A0A077ZHY1_TRITR Loading...

UBX domain-containing protein 4

Involved in endoplasmic reticulum-associated protein degradation (ERAD). Acts as a platform to recruit both UBQLN1 and VCP to the ER during ERAD.

AlphaFold DB , UniProt , Accession A0A077ZHY1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 347 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
1M40.6Very low77.1Confident230 Ų23064.1 Ų64.1100%1.13333%0.331SS*.  01020-72.6-177.2-176.100105.5V3M1-V3 PolarHBondContact O-N 3.03Å
2D52.1Low78.4Confident161 Ų16158.8 Ų58.886%0.86130%0.304SS*.  trans-71120.3-178.5-54.2-67.1000108.5E4D2-E4 PolarHBondContact O-N 2.61Å
3V58Low79.3Confident86 Ų8654.4 Ų54.452%0.52128%0.282SS..  trans-79.6106.7-179.2-176.20000107.2M1 E5 N37M1-V3 PolarHBondContact O-N 3.03Å; V3-E5 VanDerWaalsContact C-N 3.27Å; V3-E5 HydrophobicContact CG1-CG 3.91Å; V3-E5 PolarHBondContact O-N 3.27Å; V3-N37 HydrophobicContact CG1-CB 4.05Å; V3-N37 VanDerWaalsContact CG1-ND2 3.29Å; V3-N37 WeakPolarHBondContact CG1-ND2 3.21Å
4E66.3Low79.7Confident99 Ų9954.5 Ų54.546%0.46330%0.303SS..  trans-68.185172.9-71.7-174.4179.200110.3D2D2-E4 PolarHBondContact O-N 2.61Å
5E74.6Confident80.1Confident69 Ų6961.2 Ų61.232%0.32234%0.338SS..  trans-78122.1172.7-65.2-175.4157.900110V3 S70 F272V3-E5 VanDerWaalsContact C-N 3.27Å; V3-E5 HydrophobicContact CG1-CG 3.91Å; V3-E5 PolarHBondContact O-N 3.27Å; E5-S70 WeakPolarHBondContact O-CA 3.37Å; E5-S70 WeakPolarHBondContact O-CB 3.08Å; E5-F272 WeakPolarHBondContact OE2-CE2 3.32Å
6K88Confident80.6Confident24 Ų2463.9 Ų63.910%0.10435%0.348CS..EExtended strand (participates in β ladder)trans-98.4156.5173.9-56.1177.7174.3174.20109.3N37 Y38 V39 I68 F94 V95 K97K6-N37 PolarHBondContact N-O 2.89Å; K6-Y38 CarbonylContact O-C 3.48Å; K6-Y38 WeakPolarHBondContact O-CA 3.41Å; K6-Y38 WeakPolarHBondContact O-CB 3.31Å; K6-V39 PolarHBondContact O-N 3.31Å; K6-I68 CarbonylContact C-O 3.59Å; K6-F94 HydrophobicContact CB-CE1 3.9Å; K6-F94 HydrophobicContact CB-CE2 3.78Å; K6-F94 HydrophobicContact CB-CZ 3.3Å; K6-F94 HydrophobicContact CD-CD2 4.47Å; K6-F94 HydrophobicContact CD-CE2 4.24Å; K6-F94 HydrophobicContact CD-CZ 4.31Å; K6-F94 WeakPolarHBondContact CD-O 3.32Å; K6-F94 HydrophobicContact CG-CZ 4.38Å; K6-F94 PolarHBondContact NZ-O 3.31Å; K6-V95 PolarHBondContact NZ-O 2.99Å; K6-K97 PolarHBondContact NZ-O 2.6Å
7A90.9Very high81.2Confident20 Ų2060.6 Ų60.617%0.16533%0.33CS..EExtended strand (participates in β ladder)trans-119.3140.7179.400000112.7V39 I68 F94A7-V39 CarbonylContact C-O 3.56Å; A7-V39 WeakPolarHBondContact CA-O 3.47Å; A7-I68 HydrophobicContact CB-CB 4.22Å; A7-I68 PolarHBondContact N-O 2.91Å; A7-I68 PolarHBondContact O-N 2.99Å; A7-F94 WeakPolarHBondContact O-CZ 3.3Å
8I93.3Very high81.7Confident5 Ų565.1 Ų65.13%0.02635%0.349CS..EExtended strand (participates in β ladder)trans-114.6117.5170.7-58.5179.2000106.5W24 L33 Y38 V39 A40 L41 T65 Y66 F67 F94I8-W24 HydrophobicContact CD1-CH2 4.11Å; I8-W24 HydrophobicContact CD1-CZ3 4.18Å; I8-W24 HydrophobicContact CG2-CH2 3.51Å; I8-W24 HydrophobicContact CG2-CZ2 3.87Å; I8-W24 HydrophobicContact CG2-CZ3 4.14Å; I8-L33 HydrophobicContact CD1-CD1 4.23Å; I8-L33 HydrophobicContact CD1-CD2 3.99Å; I8-Y38 HydrophobicContact CD1-CD2 3.84Å; I8-Y38 HydrophobicContact CD1-CE2 4.27Å; I8-Y38 HydrophobicContact CG1-CD2 4.23Å; I8-V39 PolarHBondContact N-O 3.34Å; I8-A40 CarbonylContact O-C 3.57Å; I8-A40 WeakPolarHBondContact O-CA 3.21Å; I8-L41 PolarHBondContact O-N 3.22Å; I8-T65 HydrophobicContact CG2-CG2 3.72Å; I8-Y66 WeakPolarHBondContact CA-O 3.47Å; I8-F67 HydrophobicContact CD1-CD1 4.41Å; I8-F67 HydrophobicContact CD1-CE1 4.17Å; I8-F67 HydrophobicContact CG1-CD1 4.13Å; I8-F67 HydrophobicContact CG1-CE1 4.3Å; I8-F67 HydrophobicContact CG2-CE1 4.41Å; I8-F94 HydrophobicContact CD1-CD1 4.12Å; I8-F94 HydrophobicContact CD1-CE1 3.73Å; I8-F94 HydrophobicContact CG1-CD1 4.16Å; I8-F94 HydrophobicContact CG1-CE1 3.42Å; I8-F94 VanDerWaalsContact CG1-CE1 3.42Å; I8-F94 HydrophobicContact CG1-CZ 3.75Å
9C94.4Very high82.1Confident0 Ų067.5 Ų67.50%036%0.358CS..EExtended strand (participates in β ladder)trans-119.7110.7-179.3-172.20000111.2L41 L43 F53 T65 Y66 I68C9-L41 HydrophobicContact CB-CB 4.33Å; C9-L43 WeakPolarHBondContact SG-CD1 3.38Å; C9-F53 HydrophobicContact CB-CD2 4.29Å; C9-F53 HydrophobicContact CB-CE2 3.54Å; C9-F53 HydrophobicContact CB-CZ 3.93Å; C9-F53 VanDerWaalsContact SG-CD2 3.58Å; C9-F53 WeakPolarHBondContact SG-CE2 3.24Å; C9-T65 CarbonylContact O-C 3.48Å; C9-T65 WeakPolarHBondContact O-CA 3.38Å; C9-Y66 PolarHBondContact N-O 2.87Å; C9-Y66 PolarHBondContact O-N 2.96Å; C9-I68 HydrophobicContact CB-CD1 4.38Å
10F95.5Very high82.5Confident11 Ų1164.3 Ų64.35%0.04834%0.341CS..EExtended strand (participates in β ladder)trans-91.2126.4171.4170.2-102.8000110V20 I21 L41 K42 L43 P63 S64 T65F10-V20 HydrophobicContact CD2-CG1 3.77Å; F10-V20 HydrophobicContact CE2-CB 3.72Å; F10-V20 HydrophobicContact CE2-CG1 3.37Å; F10-V20 HydrophobicContact CE2-CG2 4.45Å; F10-V20 HydrophobicContact CZ-CB 4.26Å; F10-V20 HydrophobicContact CZ-CG1 4.3Å; F10-I21 HydrophobicContact CE1-CD1 4.09Å; F10-I21 HydrophobicContact CE1-CG1 3.8Å; F10-I21 HydrophobicContact CZ-CD1 4.38Å; F10-I21 HydrophobicContact CZ-CG1 4Å; F10-L41 PolarHBondContact N-O 2.9Å; F10-K42 HydrophobicContact CD1-CB 4.5Å; F10-K42 HydrophobicContact CD1-CD 4.49Å; F10-K42 HydrophobicContact CD1-CG 4.04Å; F10-L43 PolarHBondContact O-N 3.41Å; F10-P63 HydrophobicContact CE2-CB 3.74Å; F10-P63 HydrophobicContact CZ-CB 4.09Å; F10-S64 WeakPolarHBondContact CA-O 3.32Å; F10-T65 HydrophobicContact CB-CG2 4.43Å
11L94.3Very high82.9Confident0 Ų063.2 Ų63.20%034%0.335CS..EExtended strand (participates in β ladder)trans-107.7107.3170.9-66.4105.2000109.4L43 A50 F53 V59 Y62 P63 S64 Y66L11-L43 WeakPolarHBondContact CA-O 3.41Å; L11-L43 HydrophobicContact CD2-CB 4.41Å; L11-L43 HydrophobicContact CD2-CD1 4.35Å; L11-L43 HydrophobicContact CG-CB 4.29Å; L11-L43 HydrophobicContact CG-CD1 4.46Å; L11-A50 HydrophobicContact CD2-CB 4.26Å; L11-F53 HydrophobicContact CD1-CD1 3.7Å; L11-F53 HydrophobicContact CD1-CE1 3.46Å; L11-F53 VanDerWaalsContact CD1-CE1 3.46Å; L11-F53 HydrophobicContact CD1-CG 4.47Å; L11-F53 HydrophobicContact CD1-CZ 4.07Å; L11-F53 HydrophobicContact CD2-CD1 3.82Å; L11-F53 HydrophobicContact CD2-CE1 4.44Å; L11-F53 HydrophobicContact CD2-CG 4.36Å; L11-F53 HydrophobicContact CG-CD1 4.3Å; L11-V59 HydrophobicContact CD1-CG2 4.28Å; L11-V59 HydrophobicContact CD2-CG2 4.06Å; L11-Y62 HydrophobicContact CB-CD1 4.14Å; L11-Y62 HydrophobicContact CB-CE1 3.95Å; L11-Y62 HydrophobicContact CD2-CE1 4.28Å; L11-P63 VanDerWaalsContact O-CA 3.3Å; L11-P63 WeakPolarHBondContact O-CA 3.43Å; L11-S64 PolarHBondContact N-O 2.84Å; L11-S64 PolarHBondContact O-N 2.73Å; L11-Y66 HydrophobicContact CD1-CD2 3.69Å; L11-Y66 HydrophobicContact CD1-CE2 3.9Å
12G92.7Very high85.3Confident0 Ų058.9 Ų58.90%031%0.312CS..EExtended strand (participates in β ladder)trans-85.1137.4175.300000112.1S17 L43 Q45G12-S17 VanDerWaalsContact CA-OG 3.3Å; G12-S17 WeakPolarHBondContact CA-OG 3.29Å; G12-L43 PolarHBondContact N-O 3.19Å; G12-Q45 WeakPolarHBondContact O-CB 3.44Å; G12-Q45 PolarHBondContact O-N 3.14Å
13G90Very high87Confident2 Ų252.6 Ų52.62%0.02128%0.277CS..  trans-164.1150169.100000108.9S17G13-S17 PolarHBondContact N-OG 2.93Å; G13-S17 PolarHBondContact O-OG 3.08Å
14G84.7Confident88.5Confident56 Ų5650.5 Ų50.558%0.57726%0.26SS*.SBendtrans65.5179.1-174.700000115.2S17G14-S17 WeakPolarHBondContact O-CB 3.33Å; G14-S17 PolarHBondContact O-N 3.05Å; G14-S17 PolarHBondContact O-OG 3.31Å
15N85.8Confident89.6Confident155 Ų15549.9 Ų49.983%0.82926%0.26SS*.THydrogen-bonded Turntrans-69.5-37.7-173.3-61.8-12.9000112.7S17 Q18N15-S17 PolarHBondContact O-N 3.09Å; N15-Q18 PolarHBondContact O-N 3.27Å
16E87.8Confident90.3Very high105 Ų10549.1 Ų49.149%0.49126%0.258SS..THydrogen-bonded Turntrans-56.2-16.9178.4-67.2174.6-16400114.2Q18 E19 V20 P63 P81E16-Q18 PolarHBondContact O-N 3.48Å; E16-E19 PolarHBondContact O-N 3.07Å; E16-V20 PolarHBondContact O-N 3.46Å; E16-P63 HydrophobicContact CB-CG 3.93Å; E16-P81 HydrophobicContact CB-CG 3.92Å; E16-P81 HydrophobicContact CG-CG 4.18Å; E16-P81 WeakPolarHBondContact OE2-CD 3.26Å
17S91.3Very high90.4Very high8 Ų851.6 Ų51.66%0.05628%0.283CS..Hα-helixtrans-59.6-31.1176.7-69.40000113.5G12 G13 G14 N15 I21G12-S17 VanDerWaalsContact CA-OG 3.3Å; G12-S17 WeakPolarHBondContact CA-OG 3.29Å; G13-S17 PolarHBondContact N-OG 2.93Å; G13-S17 PolarHBondContact O-OG 3.08Å; G14-S17 WeakPolarHBondContact O-CB 3.33Å; G14-S17 PolarHBondContact O-N 3.05Å; G14-S17 PolarHBondContact O-OG 3.31Å; N15-S17 PolarHBondContact O-N 3.09Å; S17-I21 WeakPolarHBondContact O-CD1 3.33Å; S17-I21 WeakPolarHBondContact O-CG1 3.32Å; S17-I21 PolarHBondContact O-N 3.21Å; S17-I21 VanDerWaalsContact O-N 3.09Å
18Q89.5Confident90.3Very high141 Ų14153.9 Ų53.966%0.65930%0.297SS*.Hα-helixtrans-66.1-46.6-178.6-69.2-176.7-19.200111.5N15 E16 V20 I21 E22N15-Q18 PolarHBondContact O-N 3.27Å; E16-Q18 PolarHBondContact O-N 3.48Å; Q18-V20 VanDerWaalsContact C-N 3.33Å; Q18-V20 PolarHBondContact O-N 3Å; Q18-I21 WeakPolarHBondContact O-CB 3.47Å; Q18-I21 PolarHBondContact O-N 3.09Å; Q18-E22 PolarHBondContact O-N 3.19Å
19E90Very high90.1Very high111 Ų11153.6 Ų53.652%0.51930%0.295SS..Hα-helixtrans-58.5-42.9177.4-170.9-177.8165.500111.8E16 I21 E22 Q23 P81E16-E19 PolarHBondContact O-N 3.07Å; E19-I21 VanDerWaalsContact C-N 3.35Å; E19-I21 PolarHBondContact O-N 3.48Å; E19-E22 PolarHBondContact O-N 2.65Å; E19-Q23 WeakPolarHBondContact O-CB 3.17Å; E19-Q23 PolarHBondContact O-N 3.17Å; E19-P81 HydrophobicContact CB-CG 4.47Å; E19-P81 VanDerWaalsContact CD-CB 3.45Å; E19-P81 HydrophobicContact CG-CB 4.16Å; E19-P81 WeakPolarHBondContact OE1-CB 3.25Å; E19-P81 WeakPolarHBondContact OE2-CB 3.37Å; E19-P81 WeakPolarHBondContact OE2-CG 3.37Å
20V91.1Very high89.8Confident3 Ų360.7 Ų60.72%0.01832%0.322CS..Hα-helixtrans-64.7-38.5175.5-176.60000111.6F10 E16 Q18 Q23 W24 P63 G80 P81F10-V20 HydrophobicContact CD2-CG1 3.77Å; F10-V20 HydrophobicContact CE2-CB 3.72Å; F10-V20 HydrophobicContact CE2-CG1 3.37Å; F10-V20 HydrophobicContact CE2-CG2 4.45Å; F10-V20 HydrophobicContact CZ-CB 4.26Å; F10-V20 HydrophobicContact CZ-CG1 4.3Å; E16-V20 PolarHBondContact O-N 3.46Å; Q18-V20 VanDerWaalsContact C-N 3.33Å; Q18-V20 PolarHBondContact O-N 3Å; V20-Q23 WeakPolarHBondContact O-CB 3.36Å; V20-Q23 PolarHBondContact O-N 2.79Å; V20-W24 PolarHBondContact O-N 3.46Å; V20-P63 HydrophobicContact CG2-CB 4.14Å; V20-P63 HydrophobicContact CG2-CG 3.76Å; V20-G80 WeakPolarHBondContact CG2-O 3.38Å; V20-P81 HydrophobicContact CG2-CG 4.48Å
21I90.6Very high89.4Confident42 Ų4266 Ų6622%0.21535%0.35CS..Hα-helixtrans-65.5-45.7177.6-68.3156.4000110.9F10 S17 Q18 E19 Q23 W24 D25F10-I21 HydrophobicContact CE1-CD1 4.09Å; F10-I21 HydrophobicContact CE1-CG1 3.8Å; F10-I21 HydrophobicContact CZ-CD1 4.38Å; F10-I21 HydrophobicContact CZ-CG1 4Å; S17-I21 WeakPolarHBondContact O-CD1 3.33Å; S17-I21 WeakPolarHBondContact O-CG1 3.32Å; S17-I21 PolarHBondContact O-N 3.21Å; S17-I21 VanDerWaalsContact O-N 3.09Å; Q18-I21 WeakPolarHBondContact O-CB 3.47Å; Q18-I21 PolarHBondContact O-N 3.09Å; E19-I21 VanDerWaalsContact C-N 3.35Å; E19-I21 PolarHBondContact O-N 3.48Å; I21-Q23 PolarHBondContact O-N 3.3Å; I21-W24 WeakPolarHBondContact O-CB 3.47Å; I21-W24 PolarHBondContact O-N 3.17Å; I21-W24 VanDerWaalsContact O-N 3.07Å; I21-D25 PolarHBondContact O-N 3.44Å
22E89.6Confident89.1Confident139 Ų13968.5 Ų68.565%0.6536%0.363SS*.Hα-helixtrans-58.7-38.5174.5-70.2176.7-173.900111.3Q18 E19 W24 D25 N26Q18-E22 PolarHBondContact O-N 3.19Å; E19-E22 PolarHBondContact O-N 2.65Å; E22-W24 VanDerWaalsContact C-N 3.33Å; E22-W24 PolarHBondContact O-N 2.98Å; E22-D25 PolarHBondContact O-N 3.47Å; E22-D25 VanDerWaalsContact O-N 3.15Å; E22-N26 PolarHBondContact O-N 3.31Å
23Q89.3Confident88.8Confident28 Ų2868.9 Ų68.913%0.13137%0.365CS..Hα-helixtrans-65.9-32.3176-170.652.293.800113E19 V20 I21 N26 I29 T84 L87E19-Q23 WeakPolarHBondContact O-CB 3.17Å; E19-Q23 PolarHBondContact O-N 3.17Å; V20-Q23 WeakPolarHBondContact O-CB 3.36Å; V20-Q23 PolarHBondContact O-N 2.79Å; I21-Q23 PolarHBondContact O-N 3.3Å; Q23-N26 WeakPolarHBondContact O-CB 3.29Å; Q23-I29 WeakPolarHBondContact O-CG1 3.5Å; Q23-T84 VanDerWaalsContact CD-CA 3.45Å; Q23-T84 PolarHBondContact NE2-OG1 2.99Å; Q23-T84 PolarHBondContact OE1-OG1 3.41Å; Q23-L87 HydrophobicContact CG-CD2 3.88Å
24W89.6Confident88.6Confident42 Ų4276.5 Ų76.516%0.15940%0.398CS..Hα-helixtrans-73.8-30.6170.1-79.9105.9000113.4I8 V20 I21 E22 N26 I29 L33 T65 F67 L87 I91I8-W24 HydrophobicContact CD1-CH2 4.11Å; I8-W24 HydrophobicContact CD1-CZ3 4.18Å; I8-W24 HydrophobicContact CG2-CH2 3.51Å; I8-W24 HydrophobicContact CG2-CZ2 3.87Å; I8-W24 HydrophobicContact CG2-CZ3 4.14Å; V20-W24 PolarHBondContact O-N 3.46Å; I21-W24 WeakPolarHBondContact O-CB 3.47Å; I21-W24 PolarHBondContact O-N 3.17Å; I21-W24 VanDerWaalsContact O-N 3.07Å; E22-W24 VanDerWaalsContact C-N 3.33Å; E22-W24 PolarHBondContact O-N 2.98Å; W24-N26 VanDerWaalsContact C-N 3.27Å; W24-N26 PolarHBondContact O-N 3.35Å; W24-I29 HydrophobicContact CE3-CG2 3.78Å; W24-I29 HydrophobicContact CZ3-CG2 4.06Å; W24-L33 HydrophobicContact CZ3-CD1 4.01Å; W24-T65 HydrophobicContact CH2-CG2 4.3Å; W24-T65 HydrophobicContact CZ2-CG2 3.42Å; W24-T65 VanDerWaalsContact CZ2-CG2 3.42Å; W24-F67 HydrophobicContact CH2-CE1 4.01Å; W24-F67 AromaticContact CH2-CZ 3.93Å; W24-F67 HydrophobicContact CH2-CZ 3.93Å; W24-F67 HydrophobicContact CZ2-CZ 4.16Å; W24-L87 HydrophobicContact CD2-CD2 4.2Å; W24-L87 HydrophobicContact CE3-CD2 4.45Å; W24-L87 HydrophobicContact CH2-CD1 3.67Å; W24-L87 HydrophobicContact CZ2-CD1 3.49Å; W24-L87 VanDerWaalsContact CZ2-CD1 3.49Å; W24-L87 HydrophobicContact CZ2-CD2 4.36Å; W24-L87 HydrophobicContact CZ3-CD1 4.37Å; W24-I91 HydrophobicContact CH2-CD1 3.94Å; W24-I91 HydrophobicContact CH2-CG1 4.29Å; W24-I91 HydrophobicContact CZ3-CD1 3.7Å; W24-I91 HydrophobicContact CZ3-CG1 4.44Å
25D88.6Confident88.4Confident87 Ų8777.6 Ų77.647%0.46541%0.409SS..Hα-helixtrans-75.9-13.9178.4-79.7-26.3000113.8I21 E22 A27 R30I21-D25 PolarHBondContact O-N 3.44Å; E22-D25 PolarHBondContact O-N 3.47Å; E22-D25 VanDerWaalsContact O-N 3.15Å; D25-A27 PolarHBondContact O-N 3.04Å; D25-R30 WeakPolarHBondContact O-CD 3.28Å; D25-R30 PolarHBondContact O-NE 3.05Å; D25-R30 IonicContact OD1-CZ 3.86Å; D25-R30 IonicContact OD1-NE 2.66Å; D25-R30 IonicContact OD1-NH2 2.91Å; D25-R30 PolarHBondContact OD1-NH2 2.95Å
26N88.9Confident88.3Confident53 Ų5375 Ų7528%0.28339%0.39SS..  trans-51130.9175.2-174.1-58000113E22 Q23 W24 C28 I29 R30E22-N26 PolarHBondContact O-N 3.31Å; Q23-N26 WeakPolarHBondContact O-CB 3.29Å; W24-N26 VanDerWaalsContact C-N 3.27Å; W24-N26 PolarHBondContact O-N 3.35Å; N26-C28 VanDerWaalsContact C-N 3.28Å; N26-C28 PolarHBondContact O-N 2.9Å; N26-C28 WeakPolarHBondContact OD1-CB 3.45Å; N26-C28 PolarHBondContact OD1-N 3.17Å; N26-I29 HydrophobicContact CB-CG1 4.07Å; N26-I29 WeakPolarHBondContact O-CB 3.28Å; N26-I29 PolarHBondContact O-N 3.05Å; N26-R30 PolarHBondContact O-N 3.47Å; N26-R30 VanDerWaalsContact O-N 3.13Å
27A89.9Confident88.2Confident76 Ų7674.8 Ų74.863%0.62839%0.393SS*.Hα-helixtrans-58.2-34.3-175.300000114D25 R30 L31D25-A27 PolarHBondContact O-N 3.04Å; A27-R30 PolarHBondContact O-N 3.47Å; A27-L31 WeakPolarHBondContact O-CB 3.47Å; A27-L31 PolarHBondContact O-N 3.36Å
28C88.8Confident87.9Confident67 Ų6778.3 Ų78.345%0.45341%0.405SS..Hα-helixtrans-66.9-38.5177.8-62.70000111.9N26 L31 L32N26-C28 VanDerWaalsContact C-N 3.28Å; N26-C28 PolarHBondContact O-N 2.9Å; N26-C28 WeakPolarHBondContact OD1-CB 3.45Å; N26-C28 PolarHBondContact OD1-N 3.17Å; C28-L31 PolarHBondContact O-N 2.92Å; C28-L32 WeakPolarHBondContact O-CG 3.46Å; C28-L32 PolarHBondContact O-N 3.24Å; C28-L32 VanDerWaalsContact O-N 3.11Å
29I89.4Confident87.9Confident0 Ų073.2 Ų73.20%038%0.384CS..Hα-helixtrans-66.3-47.8176.8-60.3-56000110.4Q23 W24 N26 L31 L32 L33 T84 L87 Q88 I91Q23-I29 WeakPolarHBondContact O-CG1 3.5Å; W24-I29 HydrophobicContact CE3-CG2 3.78Å; W24-I29 HydrophobicContact CZ3-CG2 4.06Å; N26-I29 HydrophobicContact CB-CG1 4.07Å; N26-I29 WeakPolarHBondContact O-CB 3.28Å; N26-I29 PolarHBondContact O-N 3.05Å; I29-L31 PolarHBondContact O-N 3.46Å; I29-L32 PolarHBondContact O-N 3.06Å; I29-L33 HydrophobicContact CG2-CD1 4.37Å; I29-L33 PolarHBondContact O-N 3.46Å; I29-T84 HydrophobicContact CD1-CG2 4.42Å; I29-L87 HydrophobicContact CD1-CB 4.23Å; I29-L87 HydrophobicContact CD1-CD2 3.82Å; I29-L87 HydrophobicContact CD1-CG 3.8Å; I29-L87 HydrophobicContact CG1-CD2 3.95Å; I29-L87 HydrophobicContact CG1-CG 4.48Å; I29-L87 HydrophobicContact CG2-CD2 4.3Å; I29-Q88 HydrophobicContact CD1-CB 4.49Å; I29-Q88 HydrophobicContact CD1-CG 3.6Å; I29-I91 HydrophobicContact CD1-CD1 4.13Å; I29-I91 HydrophobicContact CG2-CD1 3.64Å
30R87.6Confident87.9Confident148 Ų14871.2 Ų71.256%0.55839%0.386SS*.Hα-helixtrans-58.7-35175.2-67.3-179.4170.9-144.82112.5D25 N26 A27 K34D25-R30 WeakPolarHBondContact O-CD 3.28Å; D25-R30 PolarHBondContact O-NE 3.05Å; D25-R30 IonicContact OD1-CZ 3.86Å; D25-R30 IonicContact OD1-NE 2.66Å; D25-R30 IonicContact OD1-NH2 2.91Å; D25-R30 PolarHBondContact OD1-NH2 2.95Å; N26-R30 PolarHBondContact O-N 3.47Å; N26-R30 VanDerWaalsContact O-N 3.13Å; A27-R30 PolarHBondContact O-N 3.47Å; R30-K34 PolarHBondContact O-N 3.27Å
31L88.7Confident87.9Confident123 Ų12373.4 Ų73.464%0.64440%0.398SS*.Hα-helixtrans-71.3-41.3177.9-172.463.2000112.8A27 C28 I29 L33 K34A27-L31 WeakPolarHBondContact O-CB 3.47Å; A27-L31 PolarHBondContact O-N 3.36Å; C28-L31 PolarHBondContact O-N 2.92Å; I29-L31 PolarHBondContact O-N 3.46Å; L31-L33 PolarHBondContact O-N 3.03Å; L31-K34 HydrophobicContact CD1-CD 4.38Å; L31-K34 WeakPolarHBondContact O-CB 3.31Å; L31-K34 PolarHBondContact O-N 2.86Å
32L86.8Confident88.1Confident52 Ų5277.8 Ų77.827%0.27242%0.415SS..Hα-helixtrans-61.1-33.6177.1-74.5172.6000113C28 I29 Q88 I91 K92C28-L32 WeakPolarHBondContact O-CG 3.46Å; C28-L32 PolarHBondContact O-N 3.24Å; C28-L32 VanDerWaalsContact O-N 3.11Å; I29-L32 PolarHBondContact O-N 3.06Å; L32-Q88 HydrophobicContact CD1-CB 3.87Å; L32-Q88 HydrophobicContact CD1-CG 3.69Å; L32-I91 HydrophobicContact CB-CG2 3.94Å; L32-I91 HydrophobicContact CD1-CG2 4.34Å; L32-K92 HydrophobicContact CD2-CG 4.35Å
33L86.3Confident88.3Confident8 Ų872.1 Ų72.14%0.04239%0.389CS..Hα-helixtrans-89-9.6-179.9-69.9171.8000113.8I8 W24 I29 L31 G35 K36 Y38 I91 V95I8-L33 HydrophobicContact CD1-CD1 4.23Å; I8-L33 HydrophobicContact CD1-CD2 3.99Å; W24-L33 HydrophobicContact CZ3-CD1 4.01Å; I29-L33 HydrophobicContact CG2-CD1 4.37Å; I29-L33 PolarHBondContact O-N 3.46Å; L31-L33 PolarHBondContact O-N 3.03Å; L33-G35 PolarHBondContact O-N 3.07Å; L33-K36 WeakPolarHBondContact O-CB 3.25Å; L33-K36 PolarHBondContact O-N 3.37Å; L33-K36 VanDerWaalsContact O-N 3.17Å; L33-Y38 HydrophobicContact CB-CE1 3.72Å; L33-Y38 HydrophobicContact CD1-CE2 3.97Å; L33-Y38 HydrophobicContact CD2-CD1 4.18Å; L33-Y38 HydrophobicContact CD2-CD2 4.38Å; L33-Y38 HydrophobicContact CD2-CE1 4.11Å; L33-Y38 HydrophobicContact CD2-CE2 4.26Å; L33-Y38 HydrophobicContact CD2-CG 4.36Å; L33-Y38 HydrophobicContact CG-CE1 4.36Å; L33-Y38 HydrophobicContact CG-CE2 4.49Å; L33-Y38 WeakPolarHBondContact O-CE1 3.35Å; L33-I91 HydrophobicContact CD1-CD1 4.27Å; L33-I91 HydrophobicContact CD2-CG2 3.82Å; L33-I91 HydrophobicContact CG-CG2 4.06Å; L33-V95 HydrophobicContact CD2-CG2 4.4Å
