A0A077ZLN0_TRITR Loading...

HTH-type transcriptional regulator glxA

AlphaFold DB , UniProt , Accession A0A077ZLN0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 284 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
1M69.7Low80.6Confident149 Ų14972.9 Ų72.973%0.73437%0.374SS*.  0117.90-173.3-177.3-71.700107.5R6 M9M1-R6 HydrophobicContact CG-CB 4.29Å; M1-R6 VanDerWaalsContact SD-CA 3.52Å; M1-R6 HydrophobicContact SD-CB 3.8Å; M1-R6 HydrophobicContact SD-CG 4.33Å; M1-M9 HydrophobicContact CE-CE 4.39Å; M1-M9 HydrophobicContact CE-SD 3.44Å; M1-M9 WeakPolarHBondContact CE-SD 3.37Å; M1-M9 HydrophobicContact SD-SD 4.15Å
2D83.2Confident80.9Confident90 Ų9071.9 Ų71.948%0.48139%0.385SS..  trans-67.4166.4174.564.291.2000111.2L4 S5 R6D2-L4 VanDerWaalsContact C-N 3.32Å; D2-L4 PolarHBondContact O-N 3.35Å; D2-L4 WeakPolarHBondContact OD1-CB 3.37Å; D2-L4 PolarHBondContact OD1-N 3.31Å; D2-L4 VanDerWaalsContact OD1-N 3.09Å; D2-S5 PolarHBondContact O-N 3.24Å; D2-S5 PolarHBondContact OD1-N 2.95Å; D2-S5 PolarHBondContact OD1-OG 3.1Å; D2-S5 VanDerWaalsContact OD2-CB 3.26Å; D2-S5 WeakPolarHBondContact OD2-CB 3.34Å; D2-S5 PolarHBondContact OD2-OG 3.27Å; D2-R6 PolarHBondContact O-N 3.4Å; D2-R6 VanDerWaalsContact O-N 3.13Å
3A77.7Confident81.4Confident46 Ų4669 Ų6938%0.3837%0.373SS..Hα-helixtrans-64-35.4-174.200000112.8L7 L175A3-L7 WeakPolarHBondContact O-CB 3.37Å; A3-L7 PolarHBondContact O-N 3.16Å; A3-L175 HydrophobicContact CB-CB 4.15Å; A3-L175 HydrophobicContact CB-CD2 3.82Å; A3-L175 HydrophobicContact CB-CG 4.47Å
4L81.2Confident82.1Confident21 Ų2173 Ų7311%0.1139%0.388CS..Hα-helixtrans-68.9-48.3178.5176.164.5000110.7D2 R6 L7 L8 F101 V157 I161 L175D2-L4 VanDerWaalsContact C-N 3.32Å; D2-L4 PolarHBondContact O-N 3.35Å; D2-L4 WeakPolarHBondContact OD1-CB 3.37Å; D2-L4 PolarHBondContact OD1-N 3.31Å; D2-L4 VanDerWaalsContact OD1-N 3.09Å; L4-R6 VanDerWaalsContact C-N 3.26Å; L4-R6 PolarHBondContact O-N 2.85Å; L4-L7 WeakPolarHBondContact O-CB 3.48Å; L4-L7 PolarHBondContact O-N 3.49Å; L4-L8 HydrophobicContact CD1-CD1 3.9Å; L4-L8 HydrophobicContact CD1-CD2 4.37Å; L4-L8 HydrophobicContact CD1-CG 3.94Å; L4-L8 HydrophobicContact CD2-CD1 4.42Å; L4-L8 HydrophobicContact CG-CD1 3.81Å; L4-L8 HydrophobicContact CG-CG 4.26Å; L4-L8 WeakPolarHBondContact O-CG 3.37Å; L4-L8 PolarHBondContact O-N 2.97Å; L4-F101 HydrophobicContact CD1-CE2 4.39Å; L4-F101 HydrophobicContact CD1-CZ 4.27Å; L4-V157 HydrophobicContact CD1-CG1 3.75Å; L4-V157 HydrophobicContact CD2-CG1 3.85Å; L4-V157 HydrophobicContact CG-CG1 4.47Å; L4-I161 HydrophobicContact CD2-CD1 3.74Å; L4-L175 HydrophobicContact CB-CD1 4.44Å
5S85.3Confident82.8Confident40 Ų4068.3 Ų68.328%0.2836%0.364SS..Hα-helixtrans-54.6-43.5175.9-69.20000111.9D2 L7 L8 M9D2-S5 PolarHBondContact O-N 3.24Å; D2-S5 PolarHBondContact OD1-N 2.95Å; D2-S5 PolarHBondContact OD1-OG 3.1Å; D2-S5 VanDerWaalsContact OD2-CB 3.26Å; D2-S5 WeakPolarHBondContact OD2-CB 3.34Å; D2-S5 PolarHBondContact OD2-OG 3.27Å; S5-L7 PolarHBondContact O-N 3.3Å; S5-L8 PolarHBondContact O-N 3.19Å; S5-M9 WeakPolarHBondContact O-CB 3.23Å; S5-M9 VanDerWaalsContact O-CG 3.28Å; S5-M9 WeakPolarHBondContact O-CG 3.46Å; S5-M9 PolarHBondContact O-N 2.81Å
6R81.5Confident83.3Confident147 Ų14767.5 Ų67.556%0.55536%0.362SS*.Hα-helixtrans-61.1-46176.4-173.6-176-60.8-147.90.4111.5M1 D2 L4 M9 L10M1-R6 HydrophobicContact CG-CB 4.29Å; M1-R6 VanDerWaalsContact SD-CA 3.52Å; M1-R6 HydrophobicContact SD-CB 3.8Å; M1-R6 HydrophobicContact SD-CG 4.33Å; D2-R6 PolarHBondContact O-N 3.4Å; D2-R6 VanDerWaalsContact O-N 3.13Å; L4-R6 VanDerWaalsContact C-N 3.26Å; L4-R6 PolarHBondContact O-N 2.85Å; R6-M9 PolarHBondContact O-N 2.81Å; R6-L10 HydrophobicContact CG-CD1 3.76Å; R6-L10 HydrophobicContact CG-CG 4.26Å; R6-L10 WeakPolarHBondContact O-CB 3.43Å; R6-L10 WeakPolarHBondContact O-CG 3.19Å; R6-L10 PolarHBondContact O-N 3.36Å
7L80.2Confident83.6Confident32 Ų3265.2 Ų65.217%0.16835%0.349CS..Hα-helixtrans-63.3-46.1-178.6-159.2160.2000110.8A3 L4 S5 M9 N11 F101 L175A3-L7 WeakPolarHBondContact O-CB 3.37Å; A3-L7 PolarHBondContact O-N 3.16Å; L4-L7 WeakPolarHBondContact O-CB 3.48Å; L4-L7 PolarHBondContact O-N 3.49Å; S5-L7 PolarHBondContact O-N 3.3Å; L7-M9 PolarHBondContact O-N 2.93Å; L7-N11 PolarHBondContact O-ND2 3.39Å; L7-F101 HydrophobicContact CD1-CB 4.08Å; L7-F101 HydrophobicContact CD1-CD2 3.36Å; L7-F101 HydrophobicContact CD1-CE2 3.84Å; L7-F101 HydrophobicContact CD1-CG 3.76Å; L7-F101 HydrophobicContact CD2-CB 3.84Å; L7-F101 HydrophobicContact CD2-CD1 3.18Å; L7-F101 HydrophobicContact CD2-CD2 3.51Å; L7-F101 HydrophobicContact CD2-CE1 3.4Å; L7-F101 VanDerWaalsContact CD2-CE1 3.4Å; L7-F101 HydrophobicContact CD2-CE2 3.73Å; L7-F101 HydrophobicContact CD2-CG 3.21Å; L7-F101 HydrophobicContact CD2-CZ 3.68Å; L7-F101 HydrophobicContact CG-CD1 4.48Å; L7-F101 HydrophobicContact CG-CD2 4.09Å; L7-F101 HydrophobicContact CG-CE2 4.39Å; L7-F101 HydrophobicContact CG-CG 4.12Å; L7-L175 HydrophobicContact CD1-CD2 4.11Å
8L82.5Confident83.5Confident19 Ų1966.2 Ų66.210%0.09936%0.355CS..Hα-helixtrans-64.4-41.6179.6-64.8173.8000112.2L4 S5 F101 F153 T154L4-L8 HydrophobicContact CD1-CD1 3.9Å; L4-L8 HydrophobicContact CD1-CD2 4.37Å; L4-L8 HydrophobicContact CD1-CG 3.94Å; L4-L8 HydrophobicContact CD2-CD1 4.42Å; L4-L8 HydrophobicContact CG-CD1 3.81Å; L4-L8 HydrophobicContact CG-CG 4.26Å; L4-L8 WeakPolarHBondContact O-CG 3.37Å; L4-L8 PolarHBondContact O-N 2.97Å; S5-L8 PolarHBondContact O-N 3.19Å; L8-F101 HydrophobicContact CD2-CE1 4.32Å; L8-F101 HydrophobicContact CD2-CZ 4.27Å; L8-F153 HydrophobicContact CD2-CD1 3.67Å; L8-F153 HydrophobicContact CD2-CE1 3.36Å; L8-F153 HydrophobicContact CD2-CZ 4.36Å; L8-T154 HydrophobicContact CD1-CG2 3.74Å
9M82.4Confident83.2Confident131 Ų13169.4 Ų69.465%0.64537%0.365SS*.Hα-helixtrans-70.7-38.3179.9-70.8-176.2178.400113.4M1 S5 R6 L7 N11 A12M1-M9 HydrophobicContact CE-CE 4.39Å; M1-M9 HydrophobicContact CE-SD 3.44Å; M1-M9 WeakPolarHBondContact CE-SD 3.37Å; M1-M9 HydrophobicContact SD-SD 4.15Å; S5-M9 WeakPolarHBondContact O-CB 3.23Å; S5-M9 VanDerWaalsContact O-CG 3.28Å; S5-M9 WeakPolarHBondContact O-CG 3.46Å; S5-M9 PolarHBondContact O-N 2.81Å; R6-M9 PolarHBondContact O-N 2.81Å; L7-M9 PolarHBondContact O-N 2.93Å; M9-N11 PolarHBondContact O-N 3.13Å; M9-A12 PolarHBondContact O-N 3.16Å
10L80.8Confident83.1Confident116 Ų11668.7 Ų68.761%0.60736%0.362SS*.Hα-helixtrans-64.8-25.1-177.8-77.1173.3000113.4R6R6-L10 HydrophobicContact CG-CD1 3.76Å; R6-L10 HydrophobicContact CG-CG 4.26Å; R6-L10 WeakPolarHBondContact O-CB 3.43Å; R6-L10 WeakPolarHBondContact O-CG 3.19Å; R6-L10 PolarHBondContact O-N 3.36Å
11N82.6Confident83.1Confident11 Ų1166.6 Ų66.66%0.05935%0.353CS..THydrogen-bonded Turntrans-88.40.9-173.9-75.7-68.9000114.7L7 M9 L94 Q95 A98L7-N11 PolarHBondContact O-ND2 3.39Å; M9-N11 PolarHBondContact O-N 3.13Å; N11-L94 HydrophobicContact CB-CB 4.14Å; N11-L94 HydrophobicContact CB-CD2 3.74Å; N11-L94 HydrophobicContact CB-CG 4.12Å; N11-Q95 PolarHBondContact O-N 3.41Å; N11-A98 HydrophobicContact CB-CB 4.46Å; N11-A98 VanDerWaalsContact OD1-CB 3.23Å; N11-A98 WeakPolarHBondContact OD1-CB 3.23Å
12A83.8Confident83.9Confident61 Ų6165 Ų6550%0.50435%0.351SS..  trans39.360.817500000113.5M9 Q14M9-A12 PolarHBondContact O-N 3.16Å; A12-Q14 PolarHBondContact O-N 3.16Å
13P87.4Confident84.1Confident34 Ų3462 Ų6222%0.22134%0.335CS..  trans-62133.1-170.225.7-35.1000112.3L92 R93 L94 A150P13-L92 HydrophobicContact CB-CD1 3.62Å; P13-L92 HydrophobicContact CB-CD2 4.03Å; P13-L92 HydrophobicContact CB-CG 3.85Å; P13-R93 CarbonylContact C-O 3.36Å; P13-R93 WeakPolarHBondContact CA-O 3.37Å; P13-L94 HydrophobicContact CB-CG 4.46Å; P13-A150 HydrophobicContact CB-CB 4.19Å; P13-A150 HydrophobicContact CG-CB 3.57Å
14Q91.5Very high84.5Confident125 Ų12562.1 Ų62.158%0.58434%0.341SS*.EExtended strand (participates in β ladder)trans-110.5118.3175.1-65.5178.6-4.300109.4A12 L92 R93A12-Q14 PolarHBondContact O-N 3.16Å; Q14-L92 CarbonylContact O-C 3.53Å; Q14-L92 WeakPolarHBondContact O-CA 3.46Å; Q14-R93 HydrophobicContact CB-CB 4.48Å; Q14-R93 PolarHBondContact N-O 2.86Å; Q14-R93 PolarHBondContact O-N 3.26Å
15G92.8Very high84.6Confident3 Ų364.3 Ų64.33%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-108.1140.3-174.200000112.2T91 S146G15-T91 CarbonylContact C-O 3.56Å; G15-T91 VanDerWaalsContact CA-O 3.3Å; G15-T91 WeakPolarHBondContact CA-O 3.24Å; G15-S146 PolarHBondContact N-OG 2.63Å
16T91.1Very high84.7Confident55 Ų5567.6 Ų67.634%0.33737%0.372SS..EExtended strand (participates in β ladder)trans-128.4157174.765.50000111D18 G90 T91T16-D18 PolarHBondContact OG1-OD1 3.13Å; T16-G90 WeakPolarHBondContact O-CA 3.4Å; T16-T91 PolarHBondContact N-O 3.14Å; T16-T91 PolarHBondContact O-N 2.94Å; T16-T91 VanDerWaalsContact O-N 3.14Å; T16-T91 PolarHBondContact OG1-OG1 3.23Å
17I88.3Confident85.2Confident28 Ų2861.7 Ų61.714%0.14435%0.35CS..EExtended strand (participates in β ladder)trans-107.7123162.2-59.1174000106.6W41 V88 L130I17-W41 HydrophobicContact CG1-CH2 4.48Å; I17-W41 HydrophobicContact CG1-CZ2 4.26Å; I17-V88 HydrophobicContact CG2-CG1 3.93Å; I17-L130 HydrophobicContact CD1-CB 3.49Å; I17-L130 VanDerWaalsContact CD1-CB 3.49Å; I17-L130 HydrophobicContact CD1-CD1 4.32Å; I17-L130 HydrophobicContact CD1-CD2 4.07Å; I17-L130 HydrophobicContact CD1-CG 4.15Å; I17-L130 WeakPolarHBondContact CD1-O 3.46Å
18D81Confident85.8Confident84 Ų8465.6 Ų65.645%0.44937%0.367SS..EExtended strand (participates in β ladder)trans-100.2-38.6-172.1-57.3-27.3000111.5T16 C89 T91T16-D18 PolarHBondContact OG1-OD1 3.13Å; D18-C89 PolarHBondContact N-O 2.87Å; D18-T91 WeakPolarHBondContact OD2-CG2 3.28Å
19K78.2Confident86.2Confident127 Ų12767 Ų6755%0.55237%0.374SS*.EExtended strand (participates in β ladder)trans-146.8140.1-173.4-62-174.5-178.3178.90112.9V88 C89K19-V88 WeakPolarHBondContact O-CA 3.49Å; K19-C89 HydrophobicContact CB-CB 4.32Å; K19-C89 PolarHBondContact N-O 2.8Å; K19-C89 PolarHBondContact O-N 3.14Å
20N80.6Confident86.7Confident55 Ų5562.9 Ų62.929%0.29436%0.357SS..EExtended strand (participates in β ladder)trans-11495.4164.3-76.1-51.6000108Q131N20-Q131 VanDerWaalsContact OD1-CG 3.32Å; N20-Q131 WeakPolarHBondContact OD1-CG 3.31Å; N20-Q131 PolarHBondContact OD1-NE2 3.1Å
21C84.3Confident87.3Confident25 Ų2558.7 Ų58.717%0.16934%0.335CS..EExtended strand (participates in β ladder)trans-94.2120.1-176.2-64.10000110.1L23 C86 I87C21-L23 HydrophobicContact CB-CD1 4.05Å; C21-L23 HydrophobicContact CB-CD2 4.01Å; C21-L23 HydrophobicContact CB-CG 3.88Å; C21-C86 WeakPolarHBondContact O-CA 3.38Å; C21-I87 HydrophobicContact CB-CB 4.48Å; C21-I87 PolarHBondContact N-O 3.46Å; C21-I87 PolarHBondContact O-N 3.16Å
22V84.9Confident87.8Confident115 Ų11559.2 Ų59.270%0.69734%0.343SS*.EExtended strand (participates in β ladder)trans-98.9113.2163.3-177.10000106.8
23L87.8Confident88.3Confident27 Ų2757.5 Ų57.514%0.14133%0.329CS..EExtended strand (participates in β ladder)trans-117.8134.3-170.3-56.1169000110C21 W27 L29 T85 I87C21-L23 HydrophobicContact CB-CD1 4.05Å; C21-L23 HydrophobicContact CB-CD2 4.01Å; C21-L23 HydrophobicContact CB-CG 3.88Å; L23-W27 HydrophobicContact CB-CD2 4.03Å; L23-W27 HydrophobicContact CB-CG 3.81Å; L23-W27 HydrophobicContact CD1-CD2 3.59Å; L23-W27 HydrophobicContact CD1-CE3 3.7Å; L23-W27 HydrophobicContact CD1-CG 4.15Å; L23-W27 HydrophobicContact CD1-CH2 4.06Å; L23-W27 HydrophobicContact CD1-CZ2 3.97Å; L23-W27 HydrophobicContact CD1-CZ3 3.91Å; L23-W27 HydrophobicContact CG-CD2 4.32Å; L23-W27 HydrophobicContact CG-CG 4.39Å; L23-L29 HydrophobicContact CD1-CD1 3.75Å; L23-T85 PolarHBondContact N-O 3.24Å; L23-T85 PolarHBondContact O-N 2.95Å; L23-I87 HydrophobicContact CD1-CD1 3.75Å; L23-I87 HydrophobicContact CD1-CG1 4.18Å
24G85.7Confident88.7Confident49 Ų4956.8 Ų56.851%0.50533%0.328SS..  trans-78.3-136.6176.800000112.7W27G24-W27 PolarHBondContact O-NE1 3.2Å
25S84.6Confident88.9Confident66 Ų6655.1 Ų55.146%0.46232%0.32SS..SBendtrans-90.6165.7172.561.50000112.4W27S25-W27 PolarHBondContact O-N 3.35Å
26D87.1Confident89Confident110 Ų11056.5 Ų56.559%0.58833%0.326SS*.SBendtrans57.919.5168-58.7-53.1000117.3H79D26-H79 WeakPolarHBondContact CA-ND1 3.41Å; D26-H79 IonicContact OD1-CE1 3.93Å; D26-H79 IonicContact OD1-NE2 3.82Å
27W91.6Very high89.1Confident22 Ų2254 Ų548%0.08331%0.311CS..  trans-80.9152.7-178.858.7-92000112.7L23 G24 S25 L29 A49 L77 S78 H79 T85 I87L23-W27 HydrophobicContact CB-CD2 4.03Å; L23-W27 HydrophobicContact CB-CG 3.81Å; L23-W27 HydrophobicContact CD1-CD2 3.59Å; L23-W27 HydrophobicContact CD1-CE3 3.7Å; L23-W27 HydrophobicContact CD1-CG 4.15Å; L23-W27 HydrophobicContact CD1-CH2 4.06Å; L23-W27 HydrophobicContact CD1-CZ2 3.97Å; L23-W27 HydrophobicContact CD1-CZ3 3.91Å; L23-W27 HydrophobicContact CG-CD2 4.32Å; L23-W27 HydrophobicContact CG-CG 4.39Å; G24-W27 PolarHBondContact O-NE1 3.2Å; S25-W27 PolarHBondContact O-N 3.35Å; W27-L29 HydrophobicContact CE3-CD1 4.28Å; W27-L29 HydrophobicContact CE3-CG 4.03Å; W27-L29 HydrophobicContact CZ3-CD1 4.24Å; W27-L29 HydrophobicContact CZ3-CG 4.3Å; W27-A49 HydrophobicContact CH2-CB 3.67Å; W27-A49 HydrophobicContact CZ2-CB 4.21Å; W27-L77 HydrophobicContact CH2-CB 4.34Å; W27-L77 VanDerWaalsContact CZ3-C 3.42Å; W27-L77 HydrophobicContact CZ3-CB 3.84Å; W27-L77 WeakPolarHBondContact CZ3-O 3.4Å; W27-S78 VanDerWaalsContact CH2-O 3.29Å; W27-S78 WeakPolarHBondContact CH2-O 3.33Å; W27-S78 WeakPolarHBondContact O-CA 3.48Å; W27-H79 HydrophobicContact CD2-CB 4.12Å; W27-H79 VanDerWaalsContact CE2-CA 3.48Å; W27-H79 HydrophobicContact CG-CB 4.2Å; W27-H79 VanDerWaalsContact CZ2-CA 3.46Å; W27-H79 HydrophobicContact CZ2-CB 4.17Å; W27-H79 PolarHBondContact O-N 3.44Å; W27-H79 VanDerWaalsContact O-N 3.12Å; W27-H79 PolarHBondContact O-ND1 3.34Å; W27-T85 HydrophobicContact CZ2-CG2 3.77Å; W27-I87 HydrophobicContact CH2-CD1 3.52Å; W27-I87 HydrophobicContact CZ2-CD1 4.08Å; W27-I87 HydrophobicContact CZ3-CD1 4.07Å
28Q92.4Very high89.5Confident115 Ų11553 Ų5354%0.53731%0.306SS..EExtended strand (participates in β ladder)trans-140.3138167.6-60.1-173.517.900109.4L77Q28-L77 CarbonylContact C-O 3.53Å; Q28-L77 WeakPolarHBondContact CA-O 3.44Å
29L92.1Very high90.3Very high48 Ų4849 Ų4925%0.25128%0.284SS..EExtended strand (participates in β ladder)trans-125.491.6179.2-61.7176.7000109L23 W27 H31 L77L23-L29 HydrophobicContact CD1-CD1 3.75Å; W27-L29 HydrophobicContact CE3-CD1 4.28Å; W27-L29 HydrophobicContact CE3-CG 4.03Å; W27-L29 HydrophobicContact CZ3-CD1 4.24Å; W27-L29 HydrophobicContact CZ3-CG 4.3Å; L29-H31 PolarHBondContact O-ND1 2.95Å; L29-L77 HydrophobicContact CB-CB 4.31Å; L29-L77 PolarHBondContact N-O 2.73Å; L29-L77 PolarHBondContact O-N 2.95Å
30P93Very high91.2Very high44 Ų4445.3 Ų45.329%0.28627%0.267SS..EExtended strand (participates in β ladder)trans-68.8141.2170.629.1-32.9000110.4F282 P284P30-F282 WeakPolarHBondContact CB-O 3.5Å; P30-P284 HydrophobicContact CG-CB 4.49Å
31H93.6Very high92Very high28 Ų2842.8 Ų42.813%0.1325%0.254CS..EExtended strand (participates in β ladder)trans-129116.9176.3-68.479.6000108.9L29 H42 A74 H75L29-H31 PolarHBondContact O-ND1 2.95Å; H31-H42 AromaticContact NE2-CE1 3.74Å; H31-A74 CarbonylContact O-C 3.54Å; H31-A74 WeakPolarHBondContact O-CA 3.47Å; H31-A74 VanDerWaalsContact O-CB 3.3Å; H31-A74 WeakPolarHBondContact O-CB 3.32Å; H31-H75 WeakPolarHBondContact CB-CE1 3.14Å; H31-H75 WeakPolarHBondContact CB-O 3.5Å; H31-H75 AromaticContact CG-CE1 3.65Å; H31-H75 AromaticContact CG-NE2 3.47Å; H31-H75 PolarHBondContact N-O 3.29Å; H31-H75 AromaticContact ND1-NE2 3.57Å; H31-H75 PolarHBondContact O-N 3.37Å
32G92.8Very high92.6Very high22 Ų2241.7 Ų41.723%0.22725%0.246CC..  trans-65.5158.1170.700000112.2R40G32-R40 PolarHBondContact O-NH1 2.94Å
33A94.7Very high93.1Very high26 Ų2636.2 Ų36.222%0.21521%0.213CC..  trans-64.4134.6174.700000110.7N72 A74 R240A33-N72 CarbonylContact C-O 3.59Å; A33-N72 VanDerWaalsContact CA-O 3.24Å; A33-N72 WeakPolarHBondContact CA-O 3Å; A33-A74 HydrophobicContact CB-CB 4.23Å; A33-R240 HydrophobicContact CB-CG 4.13Å
34G94.1Very high93.4Very high19 Ų1935 Ų3520%0.19621%0.207CC..  trans-107-173.1-179.600000113.6N72 R240G34-N72 VanDerWaalsContact CA-ND2 3.33Å; G34-N72 WeakPolarHBondContact CA-ND2 3.47Å; G34-N72 PolarHBondContact N-O 3.38Å; G34-R240 VanDerWaalsContact O-CZ 3.27Å; G34-R240 PolarHBondContact O-NE 2.93Å; G34-R240 PolarHBondContact O-NH2 2.91Å
35E95.3Very high93.7Very high90 Ų9035.1 Ų35.142%0.42120%0.197SC..  trans-56.6139.2178.1-64.4173-118.100112.3S37 V38 N72 R93E35-S37 PolarHBondContact O-N 3Å; E35-V38 HydrophobicContact CB-CB 4.32Å; E35-V38 HydrophobicContact CB-CG2 3.89Å; E35-V38 PolarHBondContact O-N 2.87Å; E35-N72 PolarHBondContact O-ND2 3.18Å; E35-R93 VanDerWaalsContact CD-NH1 3.3Å; E35-R93 IonicContact OE1-CZ 3.58Å; E35-R93 IonicContact OE1-NH1 3.16Å; E35-R93 PolarHBondContact OE1-NH1 3.24Å; E35-R93 VanDerWaalsContact OE1-NH1 3.16Å; E35-R93 IonicContact OE1-NH2 3.03Å; E35-R93 PolarHBondContact OE1-NH2 3.36Å; E35-R93 IonicContact OE2-CZ 3.85Å; E35-R93 IonicContact OE2-NH1 2.76Å; E35-R93 PolarHBondContact OE2-NH1 3.16Å
36L95Very high94Very high32 Ų3236.9 Ų36.917%0.16820%0.198CC..THydrogen-bonded Turntrans-72.2-4.8-178.1-70.7172000114.5R99 L102 Q236L36-R99 HydrophobicContact CB-CB 4.02Å; L36-R99 WeakPolarHBondContact O-CA 3.38Å; L36-L102 WeakPolarHBondContact O-CD1 3.49Å; L36-Q236 HydrophobicContact CD2-CB 4.38Å; L36-Q236 HydrophobicContact CD2-CG 4.02Å
37S94.4Very high94.3Very high3 Ų332.4 Ų32.42%0.02118%0.178CC..THydrogen-bonded Turntrans-103.510.1171.656.50000112.5E35 L94 H96E35-S37 PolarHBondContact O-N 3Å; S37-L94 PolarHBondContact O-N 3.09Å; S37-H96 PolarHBondContact OG-ND1 3.33Å
38V96.3Very high94.4Very high5 Ų531.4 Ų31.43%0.0317%0.174CC..EExtended strand (participates in β ladder)trans-121.4120.8179.7177.90000108.5E35 N72 T91 R93E35-V38 HydrophobicContact CB-CB 4.32Å; E35-V38 HydrophobicContact CB-CG2 3.89Å; E35-V38 PolarHBondContact O-N 2.87Å; V38-N72 WeakPolarHBondContact O-CB 3.06Å; V38-N72 PolarHBondContact O-ND2 3.08Å; V38-N72 VanDerWaalsContact O-ND2 3.08Å; V38-T91 HydrophobicContact CG1-CG2 3.77Å; V38-R93 HydrophobicContact CG2-CB 4.25Å; V38-R93 HydrophobicContact CG2-CG 4.09Å; V38-R93 VanDerWaalsContact CG2-NH1 3.3Å
39I97.2Very high94.6Very high0 Ų025.9 Ų25.90%015%0.149CC..EExtended strand (participates in β ladder)trans-85.9131.7169.8-51.7-178000107.3L68 T91 L92 L94 L102 F153I39-L68 HydrophobicContact CG2-CB 3.97Å; I39-L68 HydrophobicContact CG2-CD2 4.22Å; I39-T91 CarbonylContact O-C 3.57Å; I39-T91 VanDerWaalsContact O-CA 3.22Å; I39-T91 WeakPolarHBondContact O-CA 3.48Å; I39-L92 HydrophobicContact CB-CB 4.18Å; I39-L92 HydrophobicContact CD1-CD2 4.33Å; I39-L92 PolarHBondContact N-O 3.47Å; I39-L92 PolarHBondContact O-N 3.18Å; I39-L94 HydrophobicContact CD1-CD1 3.8Å; I39-L94 HydrophobicContact CG1-CD1 3.89Å; I39-L102 HydrophobicContact CD1-CD2 3.64Å; I39-L102 HydrophobicContact CG1-CD1 4.11Å; I39-L102 HydrophobicContact CG1-CD2 3.9Å; I39-F153 HydrophobicContact CD1-CD1 3.91Å; I39-F153 HydrophobicContact CD1-CD2 3.46Å; I39-F153 VanDerWaalsContact CD1-CD2 3.46Å; I39-F153 HydrophobicContact CD1-CE1 3.82Å; I39-F153 HydrophobicContact CD1-CE2 3.38Å; I39-F153 HydrophobicContact CD1-CG 3.73Å; I39-F153 HydrophobicContact CD1-CZ 3.56Å
40R97Very high94.8Very high51 Ų5128.1 Ų28.119%0.19216%0.156CC..EExtended strand (participates in β ladder)trans-97.8141.7169-178.9172.7-79152.7-2.9109.2G32 L68 L69G32-R40 PolarHBondContact O-NH1 2.94Å; R40-L68 CarbonylContact O-C 3.56Å; R40-L68 WeakPolarHBondContact O-CA 3.38Å; R40-L69 PolarHBondContact N-O 3Å; R40-L69 PolarHBondContact O-N 3.3Å
41W97.3Very high95Very high2 Ų226 Ų261%0.00814%0.143CC..EExtended strand (participates in β ladder)trans-136.7152.817764.4-93.3000111.8I17 A43 V66 V67 L68 V88 G90 L130 F152I17-W41 HydrophobicContact CG1-CH2 4.48Å; I17-W41 HydrophobicContact CG1-CZ2 4.26Å; W41-A43 HydrophobicContact CE3-CB 4.36Å; W41-A43 HydrophobicContact CZ3-CB 4.03Å; W41-V66 HydrophobicContact CB-CG1 4.32Å; W41-V66 HydrophobicContact CE3-CG1 4.13Å; W41-V67 CarbonylContact C-O 3.58Å; W41-V67 WeakPolarHBondContact CA-O 3.36Å; W41-V67 WeakPolarHBondContact CB-O 3.17Å; W41-L68 HydrophobicContact CB-CB 4.4Å; W41-L68 HydrophobicContact CB-CD2 4.26Å; W41-L68 HydrophobicContact CB-CG 3.88Å; W41-V88 HydrophobicContact CH2-CG1 3.8Å; W41-V88 HydrophobicContact CZ3-CB 4.35Å; W41-V88 HydrophobicContact CZ3-CG1 4.07Å; W41-G90 PolarHBondContact N-O 3.13Å; W41-G90 VanDerWaalsContact NE1-C 3.29Å; W41-G90 PolarHBondContact O-N 3.01Å; W41-G90 VanDerWaalsContact O-N 3.09Å; W41-L130 HydrophobicContact CH2-CD1 4.48Å; W41-F152 HydrophobicContact CH2-CE2 4.38Å; W41-F152 HydrophobicContact CZ3-CE2 4.41Å
42H96.9Very high95.1Very high1 Ų127.9 Ų27.91%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-135.6139.5178.2-55.7-74.8000110.2H31 V67 H75 L77 V88 C89H31-H42 AromaticContact NE2-CE1 3.74Å; H42-V67 HydrophobicContact CB-CG1 3.87Å; H42-V67 PolarHBondContact N-O 3.5Å; H42-V67 PolarHBondContact O-N 3.04Å; H42-H75 AromaticContact CD2-NE2 3.76Å; H42-H75 AromaticContact CE1-NE2 3.76Å; H42-H75 AromaticContact NE2-CD2 3.84Å; H42-H75 AromaticContact NE2-CE1 3.64Å; H42-H75 AromaticContact NE2-NE2 2.85Å; H42-H75 PolarHBondContact NE2-NE2 2.89Å; H42-L77 HydrophobicContact CB-CD1 4.38Å; H42-V88 WeakPolarHBondContact CA-O 3.23Å; H42-C89 PolarHBondContact ND1-SG 2.83Å
43A96.3Very high95.1Very high0 Ų027 Ų270%014%0.141CC..EExtended strand (participates in β ladder)trans-137.2137.2174.600000109.9W41 V66 V88 I127W41-A43 HydrophobicContact CE3-CB 4.36Å; W41-A43 HydrophobicContact CZ3-CB 4.03Å; A43-V66 HydrophobicContact CB-CG1 4.49Å; A43-V66 HydrophobicContact CB-CG2 3.94Å; A43-V88 PolarHBondContact N-O 3.39Å; A43-V88 PolarHBondContact O-N 3.48Å; A43-I127 HydrophobicContact CB-CD1 3.71Å; A43-I127 HydrophobicContact CB-CG1 4.19Å; A43-I127 HydrophobicContact CB-CG2 4.34Å
44L93.9Very high94.9Very high3 Ų325.9 Ų25.92%0.01613%0.132CC..EExtended strand (participates in β ladder)trans-94.3139.5174.3-78.674.7000109.5A48 A49 L61 P63 T85 C86 I87L44-A48 VanDerWaalsContact CD2-CA 3.43Å; L44-A49 HydrophobicContact CD1-CB 4.21Å; L44-A49 HydrophobicContact CD2-CB 3.87Å; L44-L61 HydrophobicContact CD1-CB 3.56Å; L44-L61 HydrophobicContact CD1-CD1 4.02Å; L44-L61 HydrophobicContact CD1-CG 4.47Å; L44-P63 HydrophobicContact CB-CG 4.13Å; L44-P63 VanDerWaalsContact O-CA 3.26Å; L44-P63 WeakPolarHBondContact O-CA 3.33Å; L44-T85 HydrophobicContact CD2-CG2 3.86Å; L44-T85 HydrophobicContact CG-CG2 4.42Å; L44-C86 WeakPolarHBondContact CA-O 3.19Å; L44-I87 HydrophobicContact CG-CG1 4.25Å
45T91.5Very high94.5Very high50 Ų5026.7 Ų26.731%0.30713%0.133SC..EExtended strand (participates in β ladder)trans-105.6-17.5168.654.90000112.3C86 V88 I127T45-C86 PolarHBondContact N-O 3.08Å; T45-C86 VanDerWaalsContact OG1-CB 3.26Å; T45-C86 WeakPolarHBondContact OG1-CB 3.47Å; T45-V88 HydrophobicContact CG2-CG2 4.06Å; T45-I127 HydrophobicContact CG2-CB 4.5Å; T45-I127 HydrophobicContact CG2-CG2 3.51Å
46Q91.9Very high94.2Very high103 Ų10324.6 Ų24.648%0.48114%0.136SC..EExtended strand (participates in β ladder)trans-153.7151.3176.6-173.3-179.87.100110.7C86Q46-C86 HydrophobicContact CB-CB 3.87Å; Q46-C86 PolarHBondContact O-N 3.28Å; Q46-C86 PolarHBondContact OE1-SG 2.9Å
