A0A096MZ29_PAPAN Loading...

Ubiquitin-like protein 4A

AlphaFold DB , UniProt , Accession A0A096MZ29, Species PAPAN (Papio anubis, Olive baboon), Gene UBL4A, Length 179 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
1M88.4Confident87.4Confident50 Ų5065.6 Ų65.625%0.24633%0.334CS..  0148.30-168.6178.3100.200110L3 Q16 V17 I61 G62 P63M1-L3 HydrophobicContact CE-CB 4.43Å; M1-L3 HydrophobicContact CE-CD2 4.23Å; M1-Q16 CarbonylContact O-C 3.56Å; M1-Q16 WeakPolarHBondContact O-CA 3.44Å; M1-V17 CarbonylContact C-O 3.54Å; M1-V17 WeakPolarHBondContact CA-O 3.26Å; M1-V17 VanDerWaalsContact CB-O 3.22Å; M1-V17 WeakPolarHBondContact CB-O 3.45Å; M1-V17 PolarHBondContact N-O 2.95Å; M1-V17 PolarHBondContact O-N 3.34Å; M1-I61 HydrophobicContact CE-CG2 3.71Å; M1-I61 WeakPolarHBondContact CE-O 3.44Å; M1-G62 WeakPolarHBondContact CE-O 3.28Å; M1-G62 VanDerWaalsContact SD-CA 3.6Å; M1-P63 HydrophobicContact CG-CB 3.78Å; M1-P63 HydrophobicContact SD-CB 4.4Å
2Q89.8Confident87.8Confident97 Ų9770.3 Ų70.345%0.45335%0.353SS..EExtended strand (participates in β ladder)trans-103.2138.2172.6-175.6173.7-0.300110.2L15 N64Q2-L15 WeakPolarHBondContact CA-O 3.4Å; Q2-N64 WeakPolarHBondContact O-CA 3.32Å; Q2-N64 PolarHBondContact O-N 3.48Å
3L92.4Very high88Confident0 Ų066.6 Ų66.60%034%0.338CS..EExtended strand (participates in β ladder)trans-139.1159.2173.958.282.7000111.2M1 V5 S14 L15 V17 L26 L56 I61 L67M1-L3 HydrophobicContact CE-CB 4.43Å; M1-L3 HydrophobicContact CE-CD2 4.23Å; L3-V5 HydrophobicContact CD1-CG2 3.76Å; L3-S14 CarbonylContact O-C 3.58Å; L3-S14 WeakPolarHBondContact O-CA 3.5Å; L3-L15 HydrophobicContact CD1-CB 3.85Å; L3-L15 HydrophobicContact CD1-CD1 4.23Å; L3-L15 HydrophobicContact CD1-CG 4.41Å; L3-L15 HydrophobicContact CG-CB 4.46Å; L3-L15 PolarHBondContact N-O 3.37Å; L3-L15 PolarHBondContact O-N 2.64Å; L3-V17 HydrophobicContact CD2-CG2 3.47Å; L3-V17 VanDerWaalsContact CD2-CG2 3.47Å; L3-V17 HydrophobicContact CG-CG2 4.18Å; L3-L26 HydrophobicContact CD1-CD1 4.08Å; L3-L26 HydrophobicContact CD2-CD1 3.65Å; L3-L26 HydrophobicContact CG-CD1 4.43Å; L3-L56 HydrophobicContact CD2-CD1 4.41Å; L3-I61 HydrophobicContact CD2-CG2 4.48Å; L3-L67 HydrophobicContact CB-CD1 4.16Å; L3-L67 HydrophobicContact CD1-CD1 4.13Å; L3-L67 HydrophobicContact CD2-CD1 4.31Å; L3-L67 HydrophobicContact CG-CD1 4.45Å
4T92.8Very high88.3Confident29 Ų2967.1 Ų67.118%0.17835%0.35CS..EExtended strand (participates in β ladder)trans-118.9126.5-179.1-53.60000109.9E12 C13 S65 K66 L67T4-E12 HydrophobicContact CG2-CB 4.42Å; T4-C13 CarbonylContact C-O 3.59Å; T4-C13 WeakPolarHBondContact CA-O 3.47Å; T4-S65 PolarHBondContact N-O 3.01Å; T4-K66 CarbonylContact O-C 3.58Å; T4-K66 WeakPolarHBondContact O-CA 3.5Å; T4-L67 PolarHBondContact O-N 3.33Å