34K85.8Confident88.4Confident163 Ų16375.9 Ų75.971%0.70941%0.407SS*.THydrogen-bonded Turntrans-64.1124.6-178.1-169175.5-179.1179.60110.7R30 L31 K36R30-K34 PolarHBondContact O-N 3.27Å; L31-K34 HydrophobicContact CD1-CD 4.38Å; L31-K34 WeakPolarHBondContact O-CB 3.31Å; L31-K34 PolarHBondContact O-N 2.86Å; K34-K36 VanDerWaalsContact C-N 3.3Å; K34-K36 PolarHBondContact O-N 3.19Å
35G80.5Confident88.5Confident79 Ų7978.8 Ų78.881%0.81442%0.422SS*.THydrogen-bonded Turntrans72.519.2-17900000114.6L33L33-G35 PolarHBondContact O-N 3.07Å
36K84.7Confident88.5Confident99 Ų9977.4 Ų77.443%0.4343%0.429SS..  trans-100.5148.7170.6-52.9-57.3-179.71660109.9L33 K34 Y38 V95L33-K36 WeakPolarHBondContact O-CB 3.25Å; L33-K36 PolarHBondContact O-N 3.37Å; L33-K36 VanDerWaalsContact O-N 3.17Å; K34-K36 VanDerWaalsContact C-N 3.3Å; K34-K36 PolarHBondContact O-N 3.19Å; K36-Y38 HydrophobicContact CB-CD1 4.12Å; K36-Y38 WeakPolarHBondContact O-CD1 3.36Å; K36-Y38 PolarHBondContact O-N 2.86Å; K36-V95 HydrophobicContact CD-CG1 3.64Å; K36-V95 HydrophobicContact CG-CG1 4.08Å; K36-V95 HydrophobicContact CG-CG2 4.21Å
37N84.6Confident88.7Confident101 Ų10176.9 Ų76.954%0.5443%0.429SS..  trans-88.896.9177.4-62.1-21.1000109.2V3 K6V3-N37 HydrophobicContact CG1-CB 4.05Å; V3-N37 VanDerWaalsContact CG1-ND2 3.29Å; V3-N37 WeakPolarHBondContact CG1-ND2 3.21Å; K6-N37 PolarHBondContact N-O 2.89Å
38Y86.6Confident88.8Confident82 Ų8276.3 Ų76.332%0.32243%0.425SS..EExtended strand (participates in β ladder)trans-147154.9176.473.2-71.2000111.5K6 I8 L33 K36 A40K6-Y38 CarbonylContact O-C 3.48Å; K6-Y38 WeakPolarHBondContact O-CA 3.41Å; K6-Y38 WeakPolarHBondContact O-CB 3.31Å; I8-Y38 HydrophobicContact CD1-CD2 3.84Å; I8-Y38 HydrophobicContact CD1-CE2 4.27Å; I8-Y38 HydrophobicContact CG1-CD2 4.23Å; L33-Y38 HydrophobicContact CB-CE1 3.72Å; L33-Y38 HydrophobicContact CD1-CE2 3.97Å; L33-Y38 HydrophobicContact CD2-CD1 4.18Å; L33-Y38 HydrophobicContact CD2-CD2 4.38Å; L33-Y38 HydrophobicContact CD2-CE1 4.11Å; L33-Y38 HydrophobicContact CD2-CE2 4.26Å; L33-Y38 HydrophobicContact CD2-CG 4.36Å; L33-Y38 HydrophobicContact CG-CE1 4.36Å; L33-Y38 HydrophobicContact CG-CE2 4.49Å; L33-Y38 WeakPolarHBondContact O-CE1 3.35Å; K36-Y38 HydrophobicContact CB-CD1 4.12Å; K36-Y38 WeakPolarHBondContact O-CD1 3.36Å; K36-Y38 PolarHBondContact O-N 2.86Å; Y38-A40 HydrophobicContact CD2-CB 4.4Å; Y38-A40 HydrophobicContact CE2-CB 3.98Å
39V88Confident88.9Confident34 Ų3475.3 Ų75.321%0.20642%0.421CS..EExtended strand (participates in β ladder)trans-106.2125.7170-177.90000108.7K6 A7 I8 L41 F272K6-V39 PolarHBondContact O-N 3.31Å; A7-V39 CarbonylContact C-O 3.56Å; A7-V39 WeakPolarHBondContact CA-O 3.47Å; I8-V39 PolarHBondContact N-O 3.34Å; V39-L41 HydrophobicContact CG1-CD2 4.01Å; V39-L41 HydrophobicContact CG1-CG 4.19Å; V39-F272 HydrophobicContact CG2-CE2 3.98Å; V39-F272 HydrophobicContact CG2-CZ 3.6Å
40A90.8Very high88.8Confident69 Ų6975.4 Ų75.457%0.5742%0.422SS*.EExtended strand (participates in β ladder)trans-99128.9170.400000110.6I8 Y38I8-A40 CarbonylContact O-C 3.57Å; I8-A40 WeakPolarHBondContact O-CA 3.21Å; Y38-A40 HydrophobicContact CD2-CB 4.4Å; Y38-A40 HydrophobicContact CE2-CB 3.98Å
41L91.7Very high88.9Confident50 Ų5073.9 Ų73.926%0.26242%0.423SS..EExtended strand (participates in β ladder)trans-120.4133.4176.4-60.8176.3000109.8I8 C9 F10 V39I8-L41 PolarHBondContact O-N 3.22Å; C9-L41 HydrophobicContact CB-CB 4.33Å; F10-L41 PolarHBondContact N-O 2.9Å; V39-L41 HydrophobicContact CG1-CD2 4.01Å; V39-L41 HydrophobicContact CG1-CG 4.19Å
42K94Very high88.9Confident133 Ų13374 Ų7458%0.57842%0.42SS*.EExtended strand (participates in β ladder)trans-115.8110.8171170.2166.8-179.3-179.50108.3F10F10-K42 HydrophobicContact CD1-CB 4.5Å; F10-K42 HydrophobicContact CD1-CD 4.49Å; F10-K42 HydrophobicContact CD1-CG 4.04Å
43L93.5Very high89.1Confident21 Ų2172.3 Ų72.311%0.1141%0.41CS..EExtended strand (participates in β ladder)trans-111.2142.5-179-51.7-176.5000109.5C9 F10 L11 G12 A49 A50 F53C9-L43 WeakPolarHBondContact SG-CD1 3.38Å; F10-L43 PolarHBondContact O-N 3.41Å; L11-L43 WeakPolarHBondContact CA-O 3.41Å; L11-L43 HydrophobicContact CD2-CB 4.41Å; L11-L43 HydrophobicContact CD2-CD1 4.35Å; L11-L43 HydrophobicContact CG-CB 4.29Å; L11-L43 HydrophobicContact CG-CD1 4.46Å; G12-L43 PolarHBondContact N-O 3.19Å; L43-A49 HydrophobicContact CD2-CB 3.85Å; L43-A50 HydrophobicContact CB-CB 4.11Å; L43-F53 HydrophobicContact CD1-CB 3.59Å; L43-F53 HydrophobicContact CD1-CD2 4.03Å; L43-F53 HydrophobicContact CD1-CG 3.89Å
44Q92.5Very high89.2Confident107 Ų10774.2 Ų74.250%0.542%0.423SS..EExtended strand (participates in β ladder)trans-102.5136.1176.4-172.164.129.700110.1G46 S47 A50Q44-G46 PolarHBondContact O-N 2.94Å; Q44-S47 WeakPolarHBondContact O-CB 3.47Å; Q44-S47 PolarHBondContact O-N 2.9Å; Q44-S47 PolarHBondContact O-OG 3.16Å; Q44-A50 WeakPolarHBondContact O-CB 3.42Å
45Q91.5Very high89.3Confident102 Ų10270.7 Ų70.748%0.47742%0.419SS..THydrogen-bonded Turntrans-48.9131.9173-172.7178.417.700110.8G12 S47 Y62G12-Q45 WeakPolarHBondContact O-CB 3.44Å; G12-Q45 PolarHBondContact O-N 3.14Å; Q45-S47 VanDerWaalsContact C-N 3.27Å; Q45-S47 PolarHBondContact O-N 2.97Å; Q45-Y62 HydrophobicContact CB-CD1 3.85Å; Q45-Y62 HydrophobicContact CB-CE1 3.68Å; Q45-Y62 HydrophobicContact CB-CG 4.45Å; Q45-Y62 HydrophobicContact CG-CD1 4.1Å; Q45-Y62 HydrophobicContact CG-CD2 4.27Å; Q45-Y62 HydrophobicContact CG-CE1 3.79Å; Q45-Y62 HydrophobicContact CG-CE2 4Å; Q45-Y62 HydrophobicContact CG-CG 4.32Å
46G88.2Confident89.6Confident59 Ų5971.5 Ų71.561%0.60841%0.408SS*.THydrogen-bonded Turntrans80.2-8.9-176.400000115.7Q44Q44-G46 PolarHBondContact O-N 2.94Å
47S92.8Very high89.9Confident41 Ų4168.7 Ų68.729%0.28740%0.395SS..SBendtrans-70.8150.8171.869.80000111.8Q44 Q45 A49 A50 M51Q44-S47 WeakPolarHBondContact O-CB 3.47Å; Q44-S47 PolarHBondContact O-N 2.9Å; Q44-S47 PolarHBondContact O-OG 3.16Å; Q45-S47 VanDerWaalsContact C-N 3.27Å; Q45-S47 PolarHBondContact O-N 2.97Å; S47-A49 VanDerWaalsContact C-N 3.25Å; S47-A49 PolarHBondContact O-N 2.91Å; S47-A50 WeakPolarHBondContact O-CB 3.35Å; S47-A50 PolarHBondContact O-N 3.16Å; S47-A50 WeakPolarHBondContact OG-CB 3.35Å; S47-A50 PolarHBondContact OG-N 3.12Å; S47-M51 PolarHBondContact O-N 3.35Å
48A91.4Very high90Very high65 Ų6568.7 Ų68.754%0.53740%0.401SS..Hα-helixtrans-55.2-40.1177.700000112.8M51 Q52A48-M51 PolarHBondContact O-N 2.8Å; A48-Q52 WeakPolarHBondContact O-CG 3.15Å; A48-Q52 PolarHBondContact O-N 3.44Å
49A90.8Very high90.1Very high46 Ų4666.2 Ų66.238%0.3839%0.394SS..Hα-helixtrans-67.6-36.9176.600000112.7L43 S47 Q52 F53L43-A49 HydrophobicContact CD2-CB 3.85Å; S47-A49 VanDerWaalsContact C-N 3.25Å; S47-A49 PolarHBondContact O-N 2.91Å; A49-Q52 PolarHBondContact O-N 2.94Å; A49-F53 PolarHBondContact O-N 3.48Å
50A89Confident89.6Confident1 Ų170.9 Ų70.91%0.00842%0.417CS..Hα-helixtrans-66.3-39.6172.800000112L11 L43 Q44 S47 F53 C54L11-A50 HydrophobicContact CD2-CB 4.26Å; L43-A50 HydrophobicContact CB-CB 4.11Å; Q44-A50 WeakPolarHBondContact O-CB 3.42Å; S47-A50 WeakPolarHBondContact O-CB 3.35Å; S47-A50 PolarHBondContact O-N 3.16Å; S47-A50 WeakPolarHBondContact OG-CB 3.35Å; S47-A50 PolarHBondContact OG-N 3.12Å; A50-F53 WeakPolarHBondContact O-CB 3.49Å; A50-F53 PolarHBondContact O-N 3.47Å; A50-C54 PolarHBondContact O-N 2.84Å; A50-C54 PolarHBondContact O-SG 3.19Å
51M89.5Confident89.4Confident117 Ų11769.1 Ų69.158%0.57640%0.401SS*.Hα-helixtrans-63.7-43175.8-67.1-171.9-70.300111.8S47 A48 F53 C54 S55S47-M51 PolarHBondContact O-N 3.35Å; A48-M51 PolarHBondContact O-N 2.8Å; M51-F53 VanDerWaalsContact C-N 3.32Å; M51-F53 PolarHBondContact O-N 3.48Å; M51-C54 PolarHBondContact O-N 2.92Å; M51-S55 PolarHBondContact O-N 3.38Å; M51-S55 VanDerWaalsContact O-N 3.12Å
52Q87.5Confident89.4Confident125 Ų12570 Ų7058%0.58440%0.401SS*.Hα-helixtrans-63.3-34.4172.9-72.3174.4-10.100113A48 A49 S55A48-Q52 WeakPolarHBondContact O-CG 3.15Å; A48-Q52 PolarHBondContact O-N 3.44Å; A49-Q52 PolarHBondContact O-N 2.94Å; Q52-S55 PolarHBondContact O-OG 2.93Å
53F90.7Very high89.4Confident17 Ų1763.7 Ų63.78%0.07537%0.374CS..Hα-helixtrans-67.1-44172.4-174.1-85.1000111.5C9 L11 L43 A49 A50 M51 S55 V56 Y57 V59 Y66 I68C9-F53 HydrophobicContact CB-CD2 4.29Å; C9-F53 HydrophobicContact CB-CE2 3.54Å; C9-F53 HydrophobicContact CB-CZ 3.93Å; C9-F53 VanDerWaalsContact SG-CD2 3.58Å; C9-F53 WeakPolarHBondContact SG-CE2 3.24Å; L11-F53 HydrophobicContact CD1-CD1 3.7Å; L11-F53 HydrophobicContact CD1-CE1 3.46Å; L11-F53 VanDerWaalsContact CD1-CE1 3.46Å; L11-F53 HydrophobicContact CD1-CG 4.47Å; L11-F53 HydrophobicContact CD1-CZ 4.07Å; L11-F53 HydrophobicContact CD2-CD1 3.82Å; L11-F53 HydrophobicContact CD2-CE1 4.44Å; L11-F53 HydrophobicContact CD2-CG 4.36Å; L11-F53 HydrophobicContact CG-CD1 4.3Å; L43-F53 HydrophobicContact CD1-CB 3.59Å; L43-F53 HydrophobicContact CD1-CD2 4.03Å; L43-F53 HydrophobicContact CD1-CG 3.89Å; A49-F53 PolarHBondContact O-N 3.48Å; A50-F53 WeakPolarHBondContact O-CB 3.49Å; A50-F53 PolarHBondContact O-N 3.47Å; M51-F53 VanDerWaalsContact C-N 3.32Å; M51-F53 PolarHBondContact O-N 3.48Å; F53-S55 VanDerWaalsContact C-N 3.25Å; F53-S55 PolarHBondContact O-N 3.28Å; F53-V56 PolarHBondContact O-N 3.24Å; F53-Y57 HydrophobicContact CD1-CD2 4.24Å; F53-Y57 AromaticContact CD2-CD2 3.91Å; F53-Y57 HydrophobicContact CD2-CD2 3.91Å; F53-Y57 HydrophobicContact CD2-CE2 4.35Å; F53-Y57 AromaticContact CE1-CD2 3.81Å; F53-Y57 HydrophobicContact CE1-CD2 3.81Å; F53-Y57 HydrophobicContact CE1-CG 4.11Å; F53-Y57 AromaticContact CE2-CD2 3.44Å; F53-Y57 HydrophobicContact CE2-CD2 3.44Å; F53-Y57 VanDerWaalsContact CE2-CD2 3.44Å; F53-Y57 AromaticContact CE2-CE2 3.83Å; F53-Y57 HydrophobicContact CE2-CE2 3.83Å; F53-Y57 HydrophobicContact CE2-CG 4.4Å; F53-Y57 HydrophobicContact CG-CD2 4.29Å; F53-Y57 AromaticContact CZ-CD2 3.39Å; F53-Y57 HydrophobicContact CZ-CD2 3.39Å; F53-Y57 HydrophobicContact CZ-CE2 4.14Å; F53-Y57 AromaticContact CZ-CG 3.91Å; F53-Y57 HydrophobicContact CZ-CG 3.91Å; F53-Y57 PolarHBondContact O-N 3.41Å; F53-V59 HydrophobicContact CD1-CG2 3.95Å; F53-V59 HydrophobicContact CE1-CG2 4.03Å; F53-Y66 HydrophobicContact CE1-CD1 4.28Å; F53-Y66 AromaticContact CE1-CD2 3.95Å; F53-Y66 HydrophobicContact CE1-CD2 3.95Å; F53-Y66 HydrophobicContact CE1-CE1 4.49Å; F53-Y66 HydrophobicContact CE1-CE2 4.22Å; F53-Y66 HydrophobicContact CE1-CG 4.03Å; F53-Y66 HydrophobicContact CZ-CD1 4.11Å; F53-Y66 HydrophobicContact CZ-CD2 4.03Å; F53-Y66 AromaticContact CZ-CG 3.74Å; F53-Y66 HydrophobicContact CZ-CG 3.74Å; F53-I68 HydrophobicContact CE2-CD1 3.73Å; F53-I68 HydrophobicContact CZ-CD1 3.98Å
54C89Confident89.4Confident47 Ų4762.8 Ų62.832%0.31837%0.369SS..Hα-helixtrans-63.7-26.5180-670000113.5A50 M51 V56 Y57 V59A50-C54 PolarHBondContact O-N 2.84Å; A50-C54 PolarHBondContact O-SG 3.19Å; M51-C54 PolarHBondContact O-N 2.92Å; C54-V56 VanDerWaalsContact C-N 3.25Å; C54-V56 PolarHBondContact O-N 3.06Å; C54-Y57 WeakPolarHBondContact CA-O 3.45Å; C54-V59 VanDerWaalsContact SG-CG2 3.57Å
55S88.4Confident89.5Confident89 Ų8957.9 Ų57.962%0.62235%0.346SS*.THydrogen-bonded Turntrans-75.2-12174.563.80000113.8M51 Q52 F53M51-S55 PolarHBondContact O-N 3.38Å; M51-S55 VanDerWaalsContact O-N 3.12Å; Q52-S55 PolarHBondContact O-OG 2.93Å; F53-S55 VanDerWaalsContact C-N 3.25Å; F53-S55 PolarHBondContact O-N 3.28Å
56V87.1Confident89.6Confident97 Ų9753.4 Ų53.459%0.58833%0.325SS*.THydrogen-bonded Turntrans-107.8-39.8177.7-176.20000111.4F53 C54F53-V56 PolarHBondContact O-N 3.24Å; C54-V56 VanDerWaalsContact C-N 3.25Å; C54-V56 PolarHBondContact O-N 3.06Å
57Y89.8Confident89.9Confident40 Ų4050.7 Ų50.716%0.15730%0.297CS..SBendtrans-123.6127.7-178.3-55.7-73.9000110.8F53 C54 V59 I68 G72 V74F53-Y57 HydrophobicContact CD1-CD2 4.24Å; F53-Y57 AromaticContact CD2-CD2 3.91Å; F53-Y57 HydrophobicContact CD2-CD2 3.91Å; F53-Y57 HydrophobicContact CD2-CE2 4.35Å; F53-Y57 AromaticContact CE1-CD2 3.81Å; F53-Y57 HydrophobicContact CE1-CD2 3.81Å; F53-Y57 HydrophobicContact CE1-CG 4.11Å; F53-Y57 AromaticContact CE2-CD2 3.44Å; F53-Y57 HydrophobicContact CE2-CD2 3.44Å; F53-Y57 VanDerWaalsContact CE2-CD2 3.44Å; F53-Y57 AromaticContact CE2-CE2 3.83Å; F53-Y57 HydrophobicContact CE2-CE2 3.83Å; F53-Y57 HydrophobicContact CE2-CG 4.4Å; F53-Y57 HydrophobicContact CG-CD2 4.29Å; F53-Y57 AromaticContact CZ-CD2 3.39Å; F53-Y57 HydrophobicContact CZ-CD2 3.39Å; F53-Y57 HydrophobicContact CZ-CE2 4.14Å; F53-Y57 AromaticContact CZ-CG 3.91Å; F53-Y57 HydrophobicContact CZ-CG 3.91Å; F53-Y57 PolarHBondContact O-N 3.41Å; C54-Y57 WeakPolarHBondContact CA-O 3.45Å; Y57-V59 PolarHBondContact O-N 2.89Å; Y57-V59 VanDerWaalsContact O-N 3.11Å; Y57-I68 HydrophobicContact CD2-CD1 4.29Å; Y57-I68 HydrophobicContact CE1-CD1 4.5Å; Y57-I68 HydrophobicContact CE2-CD1 3.74Å; Y57-I68 WeakPolarHBondContact OH-CG2 3.37Å; Y57-G72 WeakPolarHBondContact CE1-O 3.33Å; Y57-G72 PolarHBondContact OH-O 3.12Å; Y57-G72 VanDerWaalsContact OH-O 3.1Å; Y57-V74 HydrophobicContact CD1-CG2 3.31Å; Y57-V74 HydrophobicContact CE1-CG2 3.55Å; Y57-V74 HydrophobicContact CG-CG2 4.3Å
58P87.9Confident89.8Confident100 Ų10049.3 Ų49.365%0.64929%0.286SS*.  trans-68.8112.2-179.327-33.7000110.9Y66P58-Y66 PolarHBondContact O-OH 3.44Å
59V87.7Confident89.6Confident31 Ų3151.6 Ų51.619%0.18828%0.281CS..  trans-91.7113.5177.4-177.90000110.2L11 F53 C54 Y57 Y62 Y66L11-V59 HydrophobicContact CD1-CG2 4.28Å; L11-V59 HydrophobicContact CD2-CG2 4.06Å; F53-V59 HydrophobicContact CD1-CG2 3.95Å; F53-V59 HydrophobicContact CE1-CG2 4.03Å; C54-V59 VanDerWaalsContact SG-CG2 3.57Å; Y57-V59 PolarHBondContact O-N 2.89Å; Y57-V59 VanDerWaalsContact O-N 3.11Å; V59-Y62 HydrophobicContact CG1-CE1 4.23Å; V59-Y62 HydrophobicContact CG1-CE2 3.96Å; V59-Y66 WeakPolarHBondContact CA-OH 3.36Å; V59-Y66 HydrophobicContact CG2-CE2 4.25Å
60L77.9Confident89.4Confident131 Ų13151.8 Ų51.869%0.68628%0.28SS*.  trans-97.2-18.3-173.9-61.9177000114
61S87.3Confident89.1Confident33 Ų3356.8 Ų56.823%0.23131%0.306CS..SBendtrans-159.6156-176.160.10000111.4S64 K79S61-S64 WeakPolarHBondContact O-CB 3.43Å; S61-S64 PolarHBondContact O-OG 2.88Å; S61-K79 WeakPolarHBondContact OG-CB 3.26Å; S61-K79 WeakPolarHBondContact OG-CG 3.33Å
62Y90.5Very high88.9Confident68 Ų6852.5 Ų52.527%0.26729%0.292SS..SBendtrans-124.1136.9169.9-65.7-93.4000108.7L11 Q45 V59L11-Y62 HydrophobicContact CB-CD1 4.14Å; L11-Y62 HydrophobicContact CB-CE1 3.95Å; L11-Y62 HydrophobicContact CD2-CE1 4.28Å; Q45-Y62 HydrophobicContact CB-CD1 3.85Å; Q45-Y62 HydrophobicContact CB-CE1 3.68Å; Q45-Y62 HydrophobicContact CB-CG 4.45Å; Q45-Y62 HydrophobicContact CG-CD1 4.1Å; Q45-Y62 HydrophobicContact CG-CD2 4.27Å; Q45-Y62 HydrophobicContact CG-CE1 3.79Å; Q45-Y62 HydrophobicContact CG-CE2 4Å; Q45-Y62 HydrophobicContact CG-CG 4.32Å; V59-Y62 HydrophobicContact CG1-CE1 4.23Å; V59-Y62 HydrophobicContact CG1-CE2 3.96Å
63P93.8Very high88.8Confident1 Ų147.4 Ų47.41%0.00627%0.273CS..SBendcis-68158.9-9.228.3-33.4000112.6F10 L11 E16 V20 G80F10-P63 HydrophobicContact CE2-CB 3.74Å; F10-P63 HydrophobicContact CZ-CB 4.09Å; L11-P63 VanDerWaalsContact O-CA 3.3Å; L11-P63 WeakPolarHBondContact O-CA 3.43Å; E16-P63 HydrophobicContact CB-CG 3.93Å; V20-P63 HydrophobicContact CG2-CB 4.14Å; V20-P63 HydrophobicContact CG2-CG 3.76Å; P63-G80 PolarHBondContact O-N 2.94Å
64S94.2Very high88.7Confident2 Ų249.5 Ų49.51%0.01429%0.287CS..EExtended strand (participates in β ladder)trans-149.9152.5168.848.40000112.1F10 L11 S61 M78F10-S64 WeakPolarHBondContact CA-O 3.32Å; L11-S64 PolarHBondContact N-O 2.84Å; L11-S64 PolarHBondContact O-N 2.73Å; S61-S64 WeakPolarHBondContact O-CB 3.43Å; S61-S64 PolarHBondContact O-OG 2.88Å; S64-M78 CarbonylContact C-O 3.53Å; S64-M78 WeakPolarHBondContact CA-O 3.39Å; S64-M78 VanDerWaalsContact CB-O 3.24Å; S64-M78 WeakPolarHBondContact CB-O 3.43Å
65T94.5Very high88.8Confident3 Ų349.5 Ų49.52%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-125.9125.9174.2-460000111.2I8 C9 F10 W24 F67 V77 M78I8-T65 HydrophobicContact CG2-CG2 3.72Å; C9-T65 CarbonylContact O-C 3.48Å; C9-T65 WeakPolarHBondContact O-CA 3.38Å; F10-T65 HydrophobicContact CB-CG2 4.43Å; W24-T65 HydrophobicContact CH2-CG2 4.3Å; W24-T65 HydrophobicContact CZ2-CG2 3.42Å; W24-T65 VanDerWaalsContact CZ2-CG2 3.42Å; T65-F67 HydrophobicContact CG2-CE2 4.42Å; T65-V77 CarbonylContact O-C 3.55Å; T65-V77 WeakPolarHBondContact O-CA 3.48Å; T65-M78 PolarHBondContact N-O 3.11Å; T65-M78 PolarHBondContact O-N 3.02Å
66Y94.6Very high88.9Confident9 Ų947.7 Ų47.74%0.03527%0.266CS..EExtended strand (participates in β ladder)trans-101.7131.3178.8-73.2-108.4000110.4I8 C9 L11 F53 P58 V59 V74 V77I8-Y66 WeakPolarHBondContact CA-O 3.47Å; C9-Y66 PolarHBondContact N-O 2.87Å; C9-Y66 PolarHBondContact O-N 2.96Å; L11-Y66 HydrophobicContact CD1-CD2 3.69Å; L11-Y66 HydrophobicContact CD1-CE2 3.9Å; F53-Y66 HydrophobicContact CE1-CD1 4.28Å; F53-Y66 AromaticContact CE1-CD2 3.95Å; F53-Y66 HydrophobicContact CE1-CD2 3.95Å; F53-Y66 HydrophobicContact CE1-CE1 4.49Å; F53-Y66 HydrophobicContact CE1-CE2 4.22Å; F53-Y66 HydrophobicContact CE1-CG 4.03Å; F53-Y66 HydrophobicContact CZ-CD1 4.11Å; F53-Y66 HydrophobicContact CZ-CD2 4.03Å; F53-Y66 AromaticContact CZ-CG 3.74Å; F53-Y66 HydrophobicContact CZ-CG 3.74Å; P58-Y66 PolarHBondContact O-OH 3.44Å; V59-Y66 WeakPolarHBondContact CA-OH 3.36Å; V59-Y66 HydrophobicContact CG2-CE2 4.25Å; Y66-V74 HydrophobicContact CD1-CG1 4.07Å; Y66-V74 HydrophobicContact CD1-CG2 4.18Å; Y66-V77 HydrophobicContact CD1-CG1 4.47Å; Y66-V77 HydrophobicContact CD1-CG2 3.68Å; Y66-V77 HydrophobicContact CD2-CG1 4.25Å; Y66-V77 HydrophobicContact CE1-CG1 4.17Å; Y66-V77 HydrophobicContact CE1-CG2 3.6Å; Y66-V77 HydrophobicContact CE2-CG1 3.9Å; Y66-V77 HydrophobicContact CG-CG1 4.48Å; Y66-V77 HydrophobicContact CG-CG2 4.28Å
