeakPolarHBondContact OH-CD1 3.3Å; H80-I118 HydrophobicContact CB-CB 3.91Å; H80-I118 HydrophobicContact CB-CD1 4.31Å; H80-I118 HydrophobicContact CB-CG2 4.48Å; H80-I118 PolarHBondContact O-N 2.84Å; L82-I118 HydrophobicContact CD1-CD1 4.5Å; L82-I118 HydrophobicContact CD2-CD1 4.05Å; L82-I118 HydrophobicContact CG-CD1 3.93Å; L82-I118 HydrophobicContact CG-CG1 4.39Å; I118-F120 HydrophobicContact CG2-CE1 4.15Å; I118-F120 HydrophobicContact CG2-CZ 4.23Å
119R92.3Very high81.6Confident88 Ų8877.1 Ų77.133%0.33239%0.391SS..EExtended strand (participates in β ladder)trans-111.5144172.5-69.3-162.9-173.3-140.35.5110.5E10 L11 L12 I13 R117E10-R119 IonicContact OE1-NE 3.96Å; E10-R119 WeakPolarHBondContact OE2-CD 3.14Å; E10-R119 IonicContact OE2-CZ 2.78Å; E10-R119 IonicContact OE2-NE 2.73Å; E10-R119 PolarHBondContact OE2-NE 2.79Å; E10-R119 IonicContact OE2-NH2 2.89Å; E10-R119 PolarHBondContact OE2-NH2 3.06Å; L11-R119 PolarHBondContact O-N 2.97Å; L12-R119 WeakPolarHBondContact CA-O 3.31Å; L12-R119 HydrophobicContact CD1-CB 3.9Å; I13-R119 PolarHBondContact N-O 2.73Å; R117-R119 HydrophobicContact CG-CG 4.36Å
120F90.6Very high80.2Confident38 Ų3883 Ų8317%0.16741%0.408CS..EExtended strand (participates in β ladder)trans-104.6139.4170.9-55.2-68.4000110I13 Y47 L68 V75 F76 H80 I118I13-F120 HydrophobicContact CB-CD1 3.91Å; I13-F120 HydrophobicContact CB-CE1 4.21Å; I13-F120 HydrophobicContact CD1-CE1 4.19Å; I13-F120 HydrophobicContact CG2-CD1 4.04Å; I13-F120 HydrophobicContact CG2-CE1 4.3Å; I13-F120 WeakPolarHBondContact O-CA 3.19Å; Y47-F120 VanDerWaalsContact OH-CZ 3.3Å; Y47-F120 WeakPolarHBondContact OH-CZ 3.19Å; L68-F120 HydrophobicContact CD2-CE1 4.07Å; V75-F120 HydrophobicContact CG1-CZ 4.28Å; V75-F120 VanDerWaalsContact O-CE2 3.24Å; V75-F120 WeakPolarHBondContact O-CE2 3.3Å; F76-F120 HydrophobicContact CB-CB 4.47Å; F76-F120 HydrophobicContact CD1-CB 3.91Å; F76-F120 AromaticContact CD1-CD1 3.63Å; F76-F120 HydrophobicContact CD1-CD1 3.63Å; F76-F120 HydrophobicContact CD1-CE1 4.29Å; F76-F120 AromaticContact CD1-CG 3.79Å; F76-F120 HydrophobicContact CD1-CG 3.79Å; F76-F120 HydrophobicContact CE1-CD1 4.04Å; H80-F120 HydrophobicContact CB-CE2 4.2Å; H80-F120 HydrophobicContact CB-CZ 4.19Å; H80-F120 AromaticContact CD2-CE2 3.72Å; H80-F120 AromaticContact CG-CE2 3.82Å; H80-F120 AromaticContact CG-CZ 3.77Å; H80-F120 AromaticContact ND1-CZ 3.77Å; I118-F120 HydrophobicContact CG2-CE1 4.15Å; I118-F120 HydrophobicContact CG2-CZ 4.23Å
121S83.5Confident78.6Confident38 Ų3879.4 Ų79.427%0.26639%0.388SS..  trans-142.9152.8168.8-157.90000110.5I13 L14 G15 S125I13-S121 PolarHBondContact O-N 2.86Å; L14-S121 CarbonylContact C-O 3.58Å; L14-S121 WeakPolarHBondContact CA-O 3.48Å; G15-S121 PolarHBondContact N-O 2.91Å; S121-S125 WeakPolarHBondContact OG-CB 3.49Å; S121-S125 PolarHBondContact OG-OG 3.32Å
122K73.4Confident76.8Confident166 Ų16682.1 Ų82.172%0.72239%0.393SS*.  trans-66.3141.2172.9-63.9-175.6179-177.70109S124 S125K122-S124 PolarHBondContact O-N 3.02Å; K122-S124 VanDerWaalsContact O-N 3.08Å; K122-S125 WeakPolarHBondContact O-CB 3.49Å; K122-S125 PolarHBondContact O-N 3.18Å
123A65.1Low74.9Confident31 Ų3186.4 Ų86.426%0.25641%0.409SS..THydrogen-bonded Turntrans-55.9-26.417600000112.8S125 F128A123-S125 PolarHBondContact O-N 3.29Å; A123-F128 VanDerWaalsContact O-CB 3.28Å; A123-F128 WeakPolarHBondContact O-CB 3.42Å; A123-F128 WeakPolarHBondContact O-CD1 3.43Å; A123-F128 WeakPolarHBondContact O-CG 3.29Å
124S62.2Low73.6Confident105 Ų10587.6 Ų87.673%0.73441%0.411SS*.THydrogen-bonded Turntrans-76.2-3176.257.50000114.8K122K122-S124 PolarHBondContact O-N 3.02Å; K122-S124 VanDerWaalsContact O-N 3.08Å
125S63.4Low72.2Confident37 Ų3788.7 Ų88.726%0.25943%0.427SS..SBendtrans-66138.6179.6177.70000111.5S121 K122 A123 R127 F128S121-S125 WeakPolarHBondContact OG-CB 3.49Å; S121-S125 PolarHBondContact OG-OG 3.32Å; K122-S125 WeakPolarHBondContact O-CB 3.49Å; K122-S125 PolarHBondContact O-N 3.18Å; A123-S125 PolarHBondContact O-N 3.29Å; S125-R127 PolarHBondContact O-N 2.92Å; S125-R127 PolarHBondContact OG-N 3.47Å; S125-F128 WeakPolarHBondContact O-CB 3.37Å; S125-F128 PolarHBondContact O-N 3.01Å
126K63.4Low70.7Confident180 Ų18084.5 Ų84.578%0.78342%0.415SS*.Hα-helixtrans-50.3-27.7173.4-67.8-177.5179.2-1800112.7R130K126-R130 PolarHBondContact O-N 2.85Å
127R59.3Low69.2Low123 Ų12386.7 Ų86.746%0.46443%0.428SS..Hα-helixtrans-69.9-34.7177.4-159.8-175.2-84.4-158-6.4112.5E10 L12 S125 R130 S131E10-R127 IonicContact OE1-NH1 3.97Å; E10-R127 PolarHBondContact OE1-NH1 3.26Å; E10-R127 VanDerWaalsContact OE1-NH1 3.13Å; L12-R127 HydrophobicContact CD2-CG 4.13Å; S125-R127 PolarHBondContact O-N 2.92Å; S125-R127 PolarHBondContact OG-N 3.47Å; R127-R130 PolarHBondContact O-N 3.16Å; R127-S131 PolarHBondContact O-N 3.08Å; R127-S131 VanDerWaalsContact O-N 3.16Å