47G93.3Very high94.1Very high16 Ų1627.6 Ų27.617%0.16515%0.149CC..SBendtrans77.6-149.5173.800000112.9P63G47-P63 WeakPolarHBondContact O-CD 3.44Å
48A94.2Very high94.1Very high1 Ų132.5 Ų32.51%0.00817%0.174CC..  trans-150.6154.4176.500000110.8L44 L61 V80 T85L44-A48 VanDerWaalsContact CD2-CA 3.43Å; A48-L61 WeakPolarHBondContact CA-O 3.5Å; A48-V80 HydrophobicContact CB-CB 3.75Å; A48-V80 HydrophobicContact CB-CG1 4.03Å; A48-V80 HydrophobicContact CB-CG2 3.98Å; A48-V80 PolarHBondContact O-N 3.09Å; A48-T85 PolarHBondContact O-OG1 3.16Å
49A95.5Very high94.1Very high0 Ų035.1 Ų35.10%019%0.185CC..EExtended strand (participates in β ladder)trans-138.3143.4179.400000110.7W27 L44 L61 S78 V80 I87W27-A49 HydrophobicContact CH2-CB 3.67Å; W27-A49 HydrophobicContact CZ2-CB 4.21Å; L44-A49 HydrophobicContact CD1-CB 4.21Å; L44-A49 HydrophobicContact CD2-CB 3.87Å; A49-L61 HydrophobicContact CB-CB 4.42Å; A49-L61 PolarHBondContact N-O 3.28Å; A49-L61 VanDerWaalsContact N-O 3.14Å; A49-L61 PolarHBondContact O-N 3.49Å; A49-S78 CarbonylContact C-O 3.56Å; A49-S78 WeakPolarHBondContact CA-O 3.44Å; A49-V80 VanDerWaalsContact C-CG2 3.41Å; A49-I87 HydrophobicContact CB-CD1 4.24Å
50K96.1Very high94.1Very high94 Ų9438.7 Ų38.741%0.40921%0.207SC..EExtended strand (participates in β ladder)trans-86.2131.9166.3-57.3-176.2-178.5170.10108.3I58 F59 L77 S78 V80K50-I58 HydrophobicContact CB-CG2 4.37Å; K50-F59 CarbonylContact C-O 3.57Å; K50-F59 WeakPolarHBondContact CA-O 3.39Å; K50-L77 CarbonylContact O-C 3.47Å; K50-L77 VanDerWaalsContact O-CA 3.25Å; K50-L77 WeakPolarHBondContact O-CA 3.46Å; K50-S78 PolarHBondContact N-O 3.16Å; K50-S78 PolarHBondContact O-N 2.87Å; K50-V80 HydrophobicContact CB-CG2 4.5Å; K50-V80 HydrophobicContact CG-CG2 3.53Å
51L97Very high94Very high0 Ų036.8 Ų36.80%020%0.201CC..EExtended strand (participates in β ladder)trans-103.2114.9166.4170.965.6000108M53 I58 F59 L61 V67 H75 R76 L77 T108L51-M53 HydrophobicContact CD1-SD 4.02Å; L51-M53 HydrophobicContact CD2-SD 4.12Å; L51-M53 HydrophobicContact CG-SD 4.02Å; L51-I58 CarbonylContact O-C 3.55Å; L51-I58 VanDerWaalsContact O-CA 3.3Å; L51-I58 WeakPolarHBondContact O-CA 3.44Å; L51-F59 HydrophobicContact CB-CB 4.34Å; L51-F59 HydrophobicContact CD2-CD2 4.18Å; L51-F59 HydrophobicContact CG-CD2 4.42Å; L51-F59 PolarHBondContact N-O 2.92Å; L51-F59 PolarHBondContact O-N 3.33Å; L51-L61 HydrophobicContact CB-CD1 4.08Å; L51-L61 HydrophobicContact CB-CD2 4.23Å; L51-L61 HydrophobicContact CB-CG 4.07Å; L51-L61 HydrophobicContact CD2-CD2 4.43Å; L51-V67 HydrophobicContact CD2-CB 4.5Å; L51-V67 HydrophobicContact CD2-CG1 4.21Å; L51-V67 HydrophobicContact CD2-CG2 3.73Å; L51-H75 HydrophobicContact CD1-CB 3.77Å; L51-H75 WeakPolarHBondContact CD1-CD2 3.33Å; L51-R76 WeakPolarHBondContact CA-O 3.47Å; L51-L77 HydrophobicContact CB-CD2 4.04Å; L51-L77 HydrophobicContact CD1-CD2 3.9Å; L51-T108 HydrophobicContact CD2-CG2 4.26Å
52E96.1Very high93.8Very high67 Ų6743.3 Ų43.331%0.31323%0.225SC..EExtended strand (participates in β ladder)trans-106.2125174.9-174.9-174.4-173.100109.4I58 H75 R76 F282E52-I58 HydrophobicContact CB-CG1 4.45Å; E52-I58 HydrophobicContact CG-CG1 4.15Å; E52-H75 CarbonylContact O-C 3.53Å; E52-H75 WeakPolarHBondContact O-CA 3.41Å; E52-H75 VanDerWaalsContact O-CB 3.28Å; E52-H75 WeakPolarHBondContact O-CB 3.44Å; E52-R76 HydrophobicContact CB-CB 4.32Å; E52-R76 PolarHBondContact N-O 3.18Å; E52-R76 PolarHBondContact O-N 2.91Å; E52-R76 IonicContact OE2-NE 3.7Å; E52-F282 HydrophobicContact CB-CE1 4.37Å; E52-F282 HydrophobicContact CB-CZ 4.43Å; E52-F282 HydrophobicContact CG-CE1 4.19Å; E52-F282 HydrophobicContact CG-CZ 3.79Å; E52-F282 WeakPolarHBondContact O-CE1 3.38Å
53M94Very high93.6Very high3 Ų345.6 Ų45.62%0.01524%0.24CC..EExtended strand (participates in β ladder)trans-95.2154177.6-59.1-58.8-64.700110.9L51 T55 G56 E57 F59 L69 H75 E107 T108L51-M53 HydrophobicContact CD1-SD 4.02Å; L51-M53 HydrophobicContact CD2-SD 4.12Å; L51-M53 HydrophobicContact CG-SD 4.02Å; M53-T55 PolarHBondContact O-N 2.92Å; M53-T55 VanDerWaalsContact O-N 3.17Å; M53-G56 PolarHBondContact O-N 2.81Å; M53-E57 HydrophobicContact CB-CB 4.46Å; M53-E57 HydrophobicContact CG-CB 4.49Å; M53-E57 PolarHBondContact N-O 3Å; M53-F59 HydrophobicContact CG-CD2 4.43Å; M53-F59 HydrophobicContact CG-CE2 4.02Å; M53-L69 HydrophobicContact CE-CD2 4.01Å; M53-L69 HydrophobicContact SD-CD2 4.13Å; M53-H75 HydrophobicContact SD-CB 3.82Å; M53-E107 HydrophobicContact CE-CB 4.1Å; M53-T108 HydrophobicContact CE-CG2 3.76Å; M53-T108 HydrophobicContact CG-CG2 4.01Å; M53-T108 HydrophobicContact SD-CG2 3.6Å; M53-T108 VanDerWaalsContact SD-CG2 3.6Å
54L90.6Very high93.3Very high3 Ų345.8 Ų45.82%0.01624%0.242CC..THydrogen-bonded Turntrans-57.6-29.6176.4-79.7176.3000114.1G56 A74 R278 V279 F282L54-G56 PolarHBondContact O-N 2.78Å; L54-A74 HydrophobicContact CD1-CB 3.55Å; L54-A74 HydrophobicContact CD2-CB 4.4Å; L54-A74 HydrophobicContact CG-CB 3.91Å; L54-R278 HydrophobicContact CD2-CB 4.14Å; L54-V279 HydrophobicContact CD1-CG2 3.81Å; L54-V279 HydrophobicContact CD2-CG2 4.39Å; L54-F282 HydrophobicContact CD2-CB 3.94Å; L54-F282 HydrophobicContact CD2-CD1 4.33Å; L54-F282 HydrophobicContact CD2-CD2 3.63Å; L54-F282 HydrophobicContact CD2-CE2 4.16Å; L54-F282 HydrophobicContact CD2-CG 3.71Å
55T86Confident93.3Very high36 Ų3648 Ų4822%0.22125%0.254CS..THydrogen-bonded Turntrans-72.9-11.8177.942.50000112.7M53 E57 F268M53-T55 PolarHBondContact O-N 2.92Å; M53-T55 VanDerWaalsContact O-N 3.17Å; T55-E57 WeakPolarHBondContact CB-OE2 3.44Å; T55-E57 PolarHBondContact OG1-OE2 2.82Å; T55-F268 HydrophobicContact CG2-CD1 4.23Å; T55-F268 HydrophobicContact CG2-CE1 4.36Å
56G87.4Confident93.5Very high47 Ų4745.6 Ų45.649%0.48524%0.239SC..SBendtrans102.4-7.2174.200000114.5M53 L54M53-G56 PolarHBondContact O-N 2.81Å; L54-G56 PolarHBondContact O-N 2.78Å
57E92.5Very high93.8Very high94 Ų9440.8 Ų40.844%0.43922%0.217SC..  trans-64.8136.1173.3-65.392.3140.300110.8M53 T55 F59M53-E57 HydrophobicContact CB-CB 4.46Å; M53-E57 HydrophobicContact CG-CB 4.49Å; M53-E57 PolarHBondContact N-O 3Å; T55-E57 WeakPolarHBondContact CB-OE2 3.44Å; T55-E57 PolarHBondContact OG1-OE2 2.82Å; E57-F59 HydrophobicContact CB-CD2 4.45Å; E57-F59 HydrophobicContact CB-CE2 3.61Å; E57-F59 HydrophobicContact CB-CZ 3.83Å; E57-F59 HydrophobicContact CG-CZ 4.33Å
58I95.7Very high94Very high107 Ų10740.1 Ų40.155%0.54921%0.209SC..EExtended strand (participates in β ladder)trans-122.3126.4176.1-57.2175.8000108.5K50 L51 E52K50-I58 HydrophobicContact CB-CG2 4.37Å; L51-I58 CarbonylContact O-C 3.55Å; L51-I58 VanDerWaalsContact O-CA 3.3Å; L51-I58 WeakPolarHBondContact O-CA 3.44Å; E52-I58 HydrophobicContact CB-CG1 4.45Å; E52-I58 HydrophobicContact CG-CG1 4.15Å
59F96.5Very high94.2Very high59 Ų5940 Ų4026%0.25921%0.209SC..EExtended strand (participates in β ladder)trans-118.5145.5176.9-54.1-86.6000110.6K50 L51 M53 E57 T108 F110K50-F59 CarbonylContact C-O 3.57Å; K50-F59 WeakPolarHBondContact CA-O 3.39Å; L51-F59 HydrophobicContact CB-CB 4.34Å; L51-F59 HydrophobicContact CD2-CD2 4.18Å; L51-F59 HydrophobicContact CG-CD2 4.42Å; L51-F59 PolarHBondContact N-O 2.92Å; L51-F59 PolarHBondContact O-N 3.33Å; M53-F59 HydrophobicContact CG-CD2 4.43Å; M53-F59 HydrophobicContact CG-CE2 4.02Å; E57-F59 HydrophobicContact CB-CD2 4.45Å; E57-F59 HydrophobicContact CB-CE2 3.61Å; E57-F59 HydrophobicContact CB-CZ 3.83Å; E57-F59 HydrophobicContact CG-CZ 4.33Å; F59-T108 HydrophobicContact CE2-CG2 4.06Å; F59-F110 HydrophobicContact CB-CE1 4.34Å; F59-F110 HydrophobicContact CB-CZ 3.81Å; F59-F110 AromaticContact CD1-CE2 3.78Å; F59-F110 HydrophobicContact CD1-CE2 3.78Å; F59-F110 AromaticContact CD1-CZ 3.56Å; F59-F110 HydrophobicContact CD1-CZ 3.56Å; F59-F110 HydrophobicContact CD2-CE2 4.46Å; F59-F110 AromaticContact CD2-CZ 3.96Å; F59-F110 HydrophobicContact CD2-CZ 3.96Å; F59-F110 AromaticContact CE1-CE2 3.81Å; F59-F110 HydrophobicContact CE1-CE2 3.81Å; F59-F110 HydrophobicContact CE1-CZ 4.06Å; F59-F110 HydrophobicContact CE2-CE2 4.48Å; F59-F110 HydrophobicContact CE2-CZ 4.41Å; F59-F110 HydrophobicContact CG-CE1 4.47Å; F59-F110 HydrophobicContact CG-CE2 4.12Å; F59-F110 AromaticContact CG-CZ 3.5Å; F59-F110 HydrophobicContact CG-CZ 3.5Å; F59-F110 HydrophobicContact CZ-CE2 4.17Å; F59-F110 HydrophobicContact CZ-CZ 4.46Å
60T96.3Very high94.2Very high76 Ų7640 Ų4047%0.46621%0.209SC..EExtended strand (participates in β ladder)trans-99113.6171.3-590000109.4V80T60-V80 HydrophobicContact CG2-CG2 4.3Å
61L95.3Very high94.2Very high10 Ų1035.7 Ų35.75%0.05219%0.19CC..EExtended strand (participates in β ladder)trans-86.2140.7176.3-48.9-176.8000110.4L44 A48 A49 L51 V67 L77 F110L44-L61 HydrophobicContact CD1-CB 3.56Å; L44-L61 HydrophobicContact CD1-CD1 4.02Å; L44-L61 HydrophobicContact CD1-CG 4.47Å; A48-L61 WeakPolarHBondContact CA-O 3.5Å; A49-L61 HydrophobicContact CB-CB 4.42Å; A49-L61 PolarHBondContact N-O 3.28Å; A49-L61 VanDerWaalsContact N-O 3.14Å; A49-L61 PolarHBondContact O-N 3.49Å; L51-L61 HydrophobicContact CB-CD1 4.08Å; L51-L61 HydrophobicContact CB-CD2 4.23Å; L51-L61 HydrophobicContact CB-CG 4.07Å; L51-L61 HydrophobicContact CD2-CD2 4.43Å; L61-V67 HydrophobicContact CD1-CG1 3.69Å; L61-V67 HydrophobicContact CD2-CB 4.04Å; L61-V67 HydrophobicContact CD2-CG1 3.89Å; L61-V67 HydrophobicContact CG-CG1 4.47Å; L61-L77 HydrophobicContact CD1-CD2 3.7Å; L61-F110 HydrophobicContact CD2-CE1 3.73Å
62R93.4Very high94.1Very high140 Ų14035.8 Ų35.853%0.52819%0.191SC..  trans-137.8157.9179.5-66.5-173.5178.6-80.8-0.1110.5N65R62-N65 PolarHBondContact O-N 2.96Å
63P92.2Very high94.1Very high49 Ų4932.9 Ų32.932%0.31818%0.178SC..THydrogen-bonded Turntrans-57.2147.2174-25.433.7000112.9L44 G47 N65L44-P63 HydrophobicContact CB-CG 4.13Å; L44-P63 VanDerWaalsContact O-CA 3.26Å; L44-P63 WeakPolarHBondContact O-CA 3.33Å; G47-P63 WeakPolarHBondContact O-CD 3.44Å; P63-N65 VanDerWaalsContact C-N 3.33Å
64G90.2Very high94.1Very high4 Ų432.8 Ų32.84%0.04118%0.177CC..THydrogen-bonded Turntrans89.6-6.2-174.600000114.5
65N93.5Very high94.3Very high48 Ų4832.6 Ų32.626%0.25718%0.177SC..  trans-117.4152.5176.6-57.2-27.5000111R62 P63 L111 A112R62-N65 PolarHBondContact O-N 2.96Å; P63-N65 VanDerWaalsContact C-N 3.33Å; N65-L111 WeakPolarHBondContact CA-O 3.45Å; N65-A112 HydrophobicContact CB-CB 4.35Å; N65-A112 WeakPolarHBondContact OD1-CA 3.46Å
66V96.9Very high94.8Very high1 Ų132.6 Ų32.61%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-123.4131.3170.5-175.70000108.3W41 A43 L68 L111 L123 I127 F152W41-V66 HydrophobicContact CB-CG1 4.32Å; W41-V66 HydrophobicContact CE3-CG1 4.13Å; A43-V66 HydrophobicContact CB-CG1 4.49Å; A43-V66 HydrophobicContact CB-CG2 3.94Å; V66-L68 HydrophobicContact CG1-CD1 4.03Å; V66-L68 HydrophobicContact CG1-CG 4.31Å; V66-L111 HydrophobicContact CB-CB 4.3Å; V66-L111 PolarHBondContact N-O 3.44Å; V66-L111 PolarHBondContact O-N 3.46Å; V66-L123 HydrophobicContact CG2-CD2 4.02Å; V66-I127 HydrophobicContact CG2-CD1 4.04Å; V66-F152 HydrophobicContact CG1-CD2 4.43Å
67V97.9Very high95.2Very high2 Ų230.3 Ų30.31%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-102.3132.9167.763.70000109.1W41 H42 L51 L61 L69 L109 F110W41-V67 CarbonylContact C-O 3.58Å; W41-V67 WeakPolarHBondContact CA-O 3.36Å; W41-V67 WeakPolarHBondContact CB-O 3.17Å; H42-V67 HydrophobicContact CB-CG1 3.87Å; H42-V67 PolarHBondContact N-O 3.5Å; H42-V67 PolarHBondContact O-N 3.04Å; L51-V67 HydrophobicContact CD2-CB 4.5Å; L51-V67 HydrophobicContact CD2-CG1 4.21Å; L51-V67 HydrophobicContact CD2-CG2 3.73Å; L61-V67 HydrophobicContact CD1-CG1 3.69Å; L61-V67 HydrophobicContact CD2-CB 4.04Å; L61-V67 HydrophobicContact CD2-CG1 3.89Å; L61-V67 HydrophobicContact CG-CG1 4.47Å; V67-L69 HydrophobicContact CG2-CD1 4.34Å; V67-L109 WeakPolarHBondContact CA-O 3.34Å; V67-F110 HydrophobicContact CB-CD1 4.1Å; V67-F110 HydrophobicContact CB-CE1 3.87Å; V67-F110 HydrophobicContact CG2-CD1 4.11Å; V67-F110 HydrophobicContact CG2-CE1 3.67Å; V67-F110 HydrophobicContact CG2-CE2 4.43Å; V67-F110 HydrophobicContact CG2-CZ 3.84Å
68L98Very high95.3Very high1 Ų126.8 Ų26.81%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-116.6142.6173.6-57.795000108.8I39 R40 W41 V66 P70 T108 L109 L111 F152 F153 A156I39-L68 HydrophobicContact CG2-CB 3.97Å; I39-L68 HydrophobicContact CG2-CD2 4.22Å; R40-L68 CarbonylContact O-C 3.56Å; R40-L68 WeakPolarHBondContact O-CA 3.38Å; W41-L68 HydrophobicContact CB-CB 4.4Å; W41-L68 HydrophobicContact CB-CD2 4.26Å; W41-L68 HydrophobicContact CB-CG 3.88Å; V66-L68 HydrophobicContact CG1-CD1 4.03Å; V66-L68 HydrophobicContact CG1-CG 4.31Å; L68-P70 WeakPolarHBondContact O-CD 3.35Å; L68-T108 CarbonylContact O-C 3.56Å; L68-T108 WeakPolarHBondContact O-CA 3.2Å; L68-L109 HydrophobicContact CB-CB 4.38Å; L68-L109 PolarHBondContact N-O 2.91Å; L68-L109 PolarHBondContact O-N 3.38Å; L68-L111 HydrophobicContact CD1-CB 4.44Å; L68-F152 HydrophobicContact CD2-CB 4.37Å; L68-F153 HydrophobicContact CD2-CB 3.85Å; L68-F153 HydrophobicContact CD2-CD2 4.18Å; L68-A156 HydrophobicContact CD1-CB 3.57Å
69L97.4Very high95.2Very high0 Ų023.9 Ų23.90%012%0.119CC..EExtended strand (participates in β ladder)trans-117.186.8179.7-65.485.4000108.2R40 M53 V67 Q71 N72 H75 E107R40-L69 PolarHBondContact N-O 3Å; R40-L69 PolarHBondContact O-N 3.3Å; M53-L69 HydrophobicContact CE-CD2 4.01Å; M53-L69 HydrophobicContact SD-CD2 4.13Å; V67-L69 HydrophobicContact CG2-CD1 4.34Å; L69-Q71 PolarHBondContact O-N 3.28Å; L69-N72 PolarHBondContact O-N 3.48Å; L69-H75 HydrophobicContact CD2-CB 4.16Å; L69-H75 VanDerWaalsContact CD2-ND1 3.3Å; L69-H75 WeakPolarHBondContact CD2-ND1 3.43Å; L69-E107 VanDerWaalsContact CA-O 3.32Å; L69-E107 WeakPolarHBondContact CA-O 3.46Å
70P96.4Very high94.9Very high0 Ų021.7 Ų21.70%011%0.11CC..THydrogen-bonded Turntrans-57.5-36.4-172.9-27.737000113.7L68 N72 L102 L105 P106 E107 L109L68-P70 WeakPolarHBondContact O-CD 3.35Å; P70-N72 VanDerWaalsContact C-N 3.31Å; P70-L102 HydrophobicContact CB-CB 4.41Å; P70-L102 HydrophobicContact CB-CD2 4.16Å; P70-L105 HydrophobicContact CB-CB 4.08Å; P70-L105 HydrophobicContact CB-CD1 4.07Å; P70-L105 HydrophobicContact CG-CB 4.09Å; P70-L105 HydrophobicContact CG-CD1 4.22Å; P70-P106 WeakPolarHBondContact CD-O 3.25Å; P70-E107 WeakPolarHBondContact CD-O 3.36Å; P70-L109 HydrophobicContact CG-CD1 3.6Å; P70-L109 HydrophobicContact CG-CG 3.84Å
71Q95.3Very high94.2Very high2 Ų223.6 Ų23.61%0.00912%0.118CC..THydrogen-bonded Turntrans-90.55.6-178.9-55-172.334.100112.9L69 S73 L102 T103 L105 R240L69-Q71 PolarHBondContact O-N 3.28Å; Q71-S73 PolarHBondContact O-N 3.26Å; Q71-S73 VanDerWaalsContact O-N 3.08Å; Q71-L102 WeakPolarHBondContact CG-O 3.43Å; Q71-T103 PolarHBondContact NE2-O 3.2Å; Q71-L105 PolarHBondContact NE2-O 2.93Å; Q71-R240 PolarHBondContact O-NH2 3.03Å
72N95.9Very high93.4Very high3 Ų329 Ų292%0.01615%0.146CC..  trans49.337-179.8-147.8-13.6000113.4A33 G34 E35 V38 L69 P70 R240A33-N72 CarbonylContact C-O 3.59Å; A33-N72 VanDerWaalsContact CA-O 3.24Å; A33-N72 WeakPolarHBondContact CA-O 3Å; G34-N72 VanDerWaalsContact CA-ND2 3.33Å; G34-N72 WeakPolarHBondContact CA-ND2 3.47Å; G34-N72 PolarHBondContact N-O 3.38Å; E35-N72 PolarHBondContact O-ND2 3.18Å; V38-N72 WeakPolarHBondContact O-CB 3.06Å; V38-N72 PolarHBondContact O-ND2 3.08Å; V38-N72 VanDerWaalsContact O-ND2 3.08Å; L69-N72 PolarHBondContact O-N 3.48Å; P70-N72 VanDerWaalsContact C-N 3.31Å; N72-R240 PolarHBondContact O-NH2 2.95Å
73S94.5Very high92.8Very high5 Ų527.2 Ų27.24%0.03514%0.144CC..  trans-62.6151.3-177.3-61.10000110.9Q71 H75 E107Q71-S73 PolarHBondContact O-N 3.26Å; Q71-S73 VanDerWaalsContact O-N 3.08Å; S73-H75 PolarHBondContact O-ND1 2.92Å; S73-E107 PolarHBondContact OG-OE2 3.4Å
74A94.7Very high92.6Very high1 Ų127.7 Ų27.71%0.00815%0.149CC..  trans-63.7142.2171.900000109.4H31 A33 L54 F282H31-A74 CarbonylContact O-C 3.54Å; H31-A74 WeakPolarHBondContact O-CA 3.47Å; H31-A74 VanDerWaalsContact O-CB 3.3Å; H31-A74 WeakPolarHBondContact O-CB 3.32Å; A33-A74 HydrophobicContact CB-CB 4.23Å; L54-A74 HydrophobicContact CD1-CB 3.55Å; L54-A74 HydrophobicContact CD2-CB 4.4Å; L54-A74 HydrophobicContact CG-CB 3.91Å; A74-F282 HydrophobicContact CB-CB 4.12Å
75H95.5Very high92.8Very high0 Ų027.5 Ų27.50%015%0.147CC..EExtended strand (participates in β ladder)trans-160.5167.7-176.762.9-75.1000109.5H31 H42 L51 E52 M53 L69 S73 F282H31-H75 WeakPolarHBondContact CB-CE1 3.14Å; H31-H75 WeakPolarHBondContact CB-O 3.5Å; H31-H75 AromaticContact CG-CE1 3.65Å; H31-H75 AromaticContact CG-NE2 3.47Å; H31-H75 PolarHBondContact N-O 3.29Å; H31-H75 AromaticContact ND1-NE2 3.57Å; H31-H75 PolarHBondContact O-N 3.37Å; H42-H75 AromaticContact CD2-NE2 3.76Å; H42-H75 AromaticContact CE1-NE2 3.76Å; H42-H75 AromaticContact NE2-CD2 3.84Å; H42-H75 AromaticContact NE2-CE1 3.64Å; H42-H75 AromaticContact NE2-NE2 2.85Å; H42-H75 PolarHBondContact NE2-NE2 2.89Å; L51-H75 HydrophobicContact CD1-CB 3.77Å; L51-H75 WeakPolarHBondContact CD1-CD2 3.33Å; E52-H75 CarbonylContact O-C 3.53Å; E52-H75 WeakPolarHBondContact O-CA 3.41Å; E52-H75 VanDerWaalsContact O-CB 3.28Å; E52-H75 WeakPolarHBondContact O-CB 3.44Å; M53-H75 HydrophobicContact SD-CB 3.82Å; L69-H75 HydrophobicContact CD2-CB 4.16Å; L69-H75 VanDerWaalsContact CD2-ND1 3.3Å; L69-H75 WeakPolarHBondContact CD2-ND1 3.43Å; S73-H75 PolarHBondContact O-ND1 2.92Å; H75-F282 VanDerWaalsContact C-CD1 3.42Å
76R95.2Very high92.8Very high35 Ų3526.2 Ų26.213%0.13214%0.141CC..EExtended strand (participates in β ladder)trans-126.1132.3178-175.3-174.1-51.5-79.2-15108.8L51 E52 Q281 F282L51-R76 WeakPolarHBondContact CA-O 3.47Å; E52-R76 HydrophobicContact CB-CB 4.32Å; E52-R76 PolarHBondContact N-O 3.18Å; E52-R76 PolarHBondContact O-N 2.91Å; E52-R76 IonicContact OE2-NE 3.7Å; R76-Q281 PolarHBondContact NH2-O 3.23Å; R76-F282 HydrophobicContact CB-CD1 3.9Å; R76-F282 HydrophobicContact CB-CE1 3.54Å; R76-F282 HydrophobicContact CB-CZ 4.43Å
77L95.4Very high92.6Very high0 Ų026.2 Ų26.20%014%0.141CC..EExtended strand (participates in β ladder)trans-96.8134.9162.3-64.5174.4000108.3W27 Q28 L29 H42 K50 L51 L61 I87W27-L77 HydrophobicContact CH2-CB 4.34Å; W27-L77 VanDerWaalsContact CZ3-C 3.42Å; W27-L77 HydrophobicContact CZ3-CB 3.84Å; W27-L77 WeakPolarHBondContact CZ3-O 3.4Å; Q28-L77 CarbonylContact C-O 3.53Å; Q28-L77 WeakPolarHBondContact CA-O 3.44Å; L29-L77 HydrophobicContact CB-CB 4.31Å; L29-L77 PolarHBondContact N-O 2.73Å; L29-L77 PolarHBondContact O-N 2.95Å; H42-L77 HydrophobicContact CB-CD1 4.38Å; K50-L77 CarbonylContact O-C 3.47Å; K50-L77 VanDerWaalsContact O-CA 3.25Å; K50-L77 WeakPolarHBondContact O-CA 3.46Å; L51-L77 HydrophobicContact CB-CD2 4.04Å; L51-L77 HydrophobicContact CD1-CD2 3.9Å; L61-L77 HydrophobicContact CD1-CD2 3.7Å; L77-I87 HydrophobicContact CD1-CD1 4.32Å; L77-I87 HydrophobicContact CD1-CG2 4.46Å
78S94.7Very high92.4Very high20 Ų2026.1 Ų26.114%0.1414%0.141CC..EExtended strand (participates in β ladder)trans-137.9160.6172.870.10000111.6W27 A49 K50W27-S78 VanDerWaalsContact CH2-O 3.29Å; W27-S78 WeakPolarHBondContact CH2-O 3.33Å; W27-S78 WeakPolarHBondContact O-CA 3.48Å; A49-S78 CarbonylContact C-O 3.56Å; A49-S78 WeakPolarHBondContact CA-O 3.44Å; K50-S78 PolarHBondContact N-O 3.16Å; K50-S78 PolarHBondContact O-N 2.87Å
79H93.4Very high92.3Very high45 Ų4526.4 Ų26.421%0.20814%0.143CC..EExtended strand (participates in β ladder)trans-53.7149.717570-78.7000112.6D26 W27 D81D26-H79 WeakPolarHBondContact CA-ND1 3.41Å; D26-H79 IonicContact OD1-CE1 3.93Å; D26-H79 IonicContact OD1-NE2 3.82Å; W27-H79 HydrophobicContact CD2-CB 4.12Å; W27-H79 VanDerWaalsContact CE2-CA 3.48Å; W27-H79 HydrophobicContact CG-CB 4.2Å; W27-H79 VanDerWaalsContact CZ2-CA 3.46Å; W27-H79 HydrophobicContact CZ2-CB 4.17Å; W27-H79 PolarHBondContact O-N 3.44Å; W27-H79 VanDerWaalsContact O-N 3.12Å; W27-H79 PolarHBondContact O-ND1 3.34Å; H79-D81 PolarHBondContact CD2-O 3.36Å
80V90.2Very high92.2Very high14 Ų1426.5 Ų26.59%0.08514%0.143CC..  trans-113.6115162.7175.20000105.8A48 A49 K50 T60A48-V80 HydrophobicContact CB-CB 3.75Å; A48-V80 HydrophobicContact CB-CG1 4.03Å; A48-V80 HydrophobicContact CB-CG2 3.98Å; A48-V80 PolarHBondContact O-N 3.09Å; A49-V80 VanDerWaalsContact C-CG2 3.41Å; K50-V80 HydrophobicContact CB-CG2 4.5Å; K50-V80 HydrophobicContact CG-CG2 3.53Å; T60-V80 HydrophobicContact CG2-CG2 4.3Å
81D83.2Confident92.2Very high116 Ų11627.4 Ų27.462%0.6215%0.149SC*.THydrogen-bonded Turntrans54.7-172.9-176.4-51.5-42.7000112.5H79 E83H79-D81 PolarHBondContact CD2-O 3.36Å; D81-E83 PolarHBondContact O-N 3.33Å
82N77.3Confident92.3Very high122 Ų12227.3 Ų27.365%0.65215%0.149SC*.THydrogen-bonded Turntrans-87.535-178.4-77.7-15.1000113.1
83E80.7Confident92.3Very high104 Ų10431.5 Ų31.549%0.48616%0.164SC..  trans-90.8137.3-179.3-64.3-170.1170.300112.5D81 T85D81-E83 PolarHBondContact O-N 3.33Å; E83-T85 PolarHBondContact O-N 2.76Å; E83-T85 PolarHBondContact O-OG1 2.96Å
84S89.4Confident92.3Very high59 Ų5931.8 Ų31.841%0.41317%0.165SC..  trans-59.8125.6170.2-179.10000110
85T93.3Very high92.1Very high0 Ų036.5 Ų36.50%019%0.187CC..EExtended strand (participates in β ladder)trans-121.7129.3-173.5-63.80000110.9L23 W27 L44 A48 E83 I87L23-T85 PolarHBondContact N-O 3.24Å; L23-T85 PolarHBondContact O-N 2.95Å; W27-T85 HydrophobicContact CZ2-CG2 3.77Å; L44-T85 HydrophobicContact CD2-CG2 3.86Å; L44-T85 HydrophobicContact CG-CG2 4.42Å; A48-T85 PolarHBondContact O-OG1 3.16Å; E83-T85 PolarHBondContact O-N 2.76Å; E83-T85 PolarHBondContact O-OG1 2.96Å; T85-I87 HydrophobicContact CG2-CD1 4.01Å; T85-I87 HydrophobicContact CG2-CG1 3.71Å
86C93Very high91.8Very high20 Ų2043.1 Ų43.114%0.13522%0.218CC..EExtended strand (participates in β ladder)trans-111119.8175.7-68.40000109.8C21 L44 T45 Q46C21-C86 WeakPolarHBondContact O-CA 3.38Å; L44-C86 WeakPolarHBondContact CA-O 3.19Å; T45-C86 PolarHBondContact N-O 3.08Å; T45-C86 VanDerWaalsContact OG1-CB 3.26Å; T45-C86 WeakPolarHBondContact OG1-CB 3.47Å; Q46-C86 HydrophobicContact CB-CB 3.87Å; Q46-C86 PolarHBondContact O-N 3.28Å; Q46-C86 PolarHBondContact OE1-SG 2.9Å
87I93.6Very high91.4Very high1 Ų145 Ų451%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-121135.2-176.7-45.5-175.1000110C21 L23 W27 L44 A49 L77 T85C21-I87 HydrophobicContact CB-CB 4.48Å; C21-I87 PolarHBondContact N-O 3.46Å; C21-I87 PolarHBondContact O-N 3.16Å; L23-I87 HydrophobicContact CD1-CD1 3.75Å; L23-I87 HydrophobicContact CD1-CG1 4.18Å; W27-I87 HydrophobicContact CH2-CD1 3.52Å; W27-I87 HydrophobicContact CZ2-CD1 4.08Å; W27-I87 HydrophobicContact CZ3-CD1 4.07Å; L44-I87 HydrophobicContact CG-CG1 4.25Å; A49-I87 HydrophobicContact CB-CD1 4.24Å; L77-I87 HydrophobicContact CD1-CD1 4.32Å; L77-I87 HydrophobicContact CD1-CG2 4.46Å; T85-I87 HydrophobicContact CG2-CD1 4.01Å; T85-I87 HydrophobicContact CG2-CG1 3.71Å
88V94.3Very high91.1Very high0 Ų045.1 Ų45.10%024%0.237CC..EExtended strand (participates in β ladder)trans-108.1125.2169.1-169.60000108I17 K19 W41 H42 A43 T45 I127 Q131I17-V88 HydrophobicContact CG2-CG1 3.93Å; K19-V88 WeakPolarHBondContact O-CA 3.49Å; W41-V88 HydrophobicContact CH2-CG1 3.8Å; W41-V88 HydrophobicContact CZ3-CB 4.35Å; W41-V88 HydrophobicContact CZ3-CG1 4.07Å; H42-V88 WeakPolarHBondContact CA-O 3.23Å; A43-V88 PolarHBondContact N-O 3.39Å; A43-V88 PolarHBondContact O-N 3.48Å; T45-V88 HydrophobicContact CG2-CG2 4.06Å; V88-I127 HydrophobicContact CB-CG2 4.31Å; V88-I127 HydrophobicContact CG2-CG2 3.85Å; V88-Q131 HydrophobicContact CG1-CG 4.17Å; V88-Q131 HydrophobicContact CG2-CG 3.56Å