67F93.5Very high89.2Confident1 Ų145 Ų450%0.00425%0.25CC..EExtended strand (participates in β ladder)trans-102.6111.1171-66.8-86.3000108.2I8 W24 T65 Q75 D76 M78 L87 K90 I91 F94I8-F67 HydrophobicContact CD1-CD1 4.41Å; I8-F67 HydrophobicContact CD1-CE1 4.17Å; I8-F67 HydrophobicContact CG1-CD1 4.13Å; I8-F67 HydrophobicContact CG1-CE1 4.3Å; I8-F67 HydrophobicContact CG2-CE1 4.41Å; W24-F67 HydrophobicContact CH2-CE1 4.01Å; W24-F67 AromaticContact CH2-CZ 3.93Å; W24-F67 HydrophobicContact CH2-CZ 3.93Å; W24-F67 HydrophobicContact CZ2-CZ 4.16Å; T65-F67 HydrophobicContact CG2-CE2 4.42Å; F67-Q75 HydrophobicContact CB-CB 4.48Å; F67-Q75 WeakPolarHBondContact O-CB 3.42Å; F67-Q75 PolarHBondContact O-N 2.81Å; F67-D76 HydrophobicContact CB-CB 4.28Å; F67-D76 HydrophobicContact CD2-CB 4.14Å; F67-D76 PolarHBondContact N-O 3.4Å; F67-D76 PolarHBondContact O-N 3.26Å; F67-M78 HydrophobicContact CE2-CG 4Å; F67-M78 HydrophobicContact CE2-SD 3.89Å; F67-M78 HydrophobicContact CZ-SD 4.24Å; F67-L87 HydrophobicContact CZ-CD1 3.98Å; F67-K90 HydrophobicContact CE2-CB 4.07Å; F67-K90 HydrophobicContact CE2-CD 4.27Å; F67-K90 HydrophobicContact CZ-CB 4.11Å; F67-I91 HydrophobicContact CE1-CG1 3.89Å; F67-I91 HydrophobicContact CZ-CG1 4.25Å; F67-F94 HydrophobicContact CB-CD2 3.66Å; F67-F94 HydrophobicContact CB-CE2 3.89Å; F67-F94 HydrophobicContact CB-CG 4.32Å; F67-F94 HydrophobicContact CD1-CB 3.91Å; F67-F94 AromaticContact CD1-CD1 3.99Å; F67-F94 HydrophobicContact CD1-CD1 3.99Å; F67-F94 AromaticContact CD1-CD2 3.87Å; F67-F94 HydrophobicContact CD1-CD2 3.87Å; F67-F94 HydrophobicContact CD1-CE1 4.41Å; F67-F94 HydrophobicContact CD1-CE2 4.27Å; F67-F94 AromaticContact CD1-CG 3.67Å; F67-F94 HydrophobicContact CD1-CG 3.67Å; F67-F94 HydrophobicContact CG-CD2 4.24Å; F67-F94 HydrophobicContact CG-CG 4.42Å
68I90.6Very high89.3Confident12 Ų1243.7 Ų43.76%0.06225%0.245CC..EExtended strand (participates in β ladder)trans-116.6127.5-170.2-57.4166.7000109.2K6 A7 C9 F53 Y57 F94K6-I68 CarbonylContact C-O 3.59Å; A7-I68 HydrophobicContact CB-CB 4.22Å; A7-I68 PolarHBondContact N-O 2.91Å; A7-I68 PolarHBondContact O-N 2.99Å; C9-I68 HydrophobicContact CB-CD1 4.38Å; F53-I68 HydrophobicContact CE2-CD1 3.73Å; F53-I68 HydrophobicContact CZ-CD1 3.98Å; Y57-I68 HydrophobicContact CD2-CD1 4.29Å; Y57-I68 HydrophobicContact CE1-CD1 4.5Å; Y57-I68 HydrophobicContact CE2-CD1 3.74Å; Y57-I68 WeakPolarHBondContact OH-CG2 3.37Å; I68-F94 WeakPolarHBondContact O-CE2 3.48Å
69R88.4Confident89.5Confident113 Ų11344.7 Ų44.743%0.42624%0.239SC..  trans-75168.9178-60.4-171.4-54.2-151.40.2111.6D71 G72 G73 Q75R69-D71 WeakPolarHBondContact CB-OD1 3.22Å; R69-D71 IonicContact CZ-OD1 3.52Å; R69-D71 IonicContact CZ-OD2 3.55Å; R69-D71 IonicContact NE-OD1 2.87Å; R69-D71 PolarHBondContact NE-OD1 2.64Å; R69-D71 IonicContact NE-OD2 3.34Å; R69-D71 IonicContact NH2-OD1 3.27Å; R69-D71 PolarHBondContact NH2-OD1 3.4Å; R69-D71 IonicContact NH2-OD2 3.42Å; R69-D71 PolarHBondContact NH2-OD2 2.91Å; R69-D71 PolarHBondContact O-N 3.1Å; R69-G72 PolarHBondContact O-N 2.86Å; R69-G73 PolarHBondContact N-O 2.92Å; R69-Q75 HydrophobicContact CG-CB 3.94Å
70S85.8Confident89.5Confident51 Ų5144 Ų4436%0.35724%0.238SC..THydrogen-bonded Turntrans-58.9-24173.444.40000114.2E5 G72E5-S70 WeakPolarHBondContact O-CA 3.37Å; E5-S70 WeakPolarHBondContact O-CB 3.08Å; S70-G72 VanDerWaalsContact C-N 3.29Å; S70-G72 PolarHBondContact O-N 3.02Å
71D83.6Confident90Very high105 Ų10539.8 Ų39.856%0.56122%0.219SC*.THydrogen-bonded Turntrans-83.52.417575.1-25.2000114.2R69 G73R69-D71 WeakPolarHBondContact CB-OD1 3.22Å; R69-D71 IonicContact CZ-OD1 3.52Å; R69-D71 IonicContact CZ-OD2 3.55Å; R69-D71 IonicContact NE-OD1 2.87Å; R69-D71 PolarHBondContact NE-OD1 2.64Å; R69-D71 IonicContact NE-OD2 3.34Å; R69-D71 IonicContact NH2-OD1 3.27Å; R69-D71 PolarHBondContact NH2-OD1 3.4Å; R69-D71 IonicContact NH2-OD2 3.42Å; R69-D71 PolarHBondContact NH2-OD2 2.91Å; R69-D71 PolarHBondContact O-N 3.1Å; D71-G73 PolarHBondContact O-N 2.9Å; D71-G73 WeakPolarHBondContact OD1-CA 3.32Å; D71-G73 PolarHBondContact OD1-N 2.76Å
72G83.6Confident89.9Confident27 Ų2739.7 Ų39.728%0.27822%0.218SC..SBendtrans77.51.5-173.400000114.2Y57 R69 S70Y57-G72 WeakPolarHBondContact CE1-O 3.33Å; Y57-G72 PolarHBondContact OH-O 3.12Å; Y57-G72 VanDerWaalsContact OH-O 3.1Å; R69-G72 PolarHBondContact O-N 2.86Å; S70-G72 VanDerWaalsContact C-N 3.29Å; S70-G72 PolarHBondContact O-N 3.02Å
73G85.2Confident89.9Confident19 Ų1943.4 Ų43.420%0.19624%0.235CC..  trans-73.4134174.200000112R69 D71 Q75R69-G73 PolarHBondContact N-O 2.92Å; D71-G73 PolarHBondContact O-N 2.9Å; D71-G73 WeakPolarHBondContact OD1-CA 3.32Å; D71-G73 PolarHBondContact OD1-N 2.76Å; G73-Q75 PolarHBondContact O-N 2.96Å
74V90.2Very high89.7Confident61 Ų6145 Ų4537%0.3725%0.245SC..EExtended strand (participates in β ladder)trans-70.5116.9169-176.30000108.7Y57 Y66 V77Y57-V74 HydrophobicContact CD1-CG2 3.31Å; Y57-V74 HydrophobicContact CE1-CG2 3.55Å; Y57-V74 HydrophobicContact CG-CG2 4.3Å; Y66-V74 HydrophobicContact CD1-CG1 4.07Å; Y66-V74 HydrophobicContact CD1-CG2 4.18Å; V74-V77 HydrophobicContact CG1-CG2 3.61Å
75Q89.5Confident89.5Confident46 Ų4651.7 Ų51.722%0.21528%0.276CS..EExtended strand (participates in β ladder)trans-80.5-40.6174.6178.4168.4-1000112F67 R69 G73 K93F67-Q75 HydrophobicContact CB-CB 4.48Å; F67-Q75 WeakPolarHBondContact O-CB 3.42Å; F67-Q75 PolarHBondContact O-N 2.81Å; R69-Q75 HydrophobicContact CG-CB 3.94Å; G73-Q75 PolarHBondContact O-N 2.96Å; Q75-K93 VanDerWaalsContact NE2-C 3.34Å; Q75-K93 PolarHBondContact NE2-O 3.48Å
76D92.3Very high89.4Confident51 Ų5155.1 Ų55.127%0.27329%0.294SS..EExtended strand (participates in β ladder)trans-161.2160.2-178.9-155.9-13.4000111.1F67 K90F67-D76 HydrophobicContact CB-CB 4.28Å; F67-D76 HydrophobicContact CD2-CB 4.14Å; F67-D76 PolarHBondContact N-O 3.4Å; F67-D76 PolarHBondContact O-N 3.26Å; D76-K90 IonicContact OD1-NZ 3.58Å; D76-K90 PolarHBondContact OD1-NZ 3.37Å; D76-K90 VanDerWaalsContact OD2-CD 3.24Å; D76-K90 WeakPolarHBondContact OD2-CD 3.35Å; D76-K90 VanDerWaalsContact OD2-CE 3.31Å; D76-K90 WeakPolarHBondContact OD2-CE 3Å; D76-K90 WeakPolarHBondContact OD2-CG 3.32Å; D76-K90 IonicContact OD2-NZ 2.73Å; D76-K90 PolarHBondContact OD2-NZ 2.95Å
77V92.5Very high89.2Confident41 Ų4154.7 Ų54.725%0.24829%0.293CS..EExtended strand (participates in β ladder)trans-132.7139.1174.2-172.70000109.6T65 Y66 V74 K90T65-V77 CarbonylContact O-C 3.55Å; T65-V77 WeakPolarHBondContact O-CA 3.48Å; Y66-V77 HydrophobicContact CD1-CG1 4.47Å; Y66-V77 HydrophobicContact CD1-CG2 3.68Å; Y66-V77 HydrophobicContact CD2-CG1 4.25Å; Y66-V77 HydrophobicContact CE1-CG1 4.17Å; Y66-V77 HydrophobicContact CE1-CG2 3.6Å; Y66-V77 HydrophobicContact CE2-CG1 3.9Å; Y66-V77 HydrophobicContact CG-CG1 4.48Å; Y66-V77 HydrophobicContact CG-CG2 4.28Å; V74-V77 HydrophobicContact CG1-CG2 3.61Å; V77-K90 PolarHBondContact O-NZ 3.48Å
78M92.1Very high89.2Confident13 Ų1356.8 Ų56.86%0.06430%0.303CS..EExtended strand (participates in β ladder)trans-108.2142.2165.3-63.2-179.395.800109S64 T65 F67 C82 D86 L87 K90S64-M78 CarbonylContact C-O 3.53Å; S64-M78 WeakPolarHBondContact CA-O 3.39Å; S64-M78 VanDerWaalsContact CB-O 3.24Å; S64-M78 WeakPolarHBondContact CB-O 3.43Å; T65-M78 PolarHBondContact N-O 3.11Å; T65-M78 PolarHBondContact O-N 3.02Å; F67-M78 HydrophobicContact CE2-CG 4Å; F67-M78 HydrophobicContact CE2-SD 3.89Å; F67-M78 HydrophobicContact CZ-SD 4.24Å; M78-C82 HydrophobicContact CE-CB 3.61Å; M78-C82 WeakPolarHBondContact CE-SG 3.5Å; M78-D86 HydrophobicContact CE-CB 4.11Å; M78-L87 HydrophobicContact CE-CB 4.09Å; M78-L87 HydrophobicContact CE-CD1 4.3Å; M78-L87 HydrophobicContact SD-CB 4.44Å; M78-L87 HydrophobicContact SD-CD1 3.54Å; M78-L87 VanDerWaalsContact SD-CD1 3.54Å; M78-K90 HydrophobicContact CE-CD 3.91Å; M78-K90 HydrophobicContact CG-CD 3.36Å; M78-K90 HydrophobicContact SD-CD 3.66Å
79K91.5Very high89.2Confident121 Ų12161 Ų6153%0.52632%0.322SS..EExtended strand (participates in β ladder)trans-124.5134.8178.5-60.8-176.4-179.8-1790108.2S61S61-K79 WeakPolarHBondContact OG-CB 3.26Å; S61-K79 WeakPolarHBondContact OG-CG 3.33Å
80G88.5Confident89.3Confident16 Ų1657.6 Ų57.617%0.16531%0.31CS..SBendtrans68-172.9-178.800000114V20 P63V20-G80 WeakPolarHBondContact CG2-O 3.38Å; P63-G80 PolarHBondContact O-N 2.94Å
81P87.5Confident89.6Confident42 Ų4255.2 Ų55.227%0.27329%0.293SS..  trans-58.7155.8164.5-22.935.4000113.1E16 E19 V20E16-P81 HydrophobicContact CB-CG 3.92Å; E16-P81 HydrophobicContact CG-CG 4.18Å; E16-P81 WeakPolarHBondContact OE2-CD 3.26Å; E19-P81 HydrophobicContact CB-CG 4.47Å; E19-P81 VanDerWaalsContact CD-CB 3.45Å; E19-P81 HydrophobicContact CG-CB 4.16Å; E19-P81 WeakPolarHBondContact OE1-CB 3.25Å; E19-P81 WeakPolarHBondContact OE2-CB 3.37Å; E19-P81 WeakPolarHBondContact OE2-CG 3.37Å; V20-P81 HydrophobicContact CG2-CG 4.48Å
82C86.4Confident89.9Confident32 Ų3254.4 Ų54.422%0.21629%0.285CS..  trans-154.3158.6-177.4590000110.4M78M78-C82 HydrophobicContact CE-CB 3.61Å; M78-C82 WeakPolarHBondContact CE-SG 3.5Å
83K88.9Confident90.1Very high145 Ų14557.1 Ų57.163%0.6329%0.289SS*.  trans-71.5153.2176-62.6179.2178.8179.10110.2E85 D86 L87K83-E85 PolarHBondContact O-N 2.89Å; K83-E85 VanDerWaalsContact O-N 3.15Å; K83-D86 WeakPolarHBondContact CB-OD2 3.47Å; K83-D86 PolarHBondContact N-OD2 2.79Å; K83-D86 PolarHBondContact O-N 3.04Å; K83-L87 PolarHBondContact O-N 2.95Å
84T89.6Confident90.2Very high36 Ų3656.4 Ų56.422%0.22128%0.281CS..Hα-helixtrans-52.3-39.2174.9-55.60000111.9Q23 I29 L87 Q88Q23-T84 VanDerWaalsContact CD-CA 3.45Å; Q23-T84 PolarHBondContact NE2-OG1 2.99Å; Q23-T84 PolarHBondContact OE1-OG1 3.41Å; I29-T84 HydrophobicContact CD1-CG2 4.42Å; T84-L87 PolarHBondContact O-N 2.92Å; T84-Q88 HydrophobicContact CG2-CG 4.35Å; T84-Q88 VanDerWaalsContact O-CG 3.31Å; T84-Q88 WeakPolarHBondContact O-CG 3.41Å; T84-Q88 PolarHBondContact O-N 2.71Å
85E91.2Very high89.9Confident142 Ų14255.3 Ų55.366%0.66427%0.274SS*.Hα-helixtrans-64.1-45.5-177.5-65.8167.4-176.500112.4K83 L87 Q88 E89K83-E85 PolarHBondContact O-N 2.89Å; K83-E85 VanDerWaalsContact O-N 3.15Å; E85-L87 VanDerWaalsContact C-N 3.31Å; E85-L87 PolarHBondContact O-N 3.24Å; E85-Q88 WeakPolarHBondContact O-CB 3.18Å; E85-Q88 PolarHBondContact O-N 2.98Å; E85-E89 PolarHBondContact O-N 3.13Å
86D91.6Very high89.3Confident74 Ų7459.9 Ų59.940%0.39630%0.296SS..Hα-helixtrans-61.2-42.2177.8-53.4-40.6000110.9M78 K83 E89 K90M78-D86 HydrophobicContact CE-CB 4.11Å; K83-D86 WeakPolarHBondContact CB-OD2 3.47Å; K83-D86 PolarHBondContact N-OD2 2.79Å; K83-D86 PolarHBondContact O-N 3.04Å; D86-E89 PolarHBondContact O-N 2.78Å; D86-K90 PolarHBondContact O-N 2.84Å; D86-K90 VanDerWaalsContact O-N 3.08Å
87L91.9Very high87.9Confident1 Ų164 Ų641%0.00531%0.311CS..Hα-helixtrans-66.7-42.1177.2-179.159.9000111.6Q23 W24 I29 F67 M78 K83 T84 E85 E89 K90 I91Q23-L87 HydrophobicContact CG-CD2 3.88Å; W24-L87 HydrophobicContact CD2-CD2 4.2Å; W24-L87 HydrophobicContact CE3-CD2 4.45Å; W24-L87 HydrophobicContact CH2-CD1 3.67Å; W24-L87 HydrophobicContact CZ2-CD1 3.49Å; W24-L87 VanDerWaalsContact CZ2-CD1 3.49Å; W24-L87 HydrophobicContact CZ2-CD2 4.36Å; W24-L87 HydrophobicContact CZ3-CD1 4.37Å; I29-L87 HydrophobicContact CD1-CB 4.23Å; I29-L87 HydrophobicContact CD1-CD2 3.82Å; I29-L87 HydrophobicContact CD1-CG 3.8Å; I29-L87 HydrophobicContact CG1-CD2 3.95Å; I29-L87 HydrophobicContact CG1-CG 4.48Å; I29-L87 HydrophobicContact CG2-CD2 4.3Å; F67-L87 HydrophobicContact CZ-CD1 3.98Å; M78-L87 HydrophobicContact CE-CB 4.09Å; M78-L87 HydrophobicContact CE-CD1 4.3Å; M78-L87 HydrophobicContact SD-CB 4.44Å; M78-L87 HydrophobicContact SD-CD1 3.54Å; M78-L87 VanDerWaalsContact SD-CD1 3.54Å; K83-L87 PolarHBondContact O-N 2.95Å; T84-L87 PolarHBondContact O-N 2.92Å; E85-L87 VanDerWaalsContact C-N 3.31Å; E85-L87 PolarHBondContact O-N 3.24Å; L87-E89 VanDerWaalsContact C-N 3.33Å; L87-E89 PolarHBondContact O-N 2.68Å; L87-K90 PolarHBondContact O-N 3.27Å; L87-I91 HydrophobicContact CD1-CD1 3.97Å; L87-I91 HydrophobicContact CD1-CG1 4.27Å; L87-I91 HydrophobicContact CG-CD1 3.91Å; L87-I91 WeakPolarHBondContact O-CB 3.47Å; L87-I91 VanDerWaalsContact O-CG1 3.3Å; L87-I91 WeakPolarHBondContact O-CG1 3.46Å; L87-I91 PolarHBondContact O-N 2.69Å
88Q92.1Very high86Confident45 Ų4572.6 Ų72.621%0.2134%0.339CS..Hα-helixtrans-59.8-42.7174-73.8-175.62500111.9I29 L32 T84 E85 I91 K92I29-Q88 HydrophobicContact CD1-CB 4.49Å; I29-Q88 HydrophobicContact CD1-CG 3.6Å; L32-Q88 HydrophobicContact CD1-CB 3.87Å; L32-Q88 HydrophobicContact CD1-CG 3.69Å; T84-Q88 HydrophobicContact CG2-CG 4.35Å; T84-Q88 VanDerWaalsContact O-CG 3.31Å; T84-Q88 WeakPolarHBondContact O-CG 3.41Å; T84-Q88 PolarHBondContact O-N 2.71Å; E85-Q88 WeakPolarHBondContact O-CB 3.18Å; E85-Q88 PolarHBondContact O-N 2.98Å; Q88-I91 PolarHBondContact O-N 2.77Å; Q88-K92 VanDerWaalsContact O-CG 3.32Å; Q88-K92 WeakPolarHBondContact O-CG 3.46Å; Q88-K92 PolarHBondContact O-N 2.8Å
89E91.1Very high83.6Confident99 Ų9976.4 Ų76.446%0.46336%0.364SS..Hα-helixtrans-64.7-44.9-179.6-157.1-149.7-178.900111.5E85 D86 L87 K92 K93E85-E89 PolarHBondContact O-N 3.13Å; D86-E89 PolarHBondContact O-N 2.78Å; L87-E89 VanDerWaalsContact C-N 3.33Å; L87-E89 PolarHBondContact O-N 2.68Å; E89-K92 PolarHBondContact O-N 3.33Å; E89-K93 VanDerWaalsContact CD-CE 3.45Å; E89-K93 WeakPolarHBondContact O-CG 3.35Å; E89-K93 PolarHBondContact O-N 2.96Å; E89-K93 WeakPolarHBondContact OE1-CE 3.27Å; E89-K93 IonicContact OE1-NZ 2.68Å; E89-K93 PolarHBondContact OE1-NZ 2.96Å; E89-K93 IonicContact OE2-NZ 3.24Å; E89-K93 PolarHBondContact OE2-NZ 3.46Å
90K91.2Very high81.1Confident42 Ų4279.1 Ų79.118%0.18338%0.384CS..Hα-helixtrans-64.6-39.4175.9-70.9-175.2-176.5-118.40112.3F67 D76 V77 M78 D86 L87 K93 F94F67-K90 HydrophobicContact CE2-CB 4.07Å; F67-K90 HydrophobicContact CE2-CD 4.27Å; F67-K90 HydrophobicContact CZ-CB 4.11Å; D76-K90 IonicContact OD1-NZ 3.58Å; D76-K90 PolarHBondContact OD1-NZ 3.37Å; D76-K90 VanDerWaalsContact OD2-CD 3.24Å; D76-K90 WeakPolarHBondContact OD2-CD 3.35Å; D76-K90 VanDerWaalsContact OD2-CE 3.31Å; D76-K90 WeakPolarHBondContact OD2-CE 3Å; D76-K90 WeakPolarHBondContact OD2-CG 3.32Å; D76-K90 IonicContact OD2-NZ 2.73Å; D76-K90 PolarHBondContact OD2-NZ 2.95Å; V77-K90 PolarHBondContact O-NZ 3.48Å; M78-K90 HydrophobicContact CE-CD 3.91Å; M78-K90 HydrophobicContact CG-CD 3.36Å; M78-K90 HydrophobicContact SD-CD 3.66Å; D86-K90 PolarHBondContact O-N 2.84Å; D86-K90 VanDerWaalsContact O-N 3.08Å; L87-K90 PolarHBondContact O-N 3.27Å; K90-K93 PolarHBondContact O-N 3.38Å; K90-F94 VanDerWaalsContact O-CB 3.23Å; K90-F94 WeakPolarHBondContact O-CB 3.46Å; K90-F94 PolarHBondContact O-N 3.42Å
91I91Very high78.5Confident1 Ų183.7 Ų83.71%0.00541%0.413CS..Hα-helixtrans-64.4-42.6174.6-71.7170.2000111.8W24 I29 L32 L33 F67 L87 Q88 F94 V95W24-I91 HydrophobicContact CH2-CD1 3.94Å; W24-I91 HydrophobicContact CH2-CG1 4.29Å; W24-I91 HydrophobicContact CZ3-CD1 3.7Å; W24-I91 HydrophobicContact CZ3-CG1 4.44Å; I29-I91 HydrophobicContact CD1-CD1 4.13Å; I29-I91 HydrophobicContact CG2-CD1 3.64Å; L32-I91 HydrophobicContact CB-CG2 3.94Å; L32-I91 HydrophobicContact CD1-CG2 4.34Å; L33-I91 HydrophobicContact CD1-CD1 4.27Å; L33-I91 HydrophobicContact CD2-CG2 3.82Å; L33-I91 HydrophobicContact CG-CG2 4.06Å; F67-I91 HydrophobicContact CE1-CG1 3.89Å; F67-I91 HydrophobicContact CZ-CG1 4.25Å; L87-I91 HydrophobicContact CD1-CD1 3.97Å; L87-I91 HydrophobicContact CD1-CG1 4.27Å; L87-I91 HydrophobicContact CG-CD1 3.91Å; L87-I91 WeakPolarHBondContact O-CB 3.47Å; L87-I91 VanDerWaalsContact O-CG1 3.3Å; L87-I91 WeakPolarHBondContact O-CG1 3.46Å; L87-I91 PolarHBondContact O-N 2.69Å; Q88-I91 PolarHBondContact O-N 2.77Å; I91-F94 WeakPolarHBondContact O-CB 3.44Å; I91-F94 PolarHBondContact O-N 3.26Å; I91-V95 HydrophobicContact CG2-CG2 4.29Å; I91-V95 WeakPolarHBondContact O-CB 3.33Å; I91-V95 WeakPolarHBondContact O-CG2 3.39Å; I91-V95 PolarHBondContact O-N 2.8Å
92K89.9Confident75.7Confident89 Ų8989.6 Ų89.639%0.38744%0.443SS..Hα-helixtrans-58.3-51.4174.2-72.9168.2-176.5171.60110.8L32 Q88 E89 F94 V95 E96L32-K92 HydrophobicContact CD2-CG 4.35Å; Q88-K92 VanDerWaalsContact O-CG 3.32Å; Q88-K92 WeakPolarHBondContact O-CG 3.46Å; Q88-K92 PolarHBondContact O-N 2.8Å; E89-K92 PolarHBondContact O-N 3.33Å; K92-F94 VanDerWaalsContact C-N 3.29Å; K92-F94 PolarHBondContact O-N 3.21Å; K92-V95 PolarHBondContact O-N 3.49Å; K92-E96 WeakPolarHBondContact O-CB 3.4Å; K92-E96 WeakPolarHBondContact O-CG 3.3Å; K92-E96 PolarHBondContact O-N 2.86Å
93K88.1Confident73.2Confident84 Ų8495 Ų9537%0.36547%0.474SS..Hα-helixtrans-56.9-39.8175.5-71.1168.9-179.1168.10112.6Q75 E89 K90 K97Q75-K93 VanDerWaalsContact NE2-C 3.34Å; Q75-K93 PolarHBondContact NE2-O 3.48Å; E89-K93 VanDerWaalsContact CD-CE 3.45Å; E89-K93 WeakPolarHBondContact O-CG 3.35Å; E89-K93 PolarHBondContact O-N 2.96Å; E89-K93 WeakPolarHBondContact OE1-CE 3.27Å; E89-K93 IonicContact OE1-NZ 2.68Å; E89-K93 PolarHBondContact OE1-NZ 2.96Å; E89-K93 IonicContact OE2-NZ 3.24Å; E89-K93 PolarHBondContact OE2-NZ 3.46Å; K90-K93 PolarHBondContact O-N 3.38Å; K93-K97 WeakPolarHBondContact O-CG 3.29Å
94F87.8Confident70.3Confident3 Ų391 Ų911%0.01347%0.474CS..Hα-helixtrans-66.7-43.6178.6179.3-115.3000112.6K6 A7 I8 F67 I68 K90 I91 K92K6-F94 HydrophobicContact CB-CE1 3.9Å; K6-F94 HydrophobicContact CB-CE2 3.78Å; K6-F94 HydrophobicContact CB-CZ 3.3Å; K6-F94 HydrophobicContact CD-CD2 4.47Å; K6-F94 HydrophobicContact CD-CE2 4.24Å; K6-F94 HydrophobicContact CD-CZ 4.31Å; K6-F94 WeakPolarHBondContact CD-O 3.32Å; K6-F94 HydrophobicContact CG-CZ 4.38Å; K6-F94 PolarHBondContact NZ-O 3.31Å; A7-F94 WeakPolarHBondContact O-CZ 3.3Å; I8-F94 HydrophobicContact CD1-CD1 4.12Å; I8-F94 HydrophobicContact CD1-CE1 3.73Å; I8-F94 HydrophobicContact CG1-CD1 4.16Å; I8-F94 HydrophobicContact CG1-CE1 3.42Å; I8-F94 VanDerWaalsContact CG1-CE1 3.42Å; I8-F94 HydrophobicContact CG1-CZ 3.75Å; F67-F94 HydrophobicContact CB-CD2 3.66Å; F67-F94 HydrophobicContact CB-CE2 3.89Å; F67-F94 HydrophobicContact CB-CG 4.32Å; F67-F94 HydrophobicContact CD1-CB 3.91Å; F67-F94 AromaticContact CD1-CD1 3.99Å; F67-F94 HydrophobicContact CD1-CD1 3.99Å; F67-F94 AromaticContact CD1-CD2 3.87Å; F67-F94 HydrophobicContact CD1-CD2 3.87Å; F67-F94 HydrophobicContact CD1-CE1 4.41Å; F67-F94 HydrophobicContact CD1-CE2 4.27Å; F67-F94 AromaticContact CD1-CG 3.67Å; F67-F94 HydrophobicContact CD1-CG 3.67Å; F67-F94 HydrophobicContact CG-CD2 4.24Å; F67-F94 HydrophobicContact CG-CG 4.42Å; I68-F94 WeakPolarHBondContact O-CE2 3.48Å; K90-F94 VanDerWaalsContact O-CB 3.23Å; K90-F94 WeakPolarHBondContact O-CB 3.46Å; K90-F94 PolarHBondContact O-N 3.42Å; I91-F94 WeakPolarHBondContact O-CB 3.44Å; I91-F94 PolarHBondContact O-N 3.26Å; K92-F94 VanDerWaalsContact C-N 3.29Å; K92-F94 PolarHBondContact O-N 3.21Å
95V84.1Confident67.6Low38 Ų3894.8 Ų94.823%0.2350%0.502CS..Hα-helixtrans-74.9-45.5-178.7170.70000111.9K6 L33 K36 I91 K92K6-V95 PolarHBondContact NZ-O 2.99Å; L33-V95 HydrophobicContact CD2-CG2 4.4Å; K36-V95 HydrophobicContact CD-CG1 3.64Å; K36-V95 HydrophobicContact CG-CG1 4.08Å; K36-V95 HydrophobicContact CG-CG2 4.21Å; I91-V95 HydrophobicContact CG2-CG2 4.29Å; I91-V95 WeakPolarHBondContact O-CB 3.33Å; I91-V95 WeakPolarHBondContact O-CG2 3.39Å; I91-V95 PolarHBondContact O-N 2.8Å; K92-V95 PolarHBondContact O-N 3.49Å
96E76.2Confident64.5Low143 Ų14393.4 Ų93.467%0.66850%0.504SS*.Hα-helixtrans-78.4-29.4-166.9-70.9172.8-179.900115K92 R98K92-E96 WeakPolarHBondContact O-CB 3.4Å; K92-E96 WeakPolarHBondContact O-CG 3.3Å; K92-E96 PolarHBondContact O-N 2.86Å; E96-R98 PolarHBondContact O-N 3.48Å
97K62.3Low61.8Low138 Ų13897.4 Ų97.460%0.652%0.52SS*.  trans-68.5108.2-178.8-72.2-170.1-178.6-175.40111.3K6 K93K6-K97 PolarHBondContact NZ-O 2.6Å; K93-K97 WeakPolarHBondContact O-CG 3.29Å