128F57.9Low67.9Low22 Ų2286.2 Ų86.210%0.09643%0.43CS..Hα-helixtrans-64.8-43.5174.3172.1-98.3000111.5L14 Q20 A123 S125 R130 S131 R132L14-F128 HydrophobicContact CB-CD2 3.64Å; L14-F128 HydrophobicContact CB-CE2 4.2Å; L14-F128 HydrophobicContact CD1-CB 4.18Å; L14-F128 HydrophobicContact CD1-CD2 3.5Å; L14-F128 VanDerWaalsContact CD1-CD2 3.5Å; L14-F128 HydrophobicContact CD1-CE2 4.39Å; L14-F128 HydrophobicContact CD1-CG 4.3Å; L14-F128 HydrophobicContact CD2-CB 4.21Å; L14-F128 HydrophobicContact CD2-CD2 4.46Å; L14-F128 HydrophobicContact CG-CD2 4.01Å; Q20-F128 HydrophobicContact CG-CE2 4.44Å; A123-F128 VanDerWaalsContact O-CB 3.28Å; A123-F128 WeakPolarHBondContact O-CB 3.42Å; A123-F128 WeakPolarHBondContact O-CD1 3.43Å; A123-F128 WeakPolarHBondContact O-CG 3.29Å; S125-F128 WeakPolarHBondContact O-CB 3.37Å; S125-F128 PolarHBondContact O-N 3.01Å; F128-R130 PolarHBondContact O-N 3.29Å; F128-S131 PolarHBondContact O-N 3.01Å; F128-R132 PolarHBondContact O-N 2.75Å
129M58Low66.9Low112 Ų11293.8 Ų93.855%0.55246%0.46SS*.Hα-helixtrans-57.9-35.4177.1-67.4-73.6106.100112.2
130R60.2Low66Low206 Ų20694.3 Ų94.378%0.77747%0.469SS*.Hα-helixtrans-74.1-35.2175.6-67.5-178.4-179.3175.6-1.6113.3K126 R127 F128 R132 H133K126-R130 PolarHBondContact O-N 2.85Å; R127-R130 PolarHBondContact O-N 3.16Å; F128-R130 PolarHBondContact O-N 3.29Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 2.96Å; R130-H133 PolarHBondContact O-N 3.4Å
131S59.9Low65.2Low52 Ų5295.2 Ų95.236%0.36448%0.475SS..Hα-helixtrans-69.6-25.1-178.6178.90000113.3R127 F128 H133 N134R127-S131 PolarHBondContact O-N 3.08Å; R127-S131 VanDerWaalsContact O-N 3.16Å; F128-S131 PolarHBondContact O-N 3.01Å; S131-H133 PolarHBondContact O-N 3.42Å; S131-N134 WeakPolarHBondContact O-CB 3.31Å; S131-N134 PolarHBondContact O-N 3.37Å
132R54.4Low64.9Low98 Ų9899.6 Ų99.637%0.3749%0.489SS..THydrogen-bonded Turntrans-59.8-26.3176.2-96.6-169.3164-173.7-5.2113.4F128 R130 N134 T137F128-R132 PolarHBondContact O-N 2.75Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 2.96Å; R132-N134 PolarHBondContact O-N 3.09Å; R132-T137 HydrophobicContact CG-CG2 4.35Å
133H54.6Low65.2Low153 Ų15394.2 Ų94.271%0.70847%0.47SS*.THydrogen-bonded Turntrans-79.813174.6-77.66.6000114.1R130 S131 E138R130-H133 PolarHBondContact O-N 3.4Å; S131-H133 PolarHBondContact O-N 3.42Å; H133-E138 IonicContact ND1-OE1 3.99Å; H133-E138 PolarHBondContact ND1-OE1 3.01Å
134N67Low65.6Low80 Ų8098.1 Ų98.143%0.42849%0.486SS..SBendtrans-72.1131.3165.5-169.2-6.2000109.1S131 R132 T136 T137 E138S131-N134 WeakPolarHBondContact O-CB 3.31Å; S131-N134 PolarHBondContact O-N 3.37Å; R132-N134 PolarHBondContact O-N 3.09Å; N134-T136 PolarHBondContact O-N 2.93Å; N134-T137 PolarHBondContact O-N 3.08Å; N134-E138 PolarHBondContact O-N 2.93Å; N134-E138 VanDerWaalsContact O-N 3.16Å
135A65Low66.3Low76 Ų7699 Ų9963%0.62848%0.479SS*.Hα-helixtrans-50.5-33.2-176.300000113.3Y139A135-Y139 WeakPolarHBondContact O-CB 3.24Å; A135-Y139 PolarHBondContact O-N 3.22Å
136T65.8Low67.1Low67 Ų67104.2 Ų104.241%0.41150%0.497SS..Hα-helixtrans-67.6-39.5177.1-46.40000112.7N134 L140N134-T136 PolarHBondContact O-N 2.93Å; T136-L140 PolarHBondContact O-N 2.76Å; T136-L140 VanDerWaalsContact O-N 3.08Å
137T65.5Low67.6Low48 Ų48100.7 Ų100.729%0.29449%0.49SS..Hα-helixtrans-71.7-41.2178.5-48.50000110.7R132 N134 L140 L141R132-T137 HydrophobicContact CG-CG2 4.35Å; N134-T137 PolarHBondContact O-N 3.08Å; T137-L140 PolarHBondContact O-N 2.9Å; T137-L141 HydrophobicContact CG2-CD1 4.1Å; T137-L141 HydrophobicContact CG2-CG 4.47Å; T137-L141 WeakPolarHBondContact O-CB 3.36Å; T137-L141 VanDerWaalsContact O-CG 3.29Å; T137-L141 WeakPolarHBondContact O-CG 3.43Å; T137-L141 PolarHBondContact O-N 2.96Å
138E69.7Low67.6Low87 Ų8797.7 Ų97.741%0.40750%0.498SS..Hα-helixtrans-59.9-44.4173.1-70.9-68.815700111.6H133 N134 L140 L141 K142H133-E138 IonicContact ND1-OE1 3.99Å; H133-E138 PolarHBondContact ND1-OE1 3.01Å; N134-E138 PolarHBondContact O-N 2.93Å; N134-E138 VanDerWaalsContact O-N 3.16Å; E138-L140 PolarHBondContact O-N 3.25Å; E138-L141 PolarHBondContact O-N 2.69Å; E138-K142 VanDerWaalsContact O-CB 3.25Å; E138-K142 WeakPolarHBondContact O-CB 3.3Å; E138-K142 PolarHBondContact O-N 3.3Å
139Y74.6Confident67.8Low162 Ų162104 Ų10464%0.63553%0.528SS*.Hα-helixtrans-60.8-45.4176177.8-95.1000112.3A135 T143A135-Y139 WeakPolarHBondContact O-CB 3.24Å; A135-Y139 PolarHBondContact O-N 3.22Å; Y139-T143 WeakPolarHBondContact O-CB 3.47Å; Y139-T143 PolarHBondContact O-N 3.28Å; Y139-T143 PolarHBondContact O-OG1 3.21Å
140L72Confident67.4Low100 Ų100101.9 Ų101.952%0.52453%0.534SS..Hα-helixtrans-64.4-45.9178.1-96167.9000111.9T136 T137 E138 T143 L144T136-L140 PolarHBondContact O-N 2.76Å; T136-L140 VanDerWaalsContact O-N 3.08Å; T137-L140 PolarHBondContact O-N 2.9Å; E138-L140 PolarHBondContact O-N 3.25Å; L140-T143 PolarHBondContact O-N 3.32Å; L140-L144 VanDerWaalsContact O-CG 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.2Å; L140-L144 PolarHBondContact O-N 3.19Å
141L73.7Confident66.9Low57 Ų5797.4 Ų97.430%0.29854%0.535SS..Hα-helixtrans-60.8-47178-72170.8000111.2T137 E138 T143 L144 E145T137-L141 HydrophobicContact CG2-CD1 4.1Å; T137-L141 HydrophobicContact CG2-CG 4.47Å; T137-L141 WeakPolarHBondContact O-CB 3.36Å; T137-L141 VanDerWaalsContact O-CG 3.29Å; T137-L141 WeakPolarHBondContact O-CG 3.43Å; T137-L141 PolarHBondContact O-N 2.96Å; E138-L141 PolarHBondContact O-N 2.69Å; L141-T143 VanDerWaalsContact C-N 3.28Å; L141-T143 PolarHBondContact O-N 3.46Å; L141-L144 PolarHBondContact O-N 3.35Å; L141-E145 WeakPolarHBondContact O-CG 3.48Å; L141-E145 PolarHBondContact O-N 3.47Å