5V92.9Very high88.5Confident0 Ų063.4 Ų63.40%033%0.331CS..EExtended strand (participates in β ladder)trans-105.1118.8175.2-175.60000108.5L3 E12 C13 L15 V30 L43 L67 L69L3-V5 HydrophobicContact CD1-CG2 3.76Å; V5-E12 CarbonylContact O-C 3.58Å; V5-E12 VanDerWaalsContact O-CA 3.25Å; V5-E12 WeakPolarHBondContact O-CA 3.22Å; V5-C13 PolarHBondContact N-O 3.38Å; V5-C13 PolarHBondContact O-N 3.2Å; V5-L15 HydrophobicContact CG2-CD1 4Å; V5-V30 HydrophobicContact CB-CG2 4.5Å; V5-V30 HydrophobicContact CG1-CG2 4.3Å; V5-V30 HydrophobicContact CG2-CG2 3.99Å; V5-L43 HydrophobicContact CG1-CD2 4.02Å; V5-L67 CarbonylContact C-O 3.59Å; V5-L67 WeakPolarHBondContact CA-O 3.44Å; V5-L67 HydrophobicContact CG2-CB 4.35Å; V5-L69 HydrophobicContact CG1-CB 3.8Å
6K93.1Very high88.7Confident82 Ų8270.4 Ų70.436%0.35736%0.362SS..EExtended strand (participates in β ladder)trans-102.8117175.4-177.7172.6179.5175.80110L67 N68 L69K6-L67 PolarHBondContact N-O 3.48Å; K6-N68 CarbonylContact O-C 3.56Å; K6-N68 WeakPolarHBondContact O-CA 3.05Å; K6-L69 PolarHBondContact O-N 2.97Å
7A89.6Confident88.7Confident6 Ų666.6 Ų66.65%0.0534%0.342CS..EExtended strand (participates in β ladder)trans-78.3151.2170.400000111.2Q9 G10 R11 L34 L69A7-Q9 PolarHBondContact O-N 2.86Å; A7-Q9 VanDerWaalsContact O-N 3.16Å; A7-G10 PolarHBondContact O-N 2.66Å; A7-G10 VanDerWaalsContact O-N 3.11Å; A7-R11 HydrophobicContact CB-CB 4.32Å; A7-R11 WeakPolarHBondContact CB-O 3.48Å; A7-R11 PolarHBondContact N-O 2.76Å; A7-L34 HydrophobicContact CB-CD1 4.19Å; A7-L69 HydrophobicContact CB-CB 4.44Å; A7-L69 HydrophobicContact CB-CD2 4.32Å
8L79.1Confident88.8Confident127 Ų12766.8 Ų66.867%0.66535%0.349SS*.THydrogen-bonded Turntrans-59-24.7173.7-68-178.9000113.4G10 L69 V70L8-G10 PolarHBondContact O-N 3.43Å; L8-G10 VanDerWaalsContact O-N 3.13Å; L8-L69 PolarHBondContact N-O 3.37Å; L8-V70 HydrophobicContact CD1-CB 4.19Å; L8-V70 HydrophobicContact CD1-CG1 3.94Å; L8-V70 HydrophobicContact CD1-CG2 3.88Å; L8-V70 HydrophobicContact CG-CG2 4.21Å
9Q77.4Confident88.6Confident129 Ų12970.1 Ų70.160%0.60336%0.362SS*.THydrogen-bonded Turntrans-75.59.8177.7-61.3172.322.700113.3A7 R11A7-Q9 PolarHBondContact O-N 2.86Å; A7-Q9 VanDerWaalsContact O-N 3.16Å; Q9-R11 PolarHBondContact O-N 3.27Å
10G81.3Confident88.5Confident55 Ų5571 Ų7157%0.56737%0.367SS*.SBendtrans78.1-1-178.100000114.7A7 L8A7-G10 PolarHBondContact O-N 2.66Å; A7-G10 VanDerWaalsContact O-N 3.11Å; L8-G10 PolarHBondContact O-N 3.43Å; L8-G10 VanDerWaalsContact O-N 3.13Å
11R85Confident88.6Confident147 Ų14770.5 Ų70.556%0.55536%0.364SS*.  trans-79.2136.8173.9-63.1-175.3176.8-167.5-2.6110.4A7 Q9 L34A7-R11 HydrophobicContact CB-CB 4.32Å; A7-R11 WeakPolarHBondContact CB-O 3.48Å; A7-R11 PolarHBondContact N-O 2.76Å; Q9-R11 PolarHBondContact O-N 3.27Å; R11-L34 HydrophobicContact CB-CD2 3.85Å
12E91.5Very high88.8Confident121 Ų12171.3 Ų71.357%0.56537%0.369SS*.EExtended strand (participates in β ladder)trans-128.4148.3173.158.5-176.973.600111.8T4 V5T4-E12 HydrophobicContact CG2-CB 4.42Å; V5-E12 CarbonylContact O-C 3.58Å; V5-E12 VanDerWaalsContact O-CA 3.25Å; V5-E12 WeakPolarHBondContact O-CA 3.22Å