98R52.9Low58.8Low221 Ų221102.4 Ų102.483%0.83455%0.55SS**  trans-73.2152.9157.3-65.1-178-174.1167.12.7109.5E96 L100E96-R98 PolarHBondContact O-N 3.48Å; R98-L100 PolarHBondContact O-N 3.09Å
99P42.2Very low55.9Low92 Ų92105.7 Ų105.760%0.59758%0.578SS**  trans-64.5128.1172.926.7-33.4000110.6S101P99-S101 PolarHBondContact O-N 2.99Å
100L38Very low53.1Low178 Ų178108.4 Ų108.493%0.93259%0.59SS**  trans-75115.4170.8-82.1155.2000108.9R98R98-L100 PolarHBondContact O-N 3.09Å
101S33.7Very low50.4Low113 Ų113114.7 Ų114.779%0.7963%0.625SS**  trans-70139.6172.952.10000112P99 V103P99-S101 PolarHBondContact O-N 2.99Å; S101-V103 PolarHBondContact O-N 3.13Å
102N29.4Very low47.9Very low166 Ų166119.9 Ų119.989%0.88866%0.659SS**  trans-31.7115.1174.3-86.1-7.3000116.6
103V34.5Very low45.1Very low145 Ų145124.6 Ų124.688%0.87968%0.682SS**  -151.1123.3128.5-176.60000102.9S101S101-V103 PolarHBondContact O-N 3.13Å
104G28.6Very low42.6Very low60 Ų60125.1 Ų125.162%0.61970%0.696SS**  cis113.4131.745.500000107.2
105S31Very low40.2Very low116 Ų116134.1 Ų134.181%0.81174%0.738SS**  trans70.1107.6176.3-58.50000117.5
106T27.2Very low37.8Very low114 Ų114138 Ų13870%0.69976%0.762SS**  79.2137.284.619.90000117.8
107H34.1Very low36.3Very low158 Ų158139.1 Ų139.173%0.73177%0.772SS**  trans81.7112153.8-65.1-55.8000122
108T30Very low35.3Very low106 Ų106137.8 Ų137.865%0.6578%0.777SS**  67.5102.8128.460.30000121.4H110T108-H110 PolarHBondContact O-ND1 3.47Å
109S31.5Very low34.8Very low113 Ų113135 Ų13579%0.7978%0.779SS**  trans59.5-165.1146.665.10000114.7
110H32.4Very low34.7Very low157 Ų157136.1 Ų136.173%0.72778%0.779SS**  cis-150.3160.92.824-77.1000111.1T108T108-H110 PolarHBondContact O-ND1 3.47Å
111L34.3Very low34.9Very low173 Ų173136.2 Ų136.291%0.90677%0.772SS**  trans-108.1143.2168.6-78.3160.2000109.7
112P36.8Very low35Very low111 Ų111135 Ų13572%0.72178%0.777SS**  -133.5136.3129.331.7-18.1000111.3
113H32Very low35.2Very low188 Ų188130.5 Ų130.587%0.8777%0.77SS**  92.2138.263.6-124.6-64.8000113.9
114S36.1Very low35.8Very low95 Ų95129.3 Ų129.366%0.66477%0.768SS**  trans-68.7156.7-165.5-38.30000118.4
115E37.5Very low36.5Very low192 Ų192130.5 Ų130.590%0.89777%0.767SS**  trans-162.9120.4144.3-100.1167.1-178.100104.7
116V33.8Very low37.2Very low119 Ų119132.8 Ų132.872%0.72177%0.771SS**  cis61.298.345.1-169.10000114.2
117L43.9Very low37.9Very low167 Ų167133.4 Ų133.487%0.87477%0.774SS**  178.8142.4129.6-97.2163.5000112.1
118P42.1Very low38.7Very low110 Ų110135.3 Ų135.371%0.71479%0.785SS**  trans-113.5151.3175.939.3-30.1000114.6
119N40.9Very low39.1Very low163 Ų163138.5 Ų138.587%0.87279%0.793SS**  trans173.5162.5161-107.24.2000107.9
120D39.9Very low39.7Very low114 Ų114138.9 Ų138.961%0.6180%0.796SS**  cis-173.4163-23.7179.322000107.2
121K43Very low40.1Very low181 Ų181139 Ų13979%0.78780%0.796SS**  trans75.7128.5162.3-45.4-163.1-179.4-177.10121.9
122G35.1Very low40.7Very low86 Ų86139 Ų13989%0.88779%0.792SS**  trans104.3122.2142.300000115.3
123G35.2Very low40.7Very low72 Ų72139.4 Ų139.474%0.74279%0.792SS**  cis149.4141.6-6.800000111.7
124S45.6Very low41Very low120 Ų120134 Ų13484%0.83979%0.787SS**  trans64.6149.3174.9-127.70000115.2
125S44.7Very low41.7Very low86 Ų86134.1 Ų134.160%0.60178%0.784SS**  cis-169.1151.8-18.2290000106.2
126D45.3Very low42.2Very low164 Ų164133.6 Ų133.688%0.87778%0.781SS**  -173151.9124.9-94.4-19.4000112.3
127V40.9Very low43Very low127 Ų127134.4 Ų134.477%0.7778%0.782SS**  trans-107.9133.7-170.3172.30000108.9
128M51Low43.3Very low197 Ų197132 Ų13297%0.9777%0.769SS**  trans-149.8145139.7-125.4174.2-17700113
129E38.1Very low43.8Very low173 Ų173130.8 Ų130.881%0.80876%0.757SS**  trans-109.4140.2-162.2175.6175.3-157.700109.6
130S44Very low44.4Very low122 Ų122129.3 Ų129.385%0.85375%0.748SS**  trans-157.1136.2161.4-159.50000110.8
131E41.4Very low45.1Very low158 Ų158134.4 Ų134.474%0.73876%0.759SS**  trans-91.6149.2-167.1-54.8164.69500112.9
132H47.3Very low45.9Very low174 Ų174129 Ų12981%0.80674%0.744SS**  trans-177.5102.6134.8-94.5-14000109
133T37.2Very low47.3Very low120 Ų120131.1 Ų131.174%0.73673%0.729SS**  66.3108.786.861.30000115.2
134G38.7Very low49.2Very low73 Ų73129.9 Ų129.975%0.75371%0.711SS**  trans85.7130.3178.900000112.3
135T50.1Low50.7Low99 Ų99125.8 Ų125.861%0.60769%0.689SS**  cis-146.4105.521.9-66.30000110.2N137T135-N137 PolarHBondContact O-N 3.47Å
136Q47Very low52.5Low180 Ų180124 Ų12484%0.84168%0.679SS**THydrogen-bonded Turntrans-7687.3172.8-70.11801.900110
137N51.1Low54.2Low137 Ų137121.3 Ų121.373%0.73366%0.664SS**THydrogen-bonded Turntrans-170.2-23.5154.8-93.9-34.1000113.2T135T135-N137 PolarHBondContact O-N 3.47Å
138D49.9Very low56.4Low115 Ų115121.2 Ų121.262%0.61566%0.655SS**THydrogen-bonded Turntrans-79.8-21.2-179.3-63.3-57.4000114I140 R141 S142D138-I140 VanDerWaalsContact C-N 3.26Å; D138-I140 PolarHBondContact O-N 3.16Å; D138-R141 PolarHBondContact O-N 3.31Å; D138-S142 PolarHBondContact O-N 3.4Å; D138-S142 PolarHBondContact O-OG 3.32Å
139D53.7Low58Low86 Ų86114.9 Ų114.946%0.4663%0.634SS.*Hα-helixtrans-61.3-24.7-177.3-84.6-36.4000115.3S142 K143D139-S142 WeakPolarHBondContact CA-OG 3.5Å; D139-S142 PolarHBondContact O-OG 3Å; D139-K143 WeakPolarHBondContact O-CB 3.47Å; D139-K143 VanDerWaalsContact O-CD 3.29Å; D139-K143 WeakPolarHBondContact O-CD 3.49Å; D139-K143 WeakPolarHBondContact O-CG 3.44Å; D139-K143 PolarHBondContact O-N 2.99Å
140I52.4Low60.3Low131 Ų131113.6 Ų113.667%0.67263%0.626SS**Hα-helixtrans-80-38.7-177.2-56.9179.3000110D138 A144D138-I140 VanDerWaalsContact C-N 3.26Å; D138-I140 PolarHBondContact O-N 3.16Å; I140-A144 PolarHBondContact O-N 3.32Å; I140-A144 VanDerWaalsContact O-N 3.09Å
141R54.5Low62.6Low221 Ų221114.5 Ų114.583%0.83462%0.616SS**Hα-helixtrans-73.7-37.5179.9-167.4174.2-176.2178.50.3111.9D138 A144 G145D138-R141 PolarHBondContact O-N 3.31Å; R141-A144 PolarHBondContact O-N 3.44Å; R141-G145 PolarHBondContact O-N 2.9Å
142S60.1Low65Low69 Ų69110.8 Ų110.848%0.48360%0.604SS.*Hα-helixtrans-65.6-40.5174.163.10000112.1D138 D139 A146D138-S142 PolarHBondContact O-N 3.4Å; D138-S142 PolarHBondContact O-OG 3.32Å; D139-S142 WeakPolarHBondContact CA-OG 3.5Å; D139-S142 PolarHBondContact O-OG 3Å; S142-A146 VanDerWaalsContact O-CB 3.26Å; S142-A146 WeakPolarHBondContact O-CB 3.33Å; S142-A146 PolarHBondContact O-N 2.88Å
143K65.9Low67Low129 Ų129106.5 Ų106.556%0.56159%0.587SS**Hα-helixtrans-65.4-39.6175.1-75.9171.3-172.2165.80113.1D139 A146 L147D139-K143 WeakPolarHBondContact O-CB 3.47Å; D139-K143 VanDerWaalsContact O-CD 3.29Å; D139-K143 WeakPolarHBondContact O-CD 3.49Å; D139-K143 WeakPolarHBondContact O-CG 3.44Å; D139-K143 PolarHBondContact O-N 2.99Å; K143-A146 PolarHBondContact O-N 3.15Å; K143-L147 WeakPolarHBondContact O-CG 3.32Å; K143-L147 PolarHBondContact O-N 2.71Å; K143-L147 VanDerWaalsContact O-N 3.09Å
144A74.6Confident69.6Low46 Ų46105.4 Ų105.438%0.3857%0.574SS.*Hα-helixtrans-60.9-54175.900000111.7I140 R141 A146 L147 E148I140-A144 PolarHBondContact O-N 3.32Å; I140-A144 VanDerWaalsContact O-N 3.09Å; R141-A144 PolarHBondContact O-N 3.44Å; A144-A146 VanDerWaalsContact C-N 3.29Å; A144-A146 PolarHBondContact O-N 3.24Å; A144-L147 PolarHBondContact O-N 3.35Å; A144-E148 PolarHBondContact O-N 3.21Å
145G77.2Confident72.1Confident35 Ų35106.6 Ų106.636%0.36156%0.559SS.*Hα-helixtrans-62-34.3178.100000113.5R141 L147 E148 A149R141-G145 PolarHBondContact O-N 2.9Å; G145-L147 VanDerWaalsContact C-N 3.32Å; G145-L147 PolarHBondContact O-N 2.94Å; G145-E148 PolarHBondContact O-N 2.85Å; G145-A149 VanDerWaalsContact O-CB 3.3Å; G145-A149 WeakPolarHBondContact O-CB 3.05Å; G145-A149 PolarHBondContact O-N 3.41Å
146A81.4Confident74Confident49 Ų49106.7 Ų106.741%0.40556%0.555SS.*Hα-helixtrans-70-24.7175.200000113.8S142 K143 A144 K150S142-A146 VanDerWaalsContact O-CB 3.26Å; S142-A146 WeakPolarHBondContact O-CB 3.33Å; S142-A146 PolarHBondContact O-N 2.88Å; K143-A146 PolarHBondContact O-N 3.15Å; A144-A146 VanDerWaalsContact C-N 3.29Å; A144-A146 PolarHBondContact O-N 3.24Å; A146-K150 WeakPolarHBondContact O-CD 3.49Å; A146-K150 VanDerWaalsContact O-CG 3.25Å; A146-K150 WeakPolarHBondContact O-CG 3.38Å
147L81.2Confident76.2Confident106 Ų106104.7 Ų104.756%0.55554%0.54SS*.Hα-helixtrans-78.7-44.5172.5-72.5168.4000111K143 A144 G145 K150 Q151K143-L147 WeakPolarHBondContact O-CG 3.32Å; K143-L147 PolarHBondContact O-N 2.71Å; K143-L147 VanDerWaalsContact O-N 3.09Å; A144-L147 PolarHBondContact O-N 3.35Å; G145-L147 VanDerWaalsContact C-N 3.32Å; G145-L147 PolarHBondContact O-N 2.94Å; L147-K150 PolarHBondContact O-N 3.3Å; L147-Q151 WeakPolarHBondContact O-CG 3.5Å; L147-Q151 PolarHBondContact O-N 2.81Å
148E86.8Confident78.2Confident126 Ų126101.2 Ų101.259%0.58952%0.523SS*.Hα-helixtrans-60.1-47.8175.6-69.6173.1-178.300111.5A144 G145 K150 Q151 V152A144-E148 PolarHBondContact O-N 3.21Å; G145-E148 PolarHBondContact O-N 2.85Å; E148-K150 VanDerWaalsContact C-N 3.26Å; E148-K150 PolarHBondContact O-N 3.19Å; E148-Q151 PolarHBondContact O-N 2.96Å; E148-Q151 VanDerWaalsContact O-N 3.08Å; E148-V152 WeakPolarHBondContact O-CG2 3.36Å; E148-V152 PolarHBondContact O-N 2.87Å
149A84.6Confident80.2Confident63 Ų63101.4 Ų101.452%0.52152%0.519SS..Hα-helixtrans-60.2-34.2177.700000113.1G145 L153G145-A149 VanDerWaalsContact O-CB 3.3Å; G145-A149 WeakPolarHBondContact O-CB 3.05Å; G145-A149 PolarHBondContact O-N 3.41Å; A149-L153 VanDerWaalsContact O-CB 3.31Å; A149-L153 WeakPolarHBondContact O-CB 3.37Å; A149-L153 PolarHBondContact O-N 3.01Å
150K88.2Confident82Confident147 Ų147103.7 Ų103.764%0.63953%0.525SS*.Hα-helixtrans-69.9-39.2174.3-76.8174-177.3-178.90112.2A146 L147 E148 E154A146-K150 WeakPolarHBondContact O-CD 3.49Å; A146-K150 VanDerWaalsContact O-CG 3.25Å; A146-K150 WeakPolarHBondContact O-CG 3.38Å; L147-K150 PolarHBondContact O-N 3.3Å; E148-K150 VanDerWaalsContact C-N 3.26Å; E148-K150 PolarHBondContact O-N 3.19Å; K150-E154 WeakPolarHBondContact O-CB 3.43Å; K150-E154 PolarHBondContact O-N 3.27Å
151Q91.3Very high84Confident140 Ų14099.6 Ų99.665%0.65451%0.511SS*.Hα-helixtrans-64.8-47.3176.1-70.2175.98.800111.2L147 E148 L153 E154 E155L147-Q151 WeakPolarHBondContact O-CG 3.5Å; L147-Q151 PolarHBondContact O-N 2.81Å; E148-Q151 PolarHBondContact O-N 2.96Å; E148-Q151 VanDerWaalsContact O-N 3.08Å; Q151-L153 PolarHBondContact O-N 3.04Å; Q151-E154 PolarHBondContact O-N 2.84Å; Q151-E155 PolarHBondContact O-N 3.22Å
152V91Very high85.8Confident80 Ų8094.7 Ų94.749%0.48550%0.497SS..Hα-helixtrans-61.6-42.8177.2174.50000111.5E148 E154 E155 I156E148-V152 WeakPolarHBondContact O-CG2 3.36Å; E148-V152 PolarHBondContact O-N 2.87Å; V152-E154 VanDerWaalsContact C-N 3.34Å; V152-E154 PolarHBondContact O-N 3.12Å; V152-E155 PolarHBondContact O-N 3Å; V152-I156 HydrophobicContact CG1-CD1 3.89Å; V152-I156 VanDerWaalsContact O-CG1 3.28Å; V152-I156 WeakPolarHBondContact O-CG1 3.21Å; V152-I156 PolarHBondContact O-N 3.34Å
153L89.3Confident87.2Confident84 Ų8494.4 Ų94.444%0.4449%0.49SS..Hα-helixtrans-63.4-39.2177.1179.960.8000112.3A149 Q151 I156 R157A149-L153 VanDerWaalsContact O-CB 3.31Å; A149-L153 WeakPolarHBondContact O-CB 3.37Å; A149-L153 PolarHBondContact O-N 3.01Å; Q151-L153 PolarHBondContact O-N 3.04Å; L153-I156 PolarHBondContact O-N 2.97Å; L153-R157 VanDerWaalsContact O-CG 3.28Å; L153-R157 WeakPolarHBondContact O-CG 3.34Å; L153-R157 PolarHBondContact O-N 2.91Å
154E91.7Very high88.4Confident98 Ų9891.9 Ų91.946%0.45848%0.483SS..Hα-helixtrans-71.2-37.4177.7-161.561.1-163.400111.7K150 Q151 V152 I156 R157 T158K150-E154 WeakPolarHBondContact O-CB 3.43Å; K150-E154 PolarHBondContact O-N 3.27Å; Q151-E154 PolarHBondContact O-N 2.84Å; V152-E154 VanDerWaalsContact C-N 3.34Å; V152-E154 PolarHBondContact O-N 3.12Å; E154-I156 VanDerWaalsContact C-N 3.35Å; E154-I156 PolarHBondContact O-N 3.24Å; E154-R157 WeakPolarHBondContact O-CB 3.36Å; E154-R157 PolarHBondContact O-N 3.11Å; E154-R157 VanDerWaalsContact OE2-CD 3.24Å; E154-R157 WeakPolarHBondContact OE2-CD 3.44Å; E154-R157 IonicContact OE2-CZ 3.62Å; E154-R157 IonicContact OE2-NE 3.79Å; E154-R157 IonicContact OE2-NH1 2.66Å; E154-R157 PolarHBondContact OE2-NH1 3.45Å; E154-T158 WeakPolarHBondContact O-CG2 3.24Å; E154-T158 PolarHBondContact O-N 3.04Å; E154-T158 PolarHBondContact O-OG1 3.25Å
155E92.2Very high89.3Confident98 Ų9898.3 Ų98.346%0.45850%0.497SS..Hα-helixtrans-63.8-37.6172.8-164.6-170.2152.500112.5Q151 V152 R157 T158 K159Q151-E155 PolarHBondContact O-N 3.22Å; V152-E155 PolarHBondContact O-N 3Å; E155-R157 VanDerWaalsContact C-N 3.34Å; E155-T158 WeakPolarHBondContact CA-OG1 3.15Å; E155-T158 PolarHBondContact O-OG1 2.81Å; E155-T158 VanDerWaalsContact O-OG1 3.05Å; E155-K159 HydrophobicContact CG-CD 4.26Å; E155-K159 WeakPolarHBondContact O-CB 3.3Å; E155-K159 VanDerWaalsContact O-CG 3.32Å; E155-K159 WeakPolarHBondContact O-CG 3.48Å; E155-K159 PolarHBondContact O-N 3.23Å; E155-K159 WeakPolarHBondContact OE1-CE 3.47Å; E155-K159 IonicContact OE1-NZ 2.6Å; E155-K159 PolarHBondContact OE1-NZ 3.04Å
156I89.7Confident90Very high101 Ų101102 Ų10252%0.51851%0.508SS..Hα-helixtrans-64.9-40.3172.8-70.3165.4000110.6V152 L153 E154 K160V152-I156 HydrophobicContact CG1-CD1 3.89Å; V152-I156 VanDerWaalsContact O-CG1 3.28Å; V152-I156 WeakPolarHBondContact O-CG1 3.21Å; V152-I156 PolarHBondContact O-N 3.34Å; L153-I156 PolarHBondContact O-N 2.97Å; E154-I156 VanDerWaalsContact C-N 3.35Å; E154-I156 PolarHBondContact O-N 3.24Å; I156-K160 VanDerWaalsContact O-CB 3.29Å; I156-K160 WeakPolarHBondContact O-CB 3.11Å; I156-K160 PolarHBondContact O-N 2.91Å
157R92.4Very high90.3Very high138 Ų138106.2 Ų106.252%0.52151%0.514SS..Hα-helixtrans-66.4-44.5177.8-74.4164.4173-178.6-2.6112.4L153 E154 E155 K160 A161L153-R157 VanDerWaalsContact O-CG 3.28Å; L153-R157 WeakPolarHBondContact O-CG 3.34Å; L153-R157 PolarHBondContact O-N 2.91Å; E154-R157 WeakPolarHBondContact O-CB 3.36Å; E154-R157 PolarHBondContact O-N 3.11Å; E154-R157 VanDerWaalsContact OE2-CD 3.24Å; E154-R157 WeakPolarHBondContact OE2-CD 3.44Å; E154-R157 IonicContact OE2-CZ 3.62Å; E154-R157 IonicContact OE2-NE 3.79Å; E154-R157 IonicContact OE2-NH1 2.66Å; E154-R157 PolarHBondContact OE2-NH1 3.45Å; E155-R157 VanDerWaalsContact C-N 3.34Å; R157-K160 PolarHBondContact O-N 2.84Å; R157-A161 WeakPolarHBondContact O-CB 3.47Å; R157-A161 PolarHBondContact O-N 3.42Å
158T93.7Very high90.8Very high63 Ų63105 Ų10539%0.38751%0.505SS..Hα-helixtrans-65.1-48.317854.50000110.9E154 E155 K160 A161 E162E154-T158 WeakPolarHBondContact O-CG2 3.24Å; E154-T158 PolarHBondContact O-N 3.04Å; E154-T158 PolarHBondContact O-OG1 3.25Å; E155-T158 WeakPolarHBondContact CA-OG1 3.15Å; E155-T158 PolarHBondContact O-OG1 2.81Å; E155-T158 VanDerWaalsContact O-OG1 3.05Å; T158-K160 VanDerWaalsContact C-N 3.33Å; T158-K160 PolarHBondContact O-N 2.93Å; T158-A161 PolarHBondContact O-N 2.97Å; T158-A161 VanDerWaalsContact O-N 3.14Å; T158-E162 WeakPolarHBondContact O-CG 3.46Å; T158-E162 PolarHBondContact O-N 3.34Å
159K91.5Very high91Very high119 Ų119105.2 Ų105.252%0.51751%0.506SS..Hα-helixtrans-56.9-43.1175.6-77.1173.3169.3171.20112.7E155 E162 D163E155-K159 HydrophobicContact CG-CD 4.26Å; E155-K159 WeakPolarHBondContact O-CB 3.3Å; E155-K159 VanDerWaalsContact O-CG 3.32Å; E155-K159 WeakPolarHBondContact O-CG 3.48Å; E155-K159 PolarHBondContact O-N 3.23Å; E155-K159 WeakPolarHBondContact OE1-CE 3.47Å; E155-K159 IonicContact OE1-NZ 2.6Å; E155-K159 PolarHBondContact OE1-NZ 3.04Å; K159-E162 PolarHBondContact O-N 2.65Å; K159-D163 WeakPolarHBondContact O-CB 3.34Å; K159-D163 PolarHBondContact O-N 2.84Å
160K91.8Very high91.1Very high135 Ų135107 Ų10759%0.58751%0.506SS*.Hα-helixtrans-65.6-43.3176.1-176.1173.9178.2179.10112I156 R157 T158 E162 D163 D164I156-K160 VanDerWaalsContact O-CB 3.29Å; I156-K160 WeakPolarHBondContact O-CB 3.11Å; I156-K160 PolarHBondContact O-N 2.91Å; R157-K160 PolarHBondContact O-N 2.84Å; T158-K160 VanDerWaalsContact C-N 3.33Å; T158-K160 PolarHBondContact O-N 2.93Å; K160-E162 VanDerWaalsContact C-N 3.29Å; K160-E162 PolarHBondContact O-N 3.05Å; K160-D163 PolarHBondContact O-N 3.45Å; K160-D164 WeakPolarHBondContact O-CB 3.4Å; K160-D164 VanDerWaalsContact O-CG 3.3Å; K160-D164 PolarHBondContact O-N 3.04Å
161A94.4Very high90.9Very high45 Ų45106.2 Ų106.237%0.37250%0.499SS..Hα-helixtrans-65.9-30.3177.500000112.9R157 T158 R165R157-A161 WeakPolarHBondContact O-CB 3.47Å; R157-A161 PolarHBondContact O-N 3.42Å; T158-A161 PolarHBondContact O-N 2.97Å; T158-A161 VanDerWaalsContact O-N 3.14Å; A161-R165 WeakPolarHBondContact O-CB 3.2Å; A161-R165 WeakPolarHBondContact O-CD 3.48Å; A161-R165 WeakPolarHBondContact O-CG 3.18Å; A161-R165 PolarHBondContact O-N 3.07Å
162E93.5Very high90.7Very high117 Ų117105 Ų10555%0.54749%0.492SS..Hα-helixtrans-71.5-46.1172.2-73.3178.2171.800112T158 K159 K160 R165 L166T158-E162 WeakPolarHBondContact O-CG 3.46Å; T158-E162 PolarHBondContact O-N 3.34Å; K159-E162 PolarHBondContact O-N 2.65Å; K160-E162 VanDerWaalsContact C-N 3.29Å; K160-E162 PolarHBondContact O-N 3.05Å; E162-R165 WeakPolarHBondContact O-CB 3.46Å; E162-R165 PolarHBondContact O-N 3.09Å; E162-L166 WeakPolarHBondContact O-CG 3.49Å; E162-L166 PolarHBondContact O-N 2.93Å
163D88.9Confident90.4Very high63 Ų63106.7 Ų106.734%0.33749%0.494SS..Hα-helixtrans-61-46.3175.1-175.322.4000111.7K159 K160 R165 L166 R167K159-D163 WeakPolarHBondContact O-CB 3.34Å; K159-D163 PolarHBondContact O-N 2.84Å; K160-D163 PolarHBondContact O-N 3.45Å; D163-R165 VanDerWaalsContact C-N 3.29Å; D163-R165 PolarHBondContact O-N 3.37Å; D163-L166 PolarHBondContact O-N 3.42Å; D163-R167 WeakPolarHBondContact O-CB 3.44Å; D163-R167 WeakPolarHBondContact O-CG 3.26Å; D163-R167 PolarHBondContact O-N 2.75Å; D163-R167 IonicContact OD1-CZ 3.56Å; D163-R167 IonicContact OD1-NE 3.99Å; D163-R167 PolarHBondContact OD1-NE 3.3Å; D163-R167 IonicContact OD1-NH2 3.53Å; D163-R167 IonicContact OD2-CZ 3.15Å; D163-R167 IonicContact OD2-NE 2.69Å; D163-R167 PolarHBondContact OD2-NE 2.97Å; D163-R167 IonicContact OD2-NH2 2.65Å; D163-R167 PolarHBondContact OD2-NH2 3.18Å
164D90Very high90Very high77 Ų77107.9 Ų107.941%0.41250%0.5SS..Hα-helixtrans-59.7-37.3175.2-72.4-26.1000111.9K160 E168K160-D164 WeakPolarHBondContact O-CB 3.4Å; K160-D164 VanDerWaalsContact O-CG 3.3Å; K160-D164 PolarHBondContact O-N 3.04Å; D164-E168 WeakPolarHBondContact O-CB 3.22Å; D164-E168 PolarHBondContact O-N 2.86Å; D164-E168 VanDerWaalsContact O-N 3.11Å
165R94.6Very high89.7Confident181 Ų181106.4 Ų106.468%0.68349%0.493SS*.Hα-helixtrans-68.6-43.8174.2-77.8169.3-180-166.11.4112.7A161 E162 D163 E168 Q169A161-R165 WeakPolarHBondContact O-CB 3.2Å; A161-R165 WeakPolarHBondContact O-CD 3.48Å; A161-R165 WeakPolarHBondContact O-CG 3.18Å; A161-R165 PolarHBondContact O-N 3.07Å; E162-R165 WeakPolarHBondContact O-CB 3.46Å; E162-R165 PolarHBondContact O-N 3.09Å; D163-R165 VanDerWaalsContact C-N 3.29Å; D163-R165 PolarHBondContact O-N 3.37Å; R165-E168 PolarHBondContact O-N 3.2Å; R165-Q169 WeakPolarHBondContact O-CG 3.47Å; R165-Q169 PolarHBondContact O-N 3.16Å