142K77.8Confident66.1Low130 Ų130103.7 Ų103.757%0.56556%0.555SS**Hα-helixtrans-62.8-34.2176.8-170.7173.8-173.6172.70113E138 K146E138-K142 VanDerWaalsContact O-CB 3.25Å; E138-K142 WeakPolarHBondContact O-CB 3.3Å; E138-K142 PolarHBondContact O-N 3.3Å; K142-K146 WeakPolarHBondContact O-CG 3.27Å; K142-K146 PolarHBondContact O-N 3.29Å
143T78.8Confident65.5Low53 Ų53107.4 Ų107.433%0.32558%0.577SS.*Hα-helixtrans-70-42.4175.7-56.40000110.7Y139 L140 L141 K146 V147Y139-T143 WeakPolarHBondContact O-CB 3.47Å; Y139-T143 PolarHBondContact O-N 3.28Å; Y139-T143 PolarHBondContact O-OG1 3.21Å; L140-T143 PolarHBondContact O-N 3.32Å; L141-T143 VanDerWaalsContact C-N 3.28Å; L141-T143 PolarHBondContact O-N 3.46Å; T143-K146 PolarHBondContact O-N 3.45Å; T143-V147 WeakPolarHBondContact O-CG2 3.36Å; T143-V147 PolarHBondContact O-N 3.16Å; T143-V147 VanDerWaalsContact O-N 3.16Å
144L75.2Confident64.7Low112 Ų112105.1 Ų105.159%0.58658%0.578SS**Hα-helixtrans-66.2-37.7177.4-69.3171.6000112.3L140 L141 V147 G148L140-L144 VanDerWaalsContact O-CG 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.2Å; L140-L144 PolarHBondContact O-N 3.19Å; L141-L144 PolarHBondContact O-N 3.35Å; L144-V147 PolarHBondContact O-N 3.44Å; L144-G148 PolarHBondContact O-N 3.43Å; L144-G148 VanDerWaalsContact O-N 3.12Å
145E77.2Confident63Low125 Ų125111.5 Ų111.558%0.58460%0.596SS**Hα-helixtrans-59.7-45.9173.1-75.7172.2177.100111.4L141 V147 G148 E149L141-E145 WeakPolarHBondContact O-CG 3.48Å; L141-E145 PolarHBondContact O-N 3.47Å; E145-V147 VanDerWaalsContact C-N 3.29Å; E145-V147 PolarHBondContact O-N 3.2Å; E145-G148 PolarHBondContact O-N 3.02Å; E145-G148 VanDerWaalsContact O-N 3.13Å; E145-E149 WeakPolarHBondContact O-CG 3.42Å; E145-E149 PolarHBondContact O-N 3.38Å; E145-E149 VanDerWaalsContact O-N 3.13Å
146K78.6Confident61.7Low145 Ų145113.4 Ų113.463%0.6360%0.602SS**Hα-helixtrans-62.5-32.7176.4-75.4-177.4176.1-1700113.9K142 T143K142-K146 WeakPolarHBondContact O-CG 3.27Å; K142-K146 PolarHBondContact O-N 3.29Å; T143-K146 PolarHBondContact O-N 3.45Å
147V74.3Confident60.2Low106 Ų106117.3 Ų117.364%0.64262%0.616SS**Hα-helixtrans-72.6-33.2176.8174.80000111.1T143 L144 E145T143-V147 WeakPolarHBondContact O-CG2 3.36Å; T143-V147 PolarHBondContact O-N 3.16Å; T143-V147 VanDerWaalsContact O-N 3.16Å; L144-V147 PolarHBondContact O-N 3.44Å; E145-V147 VanDerWaalsContact C-N 3.29Å; E145-V147 PolarHBondContact O-N 3.2Å
148G59.8Low58.7Low61 Ų61120.2 Ų120.263%0.62964%0.635SS**Hα-helixtrans-72.9-29.8176.700000114.4L144 E145L144-G148 PolarHBondContact O-N 3.43Å; L144-G148 VanDerWaalsContact O-N 3.12Å; E145-G148 PolarHBondContact O-N 3.02Å; E145-G148 VanDerWaalsContact O-N 3.13Å
149E61.4Low57.3Low155 Ų155126 Ų12672%0.72466%0.659SS**Hα-helixtrans-86.7-16.3-175.5-69.4179.6164.700114E145 S151E145-E149 WeakPolarHBondContact O-CG 3.42Å; E145-E149 PolarHBondContact O-N 3.38Å; E145-E149 VanDerWaalsContact O-N 3.13Å; E149-S151 VanDerWaalsContact C-N 3.26Å; E149-S151 PolarHBondContact O-N 3.43Å; E149-S151 VanDerWaalsContact O-N 3.15Å
150G50.3Low55.5Low67 Ų67123.7 Ų123.769%0.69166%0.664SS**THydrogen-bonded Turntrans-74.53-176.500000117.1
151S50.5Low54.1Low112 Ų112125.9 Ų125.978%0.78368%0.682SS**THydrogen-bonded Turntrans-100.910.5-176.8-71.50000115.3E149E149-S151 VanDerWaalsContact C-N 3.26Å; E149-S151 PolarHBondContact O-N 3.43Å; E149-S151 VanDerWaalsContact O-N 3.15Å
152K42.4Very low52.7Low183 Ų183132.2 Ų132.280%0.79671%0.707SS**SBendtrans-143.892.2174.7-65.7-177.8-177.71780110.2
153E41.6Very low50.9Low177 Ų177134.2 Ų134.283%0.82772%0.718SS**  trans177.6121.7136.5-145.580.5-147.800110.5
154S37.3Very low49Very low105 Ų105137 Ų13773%0.73474%0.737SS**  trans62.5105.6146.660.60000122.3
155R31.3Very low47.1Very low214 Ų214138.8 Ų138.881%0.80875%0.747SS**  trans-83.8140.9143.6-178.6-178.3175.7-177.5-3.9108.2E157R155-E157 IonicContact NH2-OE1 3.77Å
156P37.3Very low45.4Very low115 Ų115137.8 Ų137.875%0.74776%0.76SS**  -145135.9119.926.9-6.6000115.9
157E34.4Very low43.4Very low150 Ų150139.4 Ų139.470%0.70177%0.769SS**  trans21134.8145.5-69.1-87.8118.800122.7R155R155-E157 IonicContact NH2-OE1 3.77Å
158P34.3Very low41.7Very low109 Ų109142.7 Ų142.771%0.70878%0.778SS**  trans-107.3151.6171.838.4-28.4000113.9
159K40.3Very low40.7Very low207 Ų207147.6 Ų147.690%0.978%0.784SS**  trans179.3162.6145.5-105.4175.6-170.2-178.70113.3
160P37.5Very low39.8Very low114 Ų114146.4 Ų146.474%0.7479%0.787SS**  -128.3176.5-114.737.5-17.8000114.9
161T42.3Very low39.3Very low146 Ų146148.8 Ų148.890%0.89679%0.791SS**  trans-143.1148.4169.9-60.20000111.5
162K45.1Very low38.4Very low190 Ų190146.6 Ų146.683%0.82679%0.786SS**  trans-94147.5-155-59.3166.8172.3178.70114
163E39.7Very low38.3Very low173 Ų173146.2 Ų146.281%0.80879%0.791SS**  trans25.5166.4133.5-89.3175.316400123.3