89C95.3Very high91Very high8 Ų849 Ų495%0.05425%0.249CC..EExtended strand (participates in β ladder)trans-119.5145.5179.3-520000109.5D18 K19 H42D18-C89 PolarHBondContact N-O 2.87Å; K19-C89 HydrophobicContact CB-CB 4.32Å; K19-C89 PolarHBondContact N-O 2.8Å; K19-C89 PolarHBondContact O-N 3.14Å; H42-C89 PolarHBondContact ND1-SG 2.83Å
90G95.3Very high90.7Very high1 Ų148.7 Ų48.71%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-159.4-178.2174.200000112.8T16 W41T16-G90 WeakPolarHBondContact O-CA 3.4Å; W41-G90 PolarHBondContact N-O 3.13Å; W41-G90 VanDerWaalsContact NE1-C 3.29Å; W41-G90 PolarHBondContact O-N 3.01Å; W41-G90 VanDerWaalsContact O-N 3.09Å
91T96.3Very high90.7Very high20 Ų2048.4 Ų48.412%0.12324%0.244CC..EExtended strand (participates in β ladder)trans-129157175.663.90000111.9G15 T16 D18 V38 I39G15-T91 CarbonylContact C-O 3.56Å; G15-T91 VanDerWaalsContact CA-O 3.3Å; G15-T91 WeakPolarHBondContact CA-O 3.24Å; T16-T91 PolarHBondContact N-O 3.14Å; T16-T91 PolarHBondContact O-N 2.94Å; T16-T91 VanDerWaalsContact O-N 3.14Å; T16-T91 PolarHBondContact OG1-OG1 3.23Å; D18-T91 WeakPolarHBondContact OD2-CG2 3.28Å; V38-T91 HydrophobicContact CG1-CG2 3.77Å; I39-T91 CarbonylContact O-C 3.57Å; I39-T91 VanDerWaalsContact O-CA 3.22Å; I39-T91 WeakPolarHBondContact O-CA 3.48Å
92L96.4Very high91.1Very high0 Ų043 Ų430%021%0.214CC..EExtended strand (participates in β ladder)trans-126.9107167.9-17267.3000108P13 Q14 I39 L94 C149 F153P13-L92 HydrophobicContact CB-CD1 3.62Å; P13-L92 HydrophobicContact CB-CD2 4.03Å; P13-L92 HydrophobicContact CB-CG 3.85Å; Q14-L92 CarbonylContact O-C 3.53Å; Q14-L92 WeakPolarHBondContact O-CA 3.46Å; I39-L92 HydrophobicContact CB-CB 4.18Å; I39-L92 HydrophobicContact CD1-CD2 4.33Å; I39-L92 PolarHBondContact N-O 3.47Å; I39-L92 PolarHBondContact O-N 3.18Å; L92-L94 HydrophobicContact CD2-CD1 4.28Å; L92-L94 HydrophobicContact CG-CD1 4.11Å; L92-L94 WeakPolarHBondContact O-CD1 3.49Å; L92-C149 HydrophobicContact CD1-CB 3.68Å; L92-F153 HydrophobicContact CD2-CB 3.73Å; L92-F153 HydrophobicContact CD2-CD1 4.18Å; L92-F153 HydrophobicContact CD2-CG 4.17Å
93R95.7Very high91.8Very high91 Ų9137.3 Ų37.334%0.34318%0.184SC..EExtended strand (participates in β ladder)trans-88.1125.9178.3-177.1173.9-65.2-81.81.8109.9P13 Q14 E35 V38P13-R93 CarbonylContact C-O 3.36Å; P13-R93 WeakPolarHBondContact CA-O 3.37Å; Q14-R93 HydrophobicContact CB-CB 4.48Å; Q14-R93 PolarHBondContact N-O 2.86Å; Q14-R93 PolarHBondContact O-N 3.26Å; E35-R93 VanDerWaalsContact CD-NH1 3.3Å; E35-R93 IonicContact OE1-CZ 3.58Å; E35-R93 IonicContact OE1-NH1 3.16Å; E35-R93 PolarHBondContact OE1-NH1 3.24Å; E35-R93 VanDerWaalsContact OE1-NH1 3.16Å; E35-R93 IonicContact OE1-NH2 3.03Å; E35-R93 PolarHBondContact OE1-NH2 3.36Å; E35-R93 IonicContact OE2-CZ 3.85Å; E35-R93 IonicContact OE2-NH1 2.76Å; E35-R93 PolarHBondContact OE2-NH1 3.16Å; V38-R93 HydrophobicContact CG2-CB 4.25Å; V38-R93 HydrophobicContact CG2-CG 4.09Å; V38-R93 VanDerWaalsContact CG2-NH1 3.3Å
94L94.5Very high92.2Very high10 Ų1032.8 Ų32.85%0.05216%0.164CC..  trans-107169.8172.6-7282000109.3N11 P13 S37 I39 L92 A98 L102N11-L94 HydrophobicContact CB-CB 4.14Å; N11-L94 HydrophobicContact CB-CD2 3.74Å; N11-L94 HydrophobicContact CB-CG 4.12Å; P13-L94 HydrophobicContact CB-CG 4.46Å; S37-L94 PolarHBondContact O-N 3.09Å; I39-L94 HydrophobicContact CD1-CD1 3.8Å; I39-L94 HydrophobicContact CG1-CD1 3.89Å; L92-L94 HydrophobicContact CD2-CD1 4.28Å; L92-L94 HydrophobicContact CG-CD1 4.11Å; L92-L94 WeakPolarHBondContact O-CD1 3.49Å; L94-A98 HydrophobicContact CB-CB 3.58Å; L94-A98 HydrophobicContact CD2-CB 3.73Å; L94-A98 HydrophobicContact CG-CB 4.3Å; L94-L102 HydrophobicContact CD1-CD1 4.49Å; L94-L102 HydrophobicContact CD2-CD2 4.42Å
95Q92.4Very high92.4Very high101 Ų10130.1 Ų30.147%0.47215%0.145SC..  trans-56.7149.8167.4-66.8-176.8-6.900111.4N11 S97 A98N11-Q95 PolarHBondContact O-N 3.41Å; Q95-S97 PolarHBondContact O-N 3.29Å; Q95-S97 VanDerWaalsContact O-N 3.13Å; Q95-A98 WeakPolarHBondContact O-CB 3.46Å; Q95-A98 PolarHBondContact O-N 3.39Å
96H89.1Confident92.3Very high139 Ų13932 Ų3264%0.64416%0.157SC*.G310 helixtrans-58-29.4179.8-73-60.8000113.8S37 A98 R99S37-H96 PolarHBondContact OG-ND1 3.33Å; H96-A98 PolarHBondContact O-N 2.97Å; H96-R99 WeakPolarHBondContact O-CB 3.5Å; H96-R99 WeakPolarHBondContact O-CG 3.46Å; H96-R99 PolarHBondContact O-N 3.43Å
97S86.1Confident92.3Very high74 Ų7432.7 Ų32.752%0.51716%0.158SC..G310 helixtrans-61.8-23.2174.149.70000113.3Q95 R99Q95-S97 PolarHBondContact O-N 3.29Å; Q95-S97 VanDerWaalsContact O-N 3.13Å; S97-R99 PolarHBondContact O-N 3.16Å
98A89.7Confident92.4Very high2 Ų233.7 Ų33.72%0.01717%0.165CC..G310 helixtrans-67.9-17.7178.700000113.6N11 L94 Q95 H96 Y100 F101 L102N11-A98 HydrophobicContact CB-CB 4.46Å; N11-A98 VanDerWaalsContact OD1-CB 3.23Å; N11-A98 WeakPolarHBondContact OD1-CB 3.23Å; L94-A98 HydrophobicContact CB-CB 3.58Å; L94-A98 HydrophobicContact CD2-CB 3.73Å; L94-A98 HydrophobicContact CG-CB 4.3Å; Q95-A98 WeakPolarHBondContact O-CB 3.46Å; Q95-A98 PolarHBondContact O-N 3.39Å; H96-A98 PolarHBondContact O-N 2.97Å; A98-Y100 PolarHBondContact O-N 2.99Å; A98-F101 WeakPolarHBondContact O-CA 3.33Å; A98-F101 WeakPolarHBondContact O-CB 3.34Å; A98-F101 PolarHBondContact O-N 3.19Å; A98-L102 HydrophobicContact CB-CD1 4.43Å; A98-L102 WeakPolarHBondContact O-CG 3.49Å; A98-L102 PolarHBondContact O-N 3.28Å
99R90.9Very high92.4Very high102 Ų10233.8 Ų33.839%0.38517%0.165SC..Hα-helixtrans-52.6-36.2-172.374.8-178.8-164.8147.81.4113.5L36 H96 S97 L102 T103L36-R99 HydrophobicContact CB-CB 4.02Å; L36-R99 WeakPolarHBondContact O-CA 3.38Å; H96-R99 WeakPolarHBondContact O-CB 3.5Å; H96-R99 WeakPolarHBondContact O-CG 3.46Å; H96-R99 PolarHBondContact O-N 3.43Å; S97-R99 PolarHBondContact O-N 3.16Å; R99-L102 PolarHBondContact O-N 3.17Å; R99-T103 WeakPolarHBondContact O-CB 3.17Å; R99-T103 PolarHBondContact O-N 3.46Å; R99-T103 PolarHBondContact O-OG1 3.33Å
100Y87.5Confident92.5Very high39 Ų3936.1 Ų36.115%0.15318%0.175CC..Hα-helixtrans-74-40.2-179.6-59.2-45.8000112A98 L102 T103 S104 L187 E188A98-Y100 PolarHBondContact O-N 2.99Å; Y100-L102 VanDerWaalsContact C-N 3.35Å; Y100-T103 PolarHBondContact O-N 3.23Å; Y100-S104 PolarHBondContact O-N 3.49Å; Y100-S104 VanDerWaalsContact O-N 3.09Å; Y100-L187 HydrophobicContact CD1-CB 3.59Å; Y100-L187 HydrophobicContact CE1-CB 4.2Å; Y100-L187 WeakPolarHBondContact CE1-O 3.47Å; Y100-L187 HydrophobicContact CG-CB 3.85Å; Y100-E188 HydrophobicContact CD2-CG 3.99Å; Y100-E188 HydrophobicContact CE1-CG 4.42Å; Y100-E188 HydrophobicContact CE2-CB 4.35Å; Y100-E188 HydrophobicContact CE2-CG 3.21Å; Y100-E188 VanDerWaalsContact CZ-CG 3.45Å; Y100-E188 WeakPolarHBondContact OH-CA 3.23Å; Y100-E188 WeakPolarHBondContact OH-CG 3.44Å
101F89.8Confident92.5Very high8 Ų836.3 Ų36.34%0.03518%0.175CC..Hα-helixtrans-60.4-46.7170.1162.4-112000110.9L4 L7 L8 A98 T103 S104 L105 F153 L171 L174L4-F101 HydrophobicContact CD1-CE2 4.39Å; L4-F101 HydrophobicContact CD1-CZ 4.27Å; L7-F101 HydrophobicContact CD1-CB 4.08Å; L7-F101 HydrophobicContact CD1-CD2 3.36Å; L7-F101 HydrophobicContact CD1-CE2 3.84Å; L7-F101 HydrophobicContact CD1-CG 3.76Å; L7-F101 HydrophobicContact CD2-CB 3.84Å; L7-F101 HydrophobicContact CD2-CD1 3.18Å; L7-F101 HydrophobicContact CD2-CD2 3.51Å; L7-F101 HydrophobicContact CD2-CE1 3.4Å; L7-F101 VanDerWaalsContact CD2-CE1 3.4Å; L7-F101 HydrophobicContact CD2-CE2 3.73Å; L7-F101 HydrophobicContact CD2-CG 3.21Å; L7-F101 HydrophobicContact CD2-CZ 3.68Å; L7-F101 HydrophobicContact CG-CD1 4.48Å; L7-F101 HydrophobicContact CG-CD2 4.09Å; L7-F101 HydrophobicContact CG-CE2 4.39Å; L7-F101 HydrophobicContact CG-CG 4.12Å; L8-F101 HydrophobicContact CD2-CE1 4.32Å; L8-F101 HydrophobicContact CD2-CZ 4.27Å; A98-F101 WeakPolarHBondContact O-CA 3.33Å; A98-F101 WeakPolarHBondContact O-CB 3.34Å; A98-F101 PolarHBondContact O-N 3.19Å; F101-T103 VanDerWaalsContact C-N 3.29Å; F101-T103 PolarHBondContact O-N 2.92Å; F101-S104 WeakPolarHBondContact O-CB 3.1Å; F101-S104 PolarHBondContact O-N 3.34Å; F101-S104 PolarHBondContact O-OG 3.4Å; F101-L105 HydrophobicContact CE1-CD1 4.04Å; F101-L105 HydrophobicContact CE2-CD1 4.25Å; F101-L105 HydrophobicContact CE2-CD2 4.24Å; F101-L105 HydrophobicContact CE2-CG 4.4Å; F101-L105 HydrophobicContact CZ-CD1 3.85Å; F101-L105 HydrophobicContact CZ-CD2 4.48Å; F101-L105 HydrophobicContact CZ-CG 4.47Å; F101-F153 AromaticContact CE1-CE1 3.75Å; F101-F153 HydrophobicContact CE1-CE1 3.75Å; F101-F153 AromaticContact CE1-CZ 3.57Å; F101-F153 HydrophobicContact CE1-CZ 3.57Å; F101-F153 HydrophobicContact CZ-CE1 4.26Å; F101-F153 AromaticContact CZ-CZ 3.96Å; F101-F153 HydrophobicContact CZ-CZ 3.96Å; F101-L171 HydrophobicContact CD2-CD1 3.81Å; F101-L171 HydrophobicContact CE2-CD1 3.58Å; F101-L174 HydrophobicContact CB-CD2 4.16Å; F101-L174 HydrophobicContact CD2-CD2 4.13Å
102L93.2Very high92.4Very high1 Ų137.1 Ų37.11%0.00518%0.184CC..Hα-helixtrans-63.2-35.8178.6-62.8177.4000112.5L36 I39 P70 Q71 L94 A98 R99 Y100 S104 L105 F153L36-L102 WeakPolarHBondContact O-CD1 3.49Å; I39-L102 HydrophobicContact CD1-CD2 3.64Å; I39-L102 HydrophobicContact CG1-CD1 4.11Å; I39-L102 HydrophobicContact CG1-CD2 3.9Å; P70-L102 HydrophobicContact CB-CB 4.41Å; P70-L102 HydrophobicContact CB-CD2 4.16Å; Q71-L102 WeakPolarHBondContact CG-O 3.43Å; L94-L102 HydrophobicContact CD1-CD1 4.49Å; L94-L102 HydrophobicContact CD2-CD2 4.42Å; A98-L102 HydrophobicContact CB-CD1 4.43Å; A98-L102 WeakPolarHBondContact O-CG 3.49Å; A98-L102 PolarHBondContact O-N 3.28Å; R99-L102 PolarHBondContact O-N 3.17Å; Y100-L102 VanDerWaalsContact C-N 3.35Å; L102-S104 VanDerWaalsContact C-N 3.25Å; L102-S104 PolarHBondContact O-N 3.18Å; L102-L105 HydrophobicContact CD2-CD1 4.18Å; L102-L105 WeakPolarHBondContact O-CB 3.34Å; L102-L105 PolarHBondContact O-N 3.47Å; L102-F153 HydrophobicContact CD2-CE1 4.48Å; L102-F153 HydrophobicContact CD2-CE2 4.39Å; L102-F153 HydrophobicContact CD2-CZ 3.78Å
103T91.7Very high92.2Very high4 Ų437.8 Ų37.83%0.02519%0.188CC..Hα-helixtrans-66.9-25.4173.8-590000112.7Q71 R99 Y100 F101 L105 L187 Q236Q71-T103 PolarHBondContact NE2-O 3.2Å; R99-T103 WeakPolarHBondContact O-CB 3.17Å; R99-T103 PolarHBondContact O-N 3.46Å; R99-T103 PolarHBondContact O-OG1 3.33Å; Y100-T103 PolarHBondContact O-N 3.23Å; F101-T103 VanDerWaalsContact C-N 3.29Å; F101-T103 PolarHBondContact O-N 2.92Å; T103-L105 VanDerWaalsContact C-N 3.26Å; T103-L105 PolarHBondContact O-N 3.42Å; T103-L187 HydrophobicContact CG2-CD2 4.01Å; T103-Q236 PolarHBondContact OG1-NE2 2.76Å; T103-Q236 VanDerWaalsContact OG1-NE2 3.17Å
104S89.7Confident92Very high8 Ų839.1 Ų39.16%0.05621%0.206CC..THydrogen-bonded Turntrans-76.7-12.5175.478.10000114Y100 F101 L102Y100-S104 PolarHBondContact O-N 3.49Å; Y100-S104 VanDerWaalsContact O-N 3.09Å; F101-S104 WeakPolarHBondContact O-CB 3.1Å; F101-S104 PolarHBondContact O-N 3.34Å; F101-S104 PolarHBondContact O-OG 3.4Å; L102-S104 VanDerWaalsContact C-N 3.25Å; L102-S104 PolarHBondContact O-N 3.18Å
105L91.8Very high91.8Very high4 Ų443.6 Ų43.62%0.02123%0.231CC..SBendtrans-90.6156.6177-58.9174.2000110.5P70 Q71 F101 L102 T103 L109 F153 V157 W160 L171P70-L105 HydrophobicContact CB-CB 4.08Å; P70-L105 HydrophobicContact CB-CD1 4.07Å; P70-L105 HydrophobicContact CG-CB 4.09Å; P70-L105 HydrophobicContact CG-CD1 4.22Å; Q71-L105 PolarHBondContact NE2-O 2.93Å; F101-L105 HydrophobicContact CE1-CD1 4.04Å; F101-L105 HydrophobicContact CE2-CD1 4.25Å; F101-L105 HydrophobicContact CE2-CD2 4.24Å; F101-L105 HydrophobicContact CE2-CG 4.4Å; F101-L105 HydrophobicContact CZ-CD1 3.85Å; F101-L105 HydrophobicContact CZ-CD2 4.48Å; F101-L105 HydrophobicContact CZ-CG 4.47Å; L102-L105 HydrophobicContact CD2-CD1 4.18Å; L102-L105 WeakPolarHBondContact O-CB 3.34Å; L102-L105 PolarHBondContact O-N 3.47Å; T103-L105 VanDerWaalsContact C-N 3.26Å; T103-L105 PolarHBondContact O-N 3.42Å; L105-L109 HydrophobicContact CD1-CD1 4.18Å; L105-F153 HydrophobicContact CD1-CE2 3.74Å; L105-F153 HydrophobicContact CD1-CZ 3.62Å; L105-V157 HydrophobicContact CD1-CG2 4.15Å; L105-V157 HydrophobicContact CD2-CG1 4.5Å; L105-V157 HydrophobicContact CD2-CG2 4.47Å; L105-W160 HydrophobicContact CD2-CE3 4.31Å; L105-W160 HydrophobicContact CD2-CZ3 4Å; L105-L171 HydrophobicContact CD2-CD1 4.36Å; L105-L171 HydrophobicContact CD2-CD2 3.83Å; L105-L171 HydrophobicContact CD2-CG 4.46Å
106P91.7Very high91.7Very high38 Ų3845.7 Ų45.725%0.24724%0.24CC..  trans-54.7156170.1-21.331.1000112.3P70 T108 L109 W160P70-P106 WeakPolarHBondContact CD-O 3.25Å; P106-T108 PolarHBondContact O-N 2.91Å; P106-L109 HydrophobicContact CG-CD2 4.13Å; P106-W160 HydrophobicContact CG-CD2 4.03Å; P106-W160 HydrophobicContact CG-CG 4.38Å; P106-W160 HydrophobicContact CG-CH2 4.4Å; P106-W160 HydrophobicContact CG-CZ2 3.59Å; P106-W160 VanDerWaalsContact CG-NE1 3.3Å
107E92.9Very high91.9Very high35 Ų3540.5 Ų40.516%0.16422%0.219CC..SBendtrans-61.8-29.5175.5-64.5-156.3171.700112.6M53 L69 P70 S73M53-E107 HydrophobicContact CE-CB 4.1Å; L69-E107 VanDerWaalsContact CA-O 3.32Å; L69-E107 WeakPolarHBondContact CA-O 3.46Å; P70-E107 WeakPolarHBondContact CD-O 3.36Å; S73-E107 PolarHBondContact OG-OE2 3.4Å
108T95.8Very high92.4Very high23 Ų2342.6 Ų42.614%0.14123%0.229CC..  trans-126.2125.4176.157.60000110.8L51 M53 F59 L68 P106L51-T108 HydrophobicContact CD2-CG2 4.26Å; M53-T108 HydrophobicContact CE-CG2 3.76Å; M53-T108 HydrophobicContact CG-CG2 4.01Å; M53-T108 HydrophobicContact SD-CG2 3.6Å; M53-T108 VanDerWaalsContact SD-CG2 3.6Å; F59-T108 HydrophobicContact CE2-CG2 4.06Å; L68-T108 CarbonylContact O-C 3.56Å; L68-T108 WeakPolarHBondContact O-CA 3.2Å; P106-T108 PolarHBondContact O-N 2.91Å
109L95.5Very high92.5Very high2 Ų245.9 Ų45.91%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-108.6131.3165.9-71.9175.7000108.9V67 L68 P70 L105 P106 F153 A156 V157 W160V67-L109 WeakPolarHBondContact CA-O 3.34Å; L68-L109 HydrophobicContact CB-CB 4.38Å; L68-L109 PolarHBondContact N-O 2.91Å; L68-L109 PolarHBondContact O-N 3.38Å; P70-L109 HydrophobicContact CG-CD1 3.6Å; P70-L109 HydrophobicContact CG-CG 3.84Å; L105-L109 HydrophobicContact CD1-CD1 4.18Å; P106-L109 HydrophobicContact CG-CD2 4.13Å; L109-F153 HydrophobicContact CD1-CD2 4.35Å; L109-F153 HydrophobicContact CD1-CE2 3.94Å; L109-A156 HydrophobicContact CB-CB 4.05Å; L109-V157 HydrophobicContact CD1-CG2 3.65Å; L109-W160 HydrophobicContact CD2-CB 3.63Å; L109-W160 HydrophobicContact CD2-CD2 4.14Å; L109-W160 HydrophobicContact CD2-CG 3.68Å
110F95.8Very high92.7Very high57 Ų5742.6 Ų42.625%0.2523%0.232CC..EExtended strand (participates in β ladder)trans-104.4127.8174.2-69.5-88.1000109.1F59 L61 V67 A112F59-F110 HydrophobicContact CB-CE1 4.34Å; F59-F110 HydrophobicContact CB-CZ 3.81Å; F59-F110 AromaticContact CD1-CE2 3.78Å; F59-F110 HydrophobicContact CD1-CE2 3.78Å; F59-F110 AromaticContact CD1-CZ 3.56Å; F59-F110 HydrophobicContact CD1-CZ 3.56Å; F59-F110 HydrophobicContact CD2-CE2 4.46Å; F59-F110 AromaticContact CD2-CZ 3.96Å; F59-F110 HydrophobicContact CD2-CZ 3.96Å; F59-F110 AromaticContact CE1-CE2 3.81Å; F59-F110 HydrophobicContact CE1-CE2 3.81Å; F59-F110 HydrophobicContact CE1-CZ 4.06Å; F59-F110 HydrophobicContact CE2-CE2 4.48Å; F59-F110 HydrophobicContact CE2-CZ 4.41Å; F59-F110 HydrophobicContact CG-CE1 4.47Å; F59-F110 HydrophobicContact CG-CE2 4.12Å; F59-F110 AromaticContact CG-CZ 3.5Å; F59-F110 HydrophobicContact CG-CZ 3.5Å; F59-F110 HydrophobicContact CZ-CE2 4.17Å; F59-F110 HydrophobicContact CZ-CZ 4.46Å; L61-F110 HydrophobicContact CD2-CE1 3.73Å; V67-F110 HydrophobicContact CB-CD1 4.1Å; V67-F110 HydrophobicContact CB-CE1 3.87Å; V67-F110 HydrophobicContact CG2-CD1 4.11Å; V67-F110 HydrophobicContact CG2-CE1 3.67Å; V67-F110 HydrophobicContact CG2-CE2 4.43Å; V67-F110 HydrophobicContact CG2-CZ 3.84Å; F110-A112 HydrophobicContact CB-CB 4.39Å
111L96Very high93Very high4 Ų444 Ų442%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-99.596.9160.1175.755.8000106.4N65 V66 L68 L123 F152 L155 A156N65-L111 WeakPolarHBondContact CA-O 3.45Å; V66-L111 HydrophobicContact CB-CB 4.3Å; V66-L111 PolarHBondContact N-O 3.44Å; V66-L111 PolarHBondContact O-N 3.46Å; L68-L111 HydrophobicContact CD1-CB 4.44Å; L111-L123 HydrophobicContact CD1-CD1 4.32Å; L111-L123 HydrophobicContact CD2-CD1 3.88Å; L111-L123 HydrophobicContact CD2-CD2 3.7Å; L111-L123 HydrophobicContact CD2-CG 4.29Å; L111-L123 HydrophobicContact CG-CD1 3.65Å; L111-L123 HydrophobicContact CG-CD2 4.4Å; L111-F152 HydrophobicContact CD2-CB 4.3Å; L111-F152 HydrophobicContact CD2-CD1 4.29Å; L111-L155 HydrophobicContact CD1-CB 3.6Å; L111-L155 HydrophobicContact CD1-CD1 4.47Å; L111-L155 HydrophobicContact CD2-CB 3.85Å; L111-L155 HydrophobicContact CD2-CD1 4.13Å; L111-L155 HydrophobicContact CG-CB 4.37Å; L111-A156 HydrophobicContact CB-CB 3.99Å
112A94Very high93.3Very high37 Ų3747.7 Ų47.731%0.30626%0.255SS..  trans-134.263.3-171.900000109.8N65 F110 E159N65-A112 HydrophobicContact CB-CB 4.35Å; N65-A112 WeakPolarHBondContact OD1-CA 3.46Å; F110-A112 HydrophobicContact CB-CB 4.39Å; A112-E159 PolarHBondContact N-OE2 3.25Å; A112-E159 VanDerWaalsContact N-OE2 3.11Å
113P92.2Very high93.3Very high14 Ų1447.6 Ų47.69%0.09126%0.255CS..PPolyproline II helixtrans-63.1153.6-174.829.2-36.6000111.5N115 E119 Y120 L123P113-N115 PolarHBondContact O-N 3.07Å; P113-E119 HydrophobicContact CB-CB 3.69Å; P113-E119 HydrophobicContact CG-CB 4.07Å; P113-Y120 HydrophobicContact CG-CD2 4.43Å; P113-L123 HydrophobicContact CG-CD1 3.56Å
114V91.6Very high93.4Very high119 Ų11953.3 Ų53.372%0.72128%0.276SS*.PPolyproline II helixtrans-53.9134.5178.5179.90000110.3H116 S117 Y120V114-H116 PolarHBondContact O-N 3.33Å; V114-S117 WeakPolarHBondContact O-CB 3.35Å; V114-S117 PolarHBondContact O-N 3.41Å; V114-S117 PolarHBondContact O-OG 2.9Å; V114-Y120 WeakPolarHBondContact O-CB 3.47Å
115N90.8Very high93.5Very high105 Ų10559.1 Ų59.156%0.56130%0.303SS*.THydrogen-bonded Turntrans-48133.8178.4-71.7-14000111.5P113 S117P113-N115 PolarHBondContact O-N 3.07Å; N115-S117 PolarHBondContact O-N 3.34Å
116H89.8Confident93.7Very high145 Ų14559.6 Ų59.667%0.67131%0.305SS*.THydrogen-bonded Turntrans66.15.2-179.3-48.9-70.7000116.5V114 N121V114-H116 PolarHBondContact O-N 3.33Å; H116-N121 PolarHBondContact O-ND2 3.13Å
117S94Very high93.8Very high30 Ų3058 Ų5821%0.2130%0.295CS..SBendtrans-62.7165.4166.563.90000112.1V114 N115 E119 Y120 N121V114-S117 WeakPolarHBondContact O-CB 3.35Å; V114-S117 PolarHBondContact O-N 3.41Å; V114-S117 PolarHBondContact O-OG 2.9Å; N115-S117 PolarHBondContact O-N 3.34Å; S117-E119 VanDerWaalsContact C-N 3.31Å; S117-E119 PolarHBondContact O-N 3.5Å; S117-Y120 PolarHBondContact O-N 3.28Å; S117-Y120 VanDerWaalsContact OG-CB 3.3Å; S117-Y120 WeakPolarHBondContact OG-CB 3.24Å; S117-Y120 PolarHBondContact OG-N 3.24Å; S117-Y120 VanDerWaalsContact OG-N 3.14Å; S117-N121 VanDerWaalsContact O-CG 3.3Å; S117-N121 PolarHBondContact O-N 2.95Å; S117-N121 PolarHBondContact O-ND2 3.31Å; S117-N121 VanDerWaalsContact O-ND2 3.14Å
118V95Very high93.7Very high117 Ų11759 Ų5971%0.70930%0.304SS*.Hα-helixtrans-58.5-45.4176.2177.20000110.5N121 W122V118-N121 PolarHBondContact O-N 3.12Å; V118-W122 WeakPolarHBondContact O-CB 3.46Å; V118-W122 PolarHBondContact O-N 3.32Å
119E93.4Very high93.5Very high72 Ų7262.1 Ų62.134%0.33632%0.316SS..Hα-helixtrans-62.4-41.9177-7079.6-179.800112.4P113 S117 W122 L123 R158P113-E119 HydrophobicContact CB-CB 3.69Å; P113-E119 HydrophobicContact CG-CB 4.07Å; S117-E119 VanDerWaalsContact C-N 3.31Å; S117-E119 PolarHBondContact O-N 3.5Å; E119-W122 PolarHBondContact O-N 2.96Å; E119-L123 WeakPolarHBondContact O-CG 3.48Å; E119-L123 PolarHBondContact O-N 3.12Å; E119-R158 IonicContact OE1-NH2 3.42Å; E119-R158 PolarHBondContact OE1-NH2 2.88Å
120Y94Very high93.4Very high33 Ų3362.1 Ų62.113%0.12932%0.316CS..Hα-helixtrans-63.1-46.4176.9177.6-95.1000112P113 V114 S117 W122 L123 R124P113-Y120 HydrophobicContact CG-CD2 4.43Å; V114-Y120 WeakPolarHBondContact O-CB 3.47Å; S117-Y120 PolarHBondContact O-N 3.28Å; S117-Y120 VanDerWaalsContact OG-CB 3.3Å; S117-Y120 WeakPolarHBondContact OG-CB 3.24Å; S117-Y120 PolarHBondContact OG-N 3.24Å; S117-Y120 VanDerWaalsContact OG-N 3.14Å; Y120-W122 VanDerWaalsContact C-N 3.33Å; Y120-W122 PolarHBondContact O-N 3.49Å; Y120-L123 PolarHBondContact O-N 3.02Å; Y120-R124 HydrophobicContact CD1-CG 4.47Å; Y120-R124 HydrophobicContact CE1-CG 4.12Å; Y120-R124 WeakPolarHBondContact O-CG 3.39Å; Y120-R124 PolarHBondContact O-N 3.3Å; Y120-R124 VanDerWaalsContact O-N 3.08Å
121N94.5Very high93.1Very high69 Ų6960.8 Ų60.837%0.36931%0.311SS..Hα-helixtrans-64.6-41177.6-64.9-32.7000110.9H116 S117 V118 L123 R124 E125H116-N121 PolarHBondContact O-ND2 3.13Å; S117-N121 VanDerWaalsContact O-CG 3.3Å; S117-N121 PolarHBondContact O-N 2.95Å; S117-N121 PolarHBondContact O-ND2 3.31Å; S117-N121 VanDerWaalsContact O-ND2 3.14Å; V118-N121 PolarHBondContact O-N 3.12Å; N121-L123 PolarHBondContact O-N 3.39Å; N121-R124 PolarHBondContact O-N 3.46Å; N121-E125 WeakPolarHBondContact O-CG 3.42Å; N121-E125 PolarHBondContact O-N 2.87Å
122W95.1Very high92.9Very high84 Ų8467.3 Ų67.332%0.31834%0.341SS..Hα-helixtrans-59.2-46.2175176.579000112V118 E119 Y120 R124 E125 T126 I148 T151 F152 L155V118-W122 WeakPolarHBondContact O-CB 3.46Å; V118-W122 PolarHBondContact O-N 3.32Å; E119-W122 PolarHBondContact O-N 2.96Å; Y120-W122 VanDerWaalsContact C-N 3.33Å; Y120-W122 PolarHBondContact O-N 3.49Å; W122-R124 PolarHBondContact O-N 2.94Å; W122-E125 PolarHBondContact O-N 3.35Å; W122-T126 VanDerWaalsContact CE2-OG1 3.27Å; W122-T126 HydrophobicContact CH2-CG2 4.22Å; W122-T126 HydrophobicContact CZ2-CG2 3.86Å; W122-T126 PolarHBondContact NE1-OG1 3.2Å; W122-T126 WeakPolarHBondContact O-CB 3.39Å; W122-T126 PolarHBondContact O-N 2.97Å; W122-T126 PolarHBondContact O-OG1 3Å; W122-I148 HydrophobicContact CH2-CG2 4.46Å; W122-T151 HydrophobicContact CH2-CG2 3.45Å; W122-T151 VanDerWaalsContact CH2-CG2 3.45Å; W122-T151 HydrophobicContact CZ2-CG2 3.82Å; W122-T151 HydrophobicContact CZ3-CG2 4.15Å; W122-F152 AromaticContact CH2-CD1 3.55Å; W122-F152 HydrophobicContact CH2-CD1 3.55Å; W122-F152 AromaticContact CH2-CE1 3.45Å; W122-F152 HydrophobicContact CH2-CE1 3.45Å; W122-F152 VanDerWaalsContact CH2-CE1 3.45Å; W122-F152 HydrophobicContact CZ2-CE1 4.43Å; W122-F152 AromaticContact CZ3-CD1 3.63Å; W122-F152 HydrophobicContact CZ3-CD1 3.63Å; W122-F152 AromaticContact CZ3-CE1 3.6Å; W122-F152 HydrophobicContact CZ3-CE1 3.6Å; W122-L155 HydrophobicContact CE3-CD1 4.03Å; W122-L155 HydrophobicContact CH2-CD1 4.31Å; W122-L155 HydrophobicContact CZ3-CD1 3.59Å