166L91.6Very high89.2Confident111 Ų111105.5 Ų105.558%0.58150%0.502SS*.Hα-helixtrans-64.3-41.5178.1-73.2169.8000111.1E162 D163 Q169 L170E162-L166 WeakPolarHBondContact O-CG 3.49Å; E162-L166 PolarHBondContact O-N 2.93Å; D163-L166 PolarHBondContact O-N 3.42Å; L166-Q169 PolarHBondContact O-N 3.01Å; L166-L170 WeakPolarHBondContact O-CB 3.41Å; L166-L170 PolarHBondContact O-N 3.26Å
167R87.9Confident89.1Confident139 Ų139106 Ų10653%0.52551%0.506SS..Hα-helixtrans-61.8-43.6174.8-70.8168.7-173.9-152.72.8112.4D163 L170 R171D163-R167 WeakPolarHBondContact O-CB 3.44Å; D163-R167 WeakPolarHBondContact O-CG 3.26Å; D163-R167 PolarHBondContact O-N 2.75Å; D163-R167 IonicContact OD1-CZ 3.56Å; D163-R167 IonicContact OD1-NE 3.99Å; D163-R167 PolarHBondContact OD1-NE 3.3Å; D163-R167 IonicContact OD1-NH2 3.53Å; D163-R167 IonicContact OD2-CZ 3.15Å; D163-R167 IonicContact OD2-NE 2.69Å; D163-R167 PolarHBondContact OD2-NE 2.97Å; D163-R167 IonicContact OD2-NH2 2.65Å; D163-R167 PolarHBondContact OD2-NH2 3.18Å; R167-L170 PolarHBondContact O-N 3.11Å; R167-R171 WeakPolarHBondContact O-CB 3.43Å; R167-R171 PolarHBondContact O-N 2.79Å
168E91.2Very high88.6Confident81 Ų81100.8 Ų100.838%0.37949%0.491SS..Hα-helixtrans-68.8-35.7178176.862.5-177.500112.3D164 R165 K172D164-E168 WeakPolarHBondContact O-CB 3.22Å; D164-E168 PolarHBondContact O-N 2.86Å; D164-E168 VanDerWaalsContact O-N 3.11Å; R165-E168 PolarHBondContact O-N 3.2Å; E168-K172 WeakPolarHBondContact O-CG 3.41Å; E168-K172 PolarHBondContact O-N 2.92Å; E168-K172 WeakPolarHBondContact OE1-CE 3.47Å; E168-K172 IonicContact OE1-NZ 3.11Å; E168-K172 PolarHBondContact OE1-NZ 2.96Å
169Q91.9Very high88.5Confident129 Ų129101.3 Ų101.360%0.60349%0.494SS*.Hα-helixtrans-64.5-48171.2-75.2178.2-8.900111.5R165 L166 R171 K172 Q173R165-Q169 WeakPolarHBondContact O-CG 3.47Å; R165-Q169 PolarHBondContact O-N 3.16Å; L166-Q169 PolarHBondContact O-N 3.01Å; Q169-R171 VanDerWaalsContact C-N 3.33Å; Q169-R171 PolarHBondContact O-N 3.21Å; Q169-K172 PolarHBondContact O-N 2.95Å; Q169-Q173 PolarHBondContact O-N 2.8Å
170L85.5Confident88.5Confident102 Ų102100.2 Ų100.253%0.53449%0.491SS..Hα-helixtrans-60.8-41.9177.1-177.164.9000111.6L166 R167 Q173 I174L166-L170 WeakPolarHBondContact O-CB 3.41Å; L166-L170 PolarHBondContact O-N 3.26Å; R167-L170 PolarHBondContact O-N 3.11Å; L170-Q173 PolarHBondContact O-N 3.48Å; L170-I174 HydrophobicContact CD1-CD1 4.28Å; L170-I174 HydrophobicContact CG-CD1 3.98Å; L170-I174 VanDerWaalsContact O-CG1 3.31Å; L170-I174 WeakPolarHBondContact O-CG1 3.38Å; L170-I174 PolarHBondContact O-N 2.88Å
171R84.1Confident88.6Confident129 Ų12993.8 Ų93.849%0.48746%0.463SS..Hα-helixtrans-59.5-47.1175.3-174-173.2169-68.4-20.8111.3R167 Q169 Q173 I174 E175R167-R171 WeakPolarHBondContact O-CB 3.43Å; R167-R171 PolarHBondContact O-N 2.79Å; Q169-R171 VanDerWaalsContact C-N 3.33Å; Q169-R171 PolarHBondContact O-N 3.21Å; R171-Q173 VanDerWaalsContact C-N 3.32Å; R171-Q173 PolarHBondContact O-N 2.99Å; R171-I174 PolarHBondContact O-N 2.9Å; R171-E175 IonicContact CZ-OE2 2.73Å; R171-E175 IonicContact NH1-OE2 3.29Å; R171-E175 PolarHBondContact NH1-OE2 3.46Å; R171-E175 IonicContact NH2-OE1 2.67Å; R171-E175 PolarHBondContact NH2-OE1 2.93Å; R171-E175 IonicContact NH2-OE2 2.9Å; R171-E175 PolarHBondContact NH2-OE2 3.04Å; R171-E175 VanDerWaalsContact O-CB 3.26Å; R171-E175 WeakPolarHBondContact O-CB 3.24Å; R171-E175 PolarHBondContact O-N 3.29Å
172K87.2Confident88.5Confident114 Ų11497.4 Ų97.450%0.49647%0.467SS..Hα-helixtrans-64.1-35.8177.2-78.9172.8176.6144.80113E168 Q169 E175 A176E168-K172 WeakPolarHBondContact O-CG 3.41Å; E168-K172 PolarHBondContact O-N 2.92Å; E168-K172 WeakPolarHBondContact OE1-CE 3.47Å; E168-K172 IonicContact OE1-NZ 3.11Å; E168-K172 PolarHBondContact OE1-NZ 2.96Å; Q169-K172 PolarHBondContact O-N 2.95Å; K172-E175 PolarHBondContact O-N 3.11Å; K172-A176 WeakPolarHBondContact O-CB 3.33Å; K172-A176 PolarHBondContact O-N 2.73Å
173Q85.3Confident88.6Confident116 Ų11691.9 Ų91.954%0.54244%0.441SS..Hα-helixtrans-67-47.5175.2-174.5171.21.200111.2Q169 L170 R171 E175 A176 D177Q169-Q173 PolarHBondContact O-N 2.8Å; L170-Q173 PolarHBondContact O-N 3.48Å; R171-Q173 VanDerWaalsContact C-N 3.32Å; R171-Q173 PolarHBondContact O-N 2.99Å; Q173-E175 VanDerWaalsContact C-N 3.27Å; Q173-E175 PolarHBondContact O-N 3.32Å; Q173-A176 PolarHBondContact O-N 3.36Å; Q173-D177 WeakPolarHBondContact CG-OD2 3.4Å; Q173-D177 WeakPolarHBondContact O-CB 3.3Å; Q173-D177 VanDerWaalsContact O-CG 3.31Å; Q173-D177 PolarHBondContact O-N 2.97Å
174I81.6Confident88.9Confident109 Ų10990.3 Ų90.356%0.55943%0.432SS*.Hα-helixtrans-59.9-38.5175-66.6164.8000111.4L170 R171 S178L170-I174 HydrophobicContact CD1-CD1 4.28Å; L170-I174 HydrophobicContact CG-CD1 3.98Å; L170-I174 VanDerWaalsContact O-CG1 3.31Å; L170-I174 WeakPolarHBondContact O-CG1 3.38Å; L170-I174 PolarHBondContact O-N 2.88Å; R171-I174 PolarHBondContact O-N 2.9Å; I174-S178 WeakPolarHBondContact O-CB 3.33Å; I174-S178 PolarHBondContact O-N 3.5Å; I174-S178 VanDerWaalsContact O-N 3.12Å
175E84.4Confident89.1Confident67 Ų6786.8 Ų86.831%0.31341%0.413SS..Hα-helixtrans-67.2-37.9176.7175.3151.7-122.300112.6R171 K172 Q173 P247R171-E175 IonicContact CZ-OE2 2.73Å; R171-E175 IonicContact NH1-OE2 3.29Å; R171-E175 PolarHBondContact NH1-OE2 3.46Å; R171-E175 IonicContact NH2-OE1 2.67Å; R171-E175 PolarHBondContact NH2-OE1 2.93Å; R171-E175 IonicContact NH2-OE2 2.9Å; R171-E175 PolarHBondContact NH2-OE2 3.04Å; R171-E175 VanDerWaalsContact O-CB 3.26Å; R171-E175 WeakPolarHBondContact O-CB 3.24Å; R171-E175 PolarHBondContact O-N 3.29Å; K172-E175 PolarHBondContact O-N 3.11Å; Q173-E175 VanDerWaalsContact C-N 3.27Å; Q173-E175 PolarHBondContact O-N 3.32Å; E175-P247 HydrophobicContact CB-CG 4.25Å; E175-P247 HydrophobicContact CG-CG 3.78Å; E175-P247 WeakPolarHBondContact OE1-CD 3.36Å
176A83.1Confident89Confident79 Ų7982.2 Ų82.265%0.65340%0.396SS*.Hα-helixtrans-75.9-36.8175.600000113.5K172 Q173 S178K172-A176 WeakPolarHBondContact O-CB 3.33Å; K172-A176 PolarHBondContact O-N 2.73Å; Q173-A176 PolarHBondContact O-N 3.36Å; A176-S178 VanDerWaalsContact C-N 3.27Å; A176-S178 PolarHBondContact O-N 2.88Å
177D85.6Confident89Confident111 Ų11178 Ų7859%0.59437%0.372SS*.Hα-helixtrans-80.6-6.3179.8-67-19.2000112.4Q173 T179Q173-D177 WeakPolarHBondContact CG-OD2 3.4Å; Q173-D177 WeakPolarHBondContact O-CB 3.3Å; Q173-D177 VanDerWaalsContact O-CG 3.31Å; Q173-D177 PolarHBondContact O-N 2.97Å; D177-T179 PolarHBondContact O-N 2.82Å; D177-T179 VanDerWaalsContact O-N 3.16Å
178S83.4Confident88.9Confident29 Ų2974.8 Ų74.820%0.20337%0.37CS..  trans-68111.5-178.7-169.60000112.3I174 A176 H180 N246I174-S178 WeakPolarHBondContact O-CB 3.33Å; I174-S178 PolarHBondContact O-N 3.5Å; I174-S178 VanDerWaalsContact O-N 3.12Å; A176-S178 VanDerWaalsContact C-N 3.27Å; A176-S178 PolarHBondContact O-N 2.88Å; S178-H180 VanDerWaalsContact C-N 3.27Å; S178-H180 PolarHBondContact OG-N 2.82Å; S178-H180 PolarHBondContact OG-O 2.81Å; S178-N246 PolarHBondContact O-ND2 3.11Å; S178-N246 PolarHBondContact O-OD1 2.95Å
179T91.3Very high88.6Confident74 Ų7476.2 Ų76.245%0.45438%0.38SS..  trans-78.8-7.4169.949.30000113.7D177 K199D177-T179 PolarHBondContact O-N 2.82Å; D177-T179 VanDerWaalsContact O-N 3.16Å; T179-K199 WeakPolarHBondContact O-CB 3.45Å; T179-K199 WeakPolarHBondContact O-CG 3.43Å; T179-K199 PolarHBondContact O-N 3.21Å
180H91.5Very high88.3Confident96 Ų9672.6 Ų72.644%0.44438%0.377SS..EExtended strand (participates in β ladder)trans-120.6149.2-174.6-58.774000111.5S178 V196 F197 N246S178-H180 VanDerWaalsContact C-N 3.27Å; S178-H180 PolarHBondContact OG-N 2.82Å; S178-H180 PolarHBondContact OG-O 2.81Å; H180-V196 HydrophobicContact CB-CG1 3.87Å; H180-F197 CarbonylContact C-O 3.5Å; H180-F197 VanDerWaalsContact CA-O 3.25Å; H180-F197 WeakPolarHBondContact CA-O 3.39Å; H180-N246 PolarHBondContact O-OD1 3.07Å
181A92.8Very high88.4Confident0 Ų072.3 Ų72.30%038%0.377CS..EExtended strand (participates in β ladder)trans-116.4116.5173.500000110I183 F197 L240 N246A181-I183 HydrophobicContact CB-CD1 4.3Å; A181-F197 PolarHBondContact N-O 3.01Å; A181-F197 PolarHBondContact O-N 3.18Å; A181-L240 HydrophobicContact CB-CB 4.2Å; A181-L240 HydrophobicContact CB-CD1 3.97Å; A181-N246 HydrophobicContact CB-CB 4.25Å
182R93.9Very high88.8Confident122 Ų12274.2 Ų74.246%0.4638%0.384SS..EExtended strand (participates in β ladder)trans-91.9107.6177-174.2179.171.9144.17110.9E194 V196 P247 S248 A249R182-E194 WeakPolarHBondContact CD-OE1 3.46Å; R182-E194 HydrophobicContact CG-CG 4.29Å; R182-E194 IonicContact CZ-OE1 3.79Å; R182-E194 VanDerWaalsContact CZ-OE1 3.26Å; R182-E194 IonicContact NE-OE1 2.82Å; R182-E194 IonicContact NH1-OE1 2.68Å; R182-E194 PolarHBondContact NH1-OE1 3.21Å; R182-V196 HydrophobicContact CB-CG2 4.35Å; R182-V196 HydrophobicContact CG-CG2 4.08Å; R182-P247 PolarHBondContact N-O 2.85Å; R182-S248 WeakPolarHBondContact O-CA 3.11Å; R182-S248 WeakPolarHBondContact O-CB 3.46Å; R182-S248 PolarHBondContact O-OG 3.27Å; R182-A249 PolarHBondContact O-N 3.44Å; R182-A249 VanDerWaalsContact O-N 3.13Å
183I94.9Very high89.1Confident1 Ų169.3 Ų69.31%0.00536%0.363CS..EExtended strand (participates in β ladder)trans-103.2125.6-175.4-49.4-60.4000109.9A181 E194 E195 F197 V206 L240 L245 A249 L251A181-I183 HydrophobicContact CB-CD1 4.3Å; I183-E194 WeakPolarHBondContact O-CA 3.45Å; I183-E195 PolarHBondContact N-O 3.45Å; I183-E195 PolarHBondContact O-N 3.15Å; I183-F197 HydrophobicContact CB-CD2 4.09Å; I183-F197 HydrophobicContact CB-CE2 3.82Å; I183-F197 HydrophobicContact CG1-CD2 3.62Å; I183-F197 HydrophobicContact CG1-CE2 3.83Å; I183-V206 HydrophobicContact CG1-CG2 4.42Å; I183-V206 HydrophobicContact CG2-CG1 4.1Å; I183-L240 HydrophobicContact CG1-CD1 4.46Å; I183-L245 HydrophobicContact CD1-CB 3.86Å; I183-A249 WeakPolarHBondContact CA-O 3.39Å; I183-A249 HydrophobicContact CD1-CB 4.01Å; I183-L251 HydrophobicContact CG2-CD1 3.67Å; I183-L251 HydrophobicContact CG2-CG 3.88Å
184Q95.3Very high89.5Confident30 Ų3068 Ų6814%0.1436%0.357CS..EExtended strand (participates in β ladder)trans-105.4109.6169.8-175.6178.587.400110.2R186 L193 E194 A249 V250 L251Q184-R186 VanDerWaalsContact OE1-CZ 3.27Å; Q184-L193 CarbonylContact C-O 3.47Å; Q184-L193 VanDerWaalsContact CA-O 3.32Å; Q184-L193 WeakPolarHBondContact CA-O 3.34Å; Q184-E194 PolarHBondContact NE2-OE2 3.43Å; Q184-A249 PolarHBondContact N-O 3.21Å; Q184-V250 HydrophobicContact CB-CG1 4.41Å; Q184-V250 HydrophobicContact CB-CG2 4.4Å; Q184-V250 CarbonylContact O-C 3.51Å; Q184-V250 WeakPolarHBondContact O-CA 3.27Å; Q184-V250 WeakPolarHBondContact O-CG1 3.3Å; Q184-L251 PolarHBondContact O-N 3.21Å
185C94.1Very high90.1Very high2 Ų266.4 Ų66.41%0.01435%0.347CS..EExtended strand (participates in β ladder)trans-88131.9172-670000110.5F187 R192 L193 V210 L251 V253C185-F187 HydrophobicContact CB-CE2 4.36Å; C185-R192 WeakPolarHBondContact O-CA 3.45Å; C185-L193 HydrophobicContact CB-CB 4.21Å; C185-L193 PolarHBondContact N-O 2.66Å; C185-L193 PolarHBondContact O-N 3.23Å; C185-V210 HydrophobicContact CB-CG2 3.99Å; C185-V210 WeakPolarHBondContact SG-CG2 3.45Å; C185-L251 CarbonylContact C-O 3.56Å; C185-L251 VanDerWaalsContact CA-O 3.32Å; C185-L251 WeakPolarHBondContact CA-O 3.31Å; C185-V253 HydrophobicContact CB-CG2 4.08Å
186R93.5Very high90.5Very high86 Ų8667.4 Ų67.433%0.32536%0.357SS..EExtended strand (participates in β ladder)trans-115.1121.7178.9-66.1-176173-132.4-1.5109.9Q184 V250 L251 L252 V253Q184-R186 VanDerWaalsContact OE1-CZ 3.27Å; R186-V250 HydrophobicContact CG-CG1 4.09Å; R186-L251 PolarHBondContact N-O 3.1Å; R186-L252 HydrophobicContact CB-CD1 4.27Å; R186-V253 PolarHBondContact O-N 3.15Å
187F91.6Very high91.1Very high21 Ų2164.1 Ų64.19%0.09233%0.328CS..  trans-93.5155.9-174.6-67.9-91.9000111.9C185 N189 G190 D191 L193 V210 Y213 V214 V253C185-F187 HydrophobicContact CB-CE2 4.36Å; F187-N189 WeakPolarHBondContact CB-OD1 3.44Å; F187-N189 PolarHBondContact O-N 2.63Å; F187-G190 PolarHBondContact O-N 2.93Å; F187-D191 HydrophobicContact CB-CB 4.28Å; F187-D191 HydrophobicContact CD2-CB 4.24Å; F187-D191 PolarHBondContact N-O 3.15Å; F187-L193 HydrophobicContact CE2-CB 3.74Å; F187-L193 HydrophobicContact CZ-CB 4.39Å; F187-V210 HydrophobicContact CE1-CG1 3.87Å; F187-V210 HydrophobicContact CZ-CG1 4.15Å; F187-Y213 HydrophobicContact CZ-CG 4.47Å; F187-V214 HydrophobicContact CD1-CG2 4.4Å; F187-V214 HydrophobicContact CE1-CG2 3.97Å; F187-V253 HydrophobicContact CD1-CB 4.05Å; F187-V253 HydrophobicContact CD1-CG1 4.08Å; F187-V253 HydrophobicContact CD1-CG2 4.01Å; F187-V253 HydrophobicContact CE1-CB 4.42Å; F187-V253 HydrophobicContact CE1-CG1 4.26Å; F187-V253 HydrophobicContact CE1-CG2 4.01Å; F187-V253 HydrophobicContact CG-CG2 4.38Å; F187-V253 HydrophobicContact CZ-CG2 4.36Å
188P85.5Confident91.5Very high73 Ų7361.8 Ų61.847%0.47432%0.316SS..THydrogen-bonded Turntrans-71.4-15-177.829.5-34.5000113.2G190 V253 T255P188-G190 VanDerWaalsContact C-N 3.28Å; P188-V253 WeakPolarHBondContact CD-O 3.14Å; P188-T255 HydrophobicContact CG-CG2 4.49Å
189N84.1Confident91.9Very high110 Ų11062.8 Ų62.859%0.58832%0.317SS*.THydrogen-bonded Turntrans-79.1-8.2171.166.8-8000113.3F187 D191F187-N189 WeakPolarHBondContact CB-OD1 3.44Å; F187-N189 PolarHBondContact O-N 2.63Å; N189-D191 PolarHBondContact ND2-OD2 3.45Å; N189-D191 WeakPolarHBondContact OD1-CB 3.47Å; N189-D191 PolarHBondContact OD1-N 3.15Å
190G85.2Confident92Very high53 Ų5363.9 Ų63.955%0.54632%0.323SS..SBendtrans101.5-10.7-177.400000114.8F187 P188F187-G190 PolarHBondContact O-N 2.93Å; P188-G190 VanDerWaalsContact C-N 3.28Å
191D88.5Confident92Very high97 Ų9762.1 Ų62.152%0.51932%0.315SS..  trans-69.5162.4-179.2-66.3-22.7000112.3F187 N189F187-D191 HydrophobicContact CB-CB 4.28Å; F187-D191 HydrophobicContact CD2-CB 4.24Å; F187-D191 PolarHBondContact N-O 3.15Å; N189-D191 PolarHBondContact ND2-OD2 3.45Å; N189-D191 WeakPolarHBondContact OD1-CB 3.47Å; N189-D191 PolarHBondContact OD1-N 3.15Å
192R92.6Very high92.1Very high169 Ų16963.9 Ų63.964%0.63833%0.328SS*.EExtended strand (participates in β ladder)trans-136.6132.2-179-54.1-179.1-166.3169.45.8109.7C185C185-R192 WeakPolarHBondContact O-CA 3.45Å
193L92.1Very high92.2Very high11 Ų1158.1 Ų58.16%0.05831%0.306CS..EExtended strand (participates in β ladder)trans-109.5132.4166171.167.8000107Q184 C185 F187 E195 I209 V210 Y213Q184-L193 CarbonylContact C-O 3.47Å; Q184-L193 VanDerWaalsContact CA-O 3.32Å; Q184-L193 WeakPolarHBondContact CA-O 3.34Å; C185-L193 HydrophobicContact CB-CB 4.21Å; C185-L193 PolarHBondContact N-O 2.66Å; C185-L193 PolarHBondContact O-N 3.23Å; F187-L193 HydrophobicContact CE2-CB 3.74Å; F187-L193 HydrophobicContact CZ-CB 4.39Å; L193-E195 HydrophobicContact CD1-CG 3.58Å; L193-E195 HydrophobicContact CD2-CG 4.35Å; L193-E195 HydrophobicContact CG-CG 3.88Å; L193-I209 HydrophobicContact CD2-CG2 3.67Å; L193-V210 HydrophobicContact CD2-CG2 4.32Å; L193-Y213 HydrophobicContact CD1-CD2 4.25Å; L193-Y213 HydrophobicContact CD1-CE1 4.27Å; L193-Y213 HydrophobicContact CD1-CE2 3.56Å; L193-Y213 HydrophobicContact CD2-CD2 3.96Å; L193-Y213 HydrophobicContact CD2-CE2 4.05Å; L193-Y213 HydrophobicContact CG-CE2 4.4Å
194E94.8Very high92.1Very high89 Ų8964.3 Ų64.342%0.41633%0.329SS..EExtended strand (participates in β ladder)trans-130114.6175.1-174.5163.6159.100107.8R182 I183 Q184R182-E194 WeakPolarHBondContact CD-OE1 3.46Å; R182-E194 HydrophobicContact CG-CG 4.29Å; R182-E194 IonicContact CZ-OE1 3.79Å; R182-E194 VanDerWaalsContact CZ-OE1 3.26Å; R182-E194 IonicContact NE-OE1 2.82Å; R182-E194 IonicContact NH1-OE1 2.68Å; R182-E194 PolarHBondContact NH1-OE1 3.21Å; I183-E194 WeakPolarHBondContact O-CA 3.45Å; Q184-E194 PolarHBondContact NE2-OE2 3.43Å
195E93.8Very high92.1Very high74 Ų7465.2 Ų65.235%0.34634%0.337SS..EExtended strand (participates in β ladder)trans-132.5154.3-173.8-71.3-68.9179.200109.9I183 L193 F197I183-E195 PolarHBondContact N-O 3.45Å; I183-E195 PolarHBondContact O-N 3.15Å; L193-E195 HydrophobicContact CD1-CG 3.58Å; L193-E195 HydrophobicContact CD2-CG 4.35Å; L193-E195 HydrophobicContact CG-CG 3.88Å; E195-F197 HydrophobicContact CB-CD2 4.33Å; E195-F197 HydrophobicContact CB-CE2 3.44Å; E195-F197 VanDerWaalsContact CB-CE2 3.44Å; E195-F197 HydrophobicContact CB-CZ 3.68Å
196V94.1Very high92.1Very high89 Ų8965.2 Ų65.254%0.53934%0.337SS..EExtended strand (participates in β ladder)trans-116.1123.1179.5-177.80000108.7H180 R182H180-V196 HydrophobicContact CB-CG1 3.87Å; R182-V196 HydrophobicContact CB-CG2 4.35Å; R182-V196 HydrophobicContact CG-CG2 4.08Å
197F94.4Very high92.1Very high9 Ų963.3 Ų63.34%0.03933%0.33CS..EExtended strand (participates in β ladder)trans-114.2156.7-177.9-58-95.4000109.5H180 A181 I183 E195 E201 T205 V206 I209 L240H180-F197 CarbonylContact C-O 3.5Å; H180-F197 VanDerWaalsContact CA-O 3.25Å; H180-F197 WeakPolarHBondContact CA-O 3.39Å; A181-F197 PolarHBondContact N-O 3.01Å; A181-F197 PolarHBondContact O-N 3.18Å; I183-F197 HydrophobicContact CB-CD2 4.09Å; I183-F197 HydrophobicContact CB-CE2 3.82Å; I183-F197 HydrophobicContact CG1-CD2 3.62Å; I183-F197 HydrophobicContact CG1-CE2 3.83Å; E195-F197 HydrophobicContact CB-CD2 4.33Å; E195-F197 HydrophobicContact CB-CE2 3.44Å; E195-F197 VanDerWaalsContact CB-CE2 3.44Å; E195-F197 HydrophobicContact CB-CZ 3.68Å; F197-E201 WeakPolarHBondContact CA-OE1 3.22Å; F197-T205 HydrophobicContact CD1-CG2 4.29Å; F197-T205 HydrophobicContact CE1-CG2 4.05Å; F197-V206 HydrophobicContact CD1-CG2 4.12Å; F197-V206 HydrophobicContact CD2-CG2 4.28Å; F197-V206 HydrophobicContact CE1-CB 4.45Å; F197-V206 HydrophobicContact CE1-CG2 3.8Å; F197-V206 HydrophobicContact CE2-CG2 3.98Å; F197-V206 HydrophobicContact CG-CG2 4.36Å; F197-V206 HydrophobicContact CZ-CB 4.24Å; F197-V206 HydrophobicContact CZ-CG1 4.4Å; F197-V206 HydrophobicContact CZ-CG2 3.73Å; F197-I209 HydrophobicContact CE1-CD1 3.69Å; F197-I209 HydrophobicContact CZ-CD1 3.9Å; F197-L240 HydrophobicContact CB-CD1 3.43Å; F197-L240 VanDerWaalsContact CB-CD1 3.43Å; F197-L240 HydrophobicContact CD2-CD1 4.32Å; F197-L240 HydrophobicContact CG-CD1 3.86Å
198D93.9Very high92.1Very high63 Ų6365.9 Ų65.934%0.33735%0.345SS..EExtended strand (participates in β ladder)trans-69.6142.6163.4-171.5-60.3000109T200 E201D198-T200 PolarHBondContact O-N 3.35Å; D198-T200 VanDerWaalsContact O-N 3.12Å; D198-T200 WeakPolarHBondContact OD1-CB 3.46Å; D198-T200 PolarHBondContact OD1-N 3.33Å; D198-T200 PolarHBondContact OD1-OG1 2.68Å; D198-E201 HydrophobicContact CB-CG 4.16Å; D198-E201 PolarHBondContact N-OE1 3.44Å; D198-E201 WeakPolarHBondContact O-CB 3.48Å; D198-E201 PolarHBondContact O-N 3.29Å