164P38.5Very low38Very low111 Ų111143.4 Ų143.472%0.72179%0.786SS**  cis-142176.81.625.90.6000118.7
165L34.9Very low38.1Very low150 Ų150147.9 Ų147.979%0.78579%0.792SS**  trans-11.3144.4162.5-86.675.7000123
166A41.9Very low38.3Very low104 Ų104141.8 Ų141.886%0.8679%0.788SS**  -163.1136.1124.800000112.3
167E37.3Very low38.4Very low178 Ų178145.1 Ų145.183%0.83279%0.794SS**  trans-84.3150-179.8-62.6166.3127.100112.8
168E38.1Very low38.6Very low175 Ų175145.2 Ų145.282%0.81879%0.794SS**  trans-173117.4131.6-125.817212700114.8
169Q38.4Very low38.6Very low164 Ų164150 Ų15077%0.76680%0.798SS**  trans35.5113.7133.9-58.8-174.128.800123.1
170V43.3Very low38.6Very low130 Ų130147.7 Ų147.779%0.78879%0.79SS**  73.7162.797.7-1320000117.1
171P38.1Very low38.5Very low117 Ų117152.2 Ų152.276%0.7679%0.792SS**  -129.4174.1-98.243.4-26000117.4
172G32.4Very low38Very low67 Ų67155.5 Ų155.569%0.69179%0.788SS**  trans90.6126140.700000118.9
173I40.9Very low37.4Very low175 Ų175153.4 Ų153.490%0.89779%0.786SS**  trans-166.7142.2142.1-91.3145.2000110
174T34.9Very low37.2Very low118 Ų118149.3 Ų149.372%0.72478%0.777SS**  trans-78.9160.7-172.137.50000117.6
175K38.3Very low36.8Very low198 Ų198150.7 Ų150.786%0.86178%0.778SS**  trans88.6125.8134.9-91.1174.3180178.10121.6
176A37Very low36.9Very low87 Ų87150.9 Ų150.972%0.71978%0.778SS**  trans85.5118.2133.100000120.1
177E38.4Very low36.4Very low185 Ų185151.8 Ų151.886%0.86478%0.777SS**  166.7107.1121.4-93.8178.3131.600109.4
178Q38.6Very low36.2Very low151 Ų151147.4 Ų147.471%0.70677%0.771SS**  72.511284.2-127.9-177.89.300116.2
179R34.8Very low36.1Very low210 Ų210145 Ų14579%0.79277%0.771SS**  trans65.1114.9144.8-82.8172168.1177.8-3.6119.5
180Q39.4Very low36.2Very low159 Ų159146.9 Ų146.974%0.74378%0.777SS**  164.2141.5103.7-105.9172.1-26.600114.3
181R36.1Very low35.8Very low208 Ų208146.6 Ų146.679%0.78578%0.775SS**  trans78.4112148.6-68.6169.2-175.9-151.71.4117.5
182R32.5Very low35.8Very low215 Ų215146.8 Ų146.881%0.81178%0.776SS**  90.9116.774.5-121.7-171.5-153.8177.45.1111.2
183N32.5Very low36.1Very low146 Ų146149.8 Ų149.878%0.78178%0.781SS**  trans64.2145.5151.2-62.22.4000115.6
184S34.2Very low35.7Very low88 Ų88148 Ų14862%0.61577%0.773SS**  cis-172.8162.62.845.40000106.5
185D31.4Very low35.6Very low139 Ų139148.4 Ų148.474%0.74377%0.765SS**  trans73.4153.6151-50.8-43000121.2
186I37.2Very low35.3Very low154 Ų154146.1 Ų146.179%0.7976%0.761SS**  trans9577.4156.7-47166.1000115.6A188I186-A188 PolarHBondContact O-N 3.25Å
187C30.2Very low35.2Very low123 Ų123150.4 Ų150.483%0.83177%0.766SS**  21.697.2116.1-152.40000115.7
188A32.9Very low35.2Very low86 Ų86147.1 Ų147.171%0.71175%0.752SS**PPolyproline II helixtrans-96.6124.216400000109.1I186 K190I186-A188 PolarHBondContact O-N 3.25Å; A188-K190 PolarHBondContact O-N 3.34Å
189P36.3Very low35.7Very low124 Ų124146.8 Ų146.881%0.80575%0.751SS**PPolyproline II helixtrans-70.4121172.328.4-29.3000108.6T191P189-T191 PolarHBondContact O-N 3.42Å
190K39.8Very low36.3Very low205 Ų205144 Ų14489%0.89175%0.747SS**PPolyproline II helixtrans-59.8130.7174.9-72.5174.2-179.2170.80109.6A188A188-K190 PolarHBondContact O-N 3.34Å
191T36.5Very low36.9Very low124 Ų124141 Ų14176%0.76174%0.735SS**  trans-35.6138178.2-33.80000114P189 V193P189-T191 PolarHBondContact O-N 3.42Å; T191-V193 PolarHBondContact O-N 3.13Å
192P37.2Very low37.4Very low120 Ų120133.7 Ų133.778%0.77971%0.71SS**  trans-63.6124.3173.926.5-32.3000109.7L194P192-L194 PolarHBondContact O-N 3.15Å
193V39Very low38.2Very low130 Ų130130.4 Ų130.479%0.78870%0.698SS**  trans-55.8119.3174.6-1790000108.9T191 F195T191-V193 PolarHBondContact O-N 3.13Å; V193-F195 PolarHBondContact O-N 3.07Å
194L32.5Very low39Very low138 Ų138126.9 Ų126.972%0.72368%0.684SS**  trans-70.1113.1178.2-149.3157000107.6P192 L196P192-L194 PolarHBondContact O-N 3.15Å; L194-L196 HydrophobicContact CD2-CD1 3.85Å; L194-L196 HydrophobicContact CD2-CG 3.96Å; L194-L196 PolarHBondContact O-N 2.99Å
195F32.2Very low39.9Very low127 Ų127123 Ų12356%0.55766%0.656SS**  trans-71.295.9-179.4-109.2-101.1000109.7V193V193-F195 PolarHBondContact O-N 3.07Å
196L33.5Very low41.1Very low150 Ų150121.5 Ų121.579%0.78565%0.647SS**  trans-123.866.6167.8-85.9166.9000108.4L194L194-L196 HydrophobicContact CD2-CD1 3.85Å; L194-L196 HydrophobicContact CD2-CG 3.96Å; L194-L196 PolarHBondContact O-N 2.99Å
197E34Very low42Very low177 Ų177120.9 Ų120.983%0.82764%0.639SS**  trans-168.288.4161.6-111.5165.7-173.400108.1E199E197-E199 PolarHBondContact O-N 2.96Å
198M37.6Very low43.4Very low116 Ų116120.5 Ų120.557%0.57163%0.625SS**  trans-84.3103.6171.4-97.7178.566.500108.6E202M198-E202 HydrophobicContact CE-CB 4.5Å
199E50.7Low44.8Very low144 Ų144118 Ų11867%0.67360%0.6SS**  trans-64.3149165.3-85.8-174.1138.700111E197 D201 E202E197-E199 PolarHBondContact O-N 2.96Å; E199-D201 PolarHBondContact O-N 3.47Å; E199-E202 PolarHBondContact O-N 3.29Å; E199-E202 VanDerWaalsContact O-N 3.16Å