123L94.7Very high92.7Very high0 Ų066.2 Ų66.20%033%0.329CS..Hα-helixtrans-60.9-43.8177.5-76.9172.7000112.9V66 L111 P113 E119 Y120 N121 E125 T126 I127 F152V66-L123 HydrophobicContact CG2-CD2 4.02Å; L111-L123 HydrophobicContact CD1-CD1 4.32Å; L111-L123 HydrophobicContact CD2-CD1 3.88Å; L111-L123 HydrophobicContact CD2-CD2 3.7Å; L111-L123 HydrophobicContact CD2-CG 4.29Å; L111-L123 HydrophobicContact CG-CD1 3.65Å; L111-L123 HydrophobicContact CG-CD2 4.4Å; P113-L123 HydrophobicContact CG-CD1 3.56Å; E119-L123 WeakPolarHBondContact O-CG 3.48Å; E119-L123 PolarHBondContact O-N 3.12Å; Y120-L123 PolarHBondContact O-N 3.02Å; N121-L123 PolarHBondContact O-N 3.39Å; L123-E125 VanDerWaalsContact C-N 3.26Å; L123-E125 PolarHBondContact O-N 2.83Å; L123-T126 PolarHBondContact O-N 3.32Å; L123-I127 WeakPolarHBondContact O-CG1 3.24Å; L123-I127 PolarHBondContact O-N 3.25Å; L123-I127 VanDerWaalsContact O-N 3.09Å; L123-F152 HydrophobicContact CD2-CD1 3.73Å; L123-F152 HydrophobicContact CD2-CE1 3.51Å; L123-F152 HydrophobicContact CD2-CZ 4.38Å
124R92.4Very high92.5Very high123 Ų12367.2 Ų67.246%0.46434%0.337SS..Hα-helixtrans-61.1-34.1-179.1-78.2-168.465.4-135.4-2.3113.5Y120 N121 W122 P128Y120-R124 HydrophobicContact CD1-CG 4.47Å; Y120-R124 HydrophobicContact CE1-CG 4.12Å; Y120-R124 WeakPolarHBondContact O-CG 3.39Å; Y120-R124 PolarHBondContact O-N 3.3Å; Y120-R124 VanDerWaalsContact O-N 3.08Å; N121-R124 PolarHBondContact O-N 3.46Å; W122-R124 PolarHBondContact O-N 2.94Å; R124-P128 WeakPolarHBondContact O-CD 3.42Å; R124-P128 WeakPolarHBondContact O-CG 3.14Å
125E93.3Very high92.3Very high131 Ų13170 Ų7061%0.61234%0.335SS*.Hα-helixtrans-86.2-34.5176.8-59.8-52.5135.500112.1N121 W122 L123 P128 F129N121-E125 WeakPolarHBondContact O-CG 3.42Å; N121-E125 PolarHBondContact O-N 2.87Å; W122-E125 PolarHBondContact O-N 3.35Å; L123-E125 VanDerWaalsContact C-N 3.26Å; L123-E125 PolarHBondContact O-N 2.83Å; E125-P128 WeakPolarHBondContact O-CD 3.48Å; E125-F129 WeakPolarHBondContact O-CB 3.4Å; E125-F129 PolarHBondContact O-N 2.82Å; E125-F129 VanDerWaalsContact O-N 3.15Å
126T94.7Very high92.1Very high13 Ų1367.4 Ų67.48%0.0832%0.324CS..Hα-helixtrans-72.5-36-173.9-62.70000112.9W122 L123 F129 L130 I148 F152W122-T126 VanDerWaalsContact CE2-OG1 3.27Å; W122-T126 HydrophobicContact CH2-CG2 4.22Å; W122-T126 HydrophobicContact CZ2-CG2 3.86Å; W122-T126 PolarHBondContact NE1-OG1 3.2Å; W122-T126 WeakPolarHBondContact O-CB 3.39Å; W122-T126 PolarHBondContact O-N 2.97Å; W122-T126 PolarHBondContact O-OG1 3Å; L123-T126 PolarHBondContact O-N 3.32Å; T126-F129 WeakPolarHBondContact O-CB 3.23Å; T126-F129 PolarHBondContact O-N 3.1Å; T126-L130 WeakPolarHBondContact O-CB 3.32Å; T126-L130 PolarHBondContact O-N 2.95Å; T126-I148 HydrophobicContact CG2-CB 4.39Å; T126-I148 HydrophobicContact CG2-CD1 4.09Å; T126-I148 HydrophobicContact CG2-CG1 4.25Å; T126-I148 HydrophobicContact CG2-CG2 3.27Å; T126-F152 HydrophobicContact CG2-CE1 3.96Å; T126-F152 HydrophobicContact CG2-CZ 3.99Å
127I93.7Very high91.8Very high4 Ų464 Ų642%0.02132%0.322CS..Hα-helixtrans-64.7-51.7178.6-64.7157.1000111A43 T45 V66 V88 L123 F129 L130 Q131 F152A43-I127 HydrophobicContact CB-CD1 3.71Å; A43-I127 HydrophobicContact CB-CG1 4.19Å; A43-I127 HydrophobicContact CB-CG2 4.34Å; T45-I127 HydrophobicContact CG2-CB 4.5Å; T45-I127 HydrophobicContact CG2-CG2 3.51Å; V66-I127 HydrophobicContact CG2-CD1 4.04Å; V88-I127 HydrophobicContact CB-CG2 4.31Å; V88-I127 HydrophobicContact CG2-CG2 3.85Å; L123-I127 WeakPolarHBondContact O-CG1 3.24Å; L123-I127 PolarHBondContact O-N 3.25Å; L123-I127 VanDerWaalsContact O-N 3.09Å; I127-F129 VanDerWaalsContact C-N 3.3Å; I127-F129 PolarHBondContact O-N 3.13Å; I127-L130 WeakPolarHBondContact O-CB 3.47Å; I127-L130 PolarHBondContact O-N 3.48Å; I127-Q131 WeakPolarHBondContact O-CG 3.43Å; I127-Q131 PolarHBondContact O-N 3.05Å; I127-F152 HydrophobicContact CG1-CZ 4.19Å
128P91.6Very high91.7Very high57 Ų5767.7 Ų67.737%0.3734%0.337SS..Hα-helixtrans-58.8-38.5173.2-25.635000113.5R124 E125 L130 Q131 Q132R124-P128 WeakPolarHBondContact O-CD 3.42Å; R124-P128 WeakPolarHBondContact O-CG 3.14Å; E125-P128 WeakPolarHBondContact O-CD 3.48Å; P128-L130 PolarHBondContact O-N 3.13Å; P128-Q131 WeakPolarHBondContact O-CB 3.48Å; P128-Q131 PolarHBondContact O-N 3.42Å; P128-Q132 PolarHBondContact O-N 3.12Å
129F92.5Very high91.7Very high89 Ų8968.6 Ų68.639%0.3935%0.345SS..Hα-helixtrans-57.2-49.4174.2172.7-97.7000111.4E125 T126 I127 Q131 Q132 E133 L144 I148E125-F129 WeakPolarHBondContact O-CB 3.4Å; E125-F129 PolarHBondContact O-N 2.82Å; E125-F129 VanDerWaalsContact O-N 3.15Å; T126-F129 WeakPolarHBondContact O-CB 3.23Å; T126-F129 PolarHBondContact O-N 3.1Å; I127-F129 VanDerWaalsContact C-N 3.3Å; I127-F129 PolarHBondContact O-N 3.13Å; F129-Q131 VanDerWaalsContact C-N 3.33Å; F129-Q131 PolarHBondContact O-N 3.37Å; F129-Q132 PolarHBondContact O-N 3.22Å; F129-Q132 VanDerWaalsContact O-N 3.14Å; F129-E133 WeakPolarHBondContact O-CB 3.34Å; F129-E133 PolarHBondContact O-N 3.43Å; F129-L144 HydrophobicContact CZ-CD1 4.3Å; F129-I148 HydrophobicContact CD1-CD1 3.8Å; F129-I148 HydrophobicContact CE1-CD1 3.75Å
130L91.9Very high91.6Very high1 Ų167.2 Ų67.21%0.00535%0.35CS..Hα-helixtrans-57.2-43.1174.3-89.7-170.1000112.5I17 W41 T126 I127 P128 Q132 E133 S134 C145 I148 F152I17-L130 HydrophobicContact CD1-CB 3.49Å; I17-L130 VanDerWaalsContact CD1-CB 3.49Å; I17-L130 HydrophobicContact CD1-CD1 4.32Å; I17-L130 HydrophobicContact CD1-CD2 4.07Å; I17-L130 HydrophobicContact CD1-CG 4.15Å; I17-L130 WeakPolarHBondContact CD1-O 3.46Å; W41-L130 HydrophobicContact CH2-CD1 4.48Å; T126-L130 WeakPolarHBondContact O-CB 3.32Å; T126-L130 PolarHBondContact O-N 2.95Å; I127-L130 WeakPolarHBondContact O-CB 3.47Å; I127-L130 PolarHBondContact O-N 3.48Å; P128-L130 PolarHBondContact O-N 3.13Å; L130-Q132 VanDerWaalsContact C-N 3.32Å; L130-Q132 PolarHBondContact O-N 3.05Å; L130-E133 PolarHBondContact O-N 2.86Å; L130-S134 PolarHBondContact O-N 3.25Å; L130-S134 PolarHBondContact O-OG 2.99Å; L130-C145 HydrophobicContact CD2-CB 4.39Å; L130-I148 HydrophobicContact CD1-CB 4.25Å; L130-I148 HydrophobicContact CD1-CG2 3.5Å; L130-I148 HydrophobicContact CD2-CB 4.04Å; L130-I148 HydrophobicContact CD2-CD1 3.6Å; L130-I148 HydrophobicContact CD2-CG1 4.4Å; L130-I148 HydrophobicContact CD2-CG2 4.12Å; L130-I148 HydrophobicContact CG-CB 4.34Å; L130-I148 HydrophobicContact CG-CD1 4Å; L130-I148 HydrophobicContact CG-CG2 3.87Å; L130-F152 HydrophobicContact CD1-CE2 3.76Å; L130-F152 HydrophobicContact CD1-CZ 3.85Å
131Q91Very high91.6Very high29 Ų2967.7 Ų67.714%0.13635%0.354CS..Hα-helixtrans-62.5-37.7175.7-63.9-174.9-7700112.8N20 V88 I127 P128 F129 S134 R135N20-Q131 VanDerWaalsContact OD1-CG 3.32Å; N20-Q131 WeakPolarHBondContact OD1-CG 3.31Å; N20-Q131 PolarHBondContact OD1-NE2 3.1Å; V88-Q131 HydrophobicContact CG1-CG 4.17Å; V88-Q131 HydrophobicContact CG2-CG 3.56Å; I127-Q131 WeakPolarHBondContact O-CG 3.43Å; I127-Q131 PolarHBondContact O-N 3.05Å; P128-Q131 WeakPolarHBondContact O-CB 3.48Å; P128-Q131 PolarHBondContact O-N 3.42Å; F129-Q131 VanDerWaalsContact C-N 3.33Å; F129-Q131 PolarHBondContact O-N 3.37Å; Q131-S134 PolarHBondContact O-OG 3.23Å; Q131-R135 WeakPolarHBondContact O-CD 3.32Å; Q131-R135 VanDerWaalsContact O-CG 3.27Å; Q131-R135 WeakPolarHBondContact O-CG 3.5Å
132Q90.5Very high91.4Very high141 Ų14169.6 Ų69.666%0.65937%0.365SS*.Hα-helixtrans-70.9-42.9176.2-179.5175.4-17.600111.3P128 F129 L130 S134 R135 S136P128-Q132 PolarHBondContact O-N 3.12Å; F129-Q132 PolarHBondContact O-N 3.22Å; F129-Q132 VanDerWaalsContact O-N 3.14Å; L130-Q132 VanDerWaalsContact C-N 3.32Å; L130-Q132 PolarHBondContact O-N 3.05Å; Q132-S134 PolarHBondContact O-N 3.49Å; Q132-R135 PolarHBondContact O-N 3.3Å; Q132-R135 VanDerWaalsContact O-N 3.07Å; Q132-S136 PolarHBondContact O-N 3.48Å
133E90.6Very high91.3Very high14 Ų1468.2 Ų68.27%0.06537%0.371CS..Hα-helixtrans-62.8-43-179-166.457.9-163.900111.4F129 L130 R135 S136 A137 M141 L144F129-E133 WeakPolarHBondContact O-CB 3.34Å; F129-E133 PolarHBondContact O-N 3.43Å; L130-E133 PolarHBondContact O-N 2.86Å; E133-R135 PolarHBondContact O-N 3.43Å; E133-S136 PolarHBondContact O-N 2.92Å; E133-S136 PolarHBondContact O-OG 3.48Å; E133-A137 PolarHBondContact O-N 3.43Å; E133-M141 HydrophobicContact CG-CB 4.38Å; E133-M141 HydrophobicContact CG-CG 4.1Å; E133-L144 HydrophobicContact CG-CD1 4.15Å; E133-L144 WeakPolarHBondContact OE1-CD1 3.23Å
134S87.3Confident91.2Very high36 Ų3671.1 Ų71.125%0.25239%0.386SS..Hα-helixtrans-64-21.1173.952.50000114.7L130 Q131 Q132L130-S134 PolarHBondContact O-N 3.25Å; L130-S134 PolarHBondContact O-OG 2.99Å; Q131-S134 PolarHBondContact O-OG 3.23Å; Q132-S134 PolarHBondContact O-N 3.49Å
135R88.2Confident91.2Very high178 Ų17865.4 Ų65.467%0.67237%0.365SS*.Hα-helixtrans-89.9-29.9176.7-68.9170.4-174.7179.62.1112.9Q131 Q132 E133Q131-R135 WeakPolarHBondContact O-CD 3.32Å; Q131-R135 VanDerWaalsContact O-CG 3.27Å; Q131-R135 WeakPolarHBondContact O-CG 3.5Å; Q132-R135 PolarHBondContact O-N 3.3Å; Q132-R135 VanDerWaalsContact O-N 3.07Å; E133-R135 PolarHBondContact O-N 3.43Å
136S86.9Confident91.3Very high49 Ų4960.2 Ų60.234%0.34334%0.343SS..Hα-helixtrans-77.1-26.3-175.572.80000112.5Q132 E133 M138Q132-S136 PolarHBondContact O-N 3.48Å; E133-S136 PolarHBondContact O-N 2.92Å; E133-S136 PolarHBondContact O-OG 3.48Å; S136-M138 PolarHBondContact O-N 3.01Å; S136-M138 VanDerWaalsContact O-N 3.13Å
137A83.1Confident91.2Very high75 Ų7565.5 Ų65.562%0.6237%0.367SS*.  trans50.633.1-179.500000113.7E133E133-A137 PolarHBondContact O-N 3.43Å
138M91.3Very high91.3Very high106 Ų10666.3 Ų66.352%0.52237%0.371SS..  trans-74155.1179.4-68.3-170.5-63.400112S136 G140 M141S136-M138 PolarHBondContact O-N 3.01Å; S136-M138 VanDerWaalsContact O-N 3.13Å; M138-G140 PolarHBondContact O-N 3.19Å; M138-M141 VanDerWaalsContact O-CB 3.31Å; M138-M141 WeakPolarHBondContact O-CB 3.41Å; M138-M141 PolarHBondContact O-N 3.49Å; M138-M141 VanDerWaalsContact O-N 3.15Å
139P94.6Very high91.5Very high137 Ų13763.7 Ų63.789%0.8935%0.354SS*.THydrogen-bonded Turntrans-54.8128.4172.8-24.834.3000111.7
140G92.5Very high91.6Very high43 Ų4360.3 Ų60.344%0.44334%0.342SS..THydrogen-bonded Turntrans99.7-7.7-177.700000115.1M138 D142 A143 L144M138-G140 PolarHBondContact O-N 3.19Å; G140-D142 VanDerWaalsContact C-N 3.35Å; G140-D142 PolarHBondContact O-N 2.91Å; G140-A143 WeakPolarHBondContact O-CB 3.47Å; G140-A143 PolarHBondContact O-N 3.32Å; G140-L144 PolarHBondContact O-N 3.36Å; G140-L144 VanDerWaalsContact O-N 3.07Å
141M92.3Very high91.7Very high43 Ų4363 Ų6321%0.21236%0.359CS..Hα-helixtrans-47.9-51.3177.6176-169.875.800112.9E133 M138 A143 L144 C145E133-M141 HydrophobicContact CG-CB 4.38Å; E133-M141 HydrophobicContact CG-CG 4.1Å; M138-M141 VanDerWaalsContact O-CB 3.31Å; M138-M141 WeakPolarHBondContact O-CB 3.41Å; M138-M141 PolarHBondContact O-N 3.49Å; M138-M141 VanDerWaalsContact O-N 3.15Å; M141-A143 VanDerWaalsContact C-N 3.3Å; M141-A143 PolarHBondContact O-N 3.28Å; M141-L144 PolarHBondContact O-N 3.07Å; M141-C145 WeakPolarHBondContact O-CB 3.3Å; M141-C145 PolarHBondContact O-N 3.15Å; M141-C145 PolarHBondContact O-SG 3.42Å
142D91.5Very high91.9Very high109 Ų10961.6 Ų61.658%0.58335%0.352SS*.Hα-helixtrans-63.7-35.3-177.6-64.7-32000112.6G140 S146G140-D142 VanDerWaalsContact C-N 3.35Å; G140-D142 PolarHBondContact O-N 2.91Å; D142-S146 VanDerWaalsContact O-CB 3.23Å; D142-S146 WeakPolarHBondContact O-CB 3.5Å; D142-S146 PolarHBondContact O-N 3.39Å; D142-S146 PolarHBondContact O-OG 2.89Å
143A92.6Very high92.2Very high55 Ų5555 Ų5546%0.45532%0.322SS..Hα-helixtrans-68.2-44.5177.900000110.9G140 M141 S146 Q147G140-A143 WeakPolarHBondContact O-CB 3.47Å; G140-A143 PolarHBondContact O-N 3.32Å; M141-A143 VanDerWaalsContact C-N 3.3Å; M141-A143 PolarHBondContact O-N 3.28Å; A143-S146 PolarHBondContact O-N 3.08Å; A143-Q147 WeakPolarHBondContact O-CB 3.49Å; A143-Q147 VanDerWaalsContact O-CG 3.23Å; A143-Q147 WeakPolarHBondContact O-CG 3.46Å; A143-Q147 PolarHBondContact O-N 3.46Å
144L93.2Very high92.4Very high60 Ų6056.8 Ų56.831%0.31433%0.334SS..Hα-helixtrans-62.8-47.9175.7-70.5171.6000111.4F129 E133 G140 M141 S146 Q147 I148F129-L144 HydrophobicContact CZ-CD1 4.3Å; E133-L144 HydrophobicContact CG-CD1 4.15Å; E133-L144 WeakPolarHBondContact OE1-CD1 3.23Å; G140-L144 PolarHBondContact O-N 3.36Å; G140-L144 VanDerWaalsContact O-N 3.07Å; M141-L144 PolarHBondContact O-N 3.07Å; L144-S146 VanDerWaalsContact C-N 3.32Å; L144-S146 PolarHBondContact O-N 3.14Å; L144-Q147 PolarHBondContact O-N 3.17Å; L144-I148 WeakPolarHBondContact O-CB 2.94Å; L144-I148 WeakPolarHBondContact O-CG1 3.1Å; L144-I148 PolarHBondContact O-N 3.01Å
145C93Very high92.7Very high4 Ų456 Ų563%0.02733%0.326CS..Hα-helixtrans-58.3-45.3177.2-68.80000111.4L130 M141 C149L130-C145 HydrophobicContact CD2-CB 4.39Å; M141-C145 WeakPolarHBondContact O-CB 3.3Å; M141-C145 PolarHBondContact O-N 3.15Å; M141-C145 PolarHBondContact O-SG 3.42Å; C145-C149 VanDerWaalsContact O-CB 3.31Å; C145-C149 WeakPolarHBondContact O-CB 3.45Å; C145-C149 PolarHBondContact O-N 3Å; C145-C149 PolarHBondContact O-SG 2.78Å
146S93.9Very high93Very high21 Ų2147.5 Ų47.515%0.14729%0.294CS..Hα-helixtrans-62.1-47.4178.5-62.50000112.6G15 D142 A143 L144 A150G15-S146 PolarHBondContact N-OG 2.63Å; D142-S146 VanDerWaalsContact O-CB 3.23Å; D142-S146 WeakPolarHBondContact O-CB 3.5Å; D142-S146 PolarHBondContact O-N 3.39Å; D142-S146 PolarHBondContact O-OG 2.89Å; A143-S146 PolarHBondContact O-N 3.08Å; L144-S146 VanDerWaalsContact C-N 3.32Å; L144-S146 PolarHBondContact O-N 3.14Å; S146-A150 WeakPolarHBondContact O-CB 3.25Å; S146-A150 PolarHBondContact O-N 3.39Å
147Q93.8Very high93.3Very high125 Ų12545.1 Ų45.158%0.58428%0.278SS*.Hα-helixtrans-64.6-41.5-179.5-73170.4-9.100112.2A143 L144 T151A143-Q147 WeakPolarHBondContact O-CB 3.49Å; A143-Q147 VanDerWaalsContact O-CG 3.23Å; A143-Q147 WeakPolarHBondContact O-CG 3.46Å; A143-Q147 PolarHBondContact O-N 3.46Å; L144-Q147 PolarHBondContact O-N 3.17Å; Q147-T151 PolarHBondContact O-N 2.91Å; Q147-T151 PolarHBondContact O-OG1 3.25Å
148I94.7Very high93.6Very high21 Ų2147.7 Ų47.711%0.10827%0.272CS..Hα-helixtrans-70.2-46.5179-68167.6000111W122 T126 F129 L130 L144 A150 T151 F152W122-I148 HydrophobicContact CH2-CG2 4.46Å; T126-I148 HydrophobicContact CG2-CB 4.39Å; T126-I148 HydrophobicContact CG2-CD1 4.09Å; T126-I148 HydrophobicContact CG2-CG1 4.25Å; T126-I148 HydrophobicContact CG2-CG2 3.27Å; F129-I148 HydrophobicContact CD1-CD1 3.8Å; F129-I148 HydrophobicContact CE1-CD1 3.75Å; L130-I148 HydrophobicContact CD1-CB 4.25Å; L130-I148 HydrophobicContact CD1-CG2 3.5Å; L130-I148 HydrophobicContact CD2-CB 4.04Å; L130-I148 HydrophobicContact CD2-CD1 3.6Å; L130-I148 HydrophobicContact CD2-CG1 4.4Å; L130-I148 HydrophobicContact CD2-CG2 4.12Å; L130-I148 HydrophobicContact CG-CB 4.34Å; L130-I148 HydrophobicContact CG-CD1 4Å; L130-I148 HydrophobicContact CG-CG2 3.87Å; L144-I148 WeakPolarHBondContact O-CB 2.94Å; L144-I148 WeakPolarHBondContact O-CG1 3.1Å; L144-I148 PolarHBondContact O-N 3.01Å; I148-A150 VanDerWaalsContact C-N 3.29Å; I148-A150 PolarHBondContact O-N 3.27Å; I148-T151 CarbonylContact O-C 3.58Å; I148-T151 WeakPolarHBondContact O-CA 3.39Å; I148-T151 VanDerWaalsContact O-CB 3.3Å; I148-T151 WeakPolarHBondContact O-CB 3.19Å; I148-T151 PolarHBondContact O-N 3.32Å; I148-F152 HydrophobicContact CG2-CD1 4.34Å; I148-F152 HydrophobicContact CG2-CE1 3.69Å; I148-F152 HydrophobicContact CG2-CE2 4.04Å; I148-F152 HydrophobicContact CG2-CZ 3.53Å; I148-F152 PolarHBondContact O-N 2.95Å
149C95.2Very high93.6Very high1 Ų144.5 Ų44.51%0.00726%0.255CS..Hα-helixtrans-61.6-39177.4-67.10000111.6L92 C145 T151 F152 F153L92-C149 HydrophobicContact CD1-CB 3.68Å; C145-C149 VanDerWaalsContact O-CB 3.31Å; C145-C149 WeakPolarHBondContact O-CB 3.45Å; C145-C149 PolarHBondContact O-N 3Å; C145-C149 PolarHBondContact O-SG 2.78Å; C149-T151 VanDerWaalsContact C-N 3.28Å; C149-T151 PolarHBondContact O-N 3.4Å; C149-F152 WeakPolarHBondContact O-CB 3.4Å; C149-F152 PolarHBondContact O-N 3.17Å; C149-F153 PolarHBondContact O-N 3.21Å; C149-F153 VanDerWaalsContact O-N 3.09Å
150A95Very high93.3Very high18 Ų1839.9 Ų39.915%0.14922%0.22CC..Hα-helixtrans-63.1-35.3172.900000112.2P13 S146 I148 F153 T154P13-A150 HydrophobicContact CB-CB 4.19Å; P13-A150 HydrophobicContact CG-CB 3.57Å; S146-A150 WeakPolarHBondContact O-CB 3.25Å; S146-A150 PolarHBondContact O-N 3.39Å; I148-A150 VanDerWaalsContact C-N 3.29Å; I148-A150 PolarHBondContact O-N 3.27Å; A150-F153 PolarHBondContact O-N 2.47Å; A150-T154 WeakPolarHBondContact O-CB 3.36Å; A150-T154 PolarHBondContact O-N 3.48Å; A150-T154 PolarHBondContact O-OG1 2.9Å
151T94.9Very high93.1Very high57 Ų5741.1 Ų41.135%0.3522%0.216SC..Hα-helixtrans-66.6-44.6173.9-56.80000111.2W122 Q147 I148 C149 F153 T154 L155W122-T151 HydrophobicContact CH2-CG2 3.45Å; W122-T151 VanDerWaalsContact CH2-CG2 3.45Å; W122-T151 HydrophobicContact CZ2-CG2 3.82Å; W122-T151 HydrophobicContact CZ3-CG2 4.15Å; Q147-T151 PolarHBondContact O-N 2.91Å; Q147-T151 PolarHBondContact O-OG1 3.25Å; I148-T151 CarbonylContact O-C 3.58Å; I148-T151 WeakPolarHBondContact O-CA 3.39Å; I148-T151 VanDerWaalsContact O-CB 3.3Å; I148-T151 WeakPolarHBondContact O-CB 3.19Å; I148-T151 PolarHBondContact O-N 3.32Å; C149-T151 VanDerWaalsContact C-N 3.28Å; C149-T151 PolarHBondContact O-N 3.4Å; T151-F153 VanDerWaalsContact C-N 3.31Å; T151-F153 PolarHBondContact O-N 2.81Å; T151-T154 PolarHBondContact O-N 3.03Å; T151-L155 HydrophobicContact CG2-CD1 3.93Å; T151-L155 HydrophobicContact CG2-CG 4.19Å; T151-L155 WeakPolarHBondContact O-CB 3.37Å; T151-L155 VanDerWaalsContact O-CG 3.28Å; T151-L155 WeakPolarHBondContact O-CG 3.3Å; T151-L155 PolarHBondContact O-N 3.41Å
152F95.6Very high92.7Very high0 Ų042.4 Ų42.40%023%0.233CC..Hα-helixtrans-53.9-49.3173.9-64.1-18.5000111.4W41 V66 L68 L111 W122 L123 T126 I127 L130 I148 C149 L155 A156W41-F152 HydrophobicContact CH2-CE2 4.38Å; W41-F152 HydrophobicContact CZ3-CE2 4.41Å; V66-F152 HydrophobicContact CG1-CD2 4.43Å; L68-F152 HydrophobicContact CD2-CB 4.37Å; L111-F152 HydrophobicContact CD2-CB 4.3Å; L111-F152 HydrophobicContact CD2-CD1 4.29Å; W122-F152 AromaticContact CH2-CD1 3.55Å; W122-F152 HydrophobicContact CH2-CD1 3.55Å; W122-F152 AromaticContact CH2-CE1 3.45Å; W122-F152 HydrophobicContact CH2-CE1 3.45Å; W122-F152 VanDerWaalsContact CH2-CE1 3.45Å; W122-F152 HydrophobicContact CZ2-CE1 4.43Å; W122-F152 AromaticContact CZ3-CD1 3.63Å; W122-F152 HydrophobicContact CZ3-CD1 3.63Å; W122-F152 AromaticContact CZ3-CE1 3.6Å; W122-F152 HydrophobicContact CZ3-CE1 3.6Å; L123-F152 HydrophobicContact CD2-CD1 3.73Å; L123-F152 HydrophobicContact CD2-CE1 3.51Å; L123-F152 HydrophobicContact CD2-CZ 4.38Å; T126-F152 HydrophobicContact CG2-CE1 3.96Å; T126-F152 HydrophobicContact CG2-CZ 3.99Å; I127-F152 HydrophobicContact CG1-CZ 4.19Å; L130-F152 HydrophobicContact CD1-CE2 3.76Å; L130-F152 HydrophobicContact CD1-CZ 3.85Å; I148-F152 HydrophobicContact CG2-CD1 4.34Å; I148-F152 HydrophobicContact CG2-CE1 3.69Å; I148-F152 HydrophobicContact CG2-CE2 4.04Å; I148-F152 HydrophobicContact CG2-CZ 3.53Å; I148-F152 PolarHBondContact O-N 2.95Å; C149-F152 WeakPolarHBondContact O-CB 3.4Å; C149-F152 PolarHBondContact O-N 3.17Å; F152-L155 PolarHBondContact O-N 3.26Å; F152-A156 WeakPolarHBondContact O-CB 3.3Å; F152-A156 PolarHBondContact O-N 3.18Å
153F95.7Very high92.3Very high3 Ų343.7 Ų43.71%0.01324%0.235CC..Hα-helixtrans-64.1-44.1179.8178.8-124.8000112.6L8 I39 L68 L92 F101 L102 L105 L109 C149 A150 T151 L155 A156 V157L8-F153 HydrophobicContact CD2-CD1 3.67Å; L8-F153 HydrophobicContact CD2-CE1 3.36Å; L8-F153 HydrophobicContact CD2-CZ 4.36Å; I39-F153 HydrophobicContact CD1-CD1 3.91Å; I39-F153 HydrophobicContact CD1-CD2 3.46Å; I39-F153 VanDerWaalsContact CD1-CD2 3.46Å; I39-F153 HydrophobicContact CD1-CE1 3.82Å; I39-F153 HydrophobicContact CD1-CE2 3.38Å; I39-F153 HydrophobicContact CD1-CG 3.73Å; I39-F153 HydrophobicContact CD1-CZ 3.56Å; L68-F153 HydrophobicContact CD2-CB 3.85Å; L68-F153 HydrophobicContact CD2-CD2 4.18Å; L92-F153 HydrophobicContact CD2-CB 3.73Å; L92-F153 HydrophobicContact CD2-CD1 4.18Å; L92-F153 HydrophobicContact CD2-CG 4.17Å; F101-F153 AromaticContact CE1-CE1 3.75Å; F101-F153 HydrophobicContact CE1-CE1 3.75Å; F101-F153 AromaticContact CE1-CZ 3.57Å; F101-F153 HydrophobicContact CE1-CZ 3.57Å; F101-F153 HydrophobicContact CZ-CE1 4.26Å; F101-F153 AromaticContact CZ-CZ 3.96Å; F101-F153 HydrophobicContact CZ-CZ 3.96Å; L102-F153 HydrophobicContact CD2-CE1 4.48Å; L102-F153 HydrophobicContact CD2-CE2 4.39Å; L102-F153 HydrophobicContact CD2-CZ 3.78Å; L105-F153 HydrophobicContact CD1-CE2 3.74Å; L105-F153 HydrophobicContact CD1-CZ 3.62Å; L109-F153 HydrophobicContact CD1-CD2 4.35Å; L109-F153 HydrophobicContact CD1-CE2 3.94Å; C149-F153 PolarHBondContact O-N 3.21Å; C149-F153 VanDerWaalsContact O-N 3.09Å; A150-F153 PolarHBondContact O-N 2.47Å; T151-F153 VanDerWaalsContact C-N 3.31Å; T151-F153 PolarHBondContact O-N 2.81Å; F153-L155 VanDerWaalsContact C-N 3.35Å; F153-L155 PolarHBondContact O-N 2.65Å; F153-A156 PolarHBondContact O-N 2.8Å; F153-V157 HydrophobicContact CD2-CG2 3.88Å; F153-V157 HydrophobicContact CE1-CG2 4.38Å; F153-V157 HydrophobicContact CE2-CG2 3.44Å; F153-V157 VanDerWaalsContact CE2-CG2 3.44Å; F153-V157 HydrophobicContact CZ-CG2 3.74Å; F153-V157 WeakPolarHBondContact O-CG2 3.12Å; F153-V157 PolarHBondContact O-N 3.46Å
154T94.4Very high91.2Very high52 Ų5242.6 Ų42.632%0.31922%0.223SC..Hα-helixtrans-59.4-45.9177.3-58.20000111.5L8 A150 T151 R158L8-T154 HydrophobicContact CD1-CG2 3.74Å; A150-T154 WeakPolarHBondContact O-CB 3.36Å; A150-T154 PolarHBondContact O-N 3.48Å; A150-T154 PolarHBondContact O-OG1 2.9Å; T151-T154 PolarHBondContact O-N 3.03Å; T154-R158 VanDerWaalsContact O-CB 3.27Å; T154-R158 WeakPolarHBondContact O-CB 3.24Å; T154-R158 PolarHBondContact O-N 2.96Å
155L94.5Very high89.6Confident18 Ų1846.6 Ų46.69%0.09425%0.245CC..Hα-helixtrans-65.2-42.9178.6-68.7175.8000111.6L111 W122 T151 F152 F153 R158 E159L111-L155 HydrophobicContact CD1-CB 3.6Å; L111-L155 HydrophobicContact CD1-CD1 4.47Å; L111-L155 HydrophobicContact CD2-CB 3.85Å; L111-L155 HydrophobicContact CD2-CD1 4.13Å; L111-L155 HydrophobicContact CG-CB 4.37Å; W122-L155 HydrophobicContact CE3-CD1 4.03Å; W122-L155 HydrophobicContact CH2-CD1 4.31Å; W122-L155 HydrophobicContact CZ3-CD1 3.59Å; T151-L155 HydrophobicContact CG2-CD1 3.93Å; T151-L155 HydrophobicContact CG2-CG 4.19Å; T151-L155 WeakPolarHBondContact O-CB 3.37Å; T151-L155 VanDerWaalsContact O-CG 3.28Å; T151-L155 WeakPolarHBondContact O-CG 3.3Å; T151-L155 PolarHBondContact O-N 3.41Å; F152-L155 PolarHBondContact O-N 3.26Å; F153-L155 VanDerWaalsContact C-N 3.35Å; F153-L155 PolarHBondContact O-N 2.65Å; L155-R158 PolarHBondContact O-N 3.45Å; L155-E159 WeakPolarHBondContact O-CB 3.44Å; L155-E159 PolarHBondContact O-N 2.87Å
156A94.9Very high87.6Confident0 Ų052.6 Ų52.60%028%0.282CS..Hα-helixtrans-64.1-42.9178.700000112.4L68 L109 L111 F152 F153 E159 W160L68-A156 HydrophobicContact CD1-CB 3.57Å; L109-A156 HydrophobicContact CB-CB 4.05Å; L111-A156 HydrophobicContact CB-CB 3.99Å; F152-A156 WeakPolarHBondContact O-CB 3.3Å; F152-A156 PolarHBondContact O-N 3.18Å; F153-A156 PolarHBondContact O-N 2.8Å; A156-E159 PolarHBondContact O-N 2.83Å; A156-W160 WeakPolarHBondContact O-CB 3.47Å; A156-W160 PolarHBondContact O-N 2.76Å