199K91.8Very high92.5Very high50 Ų5064.6 Ų64.622%0.21733%0.333CS..THydrogen-bonded Turntrans-59.9-24.3-179.971.8174-170.4150.60113.5T179 E201 L240 E241 N246T179-K199 WeakPolarHBondContact O-CB 3.45Å; T179-K199 WeakPolarHBondContact O-CG 3.43Å; T179-K199 PolarHBondContact O-N 3.21Å; K199-E201 VanDerWaalsContact C-N 3.35Å; K199-L240 PolarHBondContact O-N 3.37Å; K199-E241 HydrophobicContact CB-CB 4.36Å; K199-E241 WeakPolarHBondContact CD-OE2 3.27Å; K199-E241 WeakPolarHBondContact CE-OE2 3.42Å; K199-E241 IonicContact NZ-OE1 3.17Å; K199-E241 PolarHBondContact NZ-OE1 2.88Å; K199-E241 IonicContact NZ-OE2 2.79Å; K199-E241 PolarHBondContact NZ-OE2 3.09Å; K199-E241 PolarHBondContact O-N 3.38Å; K199-E241 VanDerWaalsContact O-N 3.09Å; K199-N246 HydrophobicContact CB-CB 4.34Å; K199-N246 WeakPolarHBondContact CB-ND2 3.34Å; K199-N246 VanDerWaalsContact CD-ND2 3.32Å; K199-N246 WeakPolarHBondContact CD-ND2 3.42Å
200T93Very high92.9Very high97 Ų9759.3 Ų59.360%0.59531%0.305SS*.THydrogen-bonded Turntrans-81.1-11.8178.461.70000113.6D198D198-T200 PolarHBondContact O-N 3.35Å; D198-T200 VanDerWaalsContact O-N 3.12Å; D198-T200 WeakPolarHBondContact OD1-CB 3.46Å; D198-T200 PolarHBondContact OD1-N 3.33Å; D198-T200 PolarHBondContact OD1-OG1 2.68Å
201E93.1Very high93.2Very high58 Ų5863.8 Ų63.827%0.27131%0.306SS..SBendtrans-65.9150.4175.1-73.4-175.7-119.500112F197 D198 K199 T205 S239 L240F197-E201 WeakPolarHBondContact CA-OE1 3.22Å; D198-E201 HydrophobicContact CB-CG 4.16Å; D198-E201 PolarHBondContact N-OE1 3.44Å; D198-E201 WeakPolarHBondContact O-CB 3.48Å; D198-E201 PolarHBondContact O-N 3.29Å; K199-E201 VanDerWaalsContact C-N 3.35Å; E201-T205 WeakPolarHBondContact OE2-CB 3.44Å; E201-T205 VanDerWaalsContact OE2-CG2 3.32Å; E201-T205 WeakPolarHBondContact OE2-CG2 3.47Å; E201-T205 PolarHBondContact OE2-OG1 2.84Å; E201-T205 VanDerWaalsContact OE2-OG1 3.1Å; E201-S239 CarbonylContact O-C 3.49Å; E201-S239 VanDerWaalsContact O-CA 3.27Å; E201-S239 WeakPolarHBondContact O-CA 3.33Å; E201-L240 WeakPolarHBondContact O-CG 3.46Å; E201-L240 PolarHBondContact O-N 3.42Å
202S94.6Very high93.2Very high38 Ų3863.4 Ų63.427%0.26631%0.311SS..BIsolated β-bridgetrans-80.1150.7175.362.70000112.1R204 T205 L236 K238S202-R204 PolarHBondContact O-N 2.94Å; S202-R204 WeakPolarHBondContact OG-CB 3.24Å; S202-T205 PolarHBondContact O-N 2.95Å; S202-T205 PolarHBondContact O-OG1 3.34Å; S202-L236 WeakPolarHBondContact CB-O 3.46Å; S202-K238 VanDerWaalsContact CA-O 3.26Å; S202-K238 WeakPolarHBondContact CA-O 3.4Å
203L94.8Very high92.9Very high0 Ų061.8 Ų61.80%031%0.306CS..Hα-helixtrans-54.3-24.5173-179.969.2000112.9T205 V206 Y207 L222 Y231 D235 L236 K238 L240 L243 L245 L251L203-T205 VanDerWaalsContact C-N 3.29Å; L203-T205 PolarHBondContact O-N 2.84Å; L203-V206 HydrophobicContact CD1-CB 4.27Å; L203-V206 HydrophobicContact CD1-CG2 4.45Å; L203-V206 WeakPolarHBondContact O-CB 3.31Å; L203-V206 PolarHBondContact O-N 3.19Å; L203-V206 VanDerWaalsContact O-N 3.16Å; L203-Y207 PolarHBondContact O-N 3.39Å; L203-L222 HydrophobicContact CD1-CD1 4.32Å; L203-Y231 HydrophobicContact CD2-CD1 3.85Å; L203-Y231 HydrophobicContact CD2-CD2 4.34Å; L203-Y231 HydrophobicContact CD2-CG 3.63Å; L203-D235 HydrophobicContact CD2-CB 4.2Å; L203-L236 HydrophobicContact CD2-CD2 4.18Å; L203-L236 HydrophobicContact CG-CD2 4.25Å; L203-L236 PolarHBondContact N-O 3.5Å; L203-K238 PolarHBondContact N-O 3.21Å; L203-L240 HydrophobicContact CB-CD2 4.47Å; L203-L240 HydrophobicContact CD1-CD2 4.25Å; L203-L243 HydrophobicContact CB-CD1 3.64Å; L203-L243 HydrophobicContact CD1-CD1 4.28Å; L203-L243 HydrophobicContact CD2-CD1 3.74Å; L203-L243 HydrophobicContact CG-CD1 4.08Å; L203-L245 HydrophobicContact CD1-CD1 3.94Å; L203-L251 HydrophobicContact CD1-CD1 4.47Å
204R94.4Very high92.5Very high131 Ų13162.8 Ų62.849%0.49431%0.312SS..Hα-helixtrans-52.6-39.2172.1-166.9178.1-169.7127.61.6114S202 V206 Y207 D208 L236 D237S202-R204 PolarHBondContact O-N 2.94Å; S202-R204 WeakPolarHBondContact OG-CB 3.24Å; R204-V206 VanDerWaalsContact C-N 3.35Å; R204-V206 PolarHBondContact O-N 3.16Å; R204-Y207 WeakPolarHBondContact O-CB 3.11Å; R204-Y207 PolarHBondContact O-N 3.31Å; R204-D208 IonicContact NE-OD2 2.76Å; R204-D208 PolarHBondContact O-N 2.87Å; R204-L236 HydrophobicContact CB-CB 4.41Å; R204-L236 WeakPolarHBondContact CB-O 3.34Å; R204-L236 PolarHBondContact N-O 3.07Å; R204-D237 IonicContact NH1-OD1 4Å
205T94.2Very high91.6Very high50 Ų5067.3 Ų67.331%0.30733%0.333SS..Hα-helixtrans-62.2-46.1177.9-43.10000110.3F197 E201 S202 L203 Y207 D208 I209F197-T205 HydrophobicContact CD1-CG2 4.29Å; F197-T205 HydrophobicContact CE1-CG2 4.05Å; E201-T205 WeakPolarHBondContact OE2-CB 3.44Å; E201-T205 VanDerWaalsContact OE2-CG2 3.32Å; E201-T205 WeakPolarHBondContact OE2-CG2 3.47Å; E201-T205 PolarHBondContact OE2-OG1 2.84Å; E201-T205 VanDerWaalsContact OE2-OG1 3.1Å; S202-T205 PolarHBondContact O-N 2.95Å; S202-T205 PolarHBondContact O-OG1 3.34Å; L203-T205 VanDerWaalsContact C-N 3.29Å; L203-T205 PolarHBondContact O-N 2.84Å; T205-Y207 VanDerWaalsContact C-N 3.3Å; T205-Y207 PolarHBondContact O-N 3.3Å; T205-D208 PolarHBondContact O-N 3.17Å; T205-I209 HydrophobicContact CG2-CD1 4.36Å; T205-I209 WeakPolarHBondContact O-CG1 3.2Å; T205-I209 PolarHBondContact O-N 3.04Å
206V93.8Very high90.6Very high2 Ų270.4 Ų70.41%0.01235%0.345CS..Hα-helixtrans-59-43.6175.5-172.50000110.7I183 F197 L203 R204 V210 L240 L251I183-V206 HydrophobicContact CG1-CG2 4.42Å; I183-V206 HydrophobicContact CG2-CG1 4.1Å; F197-V206 HydrophobicContact CD1-CG2 4.12Å; F197-V206 HydrophobicContact CD2-CG2 4.28Å; F197-V206 HydrophobicContact CE1-CB 4.45Å; F197-V206 HydrophobicContact CE1-CG2 3.8Å; F197-V206 HydrophobicContact CE2-CG2 3.98Å; F197-V206 HydrophobicContact CG-CG2 4.36Å; F197-V206 HydrophobicContact CZ-CB 4.24Å; F197-V206 HydrophobicContact CZ-CG1 4.4Å; F197-V206 HydrophobicContact CZ-CG2 3.73Å; L203-V206 HydrophobicContact CD1-CB 4.27Å; L203-V206 HydrophobicContact CD1-CG2 4.45Å; L203-V206 WeakPolarHBondContact O-CB 3.31Å; L203-V206 PolarHBondContact O-N 3.19Å; L203-V206 VanDerWaalsContact O-N 3.16Å; R204-V206 VanDerWaalsContact C-N 3.35Å; R204-V206 PolarHBondContact O-N 3.16Å; V206-V210 HydrophobicContact CG1-CG2 4.5Å; V206-V210 WeakPolarHBondContact O-CB 3.38Å; V206-V210 VanDerWaalsContact O-CG2 3.29Å; V206-V210 WeakPolarHBondContact O-CG2 3.31Å; V206-V210 PolarHBondContact O-N 2.82Å; V206-L240 HydrophobicContact CG2-CD1 4.27Å; V206-L240 HydrophobicContact CG2-CD2 3.89Å; V206-L251 HydrophobicContact CG1-CD1 4.03Å
207Y93.7Very high89.7Confident45 Ų4572.6 Ų72.618%0.17636%0.362CS..Hα-helixtrans-62.6-45.5178.6-171.6-88.3000112.2L203 R204 T205 V210 R211 F220 L222 L236L203-Y207 PolarHBondContact O-N 3.39Å; R204-Y207 WeakPolarHBondContact O-CB 3.11Å; R204-Y207 PolarHBondContact O-N 3.31Å; T205-Y207 VanDerWaalsContact C-N 3.3Å; T205-Y207 PolarHBondContact O-N 3.3Å; Y207-V210 PolarHBondContact O-N 2.73Å; Y207-R211 VanDerWaalsContact O-CB 3.24Å; Y207-R211 WeakPolarHBondContact O-CB 3.47Å; Y207-R211 PolarHBondContact O-N 3.48Å; Y207-F220 HydrophobicContact CD1-CZ 4.13Å; Y207-F220 AromaticContact CD2-CE2 3.6Å; Y207-F220 HydrophobicContact CD2-CE2 3.6Å; Y207-F220 AromaticContact CD2-CZ 3.7Å; Y207-F220 HydrophobicContact CD2-CZ 3.7Å; Y207-F220 HydrophobicContact CE1-CE1 4.19Å; Y207-F220 AromaticContact CE1-CZ 3.87Å; Y207-F220 HydrophobicContact CE1-CZ 3.87Å; Y207-F220 HydrophobicContact CE2-CD2 4.04Å; Y207-F220 HydrophobicContact CE2-CE1 4.08Å; Y207-F220 AromaticContact CE2-CE2 3.39Å; Y207-F220 HydrophobicContact CE2-CE2 3.39Å; Y207-F220 AromaticContact CE2-CZ 3.41Å; Y207-F220 HydrophobicContact CE2-CZ 3.41Å; Y207-F220 VanDerWaalsContact CE2-CZ 3.41Å; Y207-F220 HydrophobicContact CG-CE2 4.33Å; Y207-F220 HydrophobicContact CG-CZ 4.04Å; Y207-F220 AromaticContact CZ-CE1 3.77Å; Y207-F220 AromaticContact CZ-CE2 3.97Å; Y207-F220 AromaticContact CZ-CZ 3.49Å; Y207-F220 VanDerWaalsContact CZ-CZ 3.49Å; Y207-L222 HydrophobicContact CD2-CD1 4.12Å; Y207-L236 HydrophobicContact CD2-CD2 3.84Å; Y207-L236 HydrophobicContact CG-CD2 3.85Å
208D92.7Very high88.7Confident76 Ų7674.7 Ų74.741%0.40638%0.377SS..Hα-helixtrans-69.7-35.1-179-73.9-26.5000111.9R204 T205 R211 S212R204-D208 IonicContact NE-OD2 2.76Å; R204-D208 PolarHBondContact O-N 2.87Å; T205-D208 PolarHBondContact O-N 3.17Å; D208-R211 PolarHBondContact O-N 2.9Å; D208-S212 PolarHBondContact O-N 2.89Å; D208-S212 VanDerWaalsContact O-N 3.13Å
209I92.8Very high88.2Confident45 Ų4576.2 Ų76.223%0.23139%0.385CS..Hα-helixtrans-65.1-52.4170.7-61.8176.9000110.2L193 F197 T205 R211 S212 Y213L193-I209 HydrophobicContact CD2-CG2 3.67Å; F197-I209 HydrophobicContact CE1-CD1 3.69Å; F197-I209 HydrophobicContact CZ-CD1 3.9Å; T205-I209 HydrophobicContact CG2-CD1 4.36Å; T205-I209 WeakPolarHBondContact O-CG1 3.2Å; T205-I209 PolarHBondContact O-N 3.04Å; I209-R211 PolarHBondContact O-N 3.42Å; I209-S212 PolarHBondContact O-N 2.93Å; I209-S212 PolarHBondContact O-OG 3.38Å; I209-Y213 HydrophobicContact CG2-CD2 4.02Å; I209-Y213 HydrophobicContact CG2-CE2 3.94Å; I209-Y213 WeakPolarHBondContact O-CD2 3.32Å; I209-Y213 PolarHBondContact O-N 3.37Å
210V92.6Very high88.2Confident0 Ų074.5 Ų74.50%038%0.377CS..Hα-helixtrans-54.8-41.2177.5170.40000110.9C185 F187 L193 V206 Y207 S212 Y213 V214 F220 L222 V253C185-V210 HydrophobicContact CB-CG2 3.99Å; C185-V210 WeakPolarHBondContact SG-CG2 3.45Å; F187-V210 HydrophobicContact CE1-CG1 3.87Å; F187-V210 HydrophobicContact CZ-CG1 4.15Å; L193-V210 HydrophobicContact CD2-CG2 4.32Å; V206-V210 HydrophobicContact CG1-CG2 4.5Å; V206-V210 WeakPolarHBondContact O-CB 3.38Å; V206-V210 VanDerWaalsContact O-CG2 3.29Å; V206-V210 WeakPolarHBondContact O-CG2 3.31Å; V206-V210 PolarHBondContact O-N 2.82Å; Y207-V210 PolarHBondContact O-N 2.73Å; V210-S212 VanDerWaalsContact C-N 3.28Å; V210-S212 PolarHBondContact O-N 3.48Å; V210-Y213 PolarHBondContact O-N 2.82Å; V210-Y213 VanDerWaalsContact O-N 3.15Å; V210-V214 WeakPolarHBondContact O-CG2 3.3Å; V210-V214 PolarHBondContact O-N 3.36Å; V210-F220 HydrophobicContact CB-CE2 4.09Å; V210-F220 HydrophobicContact CB-CZ 4.16Å; V210-F220 HydrophobicContact CG1-CD2 4.05Å; V210-F220 HydrophobicContact CG1-CE2 3.46Å; V210-F220 VanDerWaalsContact CG1-CE2 3.46Å; V210-F220 HydrophobicContact CG1-CZ 3.77Å; V210-L222 HydrophobicContact CG1-CD2 4.34Å; V210-L222 HydrophobicContact CG2-CD2 4.4Å; V210-V253 HydrophobicContact CG1-CB 4.49Å; V210-V253 HydrophobicContact CG1-CG1 3.84Å; V210-V253 HydrophobicContact CG1-CG2 3.75Å; V210-V253 HydrophobicContact CG2-CG2 4.44Å
211R90.9Very high88.1Confident147 Ų14773.2 Ų73.256%0.55536%0.364SS*.Hα-helixtrans-61.9-32176.9-171.2174.5-166.7162.78.5113.5Y207 D208 I209 F220Y207-R211 VanDerWaalsContact O-CB 3.24Å; Y207-R211 WeakPolarHBondContact O-CB 3.47Å; Y207-R211 PolarHBondContact O-N 3.48Å; D208-R211 PolarHBondContact O-N 2.9Å; I209-R211 PolarHBondContact O-N 3.42Å; R211-F220 HydrophobicContact CB-CE1 3.82Å; R211-F220 HydrophobicContact CB-CZ 3.96Å; R211-F220 HydrophobicContact CG-CE1 4.09Å
212S88.9Confident88.1Confident89 Ų8970.6 Ų70.662%0.62235%0.351SS*.Hα-helixtrans-75.6-26.9176.172.40000113.2D208 I209 V210D208-S212 PolarHBondContact O-N 2.89Å; D208-S212 VanDerWaalsContact O-N 3.13Å; I209-S212 PolarHBondContact O-N 2.93Å; I209-S212 PolarHBondContact O-OG 3.38Å; V210-S212 VanDerWaalsContact C-N 3.28Å; V210-S212 PolarHBondContact O-N 3.48Å
213Y87.3Confident88Confident135 Ų13570.7 Ų70.753%0.52935%0.349SS..Hα-helixtrans-78.6-23.4174.2-86.5-93.3000114.1F187 L193 I209 V210 E215F187-Y213 HydrophobicContact CZ-CG 4.47Å; L193-Y213 HydrophobicContact CD1-CD2 4.25Å; L193-Y213 HydrophobicContact CD1-CE1 4.27Å; L193-Y213 HydrophobicContact CD1-CE2 3.56Å; L193-Y213 HydrophobicContact CD2-CD2 3.96Å; L193-Y213 HydrophobicContact CD2-CE2 4.05Å; L193-Y213 HydrophobicContact CG-CE2 4.4Å; I209-Y213 HydrophobicContact CG2-CD2 4.02Å; I209-Y213 HydrophobicContact CG2-CE2 3.94Å; I209-Y213 WeakPolarHBondContact O-CD2 3.32Å; I209-Y213 PolarHBondContact O-N 3.37Å; V210-Y213 PolarHBondContact O-N 2.82Å; V210-Y213 VanDerWaalsContact O-N 3.15Å; Y213-E215 PolarHBondContact O-N 3.2Å
214V83.4Confident87.9Confident32 Ų3271.1 Ų71.119%0.19435%0.352CS..SBendtrans-79.8108.3176.2-175.60000109.8F187 V210 K216F187-V214 HydrophobicContact CD1-CG2 4.4Å; F187-V214 HydrophobicContact CE1-CG2 3.97Å; V210-V214 WeakPolarHBondContact O-CG2 3.3Å; V210-V214 PolarHBondContact O-N 3.36Å; V214-K216 WeakPolarHBondContact CG1-O 3.41Å; V214-K216 PolarHBondContact O-N 2.86Å
215E74.5Confident87.4Confident184 Ų18468.8 Ų68.886%0.8635%0.348SS*.SBendtrans-50.8-21.6-177.9-61.2-177.1159.600115.9Y213Y213-E215 PolarHBondContact O-N 3.2Å
216K73.1Confident86.7Confident138 Ų13874.6 Ų74.660%0.637%0.37SS*.SBendtrans-125.8139.2-173.4-69.1171.4-174.6161.80110.3V214 C218V214-K216 WeakPolarHBondContact CG1-O 3.41Å; V214-K216 PolarHBondContact O-N 2.86Å; K216-C218 VanDerWaalsContact C-N 3.28Å; K216-C218 PolarHBondContact O-N 2.84Å
217P75.8Confident86.2Confident136 Ų13678.1 Ų78.188%0.88339%0.394SS*.  trans-69.187.517329.7-34.4000109.9
218C72.7Confident85.7Confident53 Ų5386.1 Ų86.136%0.35842%0.424SS..  trans-117.5146175.6-66.80000109.9K216 F220K216-C218 VanDerWaalsContact C-N 3.28Å; K216-C218 PolarHBondContact O-N 2.84Å; C218-F220 PolarHBondContact O-N 2.81Å
219D84.8Confident85.6Confident95 Ų9587.7 Ų87.751%0.50843%0.425SS..  trans-68.9125.4170.9-57.4-47.8000108D256 K259D219-D256 PolarHBondContact O-N 3.45Å; D219-K259 IonicContact OD2-NZ 2.76Å; D219-K259 PolarHBondContact OD2-NZ 3.08Å
220F90Very high85.6Confident13 Ų1389.1 Ų89.16%0.05743%0.431CS..EExtended strand (participates in β ladder)trans-134.6155.8179.672.9-91.6000111.9Y207 V210 R211 C218 L222 V253 V254 T255Y207-F220 HydrophobicContact CD1-CZ 4.13Å; Y207-F220 AromaticContact CD2-CE2 3.6Å; Y207-F220 HydrophobicContact CD2-CE2 3.6Å; Y207-F220 AromaticContact CD2-CZ 3.7Å; Y207-F220 HydrophobicContact CD2-CZ 3.7Å; Y207-F220 HydrophobicContact CE1-CE1 4.19Å; Y207-F220 AromaticContact CE1-CZ 3.87Å; Y207-F220 HydrophobicContact CE1-CZ 3.87Å; Y207-F220 HydrophobicContact CE2-CD2 4.04Å; Y207-F220 HydrophobicContact CE2-CE1 4.08Å; Y207-F220 AromaticContact CE2-CE2 3.39Å; Y207-F220 HydrophobicContact CE2-CE2 3.39Å; Y207-F220 AromaticContact CE2-CZ 3.41Å; Y207-F220 HydrophobicContact CE2-CZ 3.41Å; Y207-F220 VanDerWaalsContact CE2-CZ 3.41Å; Y207-F220 HydrophobicContact CG-CE2 4.33Å; Y207-F220 HydrophobicContact CG-CZ 4.04Å; Y207-F220 AromaticContact CZ-CE1 3.77Å; Y207-F220 AromaticContact CZ-CE2 3.97Å; Y207-F220 AromaticContact CZ-CZ 3.49Å; Y207-F220 VanDerWaalsContact CZ-CZ 3.49Å; V210-F220 HydrophobicContact CB-CE2 4.09Å; V210-F220 HydrophobicContact CB-CZ 4.16Å; V210-F220 HydrophobicContact CG1-CD2 4.05Å; V210-F220 HydrophobicContact CG1-CE2 3.46Å; V210-F220 VanDerWaalsContact CG1-CE2 3.46Å; V210-F220 HydrophobicContact CG1-CZ 3.77Å; R211-F220 HydrophobicContact CB-CE1 3.82Å; R211-F220 HydrophobicContact CB-CZ 3.96Å; R211-F220 HydrophobicContact CG-CE1 4.09Å; C218-F220 PolarHBondContact O-N 2.81Å; F220-L222 HydrophobicContact CD2-CD2 4.32Å; F220-L222 HydrophobicContact CE2-CD2 4.11Å; F220-L222 HydrophobicContact CE2-CG 4.26Å; F220-V253 HydrophobicContact CB-CG1 4.29Å; F220-V253 HydrophobicContact CD2-CG1 3.89Å; F220-V253 HydrophobicContact CG-CG1 4.27Å; F220-V254 CarbonylContact C-O 3.57Å; F220-V254 VanDerWaalsContact CA-O 3.27Å; F220-V254 WeakPolarHBondContact CA-O 3.44Å; F220-T255 HydrophobicContact CB-CG2 4.08Å
221K91.1Very high85.6Confident70 Ų7090 Ų9030%0.30444%0.435SS..EExtended strand (participates in β ladder)trans-119.6149.6-178-64.4167.9167-143.70110E230 V254 D256K221-E230 HydrophobicContact CB-CG 4.37Å; K221-E230 HydrophobicContact CD-CG 4.4Å; K221-E230 WeakPolarHBondContact CD-OE1 3.38Å; K221-E230 VanDerWaalsContact CE-OE1 3.22Å; K221-E230 WeakPolarHBondContact CE-OE1 3.36Å; K221-E230 VanDerWaalsContact NZ-CD 3.34Å; K221-E230 IonicContact NZ-OE1 3.34Å; K221-E230 PolarHBondContact NZ-OE1 2.96Å; K221-E230 IonicContact NZ-OE2 2.92Å; K221-E230 PolarHBondContact NZ-OE2 3.41Å; K221-V254 PolarHBondContact N-O 3.29Å; K221-V254 PolarHBondContact O-N 3.46Å; K221-D256 VanDerWaalsContact CE-OD2 3.27Å; K221-D256 WeakPolarHBondContact CE-OD2 3.46Å
222L93.4Very high85.5Confident3 Ų386.1 Ų86.12%0.01643%0.429CS..EExtended strand (participates in β ladder)trans-109.4125.6173.6-62.8176.8000108.9L203 Y207 V210 F220 Y231 L251 V253L203-L222 HydrophobicContact CD1-CD1 4.32Å; Y207-L222 HydrophobicContact CD2-CD1 4.12Å; V210-L222 HydrophobicContact CG1-CD2 4.34Å; V210-L222 HydrophobicContact CG2-CD2 4.4Å; F220-L222 HydrophobicContact CD2-CD2 4.32Å; F220-L222 HydrophobicContact CE2-CD2 4.11Å; F220-L222 HydrophobicContact CE2-CG 4.26Å; L222-Y231 HydrophobicContact CB-CD2 4.24Å; L222-Y231 WeakPolarHBondContact O-CD2 3.25Å; L222-Y231 PolarHBondContact O-N 3.22Å; L222-L251 HydrophobicContact CD1-CD1 4.32Å; L222-V253 HydrophobicContact CD2-CG2 3.96Å
223I93.5Very high85.4Confident40 Ų4086.1 Ų86.121%0.20543%0.429CS..EExtended strand (participates in β ladder)trans-122.9120.8-179.6-53.4179.8000109.7L225 Y229 E230 L251 L252 V254I223-L225 PolarHBondContact O-N 3.41Å; I223-Y229 CarbonylContact C-O 3.57Å; I223-Y229 VanDerWaalsContact CA-O 3.3Å; I223-Y229 WeakPolarHBondContact CA-O 3.4Å; I223-E230 HydrophobicContact CG1-CB 4.27Å; I223-E230 HydrophobicContact CG1-CG 4.23Å; I223-L251 CarbonylContact O-C 3.59Å; I223-L251 WeakPolarHBondContact O-CA 3.09Å; I223-L252 HydrophobicContact CB-CB 4.45Å; I223-L252 PolarHBondContact N-O 2.87Å; I223-L252 PolarHBondContact O-N 3.3Å; I223-V254 HydrophobicContact CD1-CG2 3.84Å; I223-V254 HydrophobicContact CG1-CG2 4.42Å
224C92.3Very high85.5Confident10 Ų1086.3 Ų86.37%0.06844%0.439CS..EExtended strand (participates in β ladder)trans-72127.4174.3176.90000110.8F226 S227 R228 Y229 Y231 L251C224-F226 VanDerWaalsContact C-N 3.34Å; C224-F226 PolarHBondContact O-N 3.31Å; C224-S227 WeakPolarHBondContact CB-OG 3.27Å; C224-R228 WeakPolarHBondContact O-CA 3.22Å; C224-R228 PolarHBondContact O-N 3.38Å; C224-Y229 PolarHBondContact N-O 3.08Å; C224-Y231 HydrophobicContact CB-CE2 3.83Å; C224-L251 HydrophobicContact CB-CD2 3.98Å
225L84.8Confident85.9Confident81 Ų8185 Ų8542%0.42443%0.431SS..THydrogen-bonded Turntrans-65.2-32.8-175.6-69.8-175.7000114I223 V250 L252I223-L225 PolarHBondContact O-N 3.41Å; L225-V250 HydrophobicContact CD1-CB 3.96Å; L225-V250 HydrophobicContact CD1-CG1 3.51Å; L225-V250 HydrophobicContact CG-CB 4.37Å; L225-V250 HydrophobicContact CG-CG1 4.21Å; L225-V250 PolarHBondContact N-O 2.87Å; L225-L252 HydrophobicContact CD2-CB 4.05Å
226F77.8Confident86.7Confident172 Ų17277.6 Ų77.675%0.75440%0.398SS*.THydrogen-bonded Turntrans-82.3-47.9-174.6-70.2-77.9000112.8C224C224-F226 VanDerWaalsContact C-N 3.34Å; C224-F226 PolarHBondContact O-N 3.31Å
227S84Confident87.6Confident76 Ų7676.7 Ų76.753%0.53140%0.399SS..THydrogen-bonded Turntrans-81.5-19.6176.759.90000113.2C224 Y229C224-S227 WeakPolarHBondContact CB-OG 3.27Å; S227-Y229 PolarHBondContact O-N 3.22Å; S227-Y229 WeakPolarHBondContact OG-CB 3.36Å; S227-Y229 PolarHBondContact OG-N 2.84Å
228R84.3Confident88.5Confident213 Ų21373.7 Ų73.780%0.80437%0.372SS*.  trans55.427.5-167-60.9-177.5-67.5-161.5-3.3113.1C224C224-R228 WeakPolarHBondContact O-CA 3.22Å; C224-R228 PolarHBondContact O-N 3.38Å