200E47.3Very low46.2Very low152 Ų152117.5 Ų117.571%0.7159%0.585SS**THydrogen-bonded Turntrans-57.8-22.6-171.3-64.6-176144.100114.7E202 R203E200-E202 VanDerWaalsContact C-N 3.25Å; E200-E202 PolarHBondContact O-N 2.91Å; E200-R203 PolarHBondContact O-N 3.25Å
201D50.5Low47.5Very low94 Ų94111.4 Ų111.450%0.50357%0.565SS.*Hα-helixtrans-66-25.7-179.5-158.227.5000112.8E199 R203 C204E199-D201 PolarHBondContact O-N 3.47Å; D201-R203 VanDerWaalsContact C-N 3.33Å; D201-R203 PolarHBondContact O-N 3.01Å; D201-C204 PolarHBondContact O-N 3.22Å
202E46.7Very low49Very low55 Ų55106.9 Ų106.926%0.25754%0.542SS..Hα-helixtrans-74.4-21.2178.1-67-172.6179.400113.2K50 M198 E199 E200 C204 V205K50-E202 IonicContact NZ-OE1 3.85Å; K50-E202 PolarHBondContact NZ-OE1 3Å; M198-E202 HydrophobicContact CE-CB 4.5Å; E199-E202 PolarHBondContact O-N 3.29Å; E199-E202 VanDerWaalsContact O-N 3.16Å; E200-E202 VanDerWaalsContact C-N 3.25Å; E200-E202 PolarHBondContact O-N 2.91Å; E202-C204 VanDerWaalsContact C-N 3.32Å; E202-C204 PolarHBondContact O-N 2.85Å; E202-V205 PolarHBondContact O-N 2.75Å
203R49.2Very low50.4Low146 Ų146106.6 Ų106.655%0.55153%0.527SS*.Hα-helixtrans-66.6-36.3175.4-63.4-172.7-150.4-170.210.9111.4E200 D201 V205 I206 F207E200-R203 PolarHBondContact O-N 3.25Å; D201-R203 VanDerWaalsContact C-N 3.33Å; D201-R203 PolarHBondContact O-N 3.01Å; R203-V205 VanDerWaalsContact C-N 3.29Å; R203-V205 PolarHBondContact O-N 2.96Å; R203-I206 PolarHBondContact O-N 2.82Å; R203-F207 WeakPolarHBondContact O-CD2 3.36Å; R203-F207 PolarHBondContact O-N 3.44Å
204C50.8Low52Low72 Ų72103 Ų10349%0.48650%0.503SS..Hα-helixtrans-64.9-33.6178.7-73.30000112.2Y69 D201 E202 F207 H208Y69-C204 WeakPolarHBondContact OH-CB 3.26Å; D201-C204 PolarHBondContact O-N 3.22Å; E202-C204 VanDerWaalsContact C-N 3.32Å; E202-C204 PolarHBondContact O-N 2.85Å; C204-F207 PolarHBondContact O-N 3.2Å; C204-H208 PolarHBondContact O-N 3.47Å
205V51.9Low54Low6 Ų6103.5 Ų103.54%0.03650%0.502CS..Hα-helixtrans-66.4-47.1179.6-164.50000111.1Y18 Y69 E202 R203 F207 H208 D209Y18-V205 HydrophobicContact CD2-CG1 3.78Å; Y18-V205 HydrophobicContact CE2-CG1 3.74Å; Y69-V205 HydrophobicContact CD2-CB 4.14Å; Y69-V205 HydrophobicContact CD2-CG1 3.86Å; Y69-V205 HydrophobicContact CD2-CG2 3.49Å; Y69-V205 VanDerWaalsContact CD2-CG2 3.49Å; Y69-V205 HydrophobicContact CE2-CB 3.77Å; Y69-V205 HydrophobicContact CE2-CG1 3.95Å; Y69-V205 HydrophobicContact CE2-CG2 3.16Å; E202-V205 PolarHBondContact O-N 2.75Å; R203-V205 VanDerWaalsContact C-N 3.29Å; R203-V205 PolarHBondContact O-N 2.96Å; V205-F207 VanDerWaalsContact C-N 3.3Å; V205-F207 PolarHBondContact O-N 3.46Å; V205-H208 PolarHBondContact O-N 3.47Å; V205-D209 PolarHBondContact O-N 2.85Å
206I57Low56Low108 Ų108102 Ų10255%0.55450%0.503SS*.Hα-helixtrans-63.4-41.2-179.6-59.6173.6000109.9R203 F210R203-I206 PolarHBondContact O-N 2.82Å; I206-F210 VanDerWaalsContact O-CB 3.26Å; I206-F210 WeakPolarHBondContact O-CB 3.48Å; I206-F210 PolarHBondContact O-N 3.38Å
207F56.7Low58.2Low141 Ų14197.8 Ų97.862%0.61848%0.479SS*.Hα-helixtrans-63.5-43.3175.5-96.1-85000112.4R203 C204 V205 F210 V211R203-F207 WeakPolarHBondContact O-CD2 3.36Å; R203-F207 PolarHBondContact O-N 3.44Å; C204-F207 PolarHBondContact O-N 3.2Å; V205-F207 VanDerWaalsContact C-N 3.3Å; V205-F207 PolarHBondContact O-N 3.46Å; F207-F210 PolarHBondContact O-N 3.37Å; F207-V211 WeakPolarHBondContact O-CB 3.25Å; F207-V211 VanDerWaalsContact O-CG2 3.25Å; F207-V211 WeakPolarHBondContact O-CG2 3.45Å; F207-V211 PolarHBondContact O-N 3.41Å
208H59.6Low60.7Low115 Ų11596.5 Ų96.553%0.53247%0.468SS..Hα-helixtrans-66.5-41.1179.6-170.1-78.9000112.1C204 V205 F210 G212C204-H208 PolarHBondContact O-N 3.47Å; V205-H208 PolarHBondContact O-N 3.47Å; H208-F210 VanDerWaalsContact C-N 3.34Å; H208-G212 PolarHBondContact O-N 2.83Å
209D62.6Low62.7Low35 Ų3594.1 Ų94.119%0.18746%0.459CS..Hα-helixtrans-66.2-37.2174.2-79-46.9000111.8Y18 R21 V205 Y213Y18-D209 VanDerWaalsContact CB-OD2 3.31Å; Y18-D209 WeakPolarHBondContact CB-OD2 3.45Å; Y18-D209 WeakPolarHBondContact CD2-OD2 3.37Å; R21-D209 IonicContact CZ-OD1 3.13Å; R21-D209 IonicContact NH2-OD1 2.69Å; R21-D209 PolarHBondContact NH2-OD1 2.69Å; R21-D209 IonicContact NH2-OD2 2.75Å; R21-D209 PolarHBondContact NH2-OD2 3.33Å; V205-D209 PolarHBondContact O-N 2.85Å; D209-Y213 VanDerWaalsContact O-CB 3.27Å; D209-Y213 WeakPolarHBondContact O-CB 3.48Å; D209-Y213 PolarHBondContact O-N 3.11Å
210F65.7Low64.3Low112 Ų11290.5 Ų90.549%0.49145%0.447SS..Hα-helixtrans-67.2-44.9175.6-177.2-110.5000112.1I206 F207 H208 Y213 L214I206-F210 VanDerWaalsContact O-CB 3.26Å; I206-F210 WeakPolarHBondContact O-CB 3.48Å; I206-F210 PolarHBondContact O-N 3.38Å; F207-F210 PolarHBondContact O-N 3.37Å; H208-F210 VanDerWaalsContact C-N 3.34Å; F210-Y213 WeakPolarHBondContact O-CB 3.45Å; F210-Y213 PolarHBondContact O-N 3.27Å; F210-L214 HydrophobicContact CD1-CD1 3.89Å; F210-L214 HydrophobicContact CD1-CG 4.21Å; F210-L214 HydrophobicContact CE1-CD1 3.43Å; F210-L214 VanDerWaalsContact CE1-CD1 3.43Å; F210-L214 HydrophobicContact CE1-CD2 4.29Å; F210-L214 HydrophobicContact CE1-CG 3.89Å; F210-L214 HydrophobicContact CE2-CD2 4.23Å; F210-L214 HydrophobicContact CE2-CG 4.31Å; F210-L214 HydrophobicContact CZ-CD1 3.88Å; F210-L214 HydrophobicContact CZ-CD2 3.87Å; F210-L214 HydrophobicContact CZ-CG 3.94Å; F210-L214 WeakPolarHBondContact O-CG 3.4Å; F210-L214 PolarHBondContact O-N 3.24Å