157V92.3Very high85.7Confident0 Ų058.8 Ų58.80%031%0.308CS..Hα-helixtrans-64.8-41.8175175.20000110.6L4 L105 L109 F153 W160 I161 L171L4-V157 HydrophobicContact CD1-CG1 3.75Å; L4-V157 HydrophobicContact CD2-CG1 3.85Å; L4-V157 HydrophobicContact CG-CG1 4.47Å; L105-V157 HydrophobicContact CD1-CG2 4.15Å; L105-V157 HydrophobicContact CD2-CG1 4.5Å; L105-V157 HydrophobicContact CD2-CG2 4.47Å; L109-V157 HydrophobicContact CD1-CG2 3.65Å; F153-V157 HydrophobicContact CD2-CG2 3.88Å; F153-V157 HydrophobicContact CE1-CG2 4.38Å; F153-V157 HydrophobicContact CE2-CG2 3.44Å; F153-V157 VanDerWaalsContact CE2-CG2 3.44Å; F153-V157 HydrophobicContact CZ-CG2 3.74Å; F153-V157 WeakPolarHBondContact O-CG2 3.12Å; F153-V157 PolarHBondContact O-N 3.46Å; V157-W160 PolarHBondContact O-N 2.9Å; V157-I161 HydrophobicContact CG1-CD1 3.75Å; V157-I161 HydrophobicContact CG1-CG1 4.39Å; V157-I161 VanDerWaalsContact O-CG1 3.25Å; V157-I161 WeakPolarHBondContact O-CG1 3.18Å; V157-I161 PolarHBondContact O-N 2.87Å; V157-L171 HydrophobicContact CG1-CD2 4.29Å
158R90.2Very high84.4Confident129 Ų12957.8 Ų57.849%0.48730%0.302SS..Hα-helixtrans-62.5-45.1177.3-176.1179.973.6177.811.6111.8E119 T154 L155 I161 A162E119-R158 IonicContact OE1-NH2 3.42Å; E119-R158 PolarHBondContact OE1-NH2 2.88Å; T154-R158 VanDerWaalsContact O-CB 3.27Å; T154-R158 WeakPolarHBondContact O-CB 3.24Å; T154-R158 PolarHBondContact O-N 2.96Å; L155-R158 PolarHBondContact O-N 3.45Å; R158-I161 PolarHBondContact O-N 2.83Å; R158-A162 WeakPolarHBondContact O-CB 3.39Å; R158-A162 PolarHBondContact O-N 3.03Å
159E89.9Confident83.7Confident38 Ų3858.1 Ų58.118%0.17830%0.304CS..Hα-helixtrans-62.3-46177.3-176.2172.6175.400110.8A112 L155 A156 I161 A162 Q163A112-E159 PolarHBondContact N-OE2 3.25Å; A112-E159 VanDerWaalsContact N-OE2 3.11Å; L155-E159 WeakPolarHBondContact O-CB 3.44Å; L155-E159 PolarHBondContact O-N 2.87Å; A156-E159 PolarHBondContact O-N 2.83Å; E159-I161 PolarHBondContact O-N 2.98Å; E159-A162 PolarHBondContact O-N 3.28Å; E159-Q163 WeakPolarHBondContact O-CG 3.48Å; E159-Q163 PolarHBondContact O-N 2.71Å; E159-Q163 PolarHBondContact OE1-NE2 2.79Å; E159-Q163 VanDerWaalsContact OE1-NE2 3.14Å
160W89.9Confident83.3Confident41 Ų4159.3 Ų59.316%0.15531%0.31CS..Hα-helixtrans-59.3-47.4175.517868000112.3L105 P106 L109 A156 V157 A162 Q163 V164 N169 L171L105-W160 HydrophobicContact CD2-CE3 4.31Å; L105-W160 HydrophobicContact CD2-CZ3 4Å; P106-W160 HydrophobicContact CG-CD2 4.03Å; P106-W160 HydrophobicContact CG-CG 4.38Å; P106-W160 HydrophobicContact CG-CH2 4.4Å; P106-W160 HydrophobicContact CG-CZ2 3.59Å; P106-W160 VanDerWaalsContact CG-NE1 3.3Å; L109-W160 HydrophobicContact CD2-CB 3.63Å; L109-W160 HydrophobicContact CD2-CD2 4.14Å; L109-W160 HydrophobicContact CD2-CG 3.68Å; A156-W160 WeakPolarHBondContact O-CB 3.47Å; A156-W160 PolarHBondContact O-N 2.76Å; V157-W160 PolarHBondContact O-N 2.9Å; W160-A162 VanDerWaalsContact C-N 3.27Å; W160-A162 PolarHBondContact O-N 2.91Å; W160-Q163 PolarHBondContact O-N 3.05Å; W160-V164 HydrophobicContact CD2-CG2 4.29Å; W160-V164 HydrophobicContact CG-CG2 4.28Å; W160-V164 HydrophobicContact CZ2-CG2 4.31Å; W160-V164 WeakPolarHBondContact O-CB 3.28Å; W160-V164 WeakPolarHBondContact O-CG2 3.44Å; W160-V164 PolarHBondContact O-N 3.36Å; W160-N169 HydrophobicContact CH2-CB 4.04Å; W160-N169 HydrophobicContact CZ2-CB 4.29Å; W160-L171 HydrophobicContact CE3-CD2 4.26Å; W160-L171 HydrophobicContact CH2-CB 4.09Å; W160-L171 HydrophobicContact CZ3-CB 3.83Å; W160-L171 HydrophobicContact CZ3-CD2 3.6Å; W160-L171 HydrophobicContact CZ3-CG 4.33Å
161I87.2Confident83Confident69 Ų6958.6 Ų58.635%0.35430%0.304SS..Hα-helixtrans-59.5-39.5176.6-69.2166000111.3L4 V157 R158 E159 V164 L171L4-I161 HydrophobicContact CD2-CD1 3.74Å; V157-I161 HydrophobicContact CG1-CD1 3.75Å; V157-I161 HydrophobicContact CG1-CG1 4.39Å; V157-I161 VanDerWaalsContact O-CG1 3.25Å; V157-I161 WeakPolarHBondContact O-CG1 3.18Å; V157-I161 PolarHBondContact O-N 2.87Å; R158-I161 PolarHBondContact O-N 2.83Å; E159-I161 PolarHBondContact O-N 2.98Å; I161-V164 PolarHBondContact O-N 3.36Å; I161-L171 HydrophobicContact CD1-CD2 3.82Å; I161-L171 HydrophobicContact CG1-CD2 4.06Å
162A85.2Confident82.7Confident69 Ų6958.2 Ų58.257%0.5730%0.304SS*.Hα-helixtrans-70-36179.600000113R158 E159 W160R158-A162 WeakPolarHBondContact O-CB 3.39Å; R158-A162 PolarHBondContact O-N 3.03Å; E159-A162 PolarHBondContact O-N 3.28Å; W160-A162 VanDerWaalsContact C-N 3.27Å; W160-A162 PolarHBondContact O-N 2.91Å
163Q82Confident82.5Confident136 Ų13658.2 Ų58.264%0.63630%0.304SS*.Hα-helixtrans-71.9-34.5175.9-70.5177.611.100111.8E159 W160 N165E159-Q163 WeakPolarHBondContact O-CG 3.48Å; E159-Q163 PolarHBondContact O-N 2.71Å; E159-Q163 PolarHBondContact OE1-NE2 2.79Å; E159-Q163 VanDerWaalsContact OE1-NE2 3.14Å; W160-Q163 PolarHBondContact O-N 3.05Å; Q163-N165 PolarHBondContact O-N 3.08Å
164V70.2Confident82.2Confident33 Ų3359.4 Ų59.420%0.231%0.31CS..THydrogen-bonded Turntrans-79.829.5-177.41780000112W160 I161 T166 E167 N169W160-V164 HydrophobicContact CD2-CG2 4.29Å; W160-V164 HydrophobicContact CG-CG2 4.28Å; W160-V164 HydrophobicContact CZ2-CG2 4.31Å; W160-V164 WeakPolarHBondContact O-CB 3.28Å; W160-V164 WeakPolarHBondContact O-CG2 3.44Å; W160-V164 PolarHBondContact O-N 3.36Å; I161-V164 PolarHBondContact O-N 3.36Å; V164-T166 PolarHBondContact O-N 3.2Å; V164-E167 HydrophobicContact CG1-CB 4.01Å; V164-E167 WeakPolarHBondContact CG1-O 3.21Å; V164-E167 PolarHBondContact O-N 3.39Å; V164-N169 WeakPolarHBondContact CG1-ND2 3.44Å
165N58.1Low81.9Confident143 Ų14359 Ų5977%0.76531%0.305SS*.THydrogen-bonded Turntrans-6110.9-171.4-154.420.8000116.2Q163Q163-N165 PolarHBondContact O-N 3.08Å
166T50.9Low81.7Confident130 Ų13060.1 Ų60.180%0.79831%0.31SS*.THydrogen-bonded Turntrans-150.3-15.3173.936.70000115.1V164 K168V164-T166 PolarHBondContact O-N 3.2Å; T166-K168 PolarHBondContact O-N 3.09Å
167E54.9Low81.4Confident151 Ų15166.1 Ų66.171%0.70635%0.349SS*.  trans-93.496.9-177.3-66.3-168.1-177.100111.9V164 N169V164-E167 HydrophobicContact CG1-CB 4.01Å; V164-E167 WeakPolarHBondContact CG1-O 3.21Å; V164-E167 PolarHBondContact O-N 3.39Å; E167-N169 PolarHBondContact O-N 3.01Å; E167-N169 PolarHBondContact O-ND2 3.38Å; E167-N169 VanDerWaalsContact O-ND2 3.09Å
168K67.5Low81.5Confident104 Ų10472.1 Ų72.145%0.45237%0.372SS..  trans-44.8107.3170.1-58.7-176.7-179.3-177.50111.5T166 R215 D216 V217 S218T166-K168 PolarHBondContact O-N 3.09Å; K168-R215 PolarHBondContact NZ-O 3.44Å; K168-D216 WeakPolarHBondContact CE-O 3.36Å; K168-D216 PolarHBondContact NZ-O 3.33Å; K168-V217 VanDerWaalsContact CB-O 3.27Å; K168-V217 WeakPolarHBondContact CB-O 3.43Å; K168-V217 WeakPolarHBondContact CG-O 3.4Å; K168-S218 WeakPolarHBondContact CB-O 3.34Å
169N78.8Confident81.7Confident29 Ų2966 Ų6616%0.15535%0.348CS..  trans-120.3171.2-171.261.867.5000112.6W160 V164 E167 L171 S172 L173W160-N169 HydrophobicContact CH2-CB 4.04Å; W160-N169 HydrophobicContact CZ2-CB 4.29Å; V164-N169 WeakPolarHBondContact CG1-ND2 3.44Å; E167-N169 PolarHBondContact O-N 3.01Å; E167-N169 PolarHBondContact O-ND2 3.38Å; E167-N169 VanDerWaalsContact O-ND2 3.09Å; N169-L171 VanDerWaalsContact C-N 3.34Å; N169-L171 PolarHBondContact O-N 2.85Å; N169-L171 WeakPolarHBondContact OD1-CA 3.47Å; N169-L171 WeakPolarHBondContact OD1-CB 3.5Å; N169-L171 PolarHBondContact OD1-N 3.13Å; N169-L171 VanDerWaalsContact OD1-N 3.1Å; N169-S172 PolarHBondContact ND2-OG 2.9Å; N169-S172 PolarHBondContact O-N 3.1Å; N169-S172 PolarHBondContact OD1-N 3.03Å; N169-S172 PolarHBondContact OD1-OG 2.98Å; N169-L173 PolarHBondContact O-N 3.26Å
170I87.8Confident81.9Confident26 Ų2664.6 Ų64.613%0.13334%0.344CS..Hα-helixtrans-66.8-35.1-177.5-57.3-179000111.4S172 L173 L174 I183 V225 L229I170-S172 VanDerWaalsContact C-N 3.33Å; I170-S172 PolarHBondContact O-N 3.28Å; I170-L173 WeakPolarHBondContact O-CB 3.4Å; I170-L173 PolarHBondContact O-N 2.91Å; I170-L173 VanDerWaalsContact O-N 3.16Å; I170-L174 PolarHBondContact O-N 3.1Å; I170-I183 HydrophobicContact CG2-CG2 3.99Å; I170-V225 HydrophobicContact CD1-CG1 4.37Å; I170-V225 HydrophobicContact CG1-CG1 4.3Å; I170-L229 HydrophobicContact CD1-CD2 3.63Å; I170-L229 HydrophobicContact CD1-CG 4.21Å; I170-L229 HydrophobicContact CG2-CD2 4.26Å
171L88.1Confident82Confident2 Ų265 Ų651%0.0136%0.356CS..Hα-helixtrans-61.2-42176.2-17965.8000111.4F101 L105 V157 W160 I161 N169 L173 L174 L175F101-L171 HydrophobicContact CD2-CD1 3.81Å; F101-L171 HydrophobicContact CE2-CD1 3.58Å; L105-L171 HydrophobicContact CD2-CD1 4.36Å; L105-L171 HydrophobicContact CD2-CD2 3.83Å; L105-L171 HydrophobicContact CD2-CG 4.46Å; V157-L171 HydrophobicContact CG1-CD2 4.29Å; W160-L171 HydrophobicContact CE3-CD2 4.26Å; W160-L171 HydrophobicContact CH2-CB 4.09Å; W160-L171 HydrophobicContact CZ3-CB 3.83Å; W160-L171 HydrophobicContact CZ3-CD2 3.6Å; W160-L171 HydrophobicContact CZ3-CG 4.33Å; I161-L171 HydrophobicContact CD1-CD2 3.82Å; I161-L171 HydrophobicContact CG1-CD2 4.06Å; N169-L171 VanDerWaalsContact C-N 3.34Å; N169-L171 PolarHBondContact O-N 2.85Å; N169-L171 WeakPolarHBondContact OD1-CA 3.47Å; N169-L171 WeakPolarHBondContact OD1-CB 3.5Å; N169-L171 PolarHBondContact OD1-N 3.13Å; N169-L171 VanDerWaalsContact OD1-N 3.1Å; L171-L173 VanDerWaalsContact C-N 3.26Å; L171-L173 PolarHBondContact O-N 3.47Å; L171-L174 HydrophobicContact CD1-CD2 4.43Å; L171-L174 PolarHBondContact O-N 3.16Å; L171-L174 VanDerWaalsContact O-N 3.1Å; L171-L175 HydrophobicContact CD1-CD1 3.96Å; L171-L175 HydrophobicContact CD1-CD2 4.25Å; L171-L175 HydrophobicContact CD1-CG 3.84Å; L171-L175 HydrophobicContact CD2-CD1 4.13Å; L171-L175 HydrophobicContact CG-CD1 3.78Å; L171-L175 HydrophobicContact CG-CG 4.06Å; L171-L175 WeakPolarHBondContact O-CG 3.42Å; L171-L175 PolarHBondContact O-N 3.32Å
172S88.1Confident82.4Confident50 Ų5061.7 Ų61.735%0.3534%0.339SS..Hα-helixtrans-59.2-37.5176.1-57.10000112.4N169 I170 H176N169-S172 PolarHBondContact ND2-OG 2.9Å; N169-S172 PolarHBondContact O-N 3.1Å; N169-S172 PolarHBondContact OD1-N 3.03Å; N169-S172 PolarHBondContact OD1-OG 2.98Å; I170-S172 VanDerWaalsContact C-N 3.33Å; I170-S172 PolarHBondContact O-N 3.28Å; S172-H176 WeakPolarHBondContact O-CB 3.24Å; S172-H176 PolarHBondContact O-N 3.2Å
173L91.4Very high82.9Confident0 Ų058.4 Ų58.40%031%0.312CS..Hα-helixtrans-68.5-43174-65.1164.6000111.6N169 I170 L171 L175 H176 L179 G180 I183 F214 V217 V225N169-L173 PolarHBondContact O-N 3.26Å; I170-L173 WeakPolarHBondContact O-CB 3.4Å; I170-L173 PolarHBondContact O-N 2.91Å; I170-L173 VanDerWaalsContact O-N 3.16Å; L171-L173 VanDerWaalsContact C-N 3.26Å; L171-L173 PolarHBondContact O-N 3.47Å; L173-L175 VanDerWaalsContact C-N 3.34Å; L173-L175 PolarHBondContact O-N 3.41Å; L173-H176 WeakPolarHBondContact O-CB 3.4Å; L173-H176 PolarHBondContact O-N 2.93Å; L173-L179 HydrophobicContact CD2-CB 4.46Å; L173-L179 HydrophobicContact CD2-CD1 3.58Å; L173-L179 CarbonylContact O-C 3.56Å; L173-G180 WeakPolarHBondContact O-CA 3.27Å; L173-G180 PolarHBondContact O-N 3.1Å; L173-G180 VanDerWaalsContact O-N 3.13Å; L173-I183 HydrophobicContact CB-CD1 4Å; L173-I183 HydrophobicContact CB-CG1 3.51Å; L173-I183 HydrophobicContact CD1-CD1 3.93Å; L173-I183 HydrophobicContact CD1-CG1 4.38Å; L173-F214 HydrophobicContact CD1-CE1 4.01Å; L173-F214 HydrophobicContact CD1-CE2 4.14Å; L173-F214 HydrophobicContact CD1-CZ 3.57Å; L173-F214 HydrophobicContact CD2-CD2 4.17Å; L173-F214 HydrophobicContact CD2-CE1 4.35Å; L173-F214 HydrophobicContact CD2-CE2 4.02Å; L173-F214 HydrophobicContact CD2-CG 4.41Å; L173-F214 HydrophobicContact CD2-CZ 4.11Å; L173-F214 HydrophobicContact CG-CZ 4.46Å; L173-V217 HydrophobicContact CD2-CB 3.98Å; L173-V217 HydrophobicContact CD2-CG1 3.69Å; L173-V217 HydrophobicContact CG-CG1 4.31Å; L173-V225 HydrophobicContact CD1-CG1 4.29Å; L173-V225 HydrophobicContact CD1-CG2 4.2Å
174L89.8Confident83.4Confident27 Ų2756.1 Ų56.114%0.14130%0.301CS..Hα-helixtrans-63.4-38.6179.6-175.164.2000112.2F101 I170 L171 H176 G180 I183F101-L174 HydrophobicContact CB-CD2 4.16Å; F101-L174 HydrophobicContact CD2-CD2 4.13Å; I170-L174 PolarHBondContact O-N 3.1Å; L171-L174 HydrophobicContact CD1-CD2 4.43Å; L171-L174 PolarHBondContact O-N 3.16Å; L171-L174 VanDerWaalsContact O-N 3.1Å; L174-H176 VanDerWaalsContact C-N 3.33Å; L174-G180 WeakPolarHBondContact O-CA 3.3Å; L174-I183 HydrophobicContact CB-CG2 4.31Å; L174-I183 HydrophobicContact CD1-CB 4.33Å; L174-I183 HydrophobicContact CD1-CG2 4.1Å
175L87.7Confident84.6Confident43 Ų4357.1 Ų57.123%0.22530%0.304CS..Hα-helixtrans-81.1-11178.7-62.5179.3000113.3A3 L4 L7 L171 L173A3-L175 HydrophobicContact CB-CB 4.15Å; A3-L175 HydrophobicContact CB-CD2 3.82Å; A3-L175 HydrophobicContact CB-CG 4.47Å; L4-L175 HydrophobicContact CB-CD1 4.44Å; L7-L175 HydrophobicContact CD1-CD2 4.11Å; L171-L175 HydrophobicContact CD1-CD1 3.96Å; L171-L175 HydrophobicContact CD1-CD2 4.25Å; L171-L175 HydrophobicContact CD1-CG 3.84Å; L171-L175 HydrophobicContact CD2-CD1 4.13Å; L171-L175 HydrophobicContact CG-CD1 3.78Å; L171-L175 HydrophobicContact CG-CG 4.06Å; L171-L175 WeakPolarHBondContact O-CG 3.42Å; L171-L175 PolarHBondContact O-N 3.32Å; L173-L175 VanDerWaalsContact C-N 3.34Å; L173-L175 PolarHBondContact O-N 3.41Å
176H90.7Very high86.4Confident43 Ų4350.3 Ų50.320%0.19927%0.267CS..SBendtrans-76.2131.1-177.6-178.8-83000111.6S172 L173 L174 R178 L179 G180S172-H176 WeakPolarHBondContact O-CB 3.24Å; S172-H176 PolarHBondContact O-N 3.2Å; L173-H176 WeakPolarHBondContact O-CB 3.4Å; L173-H176 PolarHBondContact O-N 2.93Å; L174-H176 VanDerWaalsContact C-N 3.33Å; H176-R178 VanDerWaalsContact C-N 3.27Å; H176-R178 PolarHBondContact ND1-N 2.9Å; H176-R178 PolarHBondContact O-N 3.45Å; H176-L179 HydrophobicContact CB-CB 4.11Å; H176-L179 PolarHBondContact ND1-N 3.33Å; H176-L179 PolarHBondContact O-N 3.43Å; H176-L179 VanDerWaalsContact O-N 3.1Å; H176-G180 PolarHBondContact O-N 3.48Å
177P90Very high88.5Confident125 Ų12544.2 Ų44.281%0.81223%0.23SC*.THydrogen-bonded Turntrans-55.1-32.7-171.2-29.234.8000116.4
178R92.8Very high90.3Very high127 Ų12740.2 Ų40.248%0.47921%0.211SC..THydrogen-bonded Turntrans-100.1-21.3179.4-64.3-176.6-75.7178.9-2.7114.6H176H176-R178 VanDerWaalsContact C-N 3.27Å; H176-R178 PolarHBondContact ND1-N 2.9Å; H176-R178 PolarHBondContact O-N 3.45Å
179L95.1Very high91.6Very high0 Ų039.2 Ų39.20%021%0.209CC..THydrogen-bonded Turntrans-102.9-20.1-173.4-58.7179000111.7L173 H176 A181 V182 I183 F210 L213 F214 V217L173-L179 HydrophobicContact CD2-CB 4.46Å; L173-L179 HydrophobicContact CD2-CD1 3.58Å; L173-L179 CarbonylContact O-C 3.56Å; H176-L179 HydrophobicContact CB-CB 4.11Å; H176-L179 PolarHBondContact ND1-N 3.33Å; H176-L179 PolarHBondContact O-N 3.43Å; H176-L179 VanDerWaalsContact O-N 3.1Å; L179-A181 VanDerWaalsContact C-N 3.34Å; L179-A181 PolarHBondContact O-N 3.24Å; L179-V182 WeakPolarHBondContact O-CA 3.05Å; L179-V182 WeakPolarHBondContact O-CB 3.43Å; L179-V182 PolarHBondContact O-N 3.48Å; L179-I183 PolarHBondContact O-N 2.88Å; L179-F210 HydrophobicContact CD2-CD2 3.94Å; L179-F210 HydrophobicContact CD2-CE2 3.66Å; L179-L213 HydrophobicContact CD1-CG 4.23Å; L179-L213 HydrophobicContact CD2-CD2 4.15Å; L179-L213 HydrophobicContact CD2-CG 4.49Å; L179-L213 HydrophobicContact CG-CD2 4.3Å; L179-F214 HydrophobicContact CD1-CD2 4.37Å; L179-F214 HydrophobicContact CD2-CD2 4.25Å; L179-V217 HydrophobicContact CD1-CB 4.02Å; L179-V217 HydrophobicContact CD1-CG1 4.34Å; L179-V217 HydrophobicContact CD1-CG2 3.98Å
180G93Very high92.5Very high9 Ų938.7 Ų38.79%0.09321%0.207CC..Hα-helixtrans-57.1-45.8179.800000112.8L173 L174 H176 V182 I183 Q184L173-G180 WeakPolarHBondContact O-CA 3.27Å; L173-G180 PolarHBondContact O-N 3.1Å; L173-G180 VanDerWaalsContact O-N 3.13Å; L174-G180 WeakPolarHBondContact O-CA 3.3Å; H176-G180 PolarHBondContact O-N 3.48Å; G180-V182 VanDerWaalsContact C-N 3.26Å; G180-V182 PolarHBondContact O-N 3.22Å; G180-I183 PolarHBondContact O-N 2.91Å; G180-Q184 WeakPolarHBondContact O-CB 3.33Å; G180-Q184 PolarHBondContact O-N 3.2Å
181A93Very high92.9Very high48 Ų4839 Ų3940%0.39722%0.217SC..Hα-helixtrans-59.6-37175.100000112.4L179 Q185 I202L179-A181 VanDerWaalsContact C-N 3.34Å; L179-A181 PolarHBondContact O-N 3.24Å; A181-Q185 WeakPolarHBondContact O-CB 3.35Å; A181-Q185 VanDerWaalsContact O-CG 3.23Å; A181-Q185 WeakPolarHBondContact O-CG 3.49Å; A181-Q185 PolarHBondContact O-N 3.43Å; A181-I202 HydrophobicContact CB-CG2 4.18Å
182V96.5Very high93.3Very high0 Ų043.3 Ų43.30%024%0.237CC..Hα-helixtrans-66.5-47.2177.8-177.60000110.9L179 G180 Q185 M186 L199 I202 A203 F210L179-V182 WeakPolarHBondContact O-CA 3.05Å; L179-V182 WeakPolarHBondContact O-CB 3.43Å; L179-V182 PolarHBondContact O-N 3.48Å; G180-V182 VanDerWaalsContact C-N 3.26Å; G180-V182 PolarHBondContact O-N 3.22Å; V182-Q185 PolarHBondContact O-N 3.09Å; V182-M186 HydrophobicContact CG1-CE 4.2Å; V182-M186 WeakPolarHBondContact O-CG 3.48Å; V182-M186 PolarHBondContact O-N 3.28Å; V182-L199 HydrophobicContact CG1-CB 3.95Å; V182-L199 HydrophobicContact CG1-CD2 3.69Å; V182-L199 HydrophobicContact CG1-CG 4.33Å; V182-I202 HydrophobicContact CG2-CB 4.18Å; V182-I202 HydrophobicContact CG2-CG2 3.96Å; V182-A203 HydrophobicContact CG2-CB 3.92Å; V182-F210 HydrophobicContact CG1-CE2 4.17Å; V182-F210 HydrophobicContact CG1-CZ 3.98Å; V182-F210 HydrophobicContact CG2-CE2 4.06Å
183I95.1Very high93.7Very high0 Ų044.9 Ų44.90%025%0.253CS..Hα-helixtrans-65.3-41.2178.3-62.6-52.1000111.4I170 L173 L174 L179 G180 Q185 M186 L187 F214 V225I170-I183 HydrophobicContact CG2-CG2 3.99Å; L173-I183 HydrophobicContact CB-CD1 4Å; L173-I183 HydrophobicContact CB-CG1 3.51Å; L173-I183 HydrophobicContact CD1-CD1 3.93Å; L173-I183 HydrophobicContact CD1-CG1 4.38Å; L174-I183 HydrophobicContact CB-CG2 4.31Å; L174-I183 HydrophobicContact CD1-CB 4.33Å; L174-I183 HydrophobicContact CD1-CG2 4.1Å; L179-I183 PolarHBondContact O-N 2.88Å; G180-I183 PolarHBondContact O-N 2.91Å; I183-Q185 VanDerWaalsContact C-N 3.32Å; I183-Q185 PolarHBondContact O-N 3.02Å; I183-M186 HydrophobicContact CD1-SD 4Å; I183-M186 WeakPolarHBondContact O-CB 3.47Å; I183-M186 PolarHBondContact O-N 3.2Å; I183-L187 HydrophobicContact CG2-CD1 3.66Å; I183-L187 HydrophobicContact CG2-CG 4.32Å; I183-L187 WeakPolarHBondContact O-CB 3.37Å; I183-L187 WeakPolarHBondContact O-CG 3.15Å; I183-L187 PolarHBondContact O-N 3.03Å; I183-F214 HydrophobicContact CD1-CE2 3.92Å; I183-F214 HydrophobicContact CD1-CZ 4.09Å; I183-V225 HydrophobicContact CD1-CG1 4.22Å
184Q93.1Very high94Very high88 Ų8846.1 Ų46.141%0.41126%0.258SS..Hα-helixtrans-58.1-45.3174.8-176179.4-21.100111.2G180 M186 L187 E188G180-Q184 WeakPolarHBondContact O-CB 3.33Å; G180-Q184 PolarHBondContact O-N 3.2Å; Q184-M186 PolarHBondContact O-N 2.76Å; Q184-L187 PolarHBondContact O-N 3.16Å; Q184-E188 HydrophobicContact CG-CG 4.45Å; Q184-E188 VanDerWaalsContact CG-OE1 3.3Å; Q184-E188 WeakPolarHBondContact CG-OE1 3.4Å; Q184-E188 PolarHBondContact NE2-OE1 3.26Å; Q184-E188 WeakPolarHBondContact O-CB 3.32Å; Q184-E188 WeakPolarHBondContact O-CG 3.2Å; Q184-E188 PolarHBondContact O-N 3.13Å
185Q94.7Very high94.3Very high54 Ų5447.8 Ų47.825%0.25227%0.269SS..Hα-helixtrans-64.5-39.2176.7-71-61.9-5700112.8A181 V182 I183 L187 E188 M189 W194 I202A181-Q185 WeakPolarHBondContact O-CB 3.35Å; A181-Q185 VanDerWaalsContact O-CG 3.23Å; A181-Q185 WeakPolarHBondContact O-CG 3.49Å; A181-Q185 PolarHBondContact O-N 3.43Å; V182-Q185 PolarHBondContact O-N 3.09Å; I183-Q185 VanDerWaalsContact C-N 3.32Å; I183-Q185 PolarHBondContact O-N 3.02Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; Q185-L187 PolarHBondContact O-N 3.19Å; Q185-E188 PolarHBondContact NE2-OE2 2.84Å; Q185-E188 PolarHBondContact O-N 3.28Å; Q185-M189 PolarHBondContact O-N 3.08Å; Q185-W194 HydrophobicContact CB-CH2 3.95Å; Q185-W194 HydrophobicContact CB-CZ2 3.98Å; Q185-I202 HydrophobicContact CB-CD1 4.06Å; Q185-I202 HydrophobicContact CG-CD1 4.07Å; Q185-I202 HydrophobicContact CG-CG2 4.47Å
186M96.6Very high94.8Very high0 Ų046.9 Ų46.90%027%0.265CS..Hα-helixtrans-61.9-40.3173.6-71.3-178.2171.900112.5V182 I183 Q184 M189 P190 L199 P222 L226 L229V182-M186 HydrophobicContact CG1-CE 4.2Å; V182-M186 WeakPolarHBondContact O-CG 3.48Å; V182-M186 PolarHBondContact O-N 3.28Å; I183-M186 HydrophobicContact CD1-SD 4Å; I183-M186 WeakPolarHBondContact O-CB 3.47Å; I183-M186 PolarHBondContact O-N 3.2Å; Q184-M186 PolarHBondContact O-N 2.76Å; M186-M189 CarbonylContact O-C 3.53Å; M186-P190 WeakPolarHBondContact O-CA 3.3Å; M186-L199 HydrophobicContact CE-CD1 3.23Å; M186-L199 HydrophobicContact CE-CD2 3.53Å; M186-L199 HydrophobicContact CE-CG 3.97Å; M186-L199 HydrophobicContact CG-CD2 3.99Å; M186-P222 HydrophobicContact CE-CB 4.19Å; M186-L226 HydrophobicContact CB-CD1 4Å; M186-L226 HydrophobicContact CE-CB 4.2Å; M186-L226 HydrophobicContact CG-CD1 4.03Å; M186-L226 HydrophobicContact SD-CB 4.09Å; M186-L226 HydrophobicContact SD-CD1 4.35Å; M186-L229 HydrophobicContact CB-CD1 3.95Å; M186-L229 HydrophobicContact SD-CD1 4.32Å
187L93.6Very high95.2Very high3 Ų348.8 Ų48.82%0.01627%0.274CS..Hα-helixtrans-71.8-36.8178.8-76.1165.1000112Y100 T103 I183 Q184 Q185 L229 I233Y100-L187 HydrophobicContact CD1-CB 3.59Å; Y100-L187 HydrophobicContact CE1-CB 4.2Å; Y100-L187 WeakPolarHBondContact CE1-O 3.47Å; Y100-L187 HydrophobicContact CG-CB 3.85Å; T103-L187 HydrophobicContact CG2-CD2 4.01Å; I183-L187 HydrophobicContact CG2-CD1 3.66Å; I183-L187 HydrophobicContact CG2-CG 4.32Å; I183-L187 WeakPolarHBondContact O-CB 3.37Å; I183-L187 WeakPolarHBondContact O-CG 3.15Å; I183-L187 PolarHBondContact O-N 3.03Å; Q184-L187 PolarHBondContact O-N 3.16Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; Q185-L187 PolarHBondContact O-N 3.19Å; L187-L229 HydrophobicContact CD2-CD1 4.14Å; L187-L229 HydrophobicContact CD2-CD2 3.58Å; L187-L229 HydrophobicContact CD2-CG 4.33Å; L187-L229 HydrophobicContact CG-CD1 4.11Å; L187-L229 HydrophobicContact CG-CD2 4.34Å; L187-I233 HydrophobicContact CD2-CD1 4.49Å
188E93.4Very high95.6Very high67 Ų6744.5 Ų44.531%0.31325%0.247SC..Hα-helixtrans-72.3-39.5178-79172.1-171.500113.1Y100 Q184 Q185 P190Y100-E188 HydrophobicContact CD2-CG 3.99Å; Y100-E188 HydrophobicContact CE1-CG 4.42Å; Y100-E188 HydrophobicContact CE2-CB 4.35Å; Y100-E188 HydrophobicContact CE2-CG 3.21Å; Y100-E188 VanDerWaalsContact CZ-CG 3.45Å; Y100-E188 WeakPolarHBondContact OH-CA 3.23Å; Y100-E188 WeakPolarHBondContact OH-CG 3.44Å; Q184-E188 HydrophobicContact CG-CG 4.45Å; Q184-E188 VanDerWaalsContact CG-OE1 3.3Å; Q184-E188 WeakPolarHBondContact CG-OE1 3.4Å; Q184-E188 PolarHBondContact NE2-OE1 3.26Å; Q184-E188 WeakPolarHBondContact O-CB 3.32Å; Q184-E188 WeakPolarHBondContact O-CG 3.2Å; Q184-E188 PolarHBondContact O-N 3.13Å; Q185-E188 PolarHBondContact NE2-OE2 2.84Å; Q185-E188 PolarHBondContact O-N 3.28Å; E188-P190 VanDerWaalsContact C-CD 3.48Å
189M95.5Very high95.8Very high82 Ų8238.4 Ų38.440%0.40422%0.224SC..  trans-129.166-176.8-64.3-176.7-73.400111.1Q185 M186 G191 H192 W194Q185-M189 PolarHBondContact O-N 3.08Å; M186-M189 CarbonylContact O-C 3.53Å; M189-G191 PolarHBondContact O-N 3.06Å; M189-H192 HydrophobicContact CB-CB 4.06Å; M189-H192 WeakPolarHBondContact O-CB 3.36Å; M189-H192 PolarHBondContact O-N 3.19Å; M189-H192 VanDerWaalsContact O-N 3.16Å; M189-W194 HydrophobicContact CB-CZ2 4.16Å; M189-W194 HydrophobicContact CE-CH2 4.01Å; M189-W194 HydrophobicContact CE-CZ2 3.91Å; M189-W194 PolarHBondContact O-NE1 3.33Å