229Y90.6Very high89.5Confident109 Ų10972 Ų7243%0.42736%0.361SS..  trans-80130176.3-166.6-96.4000110.6I223 C224 S227 Y231I223-Y229 CarbonylContact C-O 3.57Å; I223-Y229 VanDerWaalsContact CA-O 3.3Å; I223-Y229 WeakPolarHBondContact CA-O 3.4Å; C224-Y229 PolarHBondContact N-O 3.08Å; S227-Y229 PolarHBondContact O-N 3.22Å; S227-Y229 WeakPolarHBondContact OG-CB 3.36Å; S227-Y229 PolarHBondContact OG-N 2.84Å; Y229-Y231 AromaticContact CD1-CD1 3.59Å; Y229-Y231 HydrophobicContact CD1-CD1 3.59Å; Y229-Y231 AromaticContact CD1-CE1 3.58Å; Y229-Y231 HydrophobicContact CD1-CE1 3.58Å; Y229-Y231 HydrophobicContact CD1-CG 4.12Å; Y229-Y231 AromaticContact CE1-CD1 3.74Å; Y229-Y231 HydrophobicContact CE1-CD1 3.74Å; Y229-Y231 HydrophobicContact CE1-CE1 4.02Å; Y229-Y231 HydrophobicContact CE1-CG 4.44Å
230E92.7Very high89.9Confident75 Ų7567.5 Ų67.535%0.3534%0.337SS..EExtended strand (participates in β ladder)trans-93.2112.5172.4-177.7-174.5132.300108.7K221 I223 C232K221-E230 HydrophobicContact CB-CG 4.37Å; K221-E230 HydrophobicContact CD-CG 4.4Å; K221-E230 WeakPolarHBondContact CD-OE1 3.38Å; K221-E230 VanDerWaalsContact CE-OE1 3.22Å; K221-E230 WeakPolarHBondContact CE-OE1 3.36Å; K221-E230 VanDerWaalsContact NZ-CD 3.34Å; K221-E230 IonicContact NZ-OE1 3.34Å; K221-E230 PolarHBondContact NZ-OE1 2.96Å; K221-E230 IonicContact NZ-OE2 2.92Å; K221-E230 PolarHBondContact NZ-OE2 3.41Å; I223-E230 HydrophobicContact CG1-CB 4.27Å; I223-E230 HydrophobicContact CG1-CG 4.23Å; E230-C232 PolarHBondContact O-N 2.93Å
231Y91.5Very high90Very high19 Ų1971.3 Ų71.38%0.07536%0.355CS..EExtended strand (participates in β ladder)trans-73.5126.2179.9-62.3-75.8000110.8L203 L222 C224 Y229 D235 L243 L245 L251L203-Y231 HydrophobicContact CD2-CD1 3.85Å; L203-Y231 HydrophobicContact CD2-CD2 4.34Å; L203-Y231 HydrophobicContact CD2-CG 3.63Å; L222-Y231 HydrophobicContact CB-CD2 4.24Å; L222-Y231 WeakPolarHBondContact O-CD2 3.25Å; L222-Y231 PolarHBondContact O-N 3.22Å; C224-Y231 HydrophobicContact CB-CE2 3.83Å; Y229-Y231 AromaticContact CD1-CD1 3.59Å; Y229-Y231 HydrophobicContact CD1-CD1 3.59Å; Y229-Y231 AromaticContact CD1-CE1 3.58Å; Y229-Y231 HydrophobicContact CD1-CE1 3.58Å; Y229-Y231 HydrophobicContact CD1-CG 4.12Å; Y229-Y231 AromaticContact CE1-CD1 3.74Å; Y229-Y231 HydrophobicContact CE1-CD1 3.74Å; Y229-Y231 HydrophobicContact CE1-CE1 4.02Å; Y229-Y231 HydrophobicContact CE1-CG 4.44Å; Y231-D235 HydrophobicContact CD1-CB 3.98Å; Y231-L243 HydrophobicContact CD1-CD1 4Å; Y231-L243 HydrophobicContact CD1-CD2 4.18Å; Y231-L243 HydrophobicContact CE1-CB 4.05Å; Y231-L243 HydrophobicContact CE1-CD1 3.9Å; Y231-L243 HydrophobicContact CE1-CD2 3.91Å; Y231-L243 HydrophobicContact CE1-CG 4.18Å; Y231-L245 HydrophobicContact CE2-CD2 4.41Å; Y231-L245 WeakPolarHBondContact OH-CD2 3.35Å; Y231-L251 HydrophobicContact CD2-CD2 4.37Å; Y231-L251 HydrophobicContact CE2-CD2 3.73Å
232C88.1Confident90Very high65 Ų6574.5 Ų74.544%0.43937%0.371SS..  trans-99.2173.6-178.4-67.20000110.9E230 N234 D235E230-C232 PolarHBondContact O-N 2.93Å; C232-N234 PolarHBondContact O-N 3.4Å; C232-N234 VanDerWaalsContact O-N 3.09Å; C232-D235 PolarHBondContact N-OD2 2.93Å; C232-D235 WeakPolarHBondContact O-CB 3.46Å; C232-D235 PolarHBondContact O-N 3.04Å
233S87.8Confident90Very high90 Ų9075.6 Ų75.663%0.62938%0.377SS*.G310 helixtrans-56.1-30.6179.5-48.50000113.6D235 L236S233-D235 PolarHBondContact O-N 2.9Å; S233-L236 WeakPolarHBondContact O-CB 3.43Å; S233-L236 PolarHBondContact O-N 3.13Å
234N90.3Very high89.8Confident138 Ų13876.6 Ų76.674%0.73840%0.397SS*.G310 helixtrans-72.7-13.1177.1-62.6-3.9000113.7C232C232-N234 PolarHBondContact O-N 3.4Å; C232-N234 VanDerWaalsContact O-N 3.09Å
235D91.3Very high89.7Confident4 Ų476.1 Ų76.12%0.02139%0.394CS..G310 helixtrans-94.6-14.8177.2-55.8-55.4000112L203 Y231 C232 S233 D237 K238 L243L203-D235 HydrophobicContact CD2-CB 4.2Å; Y231-D235 HydrophobicContact CD1-CB 3.98Å; C232-D235 PolarHBondContact N-OD2 2.93Å; C232-D235 WeakPolarHBondContact O-CB 3.46Å; C232-D235 PolarHBondContact O-N 3.04Å; S233-D235 PolarHBondContact O-N 2.9Å; D235-D237 PolarHBondContact O-N 2.95Å; D235-K238 PolarHBondContact O-N 3.2Å; D235-K238 IonicContact OD1-NZ 3.26Å; D235-K238 PolarHBondContact OD1-NZ 3.02Å; D235-L243 HydrophobicContact CB-CD2 4.22Å
236L91Very high89.9Confident30 Ų3073.9 Ų73.916%0.15738%0.382CS..THydrogen-bonded Turntrans-61.8-33.8179.2-65.1176.5000112.5S202 L203 R204 Y207 S233 K238S202-L236 WeakPolarHBondContact CB-O 3.46Å; L203-L236 HydrophobicContact CD2-CD2 4.18Å; L203-L236 HydrophobicContact CG-CD2 4.25Å; L203-L236 PolarHBondContact N-O 3.5Å; R204-L236 HydrophobicContact CB-CB 4.41Å; R204-L236 WeakPolarHBondContact CB-O 3.34Å; R204-L236 PolarHBondContact N-O 3.07Å; Y207-L236 HydrophobicContact CD2-CD2 3.84Å; Y207-L236 HydrophobicContact CG-CD2 3.85Å; S233-L236 WeakPolarHBondContact O-CB 3.43Å; S233-L236 PolarHBondContact O-N 3.13Å; L236-K238 VanDerWaalsContact C-N 3.34Å
237D92.2Very high90.4Very high118 Ų11867.1 Ų67.163%0.63136%0.355SS*.THydrogen-bonded Turntrans-85.8-4.8-178-57.9-38.8000113.2R204 D235R204-D237 IonicContact NH1-OD1 4Å; D235-D237 PolarHBondContact O-N 2.95Å
238K93.8Very high90.7Very high74 Ų7466.1 Ų66.132%0.32235%0.349SS..SBendtrans-86.7150.9177.4-62.9175.1-174.1166.10111.4S202 L203 D235 L236 E242 L243S202-K238 VanDerWaalsContact CA-O 3.26Å; S202-K238 WeakPolarHBondContact CA-O 3.4Å; L203-K238 PolarHBondContact N-O 3.21Å; D235-K238 PolarHBondContact O-N 3.2Å; D235-K238 IonicContact OD1-NZ 3.26Å; D235-K238 PolarHBondContact OD1-NZ 3.02Å; L236-K238 VanDerWaalsContact C-N 3.34Å; K238-E242 HydrophobicContact CB-CB 4.45Å; K238-L243 HydrophobicContact CB-CD1 4.41Å; K238-L243 HydrophobicContact CB-CD2 4.05Å; K238-L243 HydrophobicContact CB-CG 4.05Å; K238-L243 HydrophobicContact CD-CD2 3.69Å
239S94.3Very high91.1Very high18 Ų1856.2 Ų56.213%0.12631%0.312CS..BIsolated β-bridgetrans-69154.2176.262.40000112.9E201 E241 E242 L243E201-S239 CarbonylContact O-C 3.49Å; E201-S239 VanDerWaalsContact O-CA 3.27Å; E201-S239 WeakPolarHBondContact O-CA 3.33Å; S239-E241 PolarHBondContact O-N 3.29Å; S239-E242 PolarHBondContact O-N 3.2Å; S239-E242 WeakPolarHBondContact OG-CB 3.5Å; S239-E242 VanDerWaalsContact OG-CD 3.24Å; S239-E242 VanDerWaalsContact OG-CG 3.22Å; S239-E242 WeakPolarHBondContact OG-CG 3.19Å; S239-E242 PolarHBondContact OG-N 3.09Å; S239-E242 PolarHBondContact OG-OE1 2.93Å; S239-L243 WeakPolarHBondContact O-CG 3.37Å; S239-L243 PolarHBondContact O-N 3.33Å; S239-L243 VanDerWaalsContact O-N 3.16Å
240L92.9Very high91.3Very high0 Ų052.2 Ų52.20%030%0.299CS..THydrogen-bonded Turntrans-62.2-29.5174-64.1179.3000112A181 I183 F197 K199 E201 L203 V206 G244 L245A181-L240 HydrophobicContact CB-CB 4.2Å; A181-L240 HydrophobicContact CB-CD1 3.97Å; I183-L240 HydrophobicContact CG1-CD1 4.46Å; F197-L240 HydrophobicContact CB-CD1 3.43Å; F197-L240 VanDerWaalsContact CB-CD1 3.43Å; F197-L240 HydrophobicContact CD2-CD1 4.32Å; F197-L240 HydrophobicContact CG-CD1 3.86Å; K199-L240 PolarHBondContact O-N 3.37Å; E201-L240 WeakPolarHBondContact O-CG 3.46Å; E201-L240 PolarHBondContact O-N 3.42Å; L203-L240 HydrophobicContact CB-CD2 4.47Å; L203-L240 HydrophobicContact CD1-CD2 4.25Å; V206-L240 HydrophobicContact CG2-CD1 4.27Å; V206-L240 HydrophobicContact CG2-CD2 3.89Å; L240-G244 PolarHBondContact O-N 3.23Å; L240-L245 HydrophobicContact CB-CB 4.23Å; L240-L245 HydrophobicContact CD2-CB 4.24Å; L240-L245 HydrophobicContact CD2-CD1 3.58Å; L240-L245 WeakPolarHBondContact O-CB 3.5Å; L240-L245 PolarHBondContact O-N 2.9Å
241E91.9Very high91.4Very high93 Ų9348.6 Ų48.644%0.43528%0.282SS..THydrogen-bonded Turntrans-63.9-50.6170.5-174.3162.5-158.400112.2K199 S239 L243 G244K199-E241 HydrophobicContact CB-CB 4.36Å; K199-E241 WeakPolarHBondContact CD-OE2 3.27Å; K199-E241 WeakPolarHBondContact CE-OE2 3.42Å; K199-E241 IonicContact NZ-OE1 3.17Å; K199-E241 PolarHBondContact NZ-OE1 2.88Å; K199-E241 IonicContact NZ-OE2 2.79Å; K199-E241 PolarHBondContact NZ-OE2 3.09Å; K199-E241 PolarHBondContact O-N 3.38Å; K199-E241 VanDerWaalsContact O-N 3.09Å; S239-E241 PolarHBondContact O-N 3.29Å; E241-L243 PolarHBondContact O-N 2.9Å; E241-G244 PolarHBondContact O-N 2.67Å; E241-G244 VanDerWaalsContact O-N 3.11Å
242E92.4Very high91.5Very high136 Ų13650.8 Ų50.864%0.63630%0.295SS*.THydrogen-bonded Turntrans-60.6-30.8177.7-79.3162.8-117.400113.9K238 S239 G244K238-E242 HydrophobicContact CB-CB 4.45Å; S239-E242 PolarHBondContact O-N 3.2Å; S239-E242 WeakPolarHBondContact OG-CB 3.5Å; S239-E242 VanDerWaalsContact OG-CD 3.24Å; S239-E242 VanDerWaalsContact OG-CG 3.22Å; S239-E242 WeakPolarHBondContact OG-CG 3.19Å; S239-E242 PolarHBondContact OG-N 3.09Å; S239-E242 PolarHBondContact OG-OE1 2.93Å; E242-G244 VanDerWaalsContact C-N 3.32Å
243L91.8Very high91.7Very high26 Ų2647.8 Ų47.814%0.13627%0.274CS..THydrogen-bonded Turntrans-85.3-1.2179.6-65.1-178.5000114.1L203 Y231 D235 K238 S239 E241 L245L203-L243 HydrophobicContact CB-CD1 3.64Å; L203-L243 HydrophobicContact CD1-CD1 4.28Å; L203-L243 HydrophobicContact CD2-CD1 3.74Å; L203-L243 HydrophobicContact CG-CD1 4.08Å; Y231-L243 HydrophobicContact CD1-CD1 4Å; Y231-L243 HydrophobicContact CD1-CD2 4.18Å; Y231-L243 HydrophobicContact CE1-CB 4.05Å; Y231-L243 HydrophobicContact CE1-CD1 3.9Å; Y231-L243 HydrophobicContact CE1-CD2 3.91Å; Y231-L243 HydrophobicContact CE1-CG 4.18Å; D235-L243 HydrophobicContact CB-CD2 4.22Å; K238-L243 HydrophobicContact CB-CD1 4.41Å; K238-L243 HydrophobicContact CB-CD2 4.05Å; K238-L243 HydrophobicContact CB-CG 4.05Å; K238-L243 HydrophobicContact CD-CD2 3.69Å; S239-L243 WeakPolarHBondContact O-CG 3.37Å; S239-L243 PolarHBondContact O-N 3.33Å; S239-L243 VanDerWaalsContact O-N 3.16Å; E241-L243 PolarHBondContact O-N 2.9Å; L243-L245 VanDerWaalsContact C-N 3.33Å; L243-L245 HydrophobicContact CB-CD1 3.81Å; L243-L245 HydrophobicContact CB-CG 3.92Å; L243-L245 HydrophobicContact CD1-CD1 3.99Å
244G89.9Confident91.9Very high61 Ų6145.9 Ų45.963%0.62926%0.259SS*.THydrogen-bonded Turntrans6633.9-176.500000113.3L240 E241 E242L240-G244 PolarHBondContact O-N 3.23Å; E241-G244 PolarHBondContact O-N 2.67Å; E241-G244 VanDerWaalsContact O-N 3.11Å; E242-G244 VanDerWaalsContact C-N 3.32Å
245L90.9Very high91.7Very high0 Ų040.3 Ų40.30%023%0.23CC..  trans-97.6-10.1-179.9-64.2172.2000113.2I183 L203 Y231 L240 L243 A249 L251I183-L245 HydrophobicContact CD1-CB 3.86Å; L203-L245 HydrophobicContact CD1-CD1 3.94Å; Y231-L245 HydrophobicContact CE2-CD2 4.41Å; Y231-L245 WeakPolarHBondContact OH-CD2 3.35Å; L240-L245 HydrophobicContact CB-CB 4.23Å; L240-L245 HydrophobicContact CD2-CB 4.24Å; L240-L245 HydrophobicContact CD2-CD1 3.58Å; L240-L245 WeakPolarHBondContact O-CB 3.5Å; L240-L245 PolarHBondContact O-N 2.9Å; L243-L245 VanDerWaalsContact C-N 3.33Å; L243-L245 HydrophobicContact CB-CD1 3.81Å; L243-L245 HydrophobicContact CB-CG 3.92Å; L243-L245 HydrophobicContact CD1-CD1 3.99Å; L245-A249 HydrophobicContact CB-CB 4.13Å; L245-A249 HydrophobicContact CD2-CB 3.32Å; L245-A249 HydrophobicContact CG-CB 4.35Å; L245-L251 HydrophobicContact CD2-CD2 3.95Å
246N88.7Confident90.8Very high34 Ų3442.6 Ų42.618%0.18224%0.242CC..SBendtrans-83.2136.4168-178.7-0.2000109.9S178 H180 A181 K199S178-N246 PolarHBondContact O-ND2 3.11Å; S178-N246 PolarHBondContact O-OD1 2.95Å; H180-N246 PolarHBondContact O-OD1 3.07Å; A181-N246 HydrophobicContact CB-CB 4.25Å; K199-N246 HydrophobicContact CB-CB 4.34Å; K199-N246 WeakPolarHBondContact CB-ND2 3.34Å; K199-N246 VanDerWaalsContact CD-ND2 3.32Å; K199-N246 WeakPolarHBondContact CD-ND2 3.42Å
247P89Confident89.3Confident30 Ų3048.2 Ų48.220%0.19527%0.267CS..SBendcis-92.4-14.90.436.9-37.6000114.5E175 R182E175-P247 HydrophobicContact CB-CG 4.25Å; E175-P247 HydrophobicContact CG-CG 3.78Å; E175-P247 WeakPolarHBondContact OE1-CD 3.36Å; R182-P247 PolarHBondContact N-O 2.85Å
248S90.2Very high87.2Confident56 Ų5652.6 Ų52.639%0.39228%0.275SS..EExtended strand (participates in β ladder)trans-153.4137.3172.1-163.10000112.1R182R182-S248 WeakPolarHBondContact O-CA 3.11Å; R182-S248 WeakPolarHBondContact O-CB 3.46Å; R182-S248 PolarHBondContact O-OG 3.27Å
249A92.4Very high84.9Confident4 Ų457.5 Ų57.53%0.03330%0.296CS..EExtended strand (participates in β ladder)trans-138.6154.2178.500000111.6R182 I183 Q184 L245R182-A249 PolarHBondContact O-N 3.44Å; R182-A249 VanDerWaalsContact O-N 3.13Å; I183-A249 WeakPolarHBondContact CA-O 3.39Å; I183-A249 HydrophobicContact CD1-CB 4.01Å; Q184-A249 PolarHBondContact N-O 3.21Å; L245-A249 HydrophobicContact CB-CB 4.13Å; L245-A249 HydrophobicContact CD2-CB 3.32Å; L245-A249 HydrophobicContact CG-CB 4.35Å
250V94.3Very high82.2Confident25 Ų2564.7 Ų64.715%0.15233%0.328CS..EExtended strand (participates in β ladder)trans-117.5117.8176.2-170.70000108.8Q184 R186 L225Q184-V250 HydrophobicContact CB-CG1 4.41Å; Q184-V250 HydrophobicContact CB-CG2 4.4Å; Q184-V250 CarbonylContact O-C 3.51Å; Q184-V250 WeakPolarHBondContact O-CA 3.27Å; Q184-V250 WeakPolarHBondContact O-CG1 3.3Å; R186-V250 HydrophobicContact CG-CG1 4.09Å; L225-V250 HydrophobicContact CD1-CB 3.96Å; L225-V250 HydrophobicContact CD1-CG1 3.51Å; L225-V250 HydrophobicContact CG-CB 4.37Å; L225-V250 HydrophobicContact CG-CG1 4.21Å; L225-V250 PolarHBondContact N-O 2.87Å
251L94.6Very high79.4Confident0 Ų070.1 Ų70.10%037%0.366CS..EExtended strand (participates in β ladder)trans-105.6129-179.3-58.8-176.3000109.8I183 Q184 C185 R186 L203 V206 L222 I223 C224 Y231 L245I183-L251 HydrophobicContact CG2-CD1 3.67Å; I183-L251 HydrophobicContact CG2-CG 3.88Å; Q184-L251 PolarHBondContact O-N 3.21Å; C185-L251 CarbonylContact C-O 3.56Å; C185-L251 VanDerWaalsContact CA-O 3.32Å; C185-L251 WeakPolarHBondContact CA-O 3.31Å; R186-L251 PolarHBondContact N-O 3.1Å; L203-L251 HydrophobicContact CD1-CD1 4.47Å; V206-L251 HydrophobicContact CG1-CD1 4.03Å; L222-L251 HydrophobicContact CD1-CD1 4.32Å; I223-L251 CarbonylContact O-C 3.59Å; I223-L251 WeakPolarHBondContact O-CA 3.09Å; C224-L251 HydrophobicContact CB-CD2 3.98Å; Y231-L251 HydrophobicContact CD2-CD2 4.37Å; Y231-L251 HydrophobicContact CE2-CD2 3.73Å; L245-L251 HydrophobicContact CD2-CD2 3.95Å
252L94.2Very high76.9Confident65 Ų6571.6 Ų71.634%0.3438%0.375SS..EExtended strand (participates in β ladder)trans-86.9125.3167.7-172.670.4000108.9R186 I223 L225 V254R186-L252 HydrophobicContact CB-CD1 4.27Å; I223-L252 HydrophobicContact CB-CB 4.45Å; I223-L252 PolarHBondContact N-O 2.87Å; I223-L252 PolarHBondContact O-N 3.3Å; L225-L252 HydrophobicContact CD2-CB 4.05Å; L252-V254 HydrophobicContact CD2-CG2 3.78Å; L252-V254 HydrophobicContact CG-CG2 3.9Å
253V92.9Very high74.3Confident1 Ų171.1 Ų71.11%0.00638%0.382CS..EExtended strand (participates in β ladder)trans-86.2119.2171.3-173.40000107.7C185 R186 F187 P188 V210 F220 L222C185-V253 HydrophobicContact CB-CG2 4.08Å; R186-V253 PolarHBondContact O-N 3.15Å; F187-V253 HydrophobicContact CD1-CB 4.05Å; F187-V253 HydrophobicContact CD1-CG1 4.08Å; F187-V253 HydrophobicContact CD1-CG2 4.01Å; F187-V253 HydrophobicContact CE1-CB 4.42Å; F187-V253 HydrophobicContact CE1-CG1 4.26Å; F187-V253 HydrophobicContact CE1-CG2 4.01Å; F187-V253 HydrophobicContact CG-CG2 4.38Å; F187-V253 HydrophobicContact CZ-CG2 4.36Å; P188-V253 WeakPolarHBondContact CD-O 3.14Å; V210-V253 HydrophobicContact CG1-CB 4.49Å; V210-V253 HydrophobicContact CG1-CG1 3.84Å; V210-V253 HydrophobicContact CG1-CG2 3.75Å; V210-V253 HydrophobicContact CG2-CG2 4.44Å; F220-V253 HydrophobicContact CB-CG1 4.29Å; F220-V253 HydrophobicContact CD2-CG1 3.89Å; F220-V253 HydrophobicContact CG-CG1 4.27Å; L222-V253 HydrophobicContact CD2-CG2 3.96Å
254V90.1Very high71.8Confident51 Ų5173.3 Ų73.331%0.30941%0.41SS..EExtended strand (participates in β ladder)trans-118.6114.3179-177.90000109.2F220 K221 I223 L252F220-V254 CarbonylContact C-O 3.57Å; F220-V254 VanDerWaalsContact CA-O 3.27Å; F220-V254 WeakPolarHBondContact CA-O 3.44Å; K221-V254 PolarHBondContact N-O 3.29Å; K221-V254 PolarHBondContact O-N 3.46Å; I223-V254 HydrophobicContact CD1-CG2 3.84Å; I223-V254 HydrophobicContact CG1-CG2 4.42Å; L252-V254 HydrophobicContact CD2-CG2 3.78Å; L252-V254 HydrophobicContact CG-CG2 3.9Å
255T86.5Confident69.7Low20 Ų2074.1 Ų74.112%0.12340%0.403CS..EExtended strand (participates in β ladder)trans-87.9124.4177.750.40000111.1P188 F220 H257P188-T255 HydrophobicContact CG-CG2 4.49Å; F220-T255 HydrophobicContact CB-CG2 4.08Å; T255-H257 PolarHBondContact O-N 2.94Å; T255-H257 PolarHBondContact OG1-CE1 2.75Å; T255-H257 PolarHBondContact OG1-NE2 3.44Å
256D73.4Confident67.8Low53 Ų5379.8 Ų79.828%0.28343%0.434SS..  trans-78.5100175.6-104.9-49.8000109.8D219 K221 R258D219-D256 PolarHBondContact O-N 3.45Å; K221-D256 VanDerWaalsContact CE-OD2 3.27Å; K221-D256 WeakPolarHBondContact CE-OD2 3.46Å; D256-R258 HydrophobicContact CB-CG 4.49Å; D256-R258 PolarHBondContact O-N 3.04Å; D256-R258 IonicContact OD1-NE 2.66Å; D256-R258 PolarHBondContact OD1-NE 3.43Å; D256-R258 VanDerWaalsContact OD1-NE 3.11Å
257H59.1Low66.1Low147 Ų14782.5 Ų82.568%0.68145%0.453SS*.  trans-7118178.2-61.5-53.9000114.7T255 K259T255-H257 PolarHBondContact O-N 2.94Å; T255-H257 PolarHBondContact OG1-CE1 2.75Å; T255-H257 PolarHBondContact OG1-NE2 3.44Å; H257-K259 VanDerWaalsContact C-N 3.26Å; H257-K259 PolarHBondContact O-N 3.29Å
258R47.8Very low64.5Low210 Ų21083.6 Ų83.679%0.79246%0.459SS*.THydrogen-bonded Turntrans-79.640.4-168.4-57.2-168-166.6-147.81.3115.6D256D256-R258 HydrophobicContact CB-CG 4.49Å; D256-R258 PolarHBondContact O-N 3.04Å; D256-R258 IonicContact OD1-NE 2.66Å; D256-R258 PolarHBondContact OD1-NE 3.43Å; D256-R258 VanDerWaalsContact OD1-NE 3.11Å
259K45.1Very low63Low178 Ų17882.3 Ų82.377%0.77445%0.454SS*.THydrogen-bonded Turntrans-1358.9170.8-71.3-179.3-177.3141.60115D219 H257D219-K259 IonicContact OD2-NZ 2.76Å; D219-K259 PolarHBondContact OD2-NZ 3.08Å; H257-K259 VanDerWaalsContact C-N 3.26Å; H257-K259 PolarHBondContact O-N 3.29Å
260Q38.9Very low61.3Low169 Ų16986.4 Ų86.479%0.7947%0.473SS*.SBendtrans-84.3133.1156-72.7-174.9-7.800108.9I262Q260-I262 VanDerWaalsContact C-N 3.34Å; Q260-I262 PolarHBondContact O-N 3.41Å
261S33.9Very low59.4Low113 Ų11390.1 Ų90.179%0.7949%0.49SS*.  trans-66.894.5171.154.60000108.9T263S261-T263 VanDerWaalsContact C-N 3.29Å; S261-T263 PolarHBondContact O-N 3.32Å
262I37.9Very low57.5Low125 Ų12592.8 Ų92.864%0.64150%0.502SS*.  trans-68.891.5173-64.7174.6000107.5Q260 G264 V265Q260-I262 VanDerWaalsContact C-N 3.34Å; Q260-I262 PolarHBondContact O-N 3.41Å; I262-G264 PolarHBondContact O-N 2.87Å; I262-G264 VanDerWaalsContact O-N 3.17Å; I262-V265 HydrophobicContact CG2-CG2 3.85Å
263T39.2Very low55.6Low125 Ų12595.6 Ų95.677%0.76752%0.517SS*.  trans-53.8115.8148-28.10000105.1S261 V265S261-T263 VanDerWaalsContact C-N 3.29Å; S261-T263 PolarHBondContact O-N 3.32Å; T263-V265 PolarHBondContact O-N 2.82Å
264G38.4Very low53.9Low72 Ų72102.7 Ų102.774%0.74255%0.548SS*.  trans-44.688-161.700000115.5I262 N266I262-G264 PolarHBondContact O-N 2.87Å; I262-G264 VanDerWaalsContact O-N 3.17Å; G264-N266 PolarHBondContact O-N 2.8Å; G264-N266 VanDerWaalsContact O-N 3.13Å