211V67.3Low66.1Low78 Ų7886.3 Ų86.347%0.47343%0.429SS..Hα-helixtrans-63-43.5175.6172.30000110.5F207 Y213 L214 Q215F207-V211 WeakPolarHBondContact O-CB 3.25Å; F207-V211 VanDerWaalsContact O-CG2 3.25Å; F207-V211 WeakPolarHBondContact O-CG2 3.45Å; F207-V211 PolarHBondContact O-N 3.41Å; V211-Y213 VanDerWaalsContact C-N 3.3Å; V211-Y213 PolarHBondContact O-N 2.95Å; V211-L214 PolarHBondContact O-N 2.94Å; V211-Q215 WeakPolarHBondContact O-CB 3.29Å; V211-Q215 PolarHBondContact O-N 3.45Å
212G66.6Low67.8Low28 Ų2885.4 Ų85.429%0.28943%0.427SS..Hα-helixtrans-61.1-38.817400000112.6H208 T216H208-G212 PolarHBondContact O-N 2.83Å; G212-T216 WeakPolarHBondContact O-CB 3.48Å; G212-T216 PolarHBondContact O-N 2.89Å; G212-T216 PolarHBondContact O-OG1 3.27Å
213Y68.3Low69.9Low114 Ų11491.6 Ų91.645%0.44745%0.449SS..Hα-helixtrans-65.3-47.4173.7-178.5-92.6000111.9D209 F210 V211 Q215 T216 H217 L221D209-Y213 VanDerWaalsContact O-CB 3.27Å; D209-Y213 WeakPolarHBondContact O-CB 3.48Å; D209-Y213 PolarHBondContact O-N 3.11Å; F210-Y213 WeakPolarHBondContact O-CB 3.45Å; F210-Y213 PolarHBondContact O-N 3.27Å; V211-Y213 VanDerWaalsContact C-N 3.3Å; V211-Y213 PolarHBondContact O-N 2.95Å; Y213-Q215 VanDerWaalsContact C-N 3.29Å; Y213-Q215 PolarHBondContact O-N 2.73Å; Y213-T216 PolarHBondContact O-N 3.44Å; Y213-H217 AromaticContact CD2-CD2 3.43Å; Y213-H217 VanDerWaalsContact CD2-CD2 3.43Å; Y213-H217 WeakPolarHBondContact CD2-CD2 3.39Å; Y213-H217 HydrophobicContact CE1-CB 4.37Å; Y213-H217 AromaticContact CE2-CD2 3.36Å; Y213-H217 WeakPolarHBondContact CE2-CD2 3.28Å; Y213-H217 AromaticContact CE2-NE2 3.92Å; Y213-H217 AromaticContact CZ-CD2 3.96Å; Y213-H217 WeakPolarHBondContact O-CB 3.49Å; Y213-H217 PolarHBondContact O-N 2.84Å; Y213-L221 HydrophobicContact CE1-CD1 4.22Å
214L72.5Confident71.8Confident55 Ų5588.7 Ų88.729%0.28845%0.447SS..Hα-helixtrans-57.9-42.5176-73.1-176.7000111.5F210 V211 Y218 L221F210-L214 HydrophobicContact CD1-CD1 3.89Å; F210-L214 HydrophobicContact CD1-CG 4.21Å; F210-L214 HydrophobicContact CE1-CD1 3.43Å; F210-L214 VanDerWaalsContact CE1-CD1 3.43Å; F210-L214 HydrophobicContact CE1-CD2 4.29Å; F210-L214 HydrophobicContact CE1-CG 3.89Å; F210-L214 HydrophobicContact CE2-CD2 4.23Å; F210-L214 HydrophobicContact CE2-CG 4.31Å; F210-L214 HydrophobicContact CZ-CD1 3.88Å; F210-L214 HydrophobicContact CZ-CD2 3.87Å; F210-L214 HydrophobicContact CZ-CG 3.94Å; F210-L214 WeakPolarHBondContact O-CG 3.4Å; F210-L214 PolarHBondContact O-N 3.24Å; V211-L214 PolarHBondContact O-N 2.94Å; L214-Y218 VanDerWaalsContact O-CA 3.23Å; L214-Y218 WeakPolarHBondContact O-CA 3.33Å; L214-Y218 VanDerWaalsContact O-CB 3.28Å; L214-Y218 WeakPolarHBondContact O-CB 3.34Å; L214-Y218 PolarHBondContact O-N 3.42Å; L214-L221 HydrophobicContact CD2-CD1 3.46Å; L214-L221 VanDerWaalsContact CD2-CD1 3.46Å; L214-L221 HydrophobicContact CD2-CD2 3.39Å; L214-L221 HydrophobicContact CD2-CG 4.04Å
215Q73.2Confident73.6Confident149 Ų14988.7 Ų88.770%0.69644%0.444SS*.Hα-helixtrans-70.3-39.1179.4-170.9173.4-9.100112.1V211 Y213V211-Q215 WeakPolarHBondContact O-CB 3.29Å; V211-Q215 PolarHBondContact O-N 3.45Å; Y213-Q215 VanDerWaalsContact C-N 3.29Å; Y213-Q215 PolarHBondContact O-N 2.73Å
216T75.4Confident75.5Confident95 Ų9591.3 Ų91.358%0.58346%0.462SS*.Hα-helixtrans-73.8-35.1179.6-53.90000112G212 Y213G212-T216 WeakPolarHBondContact O-CB 3.48Å; G212-T216 PolarHBondContact O-N 2.89Å; G212-T216 PolarHBondContact O-OG1 3.27Å; Y213-T216 PolarHBondContact O-N 3.44Å
217H79.2Confident77.1Confident61 Ų6189.7 Ų89.728%0.28246%0.457SS..SBendtrans-115.325.7-173.2-62.9-74.3000113.4Y213 T219 V220 L221Y213-H217 AromaticContact CD2-CD2 3.43Å; Y213-H217 VanDerWaalsContact CD2-CD2 3.43Å; Y213-H217 WeakPolarHBondContact CD2-CD2 3.39Å; Y213-H217 HydrophobicContact CE1-CB 4.37Å; Y213-H217 AromaticContact CE2-CD2 3.36Å; Y213-H217 WeakPolarHBondContact CE2-CD2 3.28Å; Y213-H217 AromaticContact CE2-NE2 3.92Å; Y213-H217 AromaticContact CZ-CD2 3.96Å; Y213-H217 WeakPolarHBondContact O-CB 3.49Å; Y213-H217 PolarHBondContact O-N 2.84Å; H217-T219 PolarHBondContact O-N 3.04Å; H217-T219 VanDerWaalsContact O-N 3.12Å; H217-V220 HydrophobicContact CB-CB 4.35Å; H217-V220 HydrophobicContact CB-CG2 4.38Å; H217-V220 WeakPolarHBondContact O-CB 3.41Å; H217-V220 PolarHBondContact O-N 3.12Å; H217-L221 PolarHBondContact O-N 2.89Å
218Y85.5Confident78.8Confident151 Ų15186 Ų8659%0.59245%0.447SS*.Hα-helixtrans-56.4-33.5-178.780.4-86.9000112.1L214 L221 T222L214-Y218 VanDerWaalsContact O-CA 3.23Å; L214-Y218 WeakPolarHBondContact O-CA 3.33Å; L214-Y218 VanDerWaalsContact O-CB 3.28Å; L214-Y218 WeakPolarHBondContact O-CB 3.34Å; L214-Y218 PolarHBondContact O-N 3.42Å; Y218-L221 PolarHBondContact O-N 3.27Å; Y218-T222 WeakPolarHBondContact O-CB 3.46Å; Y218-T222 PolarHBondContact O-N 2.8Å; Y218-T222 PolarHBondContact O-OG1 3.41Å