190P95.9Very high96Very high18 Ų1838.5 Ų38.512%0.11723%0.225CC..THydrogen-bonded Turntrans-61.4-33.6-179.625.9-35.5000111.8M186 E188 H192 R230 I233M186-P190 WeakPolarHBondContact O-CA 3.3Å; E188-P190 VanDerWaalsContact C-CD 3.48Å; P190-H192 VanDerWaalsContact C-N 3.28Å; P190-H192 PolarHBondContact O-N 3.26Å; P190-R230 HydrophobicContact CB-CG 4.08Å; P190-R230 VanDerWaalsContact O-CZ 3.24Å; P190-R230 PolarHBondContact O-NE 3.27Å; P190-R230 PolarHBondContact O-NH2 3.09Å; P190-I233 HydrophobicContact CB-CD1 3.89Å; P190-I233 HydrophobicContact CG-CD1 3.89Å; P190-I233 HydrophobicContact CG-CG2 4.48Å
191G96.8Very high96.2Very high33 Ų3342 Ų4234%0.3425%0.248SC..THydrogen-bonded Turntrans-69.9-1617900000115.7M189 S251M189-G191 PolarHBondContact O-N 3.06Å; G191-S251 WeakPolarHBondContact CA-O 3.4Å; G191-S251 PolarHBondContact N-O 3.38Å
192H97.2Very high96.4Very high92 Ų9242 Ų4243%0.42624%0.241SC..SBendtrans-67.5144.9-178.7-173.582.8000111.6M189 P190 W194 R230M189-H192 HydrophobicContact CB-CB 4.06Å; M189-H192 WeakPolarHBondContact O-CB 3.36Å; M189-H192 PolarHBondContact O-N 3.19Å; M189-H192 VanDerWaalsContact O-N 3.16Å; P190-H192 VanDerWaalsContact C-N 3.28Å; P190-H192 PolarHBondContact O-N 3.26Å; H192-W194 HydrophobicContact CB-CD2 4.35Å; H192-W194 HydrophobicContact CB-CZ2 4.19Å; H192-W194 AromaticContact CD2-CD2 3.54Å; H192-W194 AromaticContact CD2-CE2 3.77Å; H192-W194 AromaticContact CD2-CE3 3.6Å; H192-W194 AromaticContact CD2-CZ3 3.88Å; H192-W194 VanDerWaalsContact O-CD1 3.26Å; H192-W194 PolarHBondContact O-N 2.9Å; H192-R230 PolarHBondContact O-NH2 2.83Å
193A95.8Very high96.4Very high83 Ų8342.5 Ų42.569%0.68625%0.245SC*.  trans-76.459.2-178.900000112.3T195A193-T195 PolarHBondContact O-N 2.98Å
194W97.6Very high96.5Very high26 Ų2651 Ų5110%0.09828%0.284CS..  trans-58.1128.6-178.4-64.8112.6000112.3Q185 M189 H192 L199 I202 L226Q185-W194 HydrophobicContact CB-CH2 3.95Å; Q185-W194 HydrophobicContact CB-CZ2 3.98Å; M189-W194 HydrophobicContact CB-CZ2 4.16Å; M189-W194 HydrophobicContact CE-CH2 4.01Å; M189-W194 HydrophobicContact CE-CZ2 3.91Å; M189-W194 PolarHBondContact O-NE1 3.33Å; H192-W194 HydrophobicContact CB-CD2 4.35Å; H192-W194 HydrophobicContact CB-CZ2 4.19Å; H192-W194 AromaticContact CD2-CD2 3.54Å; H192-W194 AromaticContact CD2-CE2 3.77Å; H192-W194 AromaticContact CD2-CE3 3.6Å; H192-W194 AromaticContact CD2-CZ3 3.88Å; H192-W194 VanDerWaalsContact O-CD1 3.26Å; H192-W194 PolarHBondContact O-N 2.9Å; W194-L199 HydrophobicContact CB-CD1 4.27Å; W194-L199 HydrophobicContact CB-CD2 4.16Å; W194-L199 HydrophobicContact CB-CG 4.23Å; W194-L199 HydrophobicContact CD2-CD2 3.75Å; W194-L199 HydrophobicContact CE3-CD2 3.59Å; W194-L199 HydrophobicContact CE3-CG 4.23Å; W194-L199 HydrophobicContact CG-CD2 4.04Å; W194-L199 HydrophobicContact CZ3-CD2 4.27Å; W194-I202 HydrophobicContact CE3-CD1 4.41Å; W194-I202 HydrophobicContact CH2-CD1 3.78Å; W194-I202 HydrophobicContact CZ3-CD1 3.5Å; W194-I202 VanDerWaalsContact CZ3-CD1 3.5Å; W194-L226 HydrophobicContact CB-CD2 3.68Å; W194-L226 HydrophobicContact CG-CD2 4.06Å
195T97.1Very high96.8Very high63 Ų6348.6 Ų48.639%0.38727%0.274SS..  trans-108.2163168.567.60000110A193 E197 S198 L199A193-T195 PolarHBondContact O-N 2.98Å; T195-E197 WeakPolarHBondContact CB-OE2 3.32Å; T195-E197 PolarHBondContact O-N 2.91Å; T195-E197 PolarHBondContact OG1-OE2 2.99Å; T195-S198 PolarHBondContact N-OG 2.85Å; T195-S198 PolarHBondContact O-N 2.97Å; T195-S198 PolarHBondContact O-OG 2.75Å; T195-S198 PolarHBondContact OG1-N 3.23Å; T195-S198 PolarHBondContact OG1-OG 2.8Å; T195-L199 WeakPolarHBondContact O-CD1 3.45Å; T195-L199 WeakPolarHBondContact O-CG 3.38Å; T195-L199 PolarHBondContact O-N 2.87Å; T195-L199 VanDerWaalsContact O-N 3.09Å
196V97.8Very high96.9Very high24 Ų2449.1 Ų49.115%0.14528%0.283CS..Hα-helixtrans-61.2-33.3176-178.20000110.3A200 R207 F210 A211 L223V196-A200 VanDerWaalsContact O-CB 3.23Å; V196-A200 WeakPolarHBondContact O-CB 3.35Å; V196-A200 PolarHBondContact O-N 3.39Å; V196-R207 HydrophobicContact CB-CG 4.37Å; V196-R207 HydrophobicContact CG1-CG 3.83Å; V196-F210 HydrophobicContact CG1-CD1 3.95Å; V196-F210 HydrophobicContact CG1-CE1 4.21Å; V196-A211 HydrophobicContact CG1-CB 4.33Å; V196-L223 HydrophobicContact CG2-CD1 4.19Å; V196-L223 HydrophobicContact CG2-CG 4.14Å
197E98.3Very high97Very high83 Ų8356.2 Ų56.239%0.38831%0.31SS..Hα-helixtrans-66-48.5176.4-63.579-177.900112.2T195 L199 A200 S201 R207T195-E197 WeakPolarHBondContact CB-OE2 3.32Å; T195-E197 PolarHBondContact O-N 2.91Å; T195-E197 PolarHBondContact OG1-OE2 2.99Å; E197-L199 VanDerWaalsContact C-N 3.29Å; E197-L199 PolarHBondContact O-N 3.02Å; E197-A200 PolarHBondContact O-N 2.62Å; E197-S201 PolarHBondContact O-N 3.12Å; E197-R207 HydrophobicContact CG-CG 4.25Å; E197-R207 WeakPolarHBondContact OE1-CD 3.35Å; E197-R207 IonicContact OE1-CZ 3.95Å; E197-R207 IonicContact OE1-NE 3.67Å; E197-R207 PolarHBondContact OE1-NE 2.74Å; E197-R207 VanDerWaalsContact OE1-NE 3.14Å; E197-R207 IonicContact OE1-NH1 2.63Å; E197-R207 PolarHBondContact OE1-NH1 2.76Å; E197-R207 IonicContact OE1-NH2 3Å
198S98.2Very high97.2Very high34 Ų3459.4 Ų59.424%0.23834%0.337CS..Hα-helixtrans-64-38.1178.863.50000111.5T195 S201 I202T195-S198 PolarHBondContact N-OG 2.85Å; T195-S198 PolarHBondContact O-N 2.97Å; T195-S198 PolarHBondContact O-OG 2.75Å; T195-S198 PolarHBondContact OG1-N 3.23Å; T195-S198 PolarHBondContact OG1-OG 2.8Å; S198-S201 WeakPolarHBondContact O-CB 3.49Å; S198-S201 PolarHBondContact O-N 2.94Å; S198-I202 PolarHBondContact O-N 3.02Å
199L98.2Very high97.4Very high0 Ų059.3 Ų59.30%034%0.343CS..Hα-helixtrans-69.4-40177.1-62.9165.6000111.8V182 M186 W194 T195 E197 S201 I202 A203 F210 P222 L223V182-L199 HydrophobicContact CG1-CB 3.95Å; V182-L199 HydrophobicContact CG1-CD2 3.69Å; V182-L199 HydrophobicContact CG1-CG 4.33Å; M186-L199 HydrophobicContact CE-CD1 3.23Å; M186-L199 HydrophobicContact CE-CD2 3.53Å; M186-L199 HydrophobicContact CE-CG 3.97Å; M186-L199 HydrophobicContact CG-CD2 3.99Å; W194-L199 HydrophobicContact CB-CD1 4.27Å; W194-L199 HydrophobicContact CB-CD2 4.16Å; W194-L199 HydrophobicContact CB-CG 4.23Å; W194-L199 HydrophobicContact CD2-CD2 3.75Å; W194-L199 HydrophobicContact CE3-CD2 3.59Å; W194-L199 HydrophobicContact CE3-CG 4.23Å; W194-L199 HydrophobicContact CG-CD2 4.04Å; W194-L199 HydrophobicContact CZ3-CD2 4.27Å; T195-L199 WeakPolarHBondContact O-CD1 3.45Å; T195-L199 WeakPolarHBondContact O-CG 3.38Å; T195-L199 PolarHBondContact O-N 2.87Å; T195-L199 VanDerWaalsContact O-N 3.09Å; E197-L199 VanDerWaalsContact C-N 3.29Å; E197-L199 PolarHBondContact O-N 3.02Å; L199-S201 VanDerWaalsContact C-N 3.28Å; L199-S201 PolarHBondContact O-N 3.5Å; L199-I202 PolarHBondContact O-N 2.83Å; L199-A203 PolarHBondContact O-N 2.97Å; L199-F210 HydrophobicContact CB-CE1 3.69Å; L199-F210 HydrophobicContact CB-CZ 3.72Å; L199-P222 HydrophobicContact CD1-CB 3.95Å; L199-L223 HydrophobicContact CD1-CD2 4.49Å
200A98.2Very high97.5Very high2 Ų255.4 Ų55.42%0.01732%0.324CS..Hα-helixtrans-63.2-35.9174.800000112V196 E197 I202 A203 H204 M205 F210V196-A200 VanDerWaalsContact O-CB 3.23Å; V196-A200 WeakPolarHBondContact O-CB 3.35Å; V196-A200 PolarHBondContact O-N 3.39Å; E197-A200 PolarHBondContact O-N 2.62Å; A200-I202 PolarHBondContact O-N 2.78Å; A200-A203 CarbonylContact O-C 3.55Å; A200-A203 PolarHBondContact O-N 3.5Å; A200-H204 PolarHBondContact O-N 3.32Å; A200-H204 VanDerWaalsContact O-N 3.15Å; A200-M205 CarbonylContact C-O 3.55Å; A200-M205 WeakPolarHBondContact CB-O 3.44Å; A200-M205 PolarHBondContact O-N 3.18Å; A200-F210 HydrophobicContact CB-CB 3.51Å; A200-F210 HydrophobicContact CB-CD1 3.75Å; A200-F210 HydrophobicContact CB-CG 3.68Å
201S97.9Very high97.6Very high82 Ų8255.2 Ų55.257%0.57332%0.324SS*.Hα-helixtrans-61.7-40.5175.4-169.60000112.4E197 S198 L199 A203 H204E197-S201 PolarHBondContact O-N 3.12Å; S198-S201 WeakPolarHBondContact O-CB 3.49Å; S198-S201 PolarHBondContact O-N 2.94Å; L199-S201 VanDerWaalsContact C-N 3.28Å; L199-S201 PolarHBondContact O-N 3.5Å; S201-A203 VanDerWaalsContact C-N 3.28Å; S201-A203 PolarHBondContact O-N 3.25Å; S201-H204 PolarHBondContact O-N 3.36Å; S201-H204 VanDerWaalsContact O-N 3.07Å
202I97.1Very high97.6Very high49 Ų4957.7 Ų57.725%0.25133%0.327SS..Hα-helixtrans-61.7-38.9175.4-66.4163.6000110.7A181 V182 Q185 W194 S198 L199 A200 H204A181-I202 HydrophobicContact CB-CG2 4.18Å; V182-I202 HydrophobicContact CG2-CB 4.18Å; V182-I202 HydrophobicContact CG2-CG2 3.96Å; Q185-I202 HydrophobicContact CB-CD1 4.06Å; Q185-I202 HydrophobicContact CG-CD1 4.07Å; Q185-I202 HydrophobicContact CG-CG2 4.47Å; W194-I202 HydrophobicContact CE3-CD1 4.41Å; W194-I202 HydrophobicContact CH2-CD1 3.78Å; W194-I202 HydrophobicContact CZ3-CD1 3.5Å; W194-I202 VanDerWaalsContact CZ3-CD1 3.5Å; S198-I202 PolarHBondContact O-N 3.02Å; L199-I202 PolarHBondContact O-N 2.83Å; A200-I202 PolarHBondContact O-N 2.78Å; I202-H204 PolarHBondContact O-N 2.75Å
203A96.9Very high97.6Very high10 Ų1054.5 Ų54.58%0.08331%0.313CS..THydrogen-bonded Turntrans-78.4-1.2177.200000113.9V182 L199 A200 S201 M205 F210V182-A203 HydrophobicContact CG2-CB 3.92Å; L199-A203 PolarHBondContact O-N 2.97Å; A200-A203 CarbonylContact O-C 3.55Å; A200-A203 PolarHBondContact O-N 3.5Å; S201-A203 VanDerWaalsContact C-N 3.28Å; S201-A203 PolarHBondContact O-N 3.25Å; A203-M205 VanDerWaalsContact C-N 3.29Å; A203-M205 HydrophobicContact CB-CB 4.43Å; A203-M205 HydrophobicContact CB-CG 4.22Å; A203-M205 HydrophobicContact CB-SD 4.23Å; A203-M205 WeakPolarHBondContact O-CG 3.42Å; A203-M205 PolarHBondContact O-N 2.65Å; A203-F210 HydrophobicContact CB-CD2 4Å; A203-F210 HydrophobicContact CB-CE2 4.38Å
204H97.4Very high97.6Very high179 Ų17950.5 Ų50.583%0.82928%0.28SS*.THydrogen-bonded Turntrans53.442.8-171.5-54.4-65.1000113.1A200 S201 I202A200-H204 PolarHBondContact O-N 3.32Å; A200-H204 VanDerWaalsContact O-N 3.15Å; S201-H204 PolarHBondContact O-N 3.36Å; S201-H204 VanDerWaalsContact O-N 3.07Å; I202-H204 PolarHBondContact O-N 2.75Å
205M97.8Very high97.4Very high37 Ų3754 Ų5418%0.18229%0.293CS..  trans-126.9155.2-176.8-69179.973.800111.6A200 A203 S209 F210 L213A200-M205 CarbonylContact C-O 3.55Å; A200-M205 WeakPolarHBondContact CB-O 3.44Å; A200-M205 PolarHBondContact O-N 3.18Å; A203-M205 VanDerWaalsContact C-N 3.29Å; A203-M205 HydrophobicContact CB-CB 4.43Å; A203-M205 HydrophobicContact CB-CG 4.22Å; A203-M205 HydrophobicContact CB-SD 4.23Å; A203-M205 WeakPolarHBondContact O-CG 3.42Å; A203-M205 PolarHBondContact O-N 2.65Å; M205-S209 WeakPolarHBondContact CE-O 3.36Å; M205-F210 HydrophobicContact CB-CB 4.03Å; M205-L213 HydrophobicContact CE-CB 4.09Å; M205-L213 HydrophobicContact CE-CD2 3.74Å; M205-L213 HydrophobicContact SD-CD2 3.66Å
206S98Very high97.2Very high64 Ų6455.3 Ų55.345%0.44830%0.298SS..  trans-62.2151.9165.684.40000110.2A208 S209 F210S206-A208 VanDerWaalsContact C-N 3.26Å; S206-A208 PolarHBondContact O-N 2.99Å; S206-S209 PolarHBondContact O-N 2.91Å; S206-S209 WeakPolarHBondContact OG-CB 3.44Å; S206-S209 PolarHBondContact OG-N 2.75Å; S206-S209 VanDerWaalsContact OG-N 3.1Å; S206-S209 PolarHBondContact OG-OG 2.8Å; S206-F210 WeakPolarHBondContact O-CB 3.25Å; S206-F210 PolarHBondContact O-N 2.8Å
207R97.9Very high96.8Very high149 Ų14955.7 Ų55.756%0.56230%0.3SS*.Hα-helixtrans-50.9-45176.2-178-163.9168.3163.92.6112.4V196 E197 A211V196-R207 HydrophobicContact CB-CG 4.37Å; V196-R207 HydrophobicContact CG1-CG 3.83Å; E197-R207 HydrophobicContact CG-CG 4.25Å; E197-R207 WeakPolarHBondContact OE1-CD 3.35Å; E197-R207 IonicContact OE1-CZ 3.95Å; E197-R207 IonicContact OE1-NE 3.67Å; E197-R207 PolarHBondContact OE1-NE 2.74Å; E197-R207 VanDerWaalsContact OE1-NE 3.14Å; E197-R207 IonicContact OE1-NH1 2.63Å; E197-R207 PolarHBondContact OE1-NH1 2.76Å; E197-R207 IonicContact OE1-NH2 3Å; R207-A211 WeakPolarHBondContact O-CB 3.32Å; R207-A211 PolarHBondContact O-N 3.06Å
208A97.7Very high96.4Very high71 Ų7152.1 Ų52.159%0.58728%0.284SS*.Hα-helixtrans-69.2-47.2-177.600000111.9S206 F210 A211 Q212S206-A208 VanDerWaalsContact C-N 3.26Å; S206-A208 PolarHBondContact O-N 2.99Å; A208-F210 VanDerWaalsContact C-N 3.34Å; A208-F210 PolarHBondContact O-N 2.8Å; A208-A211 PolarHBondContact O-N 3.06Å; A208-Q212 WeakPolarHBondContact O-CB 3.38Å; A208-Q212 PolarHBondContact O-N 3.38Å
209S98.2Very high96.1Very high64 Ų6452.8 Ų52.845%0.44830%0.296SS..Hα-helixtrans-63.5-40.2178.4-54.30000111.7M205 S206 L213M205-S209 WeakPolarHBondContact CE-O 3.36Å; S206-S209 PolarHBondContact O-N 2.91Å; S206-S209 WeakPolarHBondContact OG-CB 3.44Å; S206-S209 PolarHBondContact OG-N 2.75Å; S206-S209 VanDerWaalsContact OG-N 3.1Å; S206-S209 PolarHBondContact OG-OG 2.8Å; S209-L213 WeakPolarHBondContact O-CB 3.36Å; S209-L213 PolarHBondContact O-N 2.98Å
210F98.5Very high95.8Very high0 Ų055.4 Ų55.40%031%0.312CS..Hα-helixtrans-63-51.1175.8169.7-107.8000111.3L179 V182 V196 L199 A200 A203 M205 S206 A208 Q212 L213 F214 P222L179-F210 HydrophobicContact CD2-CD2 3.94Å; L179-F210 HydrophobicContact CD2-CE2 3.66Å; V182-F210 HydrophobicContact CG1-CE2 4.17Å; V182-F210 HydrophobicContact CG1-CZ 3.98Å; V182-F210 HydrophobicContact CG2-CE2 4.06Å; V196-F210 HydrophobicContact CG1-CD1 3.95Å; V196-F210 HydrophobicContact CG1-CE1 4.21Å; L199-F210 HydrophobicContact CB-CE1 3.69Å; L199-F210 HydrophobicContact CB-CZ 3.72Å; A200-F210 HydrophobicContact CB-CB 3.51Å; A200-F210 HydrophobicContact CB-CD1 3.75Å; A200-F210 HydrophobicContact CB-CG 3.68Å; A203-F210 HydrophobicContact CB-CD2 4Å; A203-F210 HydrophobicContact CB-CE2 4.38Å; M205-F210 HydrophobicContact CB-CB 4.03Å; S206-F210 WeakPolarHBondContact O-CB 3.25Å; S206-F210 PolarHBondContact O-N 2.8Å; A208-F210 VanDerWaalsContact C-N 3.34Å; A208-F210 PolarHBondContact O-N 2.8Å; F210-Q212 VanDerWaalsContact C-N 3.25Å; F210-Q212 PolarHBondContact O-N 3.47Å; F210-L213 PolarHBondContact O-N 2.9Å; F210-F214 AromaticContact CE2-CD2 3.99Å; F210-F214 HydrophobicContact CE2-CD2 3.99Å; F210-F214 AromaticContact CZ-CD2 3.76Å; F210-F214 HydrophobicContact CZ-CD2 3.76Å; F210-F214 HydrophobicContact CZ-CE2 4.4Å; F210-F214 HydrophobicContact CZ-CG 4.49Å; F210-F214 VanDerWaalsContact O-CB 3.25Å; F210-F214 WeakPolarHBondContact O-CB 3.13Å; F210-F214 PolarHBondContact O-N 3.49Å; F210-P222 HydrophobicContact CD1-CG 4.3Å; F210-P222 HydrophobicContact CE1-CB 3.93Å; F210-P222 HydrophobicContact CE1-CG 3.45Å; F210-P222 VanDerWaalsContact CE1-CG 3.45Å; F210-P222 HydrophobicContact CZ-CB 4.18Å; F210-P222 HydrophobicContact CZ-CG 3.91Å
211A97.2Very high95.6Very high14 Ų1458.4 Ų58.412%0.11633%0.33CS..Hα-helixtrans-61.4-36-179.100000112.2V196 R207 A208 R215V196-A211 HydrophobicContact CG1-CB 4.33Å; R207-A211 WeakPolarHBondContact O-CB 3.32Å; R207-A211 PolarHBondContact O-N 3.06Å; A208-A211 PolarHBondContact O-N 3.06Å; A211-R215 WeakPolarHBondContact O-CG 3.43Å; A211-R215 PolarHBondContact O-N 3.16Å; A211-R215 VanDerWaalsContact O-N 3.13Å
212Q96.9Very high95.6Very high85 Ų8554.7 Ų54.740%0.39730%0.304SS..Hα-helixtrans-68.3-53.3175.5-170.65739.900111.7A208 F210 F214 R215 D216A208-Q212 WeakPolarHBondContact O-CB 3.38Å; A208-Q212 PolarHBondContact O-N 3.38Å; F210-Q212 VanDerWaalsContact C-N 3.25Å; F210-Q212 PolarHBondContact O-N 3.47Å; Q212-F214 VanDerWaalsContact C-N 3.26Å; Q212-F214 PolarHBondContact O-N 3.28Å; Q212-R215 WeakPolarHBondContact O-CB 3.46Å; Q212-R215 PolarHBondContact O-N 2.9Å; Q212-D216 PolarHBondContact NE2-OD1 3.49Å; Q212-D216 PolarHBondContact O-N 2.95Å
213L96Very high95.5Very high25 Ų2555.8 Ų55.813%0.13131%0.31CS..Hα-helixtrans-56.9-42177.9177.265.3000111.7L179 M205 S209 F210 R215 D216 V217L179-L213 HydrophobicContact CD1-CG 4.23Å; L179-L213 HydrophobicContact CD2-CD2 4.15Å; L179-L213 HydrophobicContact CD2-CG 4.49Å; L179-L213 HydrophobicContact CG-CD2 4.3Å; M205-L213 HydrophobicContact CE-CB 4.09Å; M205-L213 HydrophobicContact CE-CD2 3.74Å; M205-L213 HydrophobicContact SD-CD2 3.66Å; S209-L213 WeakPolarHBondContact O-CB 3.36Å; S209-L213 PolarHBondContact O-N 2.98Å; F210-L213 PolarHBondContact O-N 2.9Å; L213-R215 PolarHBondContact O-N 3.31Å; L213-D216 PolarHBondContact O-N 3.09Å; L213-V217 HydrophobicContact CD1-CG2 4.22Å; L213-V217 WeakPolarHBondContact O-CG2 3.39Å; L213-V217 PolarHBondContact O-N 2.96Å
214F96.1Very high95.5Very high0 Ų056.9 Ų56.90%032%0.319CS..Hα-helixtrans-61.8-43177.6-163.5-77000111.3L173 L179 I183 F210 Q212 V217 S218 P222 V225L173-F214 HydrophobicContact CD1-CE1 4.01Å; L173-F214 HydrophobicContact CD1-CE2 4.14Å; L173-F214 HydrophobicContact CD1-CZ 3.57Å; L173-F214 HydrophobicContact CD2-CD2 4.17Å; L173-F214 HydrophobicContact CD2-CE1 4.35Å; L173-F214 HydrophobicContact CD2-CE2 4.02Å; L173-F214 HydrophobicContact CD2-CG 4.41Å; L173-F214 HydrophobicContact CD2-CZ 4.11Å; L173-F214 HydrophobicContact CG-CZ 4.46Å; L179-F214 HydrophobicContact CD1-CD2 4.37Å; L179-F214 HydrophobicContact CD2-CD2 4.25Å; I183-F214 HydrophobicContact CD1-CE2 3.92Å; I183-F214 HydrophobicContact CD1-CZ 4.09Å; F210-F214 AromaticContact CE2-CD2 3.99Å; F210-F214 HydrophobicContact CE2-CD2 3.99Å; F210-F214 AromaticContact CZ-CD2 3.76Å; F210-F214 HydrophobicContact CZ-CD2 3.76Å; F210-F214 HydrophobicContact CZ-CE2 4.4Å; F210-F214 HydrophobicContact CZ-CG 4.49Å; F210-F214 VanDerWaalsContact O-CB 3.25Å; F210-F214 WeakPolarHBondContact O-CB 3.13Å; F210-F214 PolarHBondContact O-N 3.49Å; Q212-F214 VanDerWaalsContact C-N 3.26Å; Q212-F214 PolarHBondContact O-N 3.28Å; F214-V217 PolarHBondContact O-N 2.86Å; F214-S218 WeakPolarHBondContact CD1-OG 3.36Å; F214-S218 WeakPolarHBondContact CE1-OG 3.22Å; F214-S218 WeakPolarHBondContact O-CA 3.17Å; F214-S218 VanDerWaalsContact O-CB 3.23Å; F214-S218 WeakPolarHBondContact O-CB 3.49Å; F214-S218 PolarHBondContact O-N 2.94Å; F214-S218 PolarHBondContact O-OG 3.46Å; F214-P222 HydrophobicContact CB-CG 4.07Å; F214-P222 HydrophobicContact CD1-CB 4.41Å; F214-P222 HydrophobicContact CD1-CG 3.85Å; F214-P222 HydrophobicContact CD2-CB 4.33Å; F214-P222 HydrophobicContact CD2-CG 3.99Å; F214-P222 HydrophobicContact CE1-CB 4.37Å; F214-P222 HydrophobicContact CE1-CG 4.29Å; F214-P222 HydrophobicContact CE2-CB 4.26Å; F214-P222 HydrophobicContact CE2-CG 4.4Å; F214-P222 HydrophobicContact CG-CB 4.41Å; F214-P222 HydrophobicContact CG-CG 3.7Å; F214-P222 HydrophobicContact CZ-CB 4.29Å; F214-V225 HydrophobicContact CE1-CB 4.19Å; F214-V225 HydrophobicContact CE1-CG2 3.61Å; F214-V225 HydrophobicContact CZ-CB 3.91Å; F214-V225 HydrophobicContact CZ-CG1 4.26Å; F214-V225 HydrophobicContact CZ-CG2 3.76Å
215R93.8Very high95.3Very high100 Ų10048.6 Ų48.638%0.37728%0.281SS..Hα-helixtrans-66.3-37.6174.6-81.6-172.9-61.5-1041112.7K168 A211 Q212 L213 V217 G219 T220K168-R215 PolarHBondContact NZ-O 3.44Å; A211-R215 WeakPolarHBondContact O-CG 3.43Å; A211-R215 PolarHBondContact O-N 3.16Å; A211-R215 VanDerWaalsContact O-N 3.13Å; Q212-R215 WeakPolarHBondContact O-CB 3.46Å; Q212-R215 PolarHBondContact O-N 2.9Å; L213-R215 PolarHBondContact O-N 3.31Å; R215-V217 VanDerWaalsContact C-N 3.3Å; R215-V217 PolarHBondContact O-N 2.81Å; R215-G219 VanDerWaalsContact O-CA 3.25Å; R215-G219 WeakPolarHBondContact O-CA 3.5Å; R215-G219 PolarHBondContact O-N 2.93Å; R215-T220 VanDerWaalsContact CG-O 3.24Å; R215-T220 WeakPolarHBondContact CG-O 3.39Å
216D92.3Very high95.3Very high90 Ų9047 Ų4748%0.48127%0.274SS..Hα-helixtrans-61.9-43.6178.9-63.2-22000109.9K168 Q212 L213K168-D216 WeakPolarHBondContact CE-O 3.36Å; K168-D216 PolarHBondContact NZ-O 3.33Å; Q212-D216 PolarHBondContact NE2-OD1 3.49Å; Q212-D216 PolarHBondContact O-N 2.95Å; L213-D216 PolarHBondContact O-N 3.09Å
217V91.1Very high95.2Very high32 Ų3246.7 Ų46.719%0.19427%0.269CS..Hα-helixtrans-80.1-40.7179.8-179.40000113.5K168 L173 L179 L213 F214 R215K168-V217 VanDerWaalsContact CB-O 3.27Å; K168-V217 WeakPolarHBondContact CB-O 3.43Å; K168-V217 WeakPolarHBondContact CG-O 3.4Å; L173-V217 HydrophobicContact CD2-CB 3.98Å; L173-V217 HydrophobicContact CD2-CG1 3.69Å; L173-V217 HydrophobicContact CG-CG1 4.31Å; L179-V217 HydrophobicContact CD1-CB 4.02Å; L179-V217 HydrophobicContact CD1-CG1 4.34Å; L179-V217 HydrophobicContact CD1-CG2 3.98Å; L213-V217 HydrophobicContact CD1-CG2 4.22Å; L213-V217 WeakPolarHBondContact O-CG2 3.39Å; L213-V217 PolarHBondContact O-N 2.96Å; F214-V217 PolarHBondContact O-N 2.86Å; R215-V217 VanDerWaalsContact C-N 3.3Å; R215-V217 PolarHBondContact O-N 2.81Å
218S90.2Very high95Very high7 Ų744.6 Ų44.65%0.04926%0.264CS..Hα-helixtrans-106.3-19-170.574.30000115.9K168 F214 T220K168-S218 WeakPolarHBondContact CB-O 3.34Å; F214-S218 WeakPolarHBondContact CD1-OG 3.36Å; F214-S218 WeakPolarHBondContact CE1-OG 3.22Å; F214-S218 WeakPolarHBondContact O-CA 3.17Å; F214-S218 VanDerWaalsContact O-CB 3.23Å; F214-S218 WeakPolarHBondContact O-CB 3.49Å; F214-S218 PolarHBondContact O-N 2.94Å; F214-S218 PolarHBondContact O-OG 3.46Å; S218-T220 PolarHBondContact O-N 3.47Å; S218-T220 PolarHBondContact OG-N 3.42Å; S218-T220 PolarHBondContact OG-O 2.97Å; S218-T220 VanDerWaalsContact OG-O 3.13Å
219G89.9Confident94.8Very high48 Ų4841.2 Ų41.250%0.49524%0.236SC..SBendtrans77.6-0.6-179.800000113.9R215R215-G219 VanDerWaalsContact O-CA 3.25Å; R215-G219 WeakPolarHBondContact O-CA 3.5Å; R215-G219 PolarHBondContact O-N 2.93Å
220T92.6Very high94.8Very high55 Ų5539.8 Ų39.834%0.33722%0.221SC..SBendtrans-140-175.7-175.5-171.50000109.9R215 S218 A224 V225R215-T220 VanDerWaalsContact CG-O 3.24Å; R215-T220 WeakPolarHBondContact CG-O 3.39Å; S218-T220 PolarHBondContact O-N 3.47Å; S218-T220 PolarHBondContact OG-N 3.42Å; S218-T220 PolarHBondContact OG-O 2.97Å; S218-T220 VanDerWaalsContact OG-O 3.13Å; T220-A224 WeakPolarHBondContact OG1-CB 3.49Å; T220-V225 HydrophobicContact CG2-CG2 3.4Å
221T95.3Very high94.7Very high65 Ų6539.9 Ų39.940%0.39922%0.221SC..  trans-92.7154-179.371.60000111.3L223 A224 V225T221-L223 VanDerWaalsContact C-N 3.27Å; T221-L223 PolarHBondContact O-N 3.28Å; T221-A224 PolarHBondContact O-N 3.18Å; T221-A224 VanDerWaalsContact O-N 3.16Å; T221-A224 WeakPolarHBondContact OG1-CB 3.29Å; T221-A224 PolarHBondContact OG1-N 3.19Å; T221-V225 PolarHBondContact O-N 3.28Å; T221-V225 VanDerWaalsContact O-N 3.12Å
222P96.7Very high94.5Very high4 Ų441.4 Ų41.43%0.02623%0.226CC..Hα-helixtrans-53.3-42.7175.6-25.731.8000113.5M186 L199 F210 F214 V225 L226M186-P222 HydrophobicContact CE-CB 4.19Å; L199-P222 HydrophobicContact CD1-CB 3.95Å; F210-P222 HydrophobicContact CD1-CG 4.3Å; F210-P222 HydrophobicContact CE1-CB 3.93Å; F210-P222 HydrophobicContact CE1-CG 3.45Å; F210-P222 VanDerWaalsContact CE1-CG 3.45Å; F210-P222 HydrophobicContact CZ-CB 4.18Å; F210-P222 HydrophobicContact CZ-CG 3.91Å; F214-P222 HydrophobicContact CB-CG 4.07Å; F214-P222 HydrophobicContact CD1-CB 4.41Å; F214-P222 HydrophobicContact CD1-CG 3.85Å; F214-P222 HydrophobicContact CD2-CB 4.33Å; F214-P222 HydrophobicContact CD2-CG 3.99Å; F214-P222 HydrophobicContact CE1-CB 4.37Å; F214-P222 HydrophobicContact CE1-CG 4.29Å; F214-P222 HydrophobicContact CE2-CB 4.26Å; F214-P222 HydrophobicContact CE2-CG 4.4Å; F214-P222 HydrophobicContact CG-CB 4.41Å; F214-P222 HydrophobicContact CG-CG 3.7Å; F214-P222 HydrophobicContact CZ-CB 4.29Å; P222-V225 PolarHBondContact O-N 3.14Å; P222-L226 PolarHBondContact O-N 3.14Å