265V46.9Very low52.3Low78 Ų78103.4 Ų103.447%0.47355%0.549SS..  trans-83.791.3174.6-78.90000108.3I262 T263 P267 Q270I262-V265 HydrophobicContact CG2-CG2 3.85Å; T263-V265 PolarHBondContact O-N 2.82Å; V265-P267 WeakPolarHBondContact O-CD 3.15Å; V265-P267 VanDerWaalsContact O-N 3.08Å; V265-Q270 HydrophobicContact CB-CG 3.87Å; V265-Q270 HydrophobicContact CG1-CG 3.74Å
266N49.8Very low51Low120 Ų120108.9 Ų108.964%0.64257%0.569SS**  trans-50117.8160-86.9-25.2000107.4G264 V268 G269 Q270G264-N266 PolarHBondContact O-N 2.8Å; G264-N266 VanDerWaalsContact O-N 3.13Å; N266-V268 PolarHBondContact O-N 2.76Å; N266-G269 WeakPolarHBondContact O-CA 3.43Å; N266-G269 PolarHBondContact O-N 2.66Å; N266-Q270 PolarHBondContact O-N 3.25Å
267P54.3Low50.3Low91 Ų91108.2 Ų108.259%0.59157%0.574SS**Hα-helixtrans-61.5-32.3-177.823.1-32.4000110.7V265 M271V265-P267 WeakPolarHBondContact O-CD 3.15Å; V265-P267 VanDerWaalsContact O-N 3.08Å; P267-M271 WeakPolarHBondContact O-CB 3.09Å; P267-M271 VanDerWaalsContact O-CG 3.25Å; P267-M271 WeakPolarHBondContact O-CG 3.47Å; P267-M271 PolarHBondContact O-N 2.91Å; P267-M271 VanDerWaalsContact O-N 3.07Å
268V55.4Low50.3Low52 Ų52111.3 Ų111.332%0.31558%0.58SS.*Hα-helixtrans-59.6-48.1168.5179.30000111.5N266 M271 F272N266-V268 PolarHBondContact O-N 2.76Å; V268-M271 WeakPolarHBondContact O-CB 3.45Å; V268-M271 PolarHBondContact O-N 3.3Å; V268-F272 HydrophobicContact CG1-CD2 3.64Å; V268-F272 HydrophobicContact CG1-CE2 3.5Å; V268-F272 VanDerWaalsContact CG1-CE2 3.5Å; V268-F272 WeakPolarHBondContact O-CD2 3.23Å; V268-F272 PolarHBondContact O-N 3.34Å
269G58.3Low50.7Low29 Ų29107 Ų10730%0.29957%0.572SS.*Hα-helixtrans-69.3-33-179.400000115.1N266 N273N266-G269 WeakPolarHBondContact O-CA 3.43Å; N266-G269 PolarHBondContact O-N 2.66Å; G269-N273 PolarHBondContact O-N 2.91Å; G269-N273 VanDerWaalsContact O-N 3.08Å; G269-N273 PolarHBondContact O-ND2 3.01Å
270Q55.7Low51.3Low90 Ų90102 Ų10242%0.42155%0.554SS.*Hα-helixtrans-66.6-46.8169.9-88.1-76.6-10.200110.9V265 N266 F272 N273 F274V265-Q270 HydrophobicContact CB-CG 3.87Å; V265-Q270 HydrophobicContact CG1-CG 3.74Å; N266-Q270 PolarHBondContact O-N 3.25Å; Q270-F272 VanDerWaalsContact C-N 3.33Å; Q270-F272 PolarHBondContact O-N 2.84Å; Q270-N273 PolarHBondContact O-N 3.41Å; Q270-F274 PolarHBondContact O-N 3.22Å; Q270-F274 VanDerWaalsContact O-N 3.16Å
271M55.1Low52.3Low104 Ų10498.9 Ų98.951%0.51254%0.543SS..Hα-helixtrans-57-44.6173.3-74.4-73.8-148.100111.7P267 V268 F274 I275P267-M271 WeakPolarHBondContact O-CB 3.09Å; P267-M271 VanDerWaalsContact O-CG 3.25Å; P267-M271 WeakPolarHBondContact O-CG 3.47Å; P267-M271 PolarHBondContact O-N 2.91Å; P267-M271 VanDerWaalsContact O-N 3.07Å; V268-M271 WeakPolarHBondContact O-CB 3.45Å; V268-M271 PolarHBondContact O-N 3.3Å; M271-F274 PolarHBondContact O-N 3.21Å; M271-I275 HydrophobicContact CB-CD1 4.45Å; M271-I275 WeakPolarHBondContact O-CB 3.33Å; M271-I275 WeakPolarHBondContact O-CD1 3.36Å; M271-I275 VanDerWaalsContact O-CG1 3.22Å; M271-I275 WeakPolarHBondContact O-CG1 3.41Å; M271-I275 PolarHBondContact O-N 2.94Å
272F53.9Low53.4Low55 Ų5596.9 Ų96.924%0.24153%0.527CS..Hα-helixtrans-63.2-42.7177.6-87.6-67.5000113.3E5 V39 V268 Q270 F274 I275 Y276E5-F272 WeakPolarHBondContact OE2-CE2 3.32Å; V39-F272 HydrophobicContact CG2-CE2 3.98Å; V39-F272 HydrophobicContact CG2-CZ 3.6Å; V268-F272 HydrophobicContact CG1-CD2 3.64Å; V268-F272 HydrophobicContact CG1-CE2 3.5Å; V268-F272 VanDerWaalsContact CG1-CE2 3.5Å; V268-F272 WeakPolarHBondContact O-CD2 3.23Å; V268-F272 PolarHBondContact O-N 3.34Å; Q270-F272 VanDerWaalsContact C-N 3.33Å; Q270-F272 PolarHBondContact O-N 2.84Å; F272-F274 VanDerWaalsContact C-N 3.3Å; F272-F274 PolarHBondContact O-N 3.29Å; F272-I275 PolarHBondContact O-N 3.34Å; F272-Y276 HydrophobicContact CB-CD2 4.3Å; F272-Y276 HydrophobicContact CD1-CD2 4.04Å; F272-Y276 AromaticContact CD1-CE2 3.64Å; F272-Y276 HydrophobicContact CD1-CE2 3.64Å; F272-Y276 HydrophobicContact CE1-CE2 4.31Å; F272-Y276 HydrophobicContact CG-CE2 4.45Å; F272-Y276 WeakPolarHBondContact O-CB 3.47Å; F272-Y276 VanDerWaalsContact O-CD2 3.31Å; F272-Y276 WeakPolarHBondContact O-CD2 3.33Å; F272-Y276 PolarHBondContact O-N 3.25Å
273N54.7Low54.3Low124 Ų12493 Ų9366%0.66351%0.513SS*.Hα-helixtrans-62.4-37.3176.7-91.5-53000112.5G269 Q270 G277G269-N273 PolarHBondContact O-N 2.91Å; G269-N273 VanDerWaalsContact O-N 3.08Å; G269-N273 PolarHBondContact O-ND2 3.01Å; Q270-N273 PolarHBondContact O-N 3.41Å; N273-G277 PolarHBondContact O-N 3.4Å
274F58.4Low55.1Low150 Ų15096.6 Ų96.666%0.65851%0.513SS*.Hα-helixtrans-68.6-42172.1-88.7-91.2000112.5Q270 M271 F272 G277 W278Q270-F274 PolarHBondContact O-N 3.22Å; Q270-F274 VanDerWaalsContact O-N 3.16Å; M271-F274 PolarHBondContact O-N 3.21Å; F272-F274 VanDerWaalsContact C-N 3.3Å; F272-F274 PolarHBondContact O-N 3.29Å; F274-G277 PolarHBondContact O-N 3.29Å; F274-W278 VanDerWaalsContact O-CB 3.27Å; F274-W278 WeakPolarHBondContact O-CB 3.49Å; F274-W278 PolarHBondContact O-N 2.98Å
275I56.5Low55.9Low66 Ų66102.5 Ų102.534%0.33851%0.513SS..Hα-helixtrans-67.8-45.6-179.7-68.7163.6000111.6M271 F272 G277 W278 L279M271-I275 HydrophobicContact CB-CD1 4.45Å; M271-I275 WeakPolarHBondContact O-CB 3.33Å; M271-I275 WeakPolarHBondContact O-CD1 3.36Å; M271-I275 VanDerWaalsContact O-CG1 3.22Å; M271-I275 WeakPolarHBondContact O-CG1 3.41Å; M271-I275 PolarHBondContact O-N 2.94Å; F272-I275 PolarHBondContact O-N 3.34Å; I275-G277 VanDerWaalsContact C-N 3.34Å; I275-G277 PolarHBondContact O-N 3.36Å; I275-W278 PolarHBondContact O-N 3.38Å; I275-L279 WeakPolarHBondContact O-CB 3.39Å; I275-L279 PolarHBondContact O-N 3.3Å
276Y58.5Low56.5Low135 Ų135104.5 Ų104.553%0.52952%0.52SS..Iπ-helixtrans-63.5-40.1174-82.9-76.2000111.5F272 W278 L280F272-Y276 HydrophobicContact CB-CD2 4.3Å; F272-Y276 HydrophobicContact CD1-CD2 4.04Å; F272-Y276 AromaticContact CD1-CE2 3.64Å; F272-Y276 HydrophobicContact CD1-CE2 3.64Å; F272-Y276 HydrophobicContact CE1-CE2 4.31Å; F272-Y276 HydrophobicContact CG-CE2 4.45Å; F272-Y276 WeakPolarHBondContact O-CB 3.47Å; F272-Y276 VanDerWaalsContact O-CD2 3.31Å; F272-Y276 WeakPolarHBondContact O-CD2 3.33Å; F272-Y276 PolarHBondContact O-N 3.25Å; Y276-W278 PolarHBondContact O-N 2.9Å; Y276-L280 HydrophobicContact CD1-CD1 3.8Å; Y276-L280 HydrophobicContact CD1-CD2 4.02Å; Y276-L280 HydrophobicContact CD1-CG 4.39Å; Y276-L280 HydrophobicContact CE1-CD1 4.11Å; Y276-L280 HydrophobicContact CE1-CD2 4.18Å; Y276-L280 PolarHBondContact O-N 3.11Å
277G58.4Low56.8Low39 Ų39102.8 Ų102.840%0.40251%0.514SS..Iπ-helixtrans-69.3-26.5178.700000115.3N273 F274 I275 N281N273-G277 PolarHBondContact O-N 3.4Å; F274-G277 PolarHBondContact O-N 3.29Å; I275-G277 VanDerWaalsContact C-N 3.34Å; I275-G277 PolarHBondContact O-N 3.36Å; G277-N281 WeakPolarHBondContact O-CB 3.14Å; G277-N281 PolarHBondContact O-ND2 3.41Å
278W58.7Low56.6Low213 Ų213108.2 Ų108.281%0.80752%0.523SS*.Iπ-helixtrans-104.6-33.6-176.3-142.777.3000113.5F274 I275 Y276 P282F274-W278 VanDerWaalsContact O-CB 3.27Å; F274-W278 WeakPolarHBondContact O-CB 3.49Å; F274-W278 PolarHBondContact O-N 2.98Å; I275-W278 PolarHBondContact O-N 3.38Å; Y276-W278 PolarHBondContact O-N 2.9Å; W278-P282 WeakPolarHBondContact O-CD 3.45Å; W278-P282 WeakPolarHBondContact O-CG 3.36Å
279L56.7Low56.6Low118 Ų118111.3 Ų111.362%0.61854%0.538SS*.Iπ-helixtrans-93.6-41.4-175.7-135.686.9000113.6I275I275-L279 WeakPolarHBondContact O-CB 3.39Å; I275-L279 PolarHBondContact O-N 3.3Å
280L57.2Low56.4Low75 Ų75114 Ų11439%0.39355%0.548SS..Iπ-helixtrans-84.3-26.3179.9-88.882.5000113.3Y276 A283 W284Y276-L280 HydrophobicContact CD1-CD1 3.8Å; Y276-L280 HydrophobicContact CD1-CD2 4.02Å; Y276-L280 HydrophobicContact CD1-CG 4.39Å; Y276-L280 HydrophobicContact CE1-CD1 4.11Å; Y276-L280 HydrophobicContact CE1-CD2 4.18Å; Y276-L280 PolarHBondContact O-N 3.11Å; L280-A283 PolarHBondContact O-N 2.89Å; L280-W284 PolarHBondContact O-N 3.17Å
281N60.4Low56.2Low103 Ų103113.9 Ų113.955%0.55155%0.553SS**Hα-helixtrans-65.9-40.4-176-149.8-3.2000114.4G277 R285G277-N281 WeakPolarHBondContact O-CB 3.14Å; G277-N281 PolarHBondContact O-ND2 3.41Å; N281-R285 PolarHBondContact O-N 2.72Å
282P56.1Low55.9Low70 Ų70111.8 Ų111.846%0.45556%0.558SS.*Hα-helixtrans-71.7-32.9169.227.8-33.6000112.5W278 R285 L286W278-P282 WeakPolarHBondContact O-CD 3.45Å; W278-P282 WeakPolarHBondContact O-CG 3.36Å; P282-R285 WeakPolarHBondContact O-CB 3.36Å; P282-R285 PolarHBondContact O-N 2.66Å; P282-L286 PolarHBondContact O-N 3.02Å; P282-L286 VanDerWaalsContact O-N 3.15Å
283A57.3Low55.8Low44 Ų44120 Ų12036%0.36459%0.587SS.*Hα-helixtrans-66.2-43.4178.200000112.2L280 R285 L286 V287L280-A283 PolarHBondContact O-N 2.89Å; A283-R285 VanDerWaalsContact C-N 3.27Å; A283-R285 PolarHBondContact O-N 3.49Å; A283-L286 PolarHBondContact O-N 3.21Å; A283-L286 VanDerWaalsContact O-N 3.15Å; A283-V287 WeakPolarHBondContact O-CG2 3.49Å; A283-V287 PolarHBondContact O-N 3.34Å
284W56.8Low55.7Low200 Ų200122 Ų12276%0.75859%0.59SS**Hα-helixtrans-64.5-30.9172.4-92.737.3000112.7L280 L286 R288L280-W284 PolarHBondContact O-N 3.17Å; W284-L286 VanDerWaalsContact C-N 3.29Å; W284-L286 PolarHBondContact O-N 2.87Å; W284-R288 VanDerWaalsContact O-CB 3.32Å; W284-R288 WeakPolarHBondContact O-CB 3.35Å; W284-R288 PolarHBondContact O-N 3.13Å
285R55.9Low54.8Low196 Ų196123.2 Ų123.274%0.7460%0.596SS**Hα-helixtrans-67-28.7173.4-131.2172.9176.8153.6-2113.1N281 P282 A283N281-R285 PolarHBondContact O-N 2.72Å; P282-R285 WeakPolarHBondContact O-CB 3.36Å; P282-R285 PolarHBondContact O-N 2.66Å; A283-R285 VanDerWaalsContact C-N 3.27Å; A283-R285 PolarHBondContact O-N 3.49Å
286L59.2Low53.9Low120 Ų120125.9 Ų125.963%0.62862%0.617SS**Hα-helixtrans-84.8-43.7174.3-75164.9000112.5P282 A283 W284 R288 N289 V290P282-L286 PolarHBondContact O-N 3.02Å; P282-L286 VanDerWaalsContact O-N 3.15Å; A283-L286 PolarHBondContact O-N 3.21Å; A283-L286 VanDerWaalsContact O-N 3.15Å; W284-L286 VanDerWaalsContact C-N 3.29Å; W284-L286 PolarHBondContact O-N 2.87Å; L286-R288 VanDerWaalsContact C-N 3.29Å; L286-R288 PolarHBondContact O-N 2.85Å; L286-N289 PolarHBondContact O-N 2.92Å; L286-V290 PolarHBondContact O-N 3.49Å
287V54.8Low52.8Low84 Ų84127.1 Ų127.151%0.50963%0.632SS.*Hα-helixtrans-62.5-36.3178174.70000111.4A283 N289 V290 V291A283-V287 WeakPolarHBondContact O-CG2 3.49Å; A283-V287 PolarHBondContact O-N 3.34Å; V287-N289 PolarHBondContact O-N 3.34Å; V287-V290 PolarHBondContact O-N 2.76Å; V287-V291 HydrophobicContact CG1-CG2 3.83Å; V287-V291 WeakPolarHBondContact O-CG2 3.49Å; V287-V291 PolarHBondContact O-N 2.84Å
288R51.5Low51.9Low206 Ų206131 Ų13178%0.77765%0.648SS**Hα-helixtrans-65-18.9174.5-159174.480.8163.76.7114.1W284 L286W284-R288 VanDerWaalsContact O-CB 3.32Å; W284-R288 WeakPolarHBondContact O-CB 3.35Å; W284-R288 PolarHBondContact O-N 3.13Å; L286-R288 VanDerWaalsContact C-N 3.29Å; L286-R288 PolarHBondContact O-N 2.85Å
289N54.2Low50.7Low117 Ų117129 Ų12963%0.62665%0.652SS**Hα-helixtrans-97.4-9.6177.4-71.20.9000113.5L286 V287L286-N289 PolarHBondContact O-N 2.92Å; V287-N289 PolarHBondContact O-N 3.34Å
290V54.8Low49.8Very low85 Ų85127.1 Ų127.152%0.51566%0.662SS.*Hα-helixtrans-107.8-30.7179.81790000112.1L286 V287 G292 W293L286-V290 PolarHBondContact O-N 3.49Å; V287-V290 PolarHBondContact O-N 2.76Å; V290-G292 PolarHBondContact O-N 3.45Å; V290-W293 PolarHBondContact O-N 2.9Å; V290-W293 VanDerWaalsContact O-N 3.09Å
291V51.8Low48.7Very low88 Ų88129 Ų12953%0.53368%0.68SS.*Hα-helixtrans-64-22.5172.7173.30000112V287 W293V287-V291 HydrophobicContact CG1-CG2 3.83Å; V287-V291 WeakPolarHBondContact O-CG2 3.49Å; V287-V291 PolarHBondContact O-N 2.84Å; V291-W293 VanDerWaalsContact C-N 3.25Å; V291-W293 PolarHBondContact O-N 3.23Å
292G47.6Very low47.8Very low59 Ų59130.1 Ų130.161%0.60870%0.697SS**Hα-helixtrans-72-6.2172.500000115.9V290V290-G292 PolarHBondContact O-N 3.45Å
293W53.2Low46.9Very low228 Ų228131.5 Ų131.586%0.86471%0.714SS**Hα-helixtrans-100.9-17.9176.7-88.219.1000114.2V290 V291V290-W293 PolarHBondContact O-N 2.9Å; V290-W293 VanDerWaalsContact O-N 3.09Å; V291-W293 VanDerWaalsContact C-N 3.25Å; V291-W293 PolarHBondContact O-N 3.23Å
294F50.7Low45.9Very low166 Ų166133.7 Ų133.773%0.72873%0.732SS**Hα-helixtrans-104.8-5.4-175.5-81.1-86.2000114.9
295F41Very low45.2Very low175 Ų175128.9 Ų128.977%0.76873%0.729SS**  trans-135.591.8174.2-82.8-86.2000111.9L297F295-L297 PolarHBondContact O-N 3.49Å
296P36.3Very low44.7Very low122 Ų122125.9 Ų125.979%0.79273%0.728SS**  trans-85.798.9173.132.7-30.6000110.7
297L36.6Very low44Very low162 Ų162127 Ų12785%0.84873%0.734SS**  trans-128.983.9172-15977.4000111.8F295F295-L297 PolarHBondContact O-N 3.49Å
298V39.7Very low43.5Very low119 Ų119128.4 Ų128.472%0.72174%0.743SS**  14.4122.6120.8175.10000113.9
299L34Very low43Very low172 Ų172127.1 Ų127.190%0.90175%0.745SS**  cis-163.6153.823-163.474.9000108.7
300G36.4Very low42.3Very low79 Ų79125.3 Ų125.381%0.81475%0.754SS**  trans157.477168.600000115.4
301S34.9Very low41.8Very low113 Ų113129.1 Ų129.179%0.7976%0.764SS**  trans-92137.9179.5-172.50000112.5
302S40.1Very low41.4Very low127 Ų127131 Ų13189%0.88877%0.771SS**  trans-156141.4149-83.80000110.1
303A38.1Very low41.6Very low100 Ų100135 Ų13583%0.82678%0.783SS**  trans-120.9152.7-164.100000112.7
304A36.9Very low40.9Very low90 Ų90131 Ų13174%0.74478%0.779SS**  trans176.2108.1152.900000106.1
305S41.1Very low40.8Very low98 Ų98129.9 Ų129.969%0.68579%0.785SS**  96.8152.654.774.40000112.6
306N45.2Very low40.7Very low133 Ų133124.1 Ų124.171%0.71178%0.775SS**  trans86.2107.4176.9-5017.3000113.2
307D44.2Very low41.1Very low144 Ų144129.9 Ų129.977%0.7778%0.781SS**  90.7143.163.5-80.6-30.9000111.8
308V45.9Very low41.5Very low114 Ų114127.6 Ų127.669%0.69178%0.776SS**  cis-166168.6-19.8104.10000108.4
309H39.4Very low41.5Very low179 Ų179133.6 Ų133.683%0.82979%0.785SS**  trans79.4138.5161.2-111.576.4000121.1
310G39.9Very low42.1Very low78 Ų78137.6 Ų137.680%0.80479%0.788SS**  trans150.690172.700000111.4
311K44.5Very low42.4Very low166 Ų166137.7 Ų137.772%0.72279%0.789SS**  trans-115.5145.6-164-131-173.4168.9-165.60112.4
312D43.2Very low42.6Very low127 Ų127135.6 Ų135.668%0.67979%0.786SS**  trans61.6158157.7-47-36.8000116.1
313V51.3Low43.3Very low144 Ų144137.6 Ų137.687%0.87379%0.785SS**  cis-148.8159.715.1-141.20000111.3
314D39Very low43.7Very low143 Ų143138.4 Ų138.477%0.76578%0.782SS**  trans-86.8136.5174.5163.838000113.4
315V48.7Very low43.8Very low142 Ų142145.9 Ų145.986%0.86179%0.791SS**  trans-149.9104.1154.9-172.50000113.2
316G39.7Very low43.9Very low54 Ų54153.4 Ų153.456%0.55781%0.805SS**  71.3107.5120.400000123.5
317R45.1Very low43.6Very low244 Ų244150.5 Ų150.592%0.92181%0.806SS**  47.6164.4115-81.9-168.1174.6-156.61.6122.5
318P43.4Very low43.5Very low114 Ų114148.6 Ų148.674%0.7480%0.804SS**  cis-141.9-175.6-30.440-21000115.7
319R41.3Very low43.5Very low244 Ų244149.6 Ų149.692%0.92181%0.806SS**  trans-42142.8170.5-69.3170.3147.6104.1-5.5118.3
320R45.4Very low44.1Very low256 Ų256147.8 Ų147.897%0.96680%0.802SS**  trans-160.1145141.4-105.7-177.5173.3-157.3-1.1107.6
321G42.2Very low44.5Very low81 Ų81150.8 Ų150.884%0.83580%0.8SS**  cis-169.2174.8-6.800000109.8
322G38.9Very low44.6Very low69 Ų69150.2 Ų150.271%0.71180%0.804SS**  trans-146.6156.6170.600000110.3
323L55.4Low45Very low169 Ų169150.8 Ų150.889%0.88581%0.808SS**  trans178.4159.3175-92.8140.9000106.9
324P46.5Very low45.2Very low117 Ų117152.3 Ų152.376%0.7681%0.811SS**  -136.8177.7-55.635.2-16.5000113.8
325R38.7Very low46.1Very low248 Ų248149.6 Ų149.694%0.93680%0.803SS**  trans-81.1137.9163.3-79.3175.7163.1171.3-7.6111.7
326R43.2Very low46.2Very low255 Ų255149.5 Ų149.596%0.96280%0.798SS**  trans-165.2150.9152.2-97.6-176.8174.8-156.1-3.4105.7
327G39.1Very low46.7Very low72 Ų72151.3 Ų151.374%0.74281%0.808SS**  cis155.2122.7-1.600000108.5
328S42.5Very low47.1Very low104 Ų104145.2 Ų145.273%0.72780%0.797SS**  trans22.4140.8163.6-111.10000123
329D46.2Very low47.5Very low135 Ų135151.2 Ų151.272%0.72281%0.805SS**  trans87.4148.2141.4-50.3-17.8000119.8
330D51.5Low47.8Very low141 Ų141145.7 Ų145.775%0.75479%0.794SS**  trans76.9102.5163.1-49.9-23.5000120.6
331D49.5Very low47.5Very low142 Ų142137.7 Ų137.776%0.75979%0.791SS**  61.5133.1126.8-56.9-17.9000123.7
332D46Very low47.3Very low153 Ų153139.5 Ų139.582%0.81878%0.781SS**  trans47.588.7145.5-61.5-18.8000120
333D51.6Low47.9Very low139 Ų139142.3 Ų142.374%0.74379%0.79SS**  trans-151.3107.8139.9-145.6-36.6000113.1S335D333-S335 PolarHBondContact O-N 3.17Å; D333-S335 WeakPolarHBondContact OD1-CB 3.29Å; D333-S335 PolarHBondContact OD1-OG 3.4Å
334D54.9Low47.6Very low176 Ų176139.6 Ų139.694%0.94178%0.781SS**  trans-84.235.5-172.4-147.66.3000112.2
335S58.1Low47.5Very low87 Ų87143.2 Ų143.261%0.60879%0.788SS**  trans-117.46-16157.60000115.7D333D333-S335 PolarHBondContact O-N 3.17Å; D333-S335 WeakPolarHBondContact OD1-CB 3.29Å; D333-S335 PolarHBondContact OD1-OG 3.4Å
336N51.1Low48.2Very low139 Ų139140.3 Ų140.374%0.74379%0.785SS**  trans-119.446.2-178.2-142.8-5.1000114.2V338N336-V338 VanDerWaalsContact C-N 3.32Å; N336-V338 PolarHBondContact O-N 3.03Å
337A50.1Low48Very low93 Ų93140 Ų14077%0.76980%0.801SS**  trans-69.982.6172.700000111.6W339A337-W339 VanDerWaalsContact C-N 3.31Å; A337-W339 PolarHBondContact O-N 3.38Å
338V54.1Low48.5Very low115 Ų115143.5 Ų143.570%0.69780%0.804SS**  trans-72.286.3175.8-171.30000110.1N336 N340N336-V338 VanDerWaalsContact C-N 3.32Å; N336-V338 PolarHBondContact O-N 3.03Å; V338-N340 PolarHBondContact O-N 3.31Å
339W52Low48.8Very low241 Ų241145.5 Ų145.591%0.91381%0.808SS**  trans-69.284.1-173-151.254.9000112.1A337A337-W339 VanDerWaalsContact C-N 3.31Å; A337-W339 PolarHBondContact O-N 3.38Å
340N48Very low48.9Very low128 Ų128146.1 Ų146.168%0.68481%0.813SS**  trans-95.7120.516685.277.8000110.1V338 N342V338-N340 PolarHBondContact O-N 3.31Å; N340-N342 VanDerWaalsContact C-N 3.34Å; N340-N342 PolarHBondContact O-N 3.31Å
341G38.6Very low48.8Very low87 Ų87146.4 Ų146.490%0.89782%0.816SS**  trans-8168.1-169.600000114.2
342N38Very low48.8Very low119 Ų119146.7 Ų146.764%0.63682%0.82SS**  trans-131.977.1171-172.111.6000112.2N340 T344N340-N342 VanDerWaalsContact C-N 3.34Å; N340-N342 PolarHBondContact O-N 3.31Å; N342-T344 PolarHBondContact O-N 3.4Å; N342-T344 VanDerWaalsContact O-N 3.16Å; N342-T344 PolarHBondContact OD1-OG1 3.24Å
343S51.8Low48.9Very low128 Ų128146.3 Ų146.390%0.89582%0.82SS**  trans-82.683.2172.5-62.40000111.5
344T49.2Very low48.8Very low112 Ų112146.8 Ų146.869%0.68783%0.825SS**  trans-115.579160.7-50.40000109.8N342N342-T344 PolarHBondContact O-N 3.4Å; N342-T344 VanDerWaalsContact O-N 3.16Å; N342-T344 PolarHBondContact OD1-OG1 3.24Å
345Q44.3Very low48.3Very low194 Ų194144.5 Ų144.591%0.90782%0.817SS**  trans-125.4112.6158.9-79.2-175.4-10.500107.3
346Q52.4Low47.5Very low186 Ų186149.3 Ų149.387%0.86983%0.834SS**  trans-93.5150.2167.1-70.3-177.3-20.300108.7
347L40.2Very low47.1Very low250 Ų250150.3 Ų150.3100%1.30984%0.842SS**  trans-56.10176.3-85.3144.9000113.2

Retrieved 347 of 347 residues in 831.7 ms (Link to these results)

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