219T80.8Confident80.3Confident65 Ų6584.9 Ų84.940%0.39944%0.444SS..Hα-helixtrans-62-45.917549.90000111.7H217 T222 W223H217-T219 PolarHBondContact O-N 3.04Å; H217-T219 VanDerWaalsContact O-N 3.12Å; T219-T222 WeakPolarHBondContact O-CB 3.23Å; T219-T222 PolarHBondContact O-N 2.96Å; T219-W223 PolarHBondContact O-N 3.2Å
220V83.2Confident81.6Confident69 Ų6987.4 Ų87.442%0.41846%0.46SS..Hα-helixtrans-64.6-44.2178.1-177.10000110.4H217 T222 W223 V224H217-V220 HydrophobicContact CB-CB 4.35Å; H217-V220 HydrophobicContact CB-CG2 4.38Å; H217-V220 WeakPolarHBondContact O-CB 3.41Å; H217-V220 PolarHBondContact O-N 3.12Å; V220-T222 VanDerWaalsContact C-N 3.31Å; V220-T222 PolarHBondContact O-N 2.94Å; V220-W223 PolarHBondContact O-N 2.91Å; V220-V224 HydrophobicContact CG1-CG2 4.49Å; V220-V224 WeakPolarHBondContact O-CG2 3.34Å; V220-V224 PolarHBondContact O-N 3.39Å
221L85.9Confident82.8Confident64 Ų6487.3 Ų87.334%0.33546%0.464SS..Hα-helixtrans-61-41.8174.7-96.6106.9000112.1Y213 L214 H217 Y218 W223 V224 V225Y213-L221 HydrophobicContact CE1-CD1 4.22Å; L214-L221 HydrophobicContact CD2-CD1 3.46Å; L214-L221 VanDerWaalsContact CD2-CD1 3.46Å; L214-L221 HydrophobicContact CD2-CD2 3.39Å; L214-L221 HydrophobicContact CD2-CG 4.04Å; H217-L221 PolarHBondContact O-N 2.89Å; Y218-L221 PolarHBondContact O-N 3.27Å; L221-W223 VanDerWaalsContact C-N 3.32Å; L221-W223 PolarHBondContact O-N 3.47Å; L221-V224 PolarHBondContact O-N 2.88Å; L221-V225 WeakPolarHBondContact O-CB 3.26Å; L221-V225 VanDerWaalsContact O-CG2 3.3Å; L221-V225 WeakPolarHBondContact O-CG2 3.46Å; L221-V225 PolarHBondContact O-N 2.89Å
222T86.2Confident84Confident75 Ų7588.9 Ų88.946%0.4647%0.469SS..Hα-helixtrans-60.2-45.2176.8-53.70000110.1Y218 T219 V220 V225 C226Y218-T222 WeakPolarHBondContact O-CB 3.46Å; Y218-T222 PolarHBondContact O-N 2.8Å; Y218-T222 PolarHBondContact O-OG1 3.41Å; T219-T222 WeakPolarHBondContact O-CB 3.23Å; T219-T222 PolarHBondContact O-N 2.96Å; V220-T222 VanDerWaalsContact C-N 3.31Å; V220-T222 PolarHBondContact O-N 2.94Å; T222-V225 PolarHBondContact O-N 3.37Å; T222-C226 WeakPolarHBondContact O-CB 3.39Å; T222-C226 PolarHBondContact O-N 2.9Å; T222-C226 PolarHBondContact O-SG 3.48Å
223W89.7Confident85.1Confident185 Ų18592.1 Ų92.170%0.70148%0.479SS*.Hα-helixtrans-61.2-44.8174.7-84.8103.6000112.8T219 V220 L221 V225 C226 V227T219-W223 PolarHBondContact O-N 3.2Å; V220-W223 PolarHBondContact O-N 2.91Å; L221-W223 VanDerWaalsContact C-N 3.32Å; L221-W223 PolarHBondContact O-N 3.47Å; W223-V225 PolarHBondContact O-N 2.84Å; W223-C226 PolarHBondContact O-N 3.42Å; W223-V227 WeakPolarHBondContact O-CB 3.3Å; W223-V227 VanDerWaalsContact O-CG2 3.24Å; W223-V227 WeakPolarHBondContact O-CG2 3.22Å; W223-V227 PolarHBondContact O-N 3.35Å
224V89.5Confident86.1Confident84 Ų8490.7 Ų90.751%0.50948%0.482SS..Hα-helixtrans-60.7-45.9177.11720000110.6V220 L221 V227 T228V220-V224 HydrophobicContact CG1-CG2 4.49Å; V220-V224 WeakPolarHBondContact O-CG2 3.34Å; V220-V224 PolarHBondContact O-N 3.39Å; L221-V224 PolarHBondContact O-N 2.88Å; V224-V227 PolarHBondContact O-N 2.85Å; V224-T228 HydrophobicContact CG1-CG2 4.45Å; V224-T228 VanDerWaalsContact O-CG2 3.3Å; V224-T228 WeakPolarHBondContact O-CG2 3.24Å; V224-T228 PolarHBondContact O-N 3.48Å; V224-T228 PolarHBondContact O-OG1 3.36Å; V224-T228 VanDerWaalsContact O-OG1 3.11Å
225V90Very high86.8Confident73 Ų7391.3 Ų91.344%0.44249%0.494SS..Hα-helixtrans-64.5-41.5176.8172.80000111.6L221 T222 W223 T228 L229L221-V225 WeakPolarHBondContact O-CB 3.26Å; L221-V225 VanDerWaalsContact O-CG2 3.3Å; L221-V225 WeakPolarHBondContact O-CG2 3.46Å; L221-V225 PolarHBondContact O-N 2.89Å; T222-V225 PolarHBondContact O-N 3.37Å; W223-V225 PolarHBondContact O-N 2.84Å; V225-T228 WeakPolarHBondContact CA-OG1 3.46Å; V225-T228 PolarHBondContact O-N 2.91Å; V225-T228 PolarHBondContact O-OG1 2.88Å; V225-L229 HydrophobicContact CG1-CD1 3.97Å; V225-L229 HydrophobicContact CG1-CG 4.37Å; V225-L229 WeakPolarHBondContact O-CB 3.4Å; V225-L229 VanDerWaalsContact O-CG 3.27Å; V225-L229 WeakPolarHBondContact O-CG 3.24Å; V225-L229 PolarHBondContact O-N 3.49Å
226C90.3Very high87.3Confident60 Ų6087.3 Ų87.341%0.40549%0.493SS..Hα-helixtrans-63.2-44.9175.6-73.20000111.4T222 W223 L229 V230T222-C226 WeakPolarHBondContact O-CB 3.39Å; T222-C226 PolarHBondContact O-N 2.9Å; T222-C226 PolarHBondContact O-SG 3.48Å; W223-C226 PolarHBondContact O-N 3.42Å; C226-L229 PolarHBondContact O-N 3.31Å; C226-V230 WeakPolarHBondContact O-CB 3.27Å; C226-V230 VanDerWaalsContact O-CG2 3.24Å; C226-V230 WeakPolarHBondContact O-CG2 3.3Å; C226-V230 PolarHBondContact O-N 2.8Å
227V91.5Very high87.5Confident75 Ų7593 Ų9346%0.45550%0.504SS..Hα-helixtrans-65.1-43.2178.31710000110.7W223 V224 V230 L231W223-V227 WeakPolarHBondContact O-CB 3.3Å; W223-V227 VanDerWaalsContact O-CG2 3.24Å; W223-V227 WeakPolarHBondContact O-CG2 3.22Å; W223-V227 PolarHBondContact O-N 3.35Å; V224-V227 PolarHBondContact O-N 2.85Å; V227-V230 PolarHBondContact O-N 3.11Å; V227-L231 HydrophobicContact CG1-CD1 4.07Å; V227-L231 HydrophobicContact CG1-CG 4.44Å; V227-L231 WeakPolarHBondContact O-CB 3.24Å; V227-L231 VanDerWaalsContact O-CG 3.26Å; V227-L231 WeakPolarHBondContact O-CG 3.41Å; V227-L231 PolarHBondContact O-N 3.24Å