223L96.2Very high94.5Very high72 Ų7238.4 Ų38.438%0.37721%0.213SC..Hα-helixtrans-73.2-28.6-178.2-61.3-177000112.9V196 L199 T221 L226 T227V196-L223 HydrophobicContact CG2-CD1 4.19Å; V196-L223 HydrophobicContact CG2-CG 4.14Å; L199-L223 HydrophobicContact CD1-CD2 4.49Å; T221-L223 VanDerWaalsContact C-N 3.27Å; T221-L223 PolarHBondContact O-N 3.28Å; L223-L226 HydrophobicContact CD2-CD2 4.34Å; L223-T227 WeakPolarHBondContact O-CB 3.36Å; L223-T227 PolarHBondContact O-N 3.42Å; L223-T227 PolarHBondContact O-OG1 2.71Å
224A95Very high94.5Very high33 Ų3337.2 Ų37.227%0.27321%0.207SC..Hα-helixtrans-68.6-41.317200000111.4T220 T221 T227 K228T220-A224 WeakPolarHBondContact OG1-CB 3.49Å; T221-A224 PolarHBondContact O-N 3.18Å; T221-A224 VanDerWaalsContact O-N 3.16Å; T221-A224 WeakPolarHBondContact OG1-CB 3.29Å; T221-A224 PolarHBondContact OG1-N 3.19Å; A224-T227 WeakPolarHBondContact O-CB 3.25Å; A224-T227 PolarHBondContact O-N 2.99Å; A224-K228 PolarHBondContact O-N 2.9Å; A224-K228 VanDerWaalsContact O-N 3.13Å
225V94.9Very high94.4Very high5 Ų537.4 Ų37.43%0.0321%0.208CC..Hα-helixtrans-63.5-46.1173.2173.40000110.9I170 L173 I183 F214 T220 T221 P222 T227 K228 L229I170-V225 HydrophobicContact CD1-CG1 4.37Å; I170-V225 HydrophobicContact CG1-CG1 4.3Å; L173-V225 HydrophobicContact CD1-CG1 4.29Å; L173-V225 HydrophobicContact CD1-CG2 4.2Å; I183-V225 HydrophobicContact CD1-CG1 4.22Å; F214-V225 HydrophobicContact CE1-CB 4.19Å; F214-V225 HydrophobicContact CE1-CG2 3.61Å; F214-V225 HydrophobicContact CZ-CB 3.91Å; F214-V225 HydrophobicContact CZ-CG1 4.26Å; F214-V225 HydrophobicContact CZ-CG2 3.76Å; T220-V225 HydrophobicContact CG2-CG2 3.4Å; T221-V225 PolarHBondContact O-N 3.28Å; T221-V225 VanDerWaalsContact O-N 3.12Å; P222-V225 PolarHBondContact O-N 3.14Å; V225-T227 VanDerWaalsContact C-N 3.25Å; V225-T227 PolarHBondContact O-N 3.19Å; V225-K228 WeakPolarHBondContact O-CB 3.39Å; V225-K228 PolarHBondContact O-N 2.83Å; V225-K228 VanDerWaalsContact O-N 3.12Å; V225-L229 HydrophobicContact CG1-CD1 4.12Å; V225-L229 HydrophobicContact CG1-CG 4.31Å; V225-L229 WeakPolarHBondContact O-CG 3.37Å; V225-L229 PolarHBondContact O-N 2.93Å
226L96.1Very high94.5Very high5 Ų533.2 Ų33.23%0.02619%0.192CC..Hα-helixtrans-57.3-40.8175.9177.962.3000111.8M186 W194 P222 L223 K228 L229 R230M186-L226 HydrophobicContact CB-CD1 4Å; M186-L226 HydrophobicContact CE-CB 4.2Å; M186-L226 HydrophobicContact CG-CD1 4.03Å; M186-L226 HydrophobicContact SD-CB 4.09Å; M186-L226 HydrophobicContact SD-CD1 4.35Å; W194-L226 HydrophobicContact CB-CD2 3.68Å; W194-L226 HydrophobicContact CG-CD2 4.06Å; P222-L226 PolarHBondContact O-N 3.14Å; L223-L226 HydrophobicContact CD2-CD2 4.34Å; L226-K228 PolarHBondContact O-N 2.92Å; L226-L229 PolarHBondContact O-N 3.17Å; L226-R230 HydrophobicContact CD1-CG 4.16Å; L226-R230 HydrophobicContact CG-CG 4.36Å; L226-R230 WeakPolarHBondContact O-CB 3.35Å; L226-R230 VanDerWaalsContact O-CG 3.23Å; L226-R230 WeakPolarHBondContact O-CG 3.3Å; L226-R230 PolarHBondContact O-N 3.44Å
227T96.1Very high94.7Very high56 Ų5630.2 Ų30.234%0.34418%0.176SC..Hα-helixtrans-59.1-47.7176-59.70000111.1L223 A224 V225 L229 R230 L231L223-T227 WeakPolarHBondContact O-CB 3.36Å; L223-T227 PolarHBondContact O-N 3.42Å; L223-T227 PolarHBondContact O-OG1 2.71Å; A224-T227 WeakPolarHBondContact O-CB 3.25Å; A224-T227 PolarHBondContact O-N 2.99Å; V225-T227 VanDerWaalsContact C-N 3.25Å; V225-T227 PolarHBondContact O-N 3.19Å; T227-L229 PolarHBondContact O-N 3.43Å; T227-R230 PolarHBondContact O-N 3.25Å; T227-L231 HydrophobicContact CG2-CD1 4.15Å; T227-L231 WeakPolarHBondContact O-CG 3.2Å; T227-L231 PolarHBondContact O-N 3.13Å; T227-L231 VanDerWaalsContact O-N 3.07Å
228K93.9Very high94.8Very high106 Ų10628.9 Ų28.946%0.46117%0.168SC..Hα-helixtrans-59.5-47.4176.4-70.3-172.5171.2-165.20112A224 V225 L226 R230 L231 Q232A224-K228 PolarHBondContact O-N 2.9Å; A224-K228 VanDerWaalsContact O-N 3.13Å; V225-K228 WeakPolarHBondContact O-CB 3.39Å; V225-K228 PolarHBondContact O-N 2.83Å; V225-K228 VanDerWaalsContact O-N 3.12Å; L226-K228 PolarHBondContact O-N 2.92Å; K228-R230 PolarHBondContact O-N 3.01Å; K228-L231 PolarHBondContact O-N 3.14Å; K228-Q232 WeakPolarHBondContact O-CB 3.18Å; K228-Q232 WeakPolarHBondContact O-CG 3.41Å; K228-Q232 PolarHBondContact O-N 3.37Å
229L94.9Very high95Very high0 Ų029.3 Ų29.30%017%0.171CC..Hα-helixtrans-58.5-45.1177.7-70.1179.2000112.2I170 M186 L187 V225 L226 T227 L231 Q232 I233I170-L229 HydrophobicContact CD1-CD2 3.63Å; I170-L229 HydrophobicContact CD1-CG 4.21Å; I170-L229 HydrophobicContact CG2-CD2 4.26Å; M186-L229 HydrophobicContact CB-CD1 3.95Å; M186-L229 HydrophobicContact SD-CD1 4.32Å; L187-L229 HydrophobicContact CD2-CD1 4.14Å; L187-L229 HydrophobicContact CD2-CD2 3.58Å; L187-L229 HydrophobicContact CD2-CG 4.33Å; L187-L229 HydrophobicContact CG-CD1 4.11Å; L187-L229 HydrophobicContact CG-CD2 4.34Å; V225-L229 HydrophobicContact CG1-CD1 4.12Å; V225-L229 HydrophobicContact CG1-CG 4.31Å; V225-L229 WeakPolarHBondContact O-CG 3.37Å; V225-L229 PolarHBondContact O-N 2.93Å; L226-L229 PolarHBondContact O-N 3.17Å; T227-L229 PolarHBondContact O-N 3.43Å; L229-L231 PolarHBondContact O-N 2.94Å; L229-Q232 PolarHBondContact O-N 3.46Å; L229-I233 WeakPolarHBondContact O-CB 3.31Å; L229-I233 VanDerWaalsContact O-CG1 3.24Å; L229-I233 WeakPolarHBondContact O-CG1 3.28Å; L229-I233 PolarHBondContact O-N 3.01Å
230R96.9Very high95.2Very high33 Ų3330.4 Ų30.413%0.12516%0.16CC..Hα-helixtrans-60.3-44.1177.7-73.7171.9166.7-166.7-7.6112.2P190 H192 L226 T227 K228 A234 V252 G253 Y254P190-R230 HydrophobicContact CB-CG 4.08Å; P190-R230 VanDerWaalsContact O-CZ 3.24Å; P190-R230 PolarHBondContact O-NE 3.27Å; P190-R230 PolarHBondContact O-NH2 3.09Å; H192-R230 PolarHBondContact O-NH2 2.83Å; L226-R230 HydrophobicContact CD1-CG 4.16Å; L226-R230 HydrophobicContact CG-CG 4.36Å; L226-R230 WeakPolarHBondContact O-CB 3.35Å; L226-R230 VanDerWaalsContact O-CG 3.23Å; L226-R230 WeakPolarHBondContact O-CG 3.3Å; L226-R230 PolarHBondContact O-N 3.44Å; T227-R230 PolarHBondContact O-N 3.25Å; K228-R230 PolarHBondContact O-N 3.01Å; R230-A234 WeakPolarHBondContact O-CB 3.48Å; R230-A234 PolarHBondContact O-N 2.87Å; R230-V252 HydrophobicContact CB-CB 4.1Å; R230-V252 HydrophobicContact CB-CG2 4.24Å; R230-V252 WeakPolarHBondContact CD-O 3.39Å; R230-V252 HydrophobicContact CG-CB 4.33Å; R230-V252 WeakPolarHBondContact CG-O 3.32Å; R230-V252 PolarHBondContact NE-O 3.43Å; R230-G253 PolarHBondContact NH1-O 3.28Å; R230-Y254 HydrophobicContact CB-CE2 4.13Å
231L96.1Very high95.2Very high2 Ų231.7 Ų31.71%0.0116%0.162CC..Hα-helixtrans-69.2-40.3179.8-67.3177.4000111.9T227 K228 L229 A234 A235 Y254 F260 A263 F264 E267 F268T227-L231 HydrophobicContact CG2-CD1 4.15Å; T227-L231 WeakPolarHBondContact O-CG 3.2Å; T227-L231 PolarHBondContact O-N 3.13Å; T227-L231 VanDerWaalsContact O-N 3.07Å; K228-L231 PolarHBondContact O-N 3.14Å; L229-L231 PolarHBondContact O-N 2.94Å; L231-A234 PolarHBondContact O-N 2.99Å; L231-A235 WeakPolarHBondContact O-CB 3.48Å; L231-A235 PolarHBondContact O-N 3.29Å; L231-Y254 HydrophobicContact CD2-CE2 4.37Å; L231-F260 HydrophobicContact CD2-CD2 4.23Å; L231-F260 HydrophobicContact CD2-CE2 3.95Å; L231-A263 HydrophobicContact CD1-CB 4.1Å; L231-A263 WeakPolarHBondContact CD1-O 3.3Å; L231-A263 HydrophobicContact CD2-CB 4.12Å; L231-F264 HydrophobicContact CD2-CB 4.15Å; L231-F264 HydrophobicContact CD2-CD2 4.06Å; L231-E267 HydrophobicContact CB-CG 4.42Å; L231-E267 HydrophobicContact CD1-CB 3.6Å; L231-E267 HydrophobicContact CD1-CG 4.01Å; L231-F268 HydrophobicContact CB-CE2 3.98Å; L231-F268 WeakPolarHBondContact O-CE2 3.46Å
232Q94.2Very high95Very high46 Ų4637.5 Ų37.522%0.21519%0.187CC..Hα-helixtrans-61.6-47.6173.3-74.1177.3-37.900111.8K228 L229 A234 A235 Q236K228-Q232 WeakPolarHBondContact O-CB 3.18Å; K228-Q232 WeakPolarHBondContact O-CG 3.41Å; K228-Q232 PolarHBondContact O-N 3.37Å; L229-Q232 PolarHBondContact O-N 3.46Å; Q232-A234 VanDerWaalsContact C-N 3.31Å; Q232-A234 PolarHBondContact O-N 2.88Å; Q232-A235 WeakPolarHBondContact O-CB 3.4Å; Q232-A235 PolarHBondContact O-N 2.91Å; Q232-Q236 WeakPolarHBondContact O-CG 3.45Å; Q232-Q236 PolarHBondContact O-N 3.43Å
233I95.5Very high95Very high23 Ų2340.4 Ų40.412%0.11820%0.202CC..Hα-helixtrans-61.6-41.5176.6-68.1166.5000110.4L187 P190 L229 A235 Q236 M237 V252L187-I233 HydrophobicContact CD2-CD1 4.49Å; P190-I233 HydrophobicContact CB-CD1 3.89Å; P190-I233 HydrophobicContact CG-CD1 3.89Å; P190-I233 HydrophobicContact CG-CG2 4.48Å; L229-I233 WeakPolarHBondContact O-CB 3.31Å; L229-I233 VanDerWaalsContact O-CG1 3.24Å; L229-I233 WeakPolarHBondContact O-CG1 3.28Å; L229-I233 PolarHBondContact O-N 3.01Å; I233-A235 PolarHBondContact O-N 3.13Å; I233-Q236 WeakPolarHBondContact O-CB 3.41Å; I233-Q236 PolarHBondContact O-N 3.43Å; I233-M237 HydrophobicContact CG2-SD 4.29Å; I233-M237 WeakPolarHBondContact O-CG 3.26Å; I233-M237 PolarHBondContact O-N 3.4Å; I233-V252 HydrophobicContact CB-CG1 4.42Å; I233-V252 HydrophobicContact CG2-CG1 4.01Å
234A96.4Very high94.9Very high0 Ų040.3 Ų40.30%021%0.205CC..Hα-helixtrans-61.6-42.6175.100000112.6R230 L231 Q232 Q236 M237 F238 I248 V252 F260R230-A234 WeakPolarHBondContact O-CB 3.48Å; R230-A234 PolarHBondContact O-N 2.87Å; L231-A234 PolarHBondContact O-N 2.99Å; Q232-A234 VanDerWaalsContact C-N 3.31Å; Q232-A234 PolarHBondContact O-N 2.88Å; A234-Q236 VanDerWaalsContact C-N 3.33Å; A234-Q236 PolarHBondContact O-N 2.8Å; A234-M237 PolarHBondContact O-N 3.24Å; A234-F238 HydrophobicContact CB-CE2 4.35Å; A234-F238 WeakPolarHBondContact O-CD2 3.38Å; A234-F238 WeakPolarHBondContact O-CG 3.35Å; A234-F238 PolarHBondContact O-N 2.64Å; A234-I248 HydrophobicContact CB-CG2 3.77Å; A234-V252 HydrophobicContact CB-CG1 4.22Å; A234-V252 HydrophobicContact CB-CG2 4.21Å; A234-F260 HydrophobicContact CB-CE2 3.78Å; A234-F260 HydrophobicContact CB-CZ 3.78Å
235A95.3Very high94.9Very high3 Ų340.1 Ų40.13%0.02520%0.201CC..Hα-helixtrans-62.5-39.5174.700000112.2L231 Q232 I233 M237 F238 S239 F264 F268 Y275L231-A235 WeakPolarHBondContact O-CB 3.48Å; L231-A235 PolarHBondContact O-N 3.29Å; Q232-A235 WeakPolarHBondContact O-CB 3.4Å; Q232-A235 PolarHBondContact O-N 2.91Å; I233-A235 PolarHBondContact O-N 3.13Å; A235-M237 VanDerWaalsContact C-N 3.34Å; A235-M237 PolarHBondContact O-N 2.94Å; A235-F238 PolarHBondContact O-N 3.43Å; A235-S239 PolarHBondContact O-N 2.9Å; A235-S239 VanDerWaalsContact O-N 3.1Å; A235-S239 PolarHBondContact O-OG 2.99Å; A235-F264 HydrophobicContact CB-CE2 4.27Å; A235-F264 HydrophobicContact CB-CZ 4.33Å; A235-F268 HydrophobicContact CB-CE1 4.06Å; A235-F268 HydrophobicContact CB-CE2 3.94Å; A235-F268 HydrophobicContact CB-CZ 3.49Å; A235-F268 VanDerWaalsContact CB-CZ 3.49Å; A235-Y275 HydrophobicContact CB-CE1 4.09Å; A235-Y275 HydrophobicContact CB-CE2 4.4Å
236Q94.9Very high94.9Very high12 Ų1242.5 Ų42.56%0.05622%0.215CC..Hα-helixtrans-61.8-41173.5-69.5171.5-2.400111.9L36 T103 Q232 I233 A234 S239 R240L36-Q236 HydrophobicContact CD2-CB 4.38Å; L36-Q236 HydrophobicContact CD2-CG 4.02Å; T103-Q236 PolarHBondContact OG1-NE2 2.76Å; T103-Q236 VanDerWaalsContact OG1-NE2 3.17Å; Q232-Q236 WeakPolarHBondContact O-CG 3.45Å; Q232-Q236 PolarHBondContact O-N 3.43Å; I233-Q236 WeakPolarHBondContact O-CB 3.41Å; I233-Q236 PolarHBondContact O-N 3.43Å; A234-Q236 VanDerWaalsContact C-N 3.33Å; A234-Q236 PolarHBondContact O-N 2.8Å; Q236-S239 PolarHBondContact O-N 2.88Å; Q236-R240 WeakPolarHBondContact O-CD 3.28Å; Q236-R240 WeakPolarHBondContact O-CG 3.34Å; Q236-R240 PolarHBondContact O-N 2.94Å; Q236-R240 PolarHBondContact O-NH1 3.09Å; Q236-R240 VanDerWaalsContact O-NH1 3.12Å
237M95.7Very high94.9Very high28 Ų2845.1 Ų45.114%0.13823%0.231CC..Hα-helixtrans-67-45.2175.8-67.4175.680.600111.5I233 A234 A235 S239 R240 E241 L243 I248 V252I233-M237 HydrophobicContact CG2-SD 4.29Å; I233-M237 WeakPolarHBondContact O-CG 3.26Å; I233-M237 PolarHBondContact O-N 3.4Å; A234-M237 PolarHBondContact O-N 3.24Å; A235-M237 VanDerWaalsContact C-N 3.34Å; A235-M237 PolarHBondContact O-N 2.94Å; M237-S239 PolarHBondContact O-N 3.37Å; M237-S239 VanDerWaalsContact O-N 3.13Å; M237-R240 PolarHBondContact O-N 3.49Å; M237-E241 WeakPolarHBondContact CE-OE2 3.11Å; M237-E241 WeakPolarHBondContact O-CB 3.27Å; M237-E241 PolarHBondContact O-N 2.9Å; M237-L243 HydrophobicContact CE-CD1 4.24Å; M237-I248 HydrophobicContact CB-CD1 4.01Å; M237-I248 HydrophobicContact CB-CG1 4.26Å; M237-I248 HydrophobicContact CB-CG2 4.16Å; M237-I248 HydrophobicContact CE-CG1 4.06Å; M237-I248 HydrophobicContact SD-CG2 4.09Å; M237-V252 HydrophobicContact SD-CG1 4.29Å
238F94.7Very high94.9Very high4 Ų442.4 Ų42.42%0.01822%0.215CC..Hα-helixtrans-58.2-27.9175-70.2-44.5000113.4A234 A235 V245 I248 F260 F264 P272 Y275 R276A234-F238 HydrophobicContact CB-CE2 4.35Å; A234-F238 WeakPolarHBondContact O-CD2 3.38Å; A234-F238 WeakPolarHBondContact O-CG 3.35Å; A234-F238 PolarHBondContact O-N 2.64Å; A235-F238 PolarHBondContact O-N 3.43Å; F238-V245 HydrophobicContact CE1-CB 4.43Å; F238-V245 HydrophobicContact CE1-CG2 3.96Å; F238-V245 HydrophobicContact CZ-CG1 4.22Å; F238-V245 HydrophobicContact CZ-CG2 4.3Å; F238-I248 HydrophobicContact CD1-CD1 3.36Å; F238-I248 HydrophobicContact CE1-CB 4Å; F238-I248 HydrophobicContact CE1-CD1 3.38Å; F238-I248 HydrophobicContact CE1-CG1 4.24Å; F238-I248 HydrophobicContact CE1-CG2 3.98Å; F238-I248 HydrophobicContact CE2-CG2 4.38Å; F238-I248 HydrophobicContact CG-CD1 4.31Å; F238-I248 HydrophobicContact CZ-CB 4.23Å; F238-I248 HydrophobicContact CZ-CD1 4.35Å; F238-I248 HydrophobicContact CZ-CG2 3.88Å; F238-F260 HydrophobicContact CE2-CE1 4.01Å; F238-F260 AromaticContact CE2-CZ 3.76Å; F238-F260 HydrophobicContact CE2-CZ 3.76Å; F238-F260 AromaticContact CZ-CE1 3.8Å; F238-F260 HydrophobicContact CZ-CE1 3.8Å; F238-F260 AromaticContact CZ-CZ 3.86Å; F238-F260 HydrophobicContact CZ-CZ 3.86Å; F238-F264 AromaticContact CD2-CE2 3.86Å; F238-F264 HydrophobicContact CD2-CE2 3.86Å; F238-F264 AromaticContact CD2-CZ 3.93Å; F238-F264 HydrophobicContact CD2-CZ 3.93Å; F238-F264 HydrophobicContact CE2-CD2 4.19Å; F238-F264 AromaticContact CE2-CE2 3.64Å; F238-F264 HydrophobicContact CE2-CE2 3.64Å; F238-F264 HydrophobicContact CE2-CZ 4.01Å; F238-P272 HydrophobicContact CE2-CB 3.86Å; F238-P272 HydrophobicContact CZ-CB 3.78Å; F238-Y275 HydrophobicContact CB-CD1 3.96Å; F238-Y275 HydrophobicContact CB-CE1 4.2Å; F238-Y275 HydrophobicContact CD2-CD1 4.34Å; F238-R276 VanDerWaalsContact CD1-NH2 3.26Å; F238-R276 VanDerWaalsContact CE1-NH2 3.3Å
239S93.4Very high95.1Very high16 Ų1637.5 Ų37.511%0.11219%0.194CC..THydrogen-bonded Turntrans-82.4-14.2179.1-55.70000114.1A235 Q236 M237A235-S239 PolarHBondContact O-N 2.9Å; A235-S239 VanDerWaalsContact O-N 3.1Å; A235-S239 PolarHBondContact O-OG 2.99Å; Q236-S239 PolarHBondContact O-N 2.88Å; M237-S239 PolarHBondContact O-N 3.37Å; M237-S239 VanDerWaalsContact O-N 3.13Å
240R93.7Very high95.2Very high71 Ų7143.3 Ų43.327%0.26822%0.221SC..THydrogen-bonded Turntrans-129.7-17.3-167.4-68.3172.3177.577.93.2114.5A33 G34 Q71 N72 Q236 M237A33-R240 HydrophobicContact CB-CG 4.13Å; G34-R240 VanDerWaalsContact O-CZ 3.27Å; G34-R240 PolarHBondContact O-NE 2.93Å; G34-R240 PolarHBondContact O-NH2 2.91Å; Q71-R240 PolarHBondContact O-NH2 3.03Å; N72-R240 PolarHBondContact O-NH2 2.95Å; Q236-R240 WeakPolarHBondContact O-CD 3.28Å; Q236-R240 WeakPolarHBondContact O-CG 3.34Å; Q236-R240 PolarHBondContact O-N 2.94Å; Q236-R240 PolarHBondContact O-NH1 3.09Å; Q236-R240 VanDerWaalsContact O-NH1 3.12Å; M237-R240 PolarHBondContact O-N 3.49Å
241E93.5Very high95.2Very high81 Ų8144.2 Ų44.238%0.37923%0.232SC..  trans-130.4149-171.5-58.9177.3-152.900110.8M237 L243M237-E241 WeakPolarHBondContact CE-OE2 3.11Å; M237-E241 WeakPolarHBondContact O-CB 3.27Å; M237-E241 PolarHBondContact O-N 2.9Å; E241-L243 VanDerWaalsContact C-N 3.31Å; E241-L243 HydrophobicContact CB-CG 4.26Å; E241-L243 WeakPolarHBondContact OE2-CD1 3.26Å
242M91.8Very high95.2Very high187 Ų18744.1 Ų44.192%0.92123%0.232SC*.  trans-94.118.1177.1-66.5-176.2-75.600112.9
243L95.3Very high95.4Very high65 Ų6543 Ų4334%0.3423%0.233SC..  trans-65.7149.9-177.9-64.5-176.2000112.1M237 E241 V247 I248 R276M237-L243 HydrophobicContact CE-CD1 4.24Å; E241-L243 VanDerWaalsContact C-N 3.31Å; E241-L243 HydrophobicContact CB-CG 4.26Å; E241-L243 WeakPolarHBondContact OE2-CD1 3.26Å; L243-V247 HydrophobicContact CD1-CG1 4.1Å; L243-I248 HydrophobicContact CB-CD1 4.01Å; L243-I248 HydrophobicContact CB-CG1 3.9Å; L243-I248 HydrophobicContact CD1-CG1 4.47Å; L243-R276 VanDerWaalsContact O-CZ 3.26Å; L243-R276 PolarHBondContact O-NH1 2.93Å; L243-R276 PolarHBondContact O-NH2 2.82Å
244P94.6Very high95.5Very high70 Ų7043.2 Ų43.246%0.45523%0.232SC..  trans-59.2151.2171.5-23.734.4000112.6V246 V247 I248P244-V246 VanDerWaalsContact C-N 3.29Å; P244-V246 HydrophobicContact CB-CG1 4.08Å; P244-V246 PolarHBondContact O-N 3.4Å; P244-V247 HydrophobicContact CB-CG2 4.12Å; P244-V247 HydrophobicContact CG-CG2 4.1Å; P244-V247 PolarHBondContact O-N 2.94Å; P244-V247 VanDerWaalsContact O-N 3.16Å; P244-I248 PolarHBondContact O-N 3.4Å
245V94.2Very high95.1Very high29 Ų2948.5 Ų48.518%0.17628%0.276CS..Hα-helixtrans-56.9-43.4179.4173.50000111.6F238 V247 I248 A249 E257 F260 P272F238-V245 HydrophobicContact CE1-CB 4.43Å; F238-V245 HydrophobicContact CE1-CG2 3.96Å; F238-V245 HydrophobicContact CZ-CG1 4.22Å; F238-V245 HydrophobicContact CZ-CG2 4.3Å; V245-V247 VanDerWaalsContact C-N 3.34Å; V245-V247 PolarHBondContact O-N 3Å; V245-I248 PolarHBondContact O-N 2.98Å; V245-A249 WeakPolarHBondContact O-CB 3.21Å; V245-A249 PolarHBondContact O-N 2.79Å; V245-E257 HydrophobicContact CG1-CG 4.47Å; V245-F260 HydrophobicContact CG1-CD1 4.24Å; V245-F260 HydrophobicContact CG1-CE1 4.05Å; V245-P272 HydrophobicContact CG1-CB 3.91Å; V245-P272 HydrophobicContact CG1-CG 4.28Å; V245-P272 HydrophobicContact CG2-CB 4.15Å
246V95.1Very high94.9Very high56 Ų5650.9 Ų50.934%0.33929%0.292SS..Hα-helixtrans-58.1-42.6177.464.90000112.7P244 I248 A249 E250P244-V246 VanDerWaalsContact C-N 3.29Å; P244-V246 HydrophobicContact CB-CG1 4.08Å; P244-V246 PolarHBondContact O-N 3.4Å; V246-I248 PolarHBondContact O-N 3.11Å; V246-A249 PolarHBondContact O-N 3.37Å; V246-E250 WeakPolarHBondContact O-CB 3.47Å; V246-E250 WeakPolarHBondContact O-CG 3.4Å; V246-E250 PolarHBondContact O-N 2.74Å
247V96.6Very high94.8Very high59 Ų5955.3 Ų55.336%0.35831%0.313SS..Hα-helixtrans-65.8-42.5-179.71770000110.8L243 P244 V245 S251L243-V247 HydrophobicContact CD1-CG1 4.1Å; P244-V247 HydrophobicContact CB-CG2 4.12Å; P244-V247 HydrophobicContact CG-CG2 4.1Å; P244-V247 PolarHBondContact O-N 2.94Å; P244-V247 VanDerWaalsContact O-N 3.16Å; V245-V247 VanDerWaalsContact C-N 3.34Å; V245-V247 PolarHBondContact O-N 3Å; V247-S251 WeakPolarHBondContact O-CB 3.23Å; V247-S251 PolarHBondContact O-N 3.02Å; V247-S251 PolarHBondContact O-OG 2.93Å
248I96.9Very high94.7Very high0 Ų058 Ų580%034%0.335CS..Hα-helixtrans-66.6-41.7176.7-68.6172.8000110.8A234 M237 F238 L243 P244 V245 V246 E250 S251 V252A234-I248 HydrophobicContact CB-CG2 3.77Å; M237-I248 HydrophobicContact CB-CD1 4.01Å; M237-I248 HydrophobicContact CB-CG1 4.26Å; M237-I248 HydrophobicContact CB-CG2 4.16Å; M237-I248 HydrophobicContact CE-CG1 4.06Å; M237-I248 HydrophobicContact SD-CG2 4.09Å; F238-I248 HydrophobicContact CD1-CD1 3.36Å; F238-I248 HydrophobicContact CE1-CB 4Å; F238-I248 HydrophobicContact CE1-CD1 3.38Å; F238-I248 HydrophobicContact CE1-CG1 4.24Å; F238-I248 HydrophobicContact CE1-CG2 3.98Å; F238-I248 HydrophobicContact CE2-CG2 4.38Å; F238-I248 HydrophobicContact CG-CD1 4.31Å; F238-I248 HydrophobicContact CZ-CB 4.23Å; F238-I248 HydrophobicContact CZ-CD1 4.35Å; F238-I248 HydrophobicContact CZ-CG2 3.88Å; L243-I248 HydrophobicContact CB-CD1 4.01Å; L243-I248 HydrophobicContact CB-CG1 3.9Å; L243-I248 HydrophobicContact CD1-CG1 4.47Å; P244-I248 PolarHBondContact O-N 3.4Å; V245-I248 PolarHBondContact O-N 2.98Å; V246-I248 PolarHBondContact O-N 3.11Å; I248-E250 PolarHBondContact O-N 3.33Å; I248-S251 WeakPolarHBondContact CA-OG 3.44Å; I248-S251 PolarHBondContact O-N 3Å; I248-S251 PolarHBondContact O-OG 3.21Å; I248-V252 WeakPolarHBondContact O-CG2 3.02Å; I248-V252 PolarHBondContact O-N 3.4Å
249A97.3Very high94.8Very high2 Ų260.2 Ų60.22%0.01735%0.351CS..Hα-helixtrans-61.3-45177.800000111.8V245 V246 V252 G253 Y254 F260V245-A249 WeakPolarHBondContact O-CB 3.21Å; V245-A249 PolarHBondContact O-N 2.79Å; V246-A249 PolarHBondContact O-N 3.37Å; A249-V252 WeakPolarHBondContact O-CG2 3.36Å; A249-V252 PolarHBondContact O-N 3Å; A249-G253 PolarHBondContact O-N 3.09Å; A249-Y254 WeakPolarHBondContact O-CB 3.38Å; A249-Y254 PolarHBondContact O-N 3.34Å; A249-F260 HydrophobicContact CB-CB 3.77Å; A249-F260 HydrophobicContact CB-CD1 3.64Å; A249-F260 HydrophobicContact CB-CD2 3.96Å; A249-F260 HydrophobicContact CB-CE1 4.2Å; A249-F260 HydrophobicContact CB-CE2 4.48Å; A249-F260 HydrophobicContact CB-CG 3.5Å; A249-F260 VanDerWaalsContact CB-CG 3.5Å
250E97Very high95Very high123 Ų12359.5 Ų59.558%0.57535%0.345SS*.Hα-helixtrans-64.9-43.6176.4-73.9175.9178.400111.7V246 I248 V252 G253V246-E250 WeakPolarHBondContact O-CB 3.47Å; V246-E250 WeakPolarHBondContact O-CG 3.4Å; V246-E250 PolarHBondContact O-N 2.74Å; I248-E250 PolarHBondContact O-N 3.33Å; E250-V252 PolarHBondContact O-N 3Å; E250-G253 PolarHBondContact O-N 2.84Å
251S96.6Very high95.2Very high52 Ų5259.8 Ų59.836%0.36435%0.35SS..Hα-helixtrans-64.6-27-178.769.70000113.3G191 V247 I248G191-S251 WeakPolarHBondContact CA-O 3.4Å; G191-S251 PolarHBondContact N-O 3.38Å; V247-S251 WeakPolarHBondContact O-CB 3.23Å; V247-S251 PolarHBondContact O-N 3.02Å; V247-S251 PolarHBondContact O-OG 2.93Å; I248-S251 WeakPolarHBondContact CA-OG 3.44Å; I248-S251 PolarHBondContact O-N 3Å; I248-S251 PolarHBondContact O-OG 3.21Å
252V97.3Very high95.3Very high0 Ų063.4 Ų63.40%036%0.364CS..THydrogen-bonded Turntrans-95.38.7173-51.70000113.1R230 I233 A234 M237 I248 A249 E250 Y254 F260R230-V252 HydrophobicContact CB-CB 4.1Å; R230-V252 HydrophobicContact CB-CG2 4.24Å; R230-V252 WeakPolarHBondContact CD-O 3.39Å; R230-V252 HydrophobicContact CG-CB 4.33Å; R230-V252 WeakPolarHBondContact CG-O 3.32Å; R230-V252 PolarHBondContact NE-O 3.43Å; I233-V252 HydrophobicContact CB-CG1 4.42Å; I233-V252 HydrophobicContact CG2-CG1 4.01Å; A234-V252 HydrophobicContact CB-CG1 4.22Å; A234-V252 HydrophobicContact CB-CG2 4.21Å; M237-V252 HydrophobicContact SD-CG1 4.29Å; I248-V252 WeakPolarHBondContact O-CG2 3.02Å; I248-V252 PolarHBondContact O-N 3.4Å; A249-V252 WeakPolarHBondContact O-CG2 3.36Å; A249-V252 PolarHBondContact O-N 3Å; E250-V252 PolarHBondContact O-N 3Å; V252-Y254 HydrophobicContact CG2-CD2 3.87Å; V252-Y254 HydrophobicContact CG2-CE2 4.19Å; V252-F260 HydrophobicContact CG2-CD2 4.49Å; V252-F260 HydrophobicContact CG2-CE2 4.18Å
253G97.3Very high95.6Very high23 Ų2355.5 Ų55.524%0.23733%0.329CS..THydrogen-bonded Turntrans9126.116500000115.4R230 A249 E250R230-G253 PolarHBondContact NH1-O 3.28Å; A249-G253 PolarHBondContact O-N 3.09Å; E250-G253 PolarHBondContact O-N 2.84Å