228T91.2Very high86.6Confident64 Ų64101.7 Ų101.739%0.39354%0.541SS..Hα-helixtrans-65.9-40.717756.30000111.9V224 V225 L231 I232V224-T228 HydrophobicContact CG1-CG2 4.45Å; V224-T228 VanDerWaalsContact O-CG2 3.3Å; V224-T228 WeakPolarHBondContact O-CG2 3.24Å; V224-T228 PolarHBondContact O-N 3.48Å; V224-T228 PolarHBondContact O-OG1 3.36Å; V224-T228 VanDerWaalsContact O-OG1 3.11Å; V225-T228 WeakPolarHBondContact CA-OG1 3.46Å; V225-T228 PolarHBondContact O-N 2.91Å; V225-T228 PolarHBondContact O-OG1 2.88Å; T228-L231 PolarHBondContact O-N 3.28Å; T228-I232 WeakPolarHBondContact O-CD1 3.48Å; T228-I232 WeakPolarHBondContact O-CG1 3.25Å; T228-I232 PolarHBondContact O-N 2.89Å
229L91Very high86.7Confident91 Ų9199.2 Ų99.248%0.47654%0.538SS..Hα-helixtrans-62.7-42.8173.9-75.9174.4000112.1V225 C226 L231 I232 I233V225-L229 HydrophobicContact CG1-CD1 3.97Å; V225-L229 HydrophobicContact CG1-CG 4.37Å; V225-L229 WeakPolarHBondContact O-CB 3.4Å; V225-L229 VanDerWaalsContact O-CG 3.27Å; V225-L229 WeakPolarHBondContact O-CG 3.24Å; V225-L229 PolarHBondContact O-N 3.49Å; C226-L229 PolarHBondContact O-N 3.31Å; L229-L231 VanDerWaalsContact C-N 3.34Å; L229-L231 PolarHBondContact O-N 2.88Å; L229-I232 PolarHBondContact O-N 2.98Å; L229-I233 VanDerWaalsContact O-CG1 3.25Å; L229-I233 WeakPolarHBondContact O-CG1 3.21Å; L229-I233 PolarHBondContact O-N 3.28Å
230V90.6Very high87Confident88 Ų88101 Ų10153%0.53355%0.546SS..Hα-helixtrans-61.7-43.7174.8169.90000110.6C226 V227 I232 I233 V234C226-V230 WeakPolarHBondContact O-CB 3.27Å; C226-V230 VanDerWaalsContact O-CG2 3.24Å; C226-V230 WeakPolarHBondContact O-CG2 3.3Å; C226-V230 PolarHBondContact O-N 2.8Å; V227-V230 PolarHBondContact O-N 3.11Å; V230-I232 PolarHBondContact O-N 3.33Å; V230-I233 PolarHBondContact O-N 3.47Å; V230-V234 HydrophobicContact CG1-CG2 4.3Å; V230-V234 WeakPolarHBondContact O-CB 3.38Å; V230-V234 VanDerWaalsContact O-CG2 3.24Å; V230-V234 WeakPolarHBondContact O-CG2 3.34Å; V230-V234 PolarHBondContact O-N 3.46Å
231L91.1Very high87.2Confident110 Ų110102.8 Ų102.858%0.57655%0.553SS**Hα-helixtrans-62.1-40.8176-72.2172.6000112.1V227 T228 L229 V234 A235V227-L231 HydrophobicContact CG1-CD1 4.07Å; V227-L231 HydrophobicContact CG1-CG 4.44Å; V227-L231 WeakPolarHBondContact O-CB 3.24Å; V227-L231 VanDerWaalsContact O-CG 3.26Å; V227-L231 WeakPolarHBondContact O-CG 3.41Å; V227-L231 PolarHBondContact O-N 3.24Å; T228-L231 PolarHBondContact O-N 3.28Å; L229-L231 VanDerWaalsContact C-N 3.34Å; L229-L231 PolarHBondContact O-N 2.88Å; L231-V234 PolarHBondContact O-N 3.42Å; L231-A235 VanDerWaalsContact O-CB 3.22Å; L231-A235 WeakPolarHBondContact O-CB 3.33Å; L231-A235 PolarHBondContact O-N 2.9Å
232I91.5Very high87.3Confident110 Ų110105.1 Ų105.156%0.56457%0.565SS**Hα-helixtrans-64.8-44.6176.2-68.6163.1000110.9T228 L229 V230 A235 G236T228-I232 WeakPolarHBondContact O-CD1 3.48Å; T228-I232 WeakPolarHBondContact O-CG1 3.25Å; T228-I232 PolarHBondContact O-N 2.89Å; L229-I232 PolarHBondContact O-N 2.98Å; V230-I232 PolarHBondContact O-N 3.33Å; I232-A235 PolarHBondContact O-N 3.37Å; I232-G236 PolarHBondContact O-N 2.9Å
233I90.5Very high87.3Confident97 Ų97106.9 Ų106.950%0.49757%0.572SS.*Hα-helixtrans-65-40.5178.7-67.8164.9000111.1L229 V230 R237L229-I233 VanDerWaalsContact O-CG1 3.25Å; L229-I233 WeakPolarHBondContact O-CG1 3.21Å; L229-I233 PolarHBondContact O-N 3.28Å; V230-I233 PolarHBondContact O-N 3.47Å; I233-R237 PolarHBondContact O-N 3.35Å
234V89.2Confident87.2Confident84 Ų84101.7 Ų101.751%0.50956%0.563SS.*Hα-helixtrans-69.1-39177.2171.60000111.1V230 L231 R237V230-V234 HydrophobicContact CG1-CG2 4.3Å; V230-V234 WeakPolarHBondContact O-CB 3.38Å; V230-V234 VanDerWaalsContact O-CG2 3.24Å; V230-V234 WeakPolarHBondContact O-CG2 3.34Å; V230-V234 PolarHBondContact O-N 3.46Å; L231-V234 PolarHBondContact O-N 3.42Å; V234-R237 PolarHBondContact O-N 2.67Å
235A87.9Confident87Confident67 Ų67103 Ų10355%0.55457%0.567SS**Hα-helixtrans-68.5-35.8176.600000112.6L231 I232 R237L231-A235 VanDerWaalsContact O-CB 3.22Å; L231-A235 WeakPolarHBondContact O-CB 3.33Å; L231-A235 PolarHBondContact O-N 2.9Å; I232-A235 PolarHBondContact O-N 3.37Å; A235-R237 VanDerWaalsContact C-N 3.29Å; A235-R237 PolarHBondContact O-N 3.21Å
236G83.9Confident86.8Confident65 Ų65105.3 Ų105.367%0.6758%0.577SS**THydrogen-bonded Turntrans-78.2-4.5177.900000115.4I232I232-G236 PolarHBondContact O-N 2.9Å
237R78.3Confident86.5Confident215 Ų215109.1 Ų109.181%0.81159%0.591SS**THydrogen-bonded Turntrans-100.93175.9-82.3-173.7169.4170.9-1.4113.9I233 V234 A235I233-R237 PolarHBondContact O-N 3.35Å; V234-R237 PolarHBondContact O-N 2.67Å; A235-R237 VanDerWaalsContact C-N 3.29Å; A235-R237 PolarHBondContact O-N 3.21Å
238K61.2Low86Confident243 Ų243112.2 Ų112.2100%1.05760%0.604SS**  trans-98.30168.4-75-175176.7-178.40110

Retrieved 238 of 238 residues in 170.9 ms (Link to these results)

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