254Y97Very high95.7Very high27 Ų2752.4 Ų52.411%0.10631%0.312CS..  trans-94.7123.5168.6-75.1-103.2000110.7R230 L231 A249 V252 S256 F260 A263R230-Y254 HydrophobicContact CB-CE2 4.13Å; L231-Y254 HydrophobicContact CD2-CE2 4.37Å; A249-Y254 WeakPolarHBondContact O-CB 3.38Å; A249-Y254 PolarHBondContact O-N 3.34Å; V252-Y254 HydrophobicContact CG2-CD2 3.87Å; V252-Y254 HydrophobicContact CG2-CE2 4.19Å; Y254-S256 PolarHBondContact O-N 3.34Å; Y254-F260 VanDerWaalsContact CD1-CA 3.4Å; Y254-F260 HydrophobicContact CD1-CB 3.8Å; Y254-F260 HydrophobicContact CD1-CD2 4.37Å; Y254-F260 HydrophobicContact CD2-CB 4.41Å; Y254-F260 AromaticContact CD2-CD2 3.69Å; Y254-F260 HydrophobicContact CD2-CD2 3.69Å; Y254-F260 HydrophobicContact CE1-CB 4.43Å; Y254-F260 AromaticContact CE2-CD2 3.88Å; Y254-F260 HydrophobicContact CE2-CD2 3.88Å; Y254-F260 HydrophobicContact CG-CB 3.78Å; Y254-F260 AromaticContact CG-CD2 3.94Å; Y254-F260 HydrophobicContact CG-CD2 3.94Å; Y254-F260 HydrophobicContact CG-CG 4.35Å; Y254-A263 HydrophobicContact CE1-CB 3.83Å; Y254-A263 WeakPolarHBondContact OH-CB 3.3Å
255A88.7Confident95.8Very high110 Ų11051.6 Ų51.691%0.90931%0.306SS*.SBendtrans-75.2-9.4178.700000114.2
256S92Very high95.9Very high53 Ų5361 Ų6137%0.37134%0.338SS..  trans-148.4142.6177.677.30000111.2Y254 S258 S259 F260Y254-S256 PolarHBondContact O-N 3.34Å; S256-S258 PolarHBondContact O-N 3.34Å; S256-S259 PolarHBondContact O-N 3.48Å; S256-S259 PolarHBondContact O-OG 3.14Å; S256-S259 WeakPolarHBondContact OG-CB 3.26Å; S256-S259 PolarHBondContact OG-N 3.5Å; S256-S259 VanDerWaalsContact OG-N 3.1Å; S256-S259 PolarHBondContact OG-OG 3.38Å; S256-F260 PolarHBondContact O-N 3.42Å; S256-F260 VanDerWaalsContact O-N 3.16Å
257E91.9Very high95.8Very high106 Ų10662 Ų6250%0.49534%0.34SS..Hα-helixtrans-61.9-32.9175.2-164.4174.1-150.100111.7V245 F260 H261V245-E257 HydrophobicContact CG1-CG 4.47Å; E257-F260 PolarHBondContact O-N 3.08Å; E257-H261 VanDerWaalsContact O-CB 3.23Å; E257-H261 WeakPolarHBondContact O-CB 3.43Å; E257-H261 PolarHBondContact O-N 3.35Å
258S94.6Very high95.6Very high85 Ų8560.7 Ų60.759%0.59433%0.329SS*.Hα-helixtrans-64.1-41.6177.2-69.80000113.4S256 K262S256-S258 PolarHBondContact O-N 3.34Å; S258-K262 WeakPolarHBondContact O-CG 3.4Å; S258-K262 PolarHBondContact O-N 2.94Å
259S95.7Very high95.5Very high50 Ų5063.8 Ų63.835%0.3536%0.361SS..Hα-helixtrans-72.1-37.6177.359.70000111.6S256 A263S256-S259 PolarHBondContact O-N 3.48Å; S256-S259 PolarHBondContact O-OG 3.14Å; S256-S259 WeakPolarHBondContact OG-CB 3.26Å; S256-S259 PolarHBondContact OG-N 3.5Å; S256-S259 VanDerWaalsContact OG-N 3.1Å; S256-S259 PolarHBondContact OG-OG 3.38Å; S259-A263 WeakPolarHBondContact O-CB 3.44Å; S259-A263 PolarHBondContact O-N 3.26Å; S259-A263 VanDerWaalsContact O-N 3.16Å
260F97.9Very high95.3Very high0 Ų063.8 Ų63.80%036%0.361CS..Hα-helixtrans-61.6-50.9173.3177.5-107000111.5L231 A234 F238 V245 A249 V252 Y254 S256 E257 K262 A263 F264 P272L231-F260 HydrophobicContact CD2-CD2 4.23Å; L231-F260 HydrophobicContact CD2-CE2 3.95Å; A234-F260 HydrophobicContact CB-CE2 3.78Å; A234-F260 HydrophobicContact CB-CZ 3.78Å; F238-F260 HydrophobicContact CE2-CE1 4.01Å; F238-F260 AromaticContact CE2-CZ 3.76Å; F238-F260 HydrophobicContact CE2-CZ 3.76Å; F238-F260 AromaticContact CZ-CE1 3.8Å; F238-F260 HydrophobicContact CZ-CE1 3.8Å; F238-F260 AromaticContact CZ-CZ 3.86Å; F238-F260 HydrophobicContact CZ-CZ 3.86Å; V245-F260 HydrophobicContact CG1-CD1 4.24Å; V245-F260 HydrophobicContact CG1-CE1 4.05Å; A249-F260 HydrophobicContact CB-CB 3.77Å; A249-F260 HydrophobicContact CB-CD1 3.64Å; A249-F260 HydrophobicContact CB-CD2 3.96Å; A249-F260 HydrophobicContact CB-CE1 4.2Å; A249-F260 HydrophobicContact CB-CE2 4.48Å; A249-F260 HydrophobicContact CB-CG 3.5Å; A249-F260 VanDerWaalsContact CB-CG 3.5Å; V252-F260 HydrophobicContact CG2-CD2 4.49Å; V252-F260 HydrophobicContact CG2-CE2 4.18Å; Y254-F260 VanDerWaalsContact CD1-CA 3.4Å; Y254-F260 HydrophobicContact CD1-CB 3.8Å; Y254-F260 HydrophobicContact CD1-CD2 4.37Å; Y254-F260 HydrophobicContact CD2-CB 4.41Å; Y254-F260 AromaticContact CD2-CD2 3.69Å; Y254-F260 HydrophobicContact CD2-CD2 3.69Å; Y254-F260 HydrophobicContact CE1-CB 4.43Å; Y254-F260 AromaticContact CE2-CD2 3.88Å; Y254-F260 HydrophobicContact CE2-CD2 3.88Å; Y254-F260 HydrophobicContact CG-CB 3.78Å; Y254-F260 AromaticContact CG-CD2 3.94Å; Y254-F260 HydrophobicContact CG-CD2 3.94Å; Y254-F260 HydrophobicContact CG-CG 4.35Å; S256-F260 PolarHBondContact O-N 3.42Å; S256-F260 VanDerWaalsContact O-N 3.16Å; E257-F260 PolarHBondContact O-N 3.08Å; F260-K262 PolarHBondContact O-N 3.44Å; F260-A263 PolarHBondContact O-N 3Å; F260-A263 VanDerWaalsContact O-N 3.13Å; F260-F264 HydrophobicContact CE1-CD2 4.22Å; F260-F264 HydrophobicContact CE2-CD2 4.11Å; F260-F264 HydrophobicContact CZ-CB 4.47Å; F260-F264 AromaticContact CZ-CD2 3.61Å; F260-F264 HydrophobicContact CZ-CD2 3.61Å; F260-F264 HydrophobicContact CZ-CE2 4.28Å; F260-F264 HydrophobicContact CZ-CG 4.33Å; F260-F264 WeakPolarHBondContact O-CB 3.47Å; F260-F264 PolarHBondContact O-N 3.22Å; F260-P272 HydrophobicContact CD1-CG 4.14Å; F260-P272 HydrophobicContact CE1-CB 4.17Å; F260-P272 HydrophobicContact CE1-CG 3.63Å
261H97.1Very high95.2Very high77 Ų7759.8 Ų59.836%0.35635%0.345SS..Hα-helixtrans-55.8-48.4-179.6-175.8-80.5000112.1E257 A263 F264 V265 T271E257-H261 VanDerWaalsContact O-CB 3.23Å; E257-H261 WeakPolarHBondContact O-CB 3.43Å; E257-H261 PolarHBondContact O-N 3.35Å; H261-A263 VanDerWaalsContact C-N 3.34Å; H261-A263 PolarHBondContact O-N 2.67Å; H261-F264 PolarHBondContact O-N 3.29Å; H261-V265 VanDerWaalsContact O-CG2 3.31Å; H261-V265 WeakPolarHBondContact O-CG2 3.17Å; H261-V265 PolarHBondContact O-N 2.9Å; H261-T271 VanDerWaalsContact NE2-CG2 3.28Å; H261-T271 WeakPolarHBondContact NE2-CG2 3.41Å
262K97.1Very high95.1Very high158 Ų15857.5 Ų57.569%0.68733%0.329SS*.Hα-helixtrans-61.1-42.2177.9-72175.6-175.7178.90112.2S258 F260 R266S258-K262 WeakPolarHBondContact O-CG 3.4Å; S258-K262 PolarHBondContact O-N 2.94Å; F260-K262 PolarHBondContact O-N 3.44Å; K262-R266 WeakPolarHBondContact O-CB 3.33Å; K262-R266 PolarHBondContact O-N 3.26Å; K262-R266 VanDerWaalsContact O-N 3.16Å
263A97.1Very high94.9Very high21 Ų2159.5 Ų59.517%0.17435%0.35CS..Hα-helixtrans-68.1-42.1178.900000111.5L231 Y254 S259 F260 H261 R266 E267L231-A263 HydrophobicContact CD1-CB 4.1Å; L231-A263 WeakPolarHBondContact CD1-O 3.3Å; L231-A263 HydrophobicContact CD2-CB 4.12Å; Y254-A263 HydrophobicContact CE1-CB 3.83Å; Y254-A263 WeakPolarHBondContact OH-CB 3.3Å; S259-A263 WeakPolarHBondContact O-CB 3.44Å; S259-A263 PolarHBondContact O-N 3.26Å; S259-A263 VanDerWaalsContact O-N 3.16Å; F260-A263 PolarHBondContact O-N 3Å; F260-A263 VanDerWaalsContact O-N 3.13Å; H261-A263 VanDerWaalsContact C-N 3.34Å; H261-A263 PolarHBondContact O-N 2.67Å; A263-R266 PolarHBondContact O-N 3.27Å; A263-E267 PolarHBondContact O-N 3.35Å; A263-E267 VanDerWaalsContact O-N 3.09Å
264F97.4Very high94.7Very high0 Ų063.3 Ų63.30%036%0.361CS..Hα-helixtrans-65.2-46.5179.4-162-81.1000112L231 A235 F238 F260 H261 R266 E267 F268 C270 P272 Y275L231-F264 HydrophobicContact CD2-CB 4.15Å; L231-F264 HydrophobicContact CD2-CD2 4.06Å; A235-F264 HydrophobicContact CB-CE2 4.27Å; A235-F264 HydrophobicContact CB-CZ 4.33Å; F238-F264 AromaticContact CD2-CE2 3.86Å; F238-F264 HydrophobicContact CD2-CE2 3.86Å; F238-F264 AromaticContact CD2-CZ 3.93Å; F238-F264 HydrophobicContact CD2-CZ 3.93Å; F238-F264 HydrophobicContact CE2-CD2 4.19Å; F238-F264 AromaticContact CE2-CE2 3.64Å; F238-F264 HydrophobicContact CE2-CE2 3.64Å; F238-F264 HydrophobicContact CE2-CZ 4.01Å; F260-F264 HydrophobicContact CE1-CD2 4.22Å; F260-F264 HydrophobicContact CE2-CD2 4.11Å; F260-F264 HydrophobicContact CZ-CB 4.47Å; F260-F264 AromaticContact CZ-CD2 3.61Å; F260-F264 HydrophobicContact CZ-CD2 3.61Å; F260-F264 HydrophobicContact CZ-CE2 4.28Å; F260-F264 HydrophobicContact CZ-CG 4.33Å; F260-F264 WeakPolarHBondContact O-CB 3.47Å; F260-F264 PolarHBondContact O-N 3.22Å; H261-F264 PolarHBondContact O-N 3.29Å; F264-R266 VanDerWaalsContact C-N 3.28Å; F264-R266 PolarHBondContact O-N 3.15Å; F264-E267 PolarHBondContact O-N 3.07Å; F264-E267 VanDerWaalsContact O-N 3.16Å; F264-F268 HydrophobicContact CD1-CB 4.26Å; F264-F268 AromaticContact CD1-CD2 3.79Å; F264-F268 HydrophobicContact CD1-CD2 3.79Å; F264-F268 HydrophobicContact CD1-CG 4.44Å; F264-F268 AromaticContact CD2-CD2 3.81Å; F264-F268 HydrophobicContact CD2-CD2 3.81Å; F264-F268 AromaticContact CD2-CE2 3.94Å; F264-F268 HydrophobicContact CD2-CE2 3.94Å; F264-F268 HydrophobicContact CE1-CB 3.92Å; F264-F268 AromaticContact CE1-CD2 3.53Å; F264-F268 HydrophobicContact CE1-CD2 3.53Å; F264-F268 HydrophobicContact CE1-CE2 4.33Å; F264-F268 AromaticContact CE1-CG 3.97Å; F264-F268 HydrophobicContact CE1-CG 3.97Å; F264-F268 AromaticContact CE2-CD2 3.55Å; F264-F268 HydrophobicContact CE2-CD2 3.55Å; F264-F268 AromaticContact CE2-CE2 3.52Å; F264-F268 HydrophobicContact CE2-CE2 3.52Å; F264-F268 AromaticContact CG-CD2 3.92Å; F264-F268 HydrophobicContact CG-CD2 3.92Å; F264-F268 HydrophobicContact CG-CE2 4.5Å; F264-F268 HydrophobicContact CZ-CB 4.48Å; F264-F268 AromaticContact CZ-CD2 3.4Å; F264-F268 HydrophobicContact CZ-CD2 3.4Å; F264-F268 AromaticContact CZ-CE2 3.74Å; F264-F268 HydrophobicContact CZ-CE2 3.74Å; F264-F268 HydrophobicContact CZ-CG 4.04Å; F264-F268 PolarHBondContact O-N 3.07Å; F264-C270 WeakPolarHBondContact CD1-O 3.45Å; F264-P272 HydrophobicContact CB-CG 4.1Å; F264-P272 HydrophobicContact CD1-CG 3.95Å; F264-P272 HydrophobicContact CG-CG 3.92Å; F264-Y275 HydrophobicContact CE1-CD2 4Å; F264-Y275 AromaticContact CE1-CG 3.96Å; F264-Y275 HydrophobicContact CE1-CG 3.96Å; F264-Y275 HydrophobicContact CZ-CD1 4.25Å; F264-Y275 AromaticContact CZ-CD2 3.93Å; F264-Y275 HydrophobicContact CZ-CD2 3.93Å; F264-Y275 HydrophobicContact CZ-CE2 4.48Å; F264-Y275 AromaticContact CZ-CG 3.81Å; F264-Y275 HydrophobicContact CZ-CG 3.81Å
265V96.7Very high94.6Very high53 Ų5362.2 Ų62.232%0.32136%0.357SS..Hα-helixtrans-60.6-39.1175.6171.90000111.4H261 E267 G269 C270 T271H261-V265 VanDerWaalsContact O-CG2 3.31Å; H261-V265 WeakPolarHBondContact O-CG2 3.17Å; H261-V265 PolarHBondContact O-N 2.9Å; V265-E267 VanDerWaalsContact C-N 3.32Å; V265-E267 PolarHBondContact O-N 2.98Å; V265-G269 WeakPolarHBondContact O-CA 3.31Å; V265-G269 PolarHBondContact O-N 3.43Å; V265-C270 WeakPolarHBondContact CA-O 3.23Å; V265-C270 WeakPolarHBondContact CG2-O 3.47Å; V265-T271 HydrophobicContact CG2-CG2 4.08Å
266R95.9Very high94.7Very high225 Ų22559.2 Ų59.285%0.84932%0.322SS*.Hα-helixtrans-63.8-37.7177.2-179.5-178.2175.6-172.7-0.1112.4K262 A263 F264K262-R266 WeakPolarHBondContact O-CB 3.33Å; K262-R266 PolarHBondContact O-N 3.26Å; K262-R266 VanDerWaalsContact O-N 3.16Å; A263-R266 PolarHBondContact O-N 3.27Å; F264-R266 VanDerWaalsContact C-N 3.28Å; F264-R266 PolarHBondContact O-N 3.15Å
267E93.8Very high94.7Very high79 Ų7960.8 Ų60.837%0.36932%0.324SS..Hα-helixtrans-83.7-43-176.3-168.569.6-167.800112.5L231 A263 F264 V265L231-E267 HydrophobicContact CB-CG 4.42Å; L231-E267 HydrophobicContact CD1-CB 3.6Å; L231-E267 HydrophobicContact CD1-CG 4.01Å; A263-E267 PolarHBondContact O-N 3.35Å; A263-E267 VanDerWaalsContact O-N 3.09Å; F264-E267 PolarHBondContact O-N 3.07Å; F264-E267 VanDerWaalsContact O-N 3.16Å; V265-E267 VanDerWaalsContact C-N 3.32Å; V265-E267 PolarHBondContact O-N 2.98Å
268F93Very high94.6Very high30 Ų3059.7 Ų59.713%0.13232%0.315CS..Hα-helixtrans-107.6-0.8-172.3-65.6-74.1000114.5T55 L231 A235 F264 C270 Y275T55-F268 HydrophobicContact CG2-CD1 4.23Å; T55-F268 HydrophobicContact CG2-CE1 4.36Å; L231-F268 HydrophobicContact CB-CE2 3.98Å; L231-F268 WeakPolarHBondContact O-CE2 3.46Å; A235-F268 HydrophobicContact CB-CE1 4.06Å; A235-F268 HydrophobicContact CB-CE2 3.94Å; A235-F268 HydrophobicContact CB-CZ 3.49Å; A235-F268 VanDerWaalsContact CB-CZ 3.49Å; F264-F268 HydrophobicContact CD1-CB 4.26Å; F264-F268 AromaticContact CD1-CD2 3.79Å; F264-F268 HydrophobicContact CD1-CD2 3.79Å; F264-F268 HydrophobicContact CD1-CG 4.44Å; F264-F268 AromaticContact CD2-CD2 3.81Å; F264-F268 HydrophobicContact CD2-CD2 3.81Å; F264-F268 AromaticContact CD2-CE2 3.94Å; F264-F268 HydrophobicContact CD2-CE2 3.94Å; F264-F268 HydrophobicContact CE1-CB 3.92Å; F264-F268 AromaticContact CE1-CD2 3.53Å; F264-F268 HydrophobicContact CE1-CD2 3.53Å; F264-F268 HydrophobicContact CE1-CE2 4.33Å; F264-F268 AromaticContact CE1-CG 3.97Å; F264-F268 HydrophobicContact CE1-CG 3.97Å; F264-F268 AromaticContact CE2-CD2 3.55Å; F264-F268 HydrophobicContact CE2-CD2 3.55Å; F264-F268 AromaticContact CE2-CE2 3.52Å; F264-F268 HydrophobicContact CE2-CE2 3.52Å; F264-F268 AromaticContact CG-CD2 3.92Å; F264-F268 HydrophobicContact CG-CD2 3.92Å; F264-F268 HydrophobicContact CG-CE2 4.5Å; F264-F268 HydrophobicContact CZ-CB 4.48Å; F264-F268 AromaticContact CZ-CD2 3.4Å; F264-F268 HydrophobicContact CZ-CD2 3.4Å; F264-F268 AromaticContact CZ-CE2 3.74Å; F264-F268 HydrophobicContact CZ-CE2 3.74Å; F264-F268 HydrophobicContact CZ-CG 4.04Å; F264-F268 PolarHBondContact O-N 3.07Å; F268-C270 PolarHBondContact O-N 3.22Å; F268-C270 VanDerWaalsContact O-N 3.08Å; F268-Y275 HydrophobicContact CD1-CE2 4.17Å
269G93.4Very high94.4Very high66 Ų6656.4 Ų56.468%0.6829%0.291SS*.SBendtrans66.68.3179.900000115.1V265V265-G269 WeakPolarHBondContact O-CA 3.31Å; V265-G269 PolarHBondContact O-N 3.43Å
270C94Very high94Very high2 Ų261.3 Ų61.31%0.01430%0.302CS..SBendtrans-147.5162.8179.861.30000111.4F264 V265 F268 E274F264-C270 WeakPolarHBondContact CD1-O 3.45Å; V265-C270 WeakPolarHBondContact CA-O 3.23Å; V265-C270 WeakPolarHBondContact CG2-O 3.47Å; F268-C270 PolarHBondContact O-N 3.22Å; F268-C270 VanDerWaalsContact O-N 3.08Å; C270-E274 HydrophobicContact CB-CB 4.11Å; C270-E274 WeakPolarHBondContact CB-OE2 3.47Å
271T95.3Very high93.4Very high39 Ų3967 Ų6724%0.23933%0.329CS..  trans-72.9156.4177.268.50000111.2H261 V265 G273 E274 Y275H261-T271 VanDerWaalsContact NE2-CG2 3.28Å; H261-T271 WeakPolarHBondContact NE2-CG2 3.41Å; V265-T271 HydrophobicContact CG2-CG2 4.08Å; T271-G273 PolarHBondContact O-N 2.98Å; T271-E274 PolarHBondContact N-OE2 3.43Å; T271-E274 PolarHBondContact O-N 2.85Å; T271-E274 WeakPolarHBondContact OG1-CB 3.27Å; T271-E274 VanDerWaalsContact OG1-CG 3.24Å; T271-E274 WeakPolarHBondContact OG1-CG 3.4Å; T271-E274 PolarHBondContact OG1-N 3.07Å; T271-E274 VanDerWaalsContact OG1-N 3.14Å; T271-E274 PolarHBondContact OG1-OE2 3.14Å; T271-E274 VanDerWaalsContact OG1-OE2 3.13Å; T271-Y275 WeakPolarHBondContact O-CB 3.43Å; T271-Y275 PolarHBondContact O-N 2.93Å
272P94.9Very high92.7Very high3 Ų363.9 Ų63.92%0.01931%0.314CS..Hα-helixtrans-54.3-33.6173.1-2835.7000114.1F238 V245 F260 F264 R276F238-P272 HydrophobicContact CE2-CB 3.86Å; F238-P272 HydrophobicContact CZ-CB 3.78Å; V245-P272 HydrophobicContact CG1-CB 3.91Å; V245-P272 HydrophobicContact CG1-CG 4.28Å; V245-P272 HydrophobicContact CG2-CB 4.15Å; F260-P272 HydrophobicContact CD1-CG 4.14Å; F260-P272 HydrophobicContact CE1-CB 4.17Å; F260-P272 HydrophobicContact CE1-CG 3.63Å; F264-P272 HydrophobicContact CB-CG 4.1Å; F264-P272 HydrophobicContact CD1-CG 3.95Å; F264-P272 HydrophobicContact CG-CG 3.92Å; P272-R276 PolarHBondContact O-N 3.49Å; P272-R276 VanDerWaalsContact O-N 3.08Å
273G92.9Very high91.4Very high43 Ų4358.7 Ų58.744%0.44330%0.301SS..Hα-helixtrans-68.9-47.3176.600000112.5T271 Y275 R276 E277T271-G273 PolarHBondContact O-N 2.98Å; G273-Y275 VanDerWaalsContact C-N 3.32Å; G273-Y275 PolarHBondContact O-N 3.03Å; G273-R276 PolarHBondContact O-N 3.28Å; G273-E277 PolarHBondContact O-N 3.34Å
274E93.2Very high89.6Confident102 Ų10265 Ų6548%0.47734%0.34SS..Hα-helixtrans-62.1-40.5174.3-71.6164.5158.900111.6C270 T271 R276 E277 R278C270-E274 HydrophobicContact CB-CB 4.11Å; C270-E274 WeakPolarHBondContact CB-OE2 3.47Å; T271-E274 PolarHBondContact N-OE2 3.43Å; T271-E274 PolarHBondContact O-N 2.85Å; T271-E274 WeakPolarHBondContact OG1-CB 3.27Å; T271-E274 VanDerWaalsContact OG1-CG 3.24Å; T271-E274 WeakPolarHBondContact OG1-CG 3.4Å; T271-E274 PolarHBondContact OG1-N 3.07Å; T271-E274 VanDerWaalsContact OG1-N 3.14Å; T271-E274 PolarHBondContact OG1-OE2 3.14Å; T271-E274 VanDerWaalsContact OG1-OE2 3.13Å; E274-R276 VanDerWaalsContact C-N 3.35Å; E274-R276 PolarHBondContact O-N 3.19Å; E274-E277 PolarHBondContact O-N 3.49Å; E274-R278 WeakPolarHBondContact O-CG 3.34Å; E274-R278 PolarHBondContact O-N 3.02Å
275Y93.8Very high89.2Confident5 Ų568.3 Ų68.32%0.0236%0.357CS..Hα-helixtrans-59.2-46.4175.7-170.2-83.6000111.2A235 F238 F264 F268 T271 G273 E277 R278 V279A235-Y275 HydrophobicContact CB-CE1 4.09Å; A235-Y275 HydrophobicContact CB-CE2 4.4Å; F238-Y275 HydrophobicContact CB-CD1 3.96Å; F238-Y275 HydrophobicContact CB-CE1 4.2Å; F238-Y275 HydrophobicContact CD2-CD1 4.34Å; F264-Y275 HydrophobicContact CE1-CD2 4Å; F264-Y275 AromaticContact CE1-CG 3.96Å; F264-Y275 HydrophobicContact CE1-CG 3.96Å; F264-Y275 HydrophobicContact CZ-CD1 4.25Å; F264-Y275 AromaticContact CZ-CD2 3.93Å; F264-Y275 HydrophobicContact CZ-CD2 3.93Å; F264-Y275 HydrophobicContact CZ-CE2 4.48Å; F264-Y275 AromaticContact CZ-CG 3.81Å; F264-Y275 HydrophobicContact CZ-CG 3.81Å; F268-Y275 HydrophobicContact CD1-CE2 4.17Å; T271-Y275 WeakPolarHBondContact O-CB 3.43Å; T271-Y275 PolarHBondContact O-N 2.93Å; G273-Y275 VanDerWaalsContact C-N 3.32Å; G273-Y275 PolarHBondContact O-N 3.03Å; Y275-E277 VanDerWaalsContact C-N 3.29Å; Y275-E277 PolarHBondContact O-N 2.92Å; Y275-R278 WeakPolarHBondContact O-CB 3.45Å; Y275-R278 PolarHBondContact O-N 3.4Å; Y275-V279 HydrophobicContact CD1-CG2 4.06Å; Y275-V279 HydrophobicContact CE1-CG2 3.88Å; Y275-V279 WeakPolarHBondContact O-CG2 3.44Å; Y275-V279 PolarHBondContact O-N 2.89Å
276R92.1Very high88.9Confident46 Ų4669.1 Ų69.117%0.17436%0.359CS..Hα-helixtrans-61.9-37175.6-172.9179.8-59.8-154.6-4.5112.5F238 L243 P272 G273 E274 V279 R280F238-R276 VanDerWaalsContact CD1-NH2 3.26Å; F238-R276 VanDerWaalsContact CE1-NH2 3.3Å; L243-R276 VanDerWaalsContact O-CZ 3.26Å; L243-R276 PolarHBondContact O-NH1 2.93Å; L243-R276 PolarHBondContact O-NH2 2.82Å; P272-R276 PolarHBondContact O-N 3.49Å; P272-R276 VanDerWaalsContact O-N 3.08Å; G273-R276 PolarHBondContact O-N 3.28Å; E274-R276 VanDerWaalsContact C-N 3.35Å; E274-R276 PolarHBondContact O-N 3.19Å; R276-V279 WeakPolarHBondContact O-CB 3.02Å; R276-V279 PolarHBondContact O-N 3.23Å; R276-R280 PolarHBondContact O-N 3.38Å; R276-R280 VanDerWaalsContact O-N 3.16Å
277E90.8Very high88.5Confident87 Ų8760.4 Ų60.441%0.40733%0.332SS..Hα-helixtrans-67.9-39.5176.8-166.956.5-152.900111.6G273 E274 Y275 V279 R280 Q281G273-E277 PolarHBondContact O-N 3.34Å; E274-E277 PolarHBondContact O-N 3.49Å; Y275-E277 VanDerWaalsContact C-N 3.29Å; Y275-E277 PolarHBondContact O-N 2.92Å; E277-V279 VanDerWaalsContact C-N 3.35Å; E277-V279 PolarHBondContact O-N 3.4Å; E277-R280 WeakPolarHBondContact O-CB 3.33Å; E277-R280 PolarHBondContact O-N 3.46Å; E277-R280 WeakPolarHBondContact OE2-CD 3.39Å; E277-R280 IonicContact OE2-CZ 3.14Å; E277-R280 IonicContact OE2-NH1 2.9Å; E277-R280 PolarHBondContact OE2-NH1 3.41Å; E277-Q281 WeakPolarHBondContact O-CG 3.48Å; E277-Q281 PolarHBondContact O-N 3.15Å
278R90.7Very high88.2Confident82 Ų8259.4 Ų59.431%0.30933%0.33SS..Hα-helixtrans-59.8-43.8170.5-67.1179.9-163.8-179.63.6111.8L54 E274 Y275 R280 Q281 F282L54-R278 HydrophobicContact CD2-CB 4.14Å; E274-R278 WeakPolarHBondContact O-CG 3.34Å; E274-R278 PolarHBondContact O-N 3.02Å; Y275-R278 WeakPolarHBondContact O-CB 3.45Å; Y275-R278 PolarHBondContact O-N 3.4Å; R278-R280 VanDerWaalsContact C-N 3.25Å; R278-R280 PolarHBondContact O-N 3.26Å; R278-Q281 WeakPolarHBondContact O-CB 3.13Å; R278-Q281 PolarHBondContact O-N 2.97Å; R278-Q281 VanDerWaalsContact O-N 3.08Å; R278-F282 VanDerWaalsContact O-CD2 3.3Å; R278-F282 WeakPolarHBondContact O-CD2 3.35Å; R278-F282 PolarHBondContact O-N 3.13Å
279V90.4Very high87.9Confident16 Ų1661.2 Ų61.210%0.09734%0.342CS..Hα-helixtrans-53.6-45.6175.4173.80000110.7L54 Y275 R276 E277 Q281 F282 A283L54-V279 HydrophobicContact CD1-CG2 3.81Å; L54-V279 HydrophobicContact CD2-CG2 4.39Å; Y275-V279 HydrophobicContact CD1-CG2 4.06Å; Y275-V279 HydrophobicContact CE1-CG2 3.88Å; Y275-V279 WeakPolarHBondContact O-CG2 3.44Å; Y275-V279 PolarHBondContact O-N 2.89Å; R276-V279 WeakPolarHBondContact O-CB 3.02Å; R276-V279 PolarHBondContact O-N 3.23Å; E277-V279 VanDerWaalsContact C-N 3.35Å; E277-V279 PolarHBondContact O-N 3.4Å; V279-Q281 VanDerWaalsContact C-N 3.31Å; V279-Q281 PolarHBondContact O-N 3.14Å; V279-F282 CarbonylContact O-C 3.54Å; V279-F282 PolarHBondContact O-N 2.67Å; V279-F282 VanDerWaalsContact O-N 3.14Å; V279-A283 PolarHBondContact O-N 3.41Å
280R87.6Confident87.5Confident154 Ų15460.9 Ų60.958%0.58132%0.32SS*.Hα-helixtrans-63.8-33.5179.7-69.9171.5177.6170-6.2113.3R276 E277 R278 F282 A283R276-R280 PolarHBondContact O-N 3.38Å; R276-R280 VanDerWaalsContact O-N 3.16Å; E277-R280 WeakPolarHBondContact O-CB 3.33Å; E277-R280 PolarHBondContact O-N 3.46Å; E277-R280 WeakPolarHBondContact OE2-CD 3.39Å; E277-R280 IonicContact OE2-CZ 3.14Å; E277-R280 IonicContact OE2-NH1 2.9Å; E277-R280 PolarHBondContact OE2-NH1 3.41Å; R278-R280 VanDerWaalsContact C-N 3.25Å; R278-R280 PolarHBondContact O-N 3.26Å; R280-F282 VanDerWaalsContact C-N 3.27Å; R280-F282 PolarHBondContact O-N 2.9Å; R280-A283 PolarHBondContact O-N 3.27Å
281Q85.4Confident87Confident120 Ų12065.1 Ų65.156%0.56134%0.342SS*.Hα-helixtrans-71-23.9176.4-66.4172.30.700112.9R76 E277 R278 V279R76-Q281 PolarHBondContact NH2-O 3.23Å; E277-Q281 WeakPolarHBondContact O-CG 3.48Å; E277-Q281 PolarHBondContact O-N 3.15Å; R278-Q281 WeakPolarHBondContact O-CB 3.13Å; R278-Q281 PolarHBondContact O-N 2.97Å; R278-Q281 VanDerWaalsContact O-N 3.08Å; V279-Q281 VanDerWaalsContact C-N 3.31Å; V279-Q281 PolarHBondContact O-N 3.14Å
282F81.3Confident86.4Confident10 Ų1067.1 Ų67.14%0.04435%0.349CS..Hα-helixtrans-96.2-13.4176.3-80-108.3000113.3P30 E52 L54 A74 H75 R76 R278 V279 R280P30-F282 WeakPolarHBondContact CB-O 3.5Å; E52-F282 HydrophobicContact CB-CE1 4.37Å; E52-F282 HydrophobicContact CB-CZ 4.43Å; E52-F282 HydrophobicContact CG-CE1 4.19Å; E52-F282 HydrophobicContact CG-CZ 3.79Å; E52-F282 WeakPolarHBondContact O-CE1 3.38Å; L54-F282 HydrophobicContact CD2-CB 3.94Å; L54-F282 HydrophobicContact CD2-CD1 4.33Å; L54-F282 HydrophobicContact CD2-CD2 3.63Å; L54-F282 HydrophobicContact CD2-CE2 4.16Å; L54-F282 HydrophobicContact CD2-CG 3.71Å; A74-F282 HydrophobicContact CB-CB 4.12Å; H75-F282 VanDerWaalsContact C-CD1 3.42Å; R76-F282 HydrophobicContact CB-CD1 3.9Å; R76-F282 HydrophobicContact CB-CE1 3.54Å; R76-F282 HydrophobicContact CB-CZ 4.43Å; R278-F282 VanDerWaalsContact O-CD2 3.3Å; R278-F282 WeakPolarHBondContact O-CD2 3.35Å; R278-F282 PolarHBondContact O-N 3.13Å; V279-F282 CarbonylContact O-C 3.54Å; V279-F282 PolarHBondContact O-N 2.67Å; V279-F282 VanDerWaalsContact O-N 3.14Å; R280-F282 VanDerWaalsContact C-N 3.27Å; R280-F282 PolarHBondContact O-N 2.9Å
283A70.7Confident85.7Confident49 Ų4972.4 Ų72.441%0.40538%0.377SS..  trans-69.9131.1170.900000109.2V279 R280V279-A283 PolarHBondContact O-N 3.41Å; R280-A283 PolarHBondContact O-N 3.27Å
284P59.3Low85Confident155 Ų15575.1 Ų75.1100%1.00637%0.371SS*.  trans-670173.729.7-34.7000112.6P30P30-P284 HydrophobicContact CG-CB 4.49Å

Retrieved 284 of 284 residues in 88.1 ms (Link to these results)

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