13C90.8Very high88.9Confident23 Ų2366.7 Ų66.716%0.15535%0.347CS..EExtended strand (participates in β ladder)trans-137.7134.2-178.5-59.90000109.7T4 V5 K33 L34T4-C13 CarbonylContact C-O 3.59Å; T4-C13 WeakPolarHBondContact CA-O 3.47Å; V5-C13 PolarHBondContact N-O 3.38Å; V5-C13 PolarHBondContact O-N 3.2Å; C13-K33 HydrophobicContact CB-CB 4.5Å; C13-L34 WeakPolarHBondContact SG-CD2 3.38Å; C13-L34 WeakPolarHBondContact SG-CG 3.49Å
14S92.9Very high88.9Confident73 Ų7369 Ų6951%0.5136%0.363SS..EExtended strand (participates in β ladder)trans-93.5129.9170.3-68.80000109.6L3L3-S14 CarbonylContact O-C 3.58Å; L3-S14 WeakPolarHBondContact O-CA 3.5Å
15L91.3Very high88.8Confident12 Ų1269.6 Ų69.66%0.06337%0.367CS..EExtended strand (participates in β ladder)trans-122.6143.7179.1-59.3174.8000110Q2 L3 V5 L29 V30 K33Q2-L15 WeakPolarHBondContact CA-O 3.4Å; L3-L15 HydrophobicContact CD1-CB 3.85Å; L3-L15 HydrophobicContact CD1-CD1 4.23Å; L3-L15 HydrophobicContact CD1-CG 4.41Å; L3-L15 HydrophobicContact CG-CB 4.46Å; L3-L15 PolarHBondContact N-O 3.37Å; L3-L15 PolarHBondContact O-N 2.64Å; V5-L15 HydrophobicContact CG2-CD1 4Å; L15-L29 HydrophobicContact CD1-CB 4.23Å; L15-L29 HydrophobicContact CD2-CB 4.29Å; L15-V30 HydrophobicContact CD1-CG2 3.55Å; L15-K33 HydrophobicContact CD2-CG 3.93Å
16Q90.8Very high88.7Confident175 Ų17569.6 Ų69.682%0.81837%0.367SS*.EExtended strand (participates in β ladder)trans-108.6112.8175-165.1171.628.700108.8M1M1-Q16 CarbonylContact O-C 3.56Å; M1-Q16 WeakPolarHBondContact O-CA 3.44Å
17V89.4Confident88.6Confident6 Ų666.8 Ų66.84%0.03635%0.354CS..  trans-140.2153.5-178.1-630000110.8M1 L3 L26 L29 L56M1-V17 CarbonylContact C-O 3.54Å; M1-V17 WeakPolarHBondContact CA-O 3.26Å; M1-V17 VanDerWaalsContact CB-O 3.22Å; M1-V17 WeakPolarHBondContact CB-O 3.45Å; M1-V17 PolarHBondContact N-O 2.95Å; M1-V17 PolarHBondContact O-N 3.34Å; L3-V17 HydrophobicContact CD2-CG2 3.47Å; L3-V17 VanDerWaalsContact CD2-CG2 3.47Å; L3-V17 HydrophobicContact CG-CG2 4.18Å; V17-L26 HydrophobicContact CB-CD1 4.49Å; V17-L26 HydrophobicContact CG1-CD1 4.08Å; V17-L26 HydrophobicContact CG2-CD1 3.81Å; V17-L29 HydrophobicContact CG1-CD1 3.48Å; V17-L29 VanDerWaalsContact CG1-CD1 3.48Å; V17-L56 HydrophobicContact CG2-CD1 3.69Å
18P89.7Confident88.7Confident70 Ų7071.5 Ų71.546%0.45538%0.376SS..  trans-71.6156.7170.919.4-16.2000111.7D20 E21P18-D20 VanDerWaalsContact C-N 3.32Å; P18-E21 HydrophobicContact CG-CB 3.94Å; P18-E21 HydrophobicContact CG-CG 4.34Å; P18-E21 VanDerWaalsContact O-CB 3.32Å; P18-E21 WeakPolarHBondContact O-CB 3.32Å; P18-E21 PolarHBondContact O-N 3.11Å
19E84.9Confident89.3Confident129 Ų12968 Ų6860%0.60336%0.357SS*.THydrogen-bonded Turntrans-70.6-26.8-179.862.9-172.277.600113.6E21 L56 S57E19-E21 VanDerWaalsContact C-N 3.28Å; E19-L56 WeakPolarHBondContact O-CB 3.47Å; E19-S57 WeakPolarHBondContact O-CB 3.43Å; E19-S57 PolarHBondContact O-N 3.11Å
20D86.8Confident90Very high88 Ų8862 Ų6247%0.47133%0.329SS..THydrogen-bonded Turntrans-86.1-2.6-179.6-162.4-121.8000112.7P18 R55P18-D20 VanDerWaalsContact C-N 3.32Å; D20-R55 PolarHBondContact O-NH1 3.29Å; D20-R55 IonicContact OD1-CZ 3.44Å; D20-R55 IonicContact OD1-NH1 2.64Å; D20-R55 PolarHBondContact OD1-NH1 3.13Å; D20-R55 IonicContact OD1-NH2 3.92Å; D20-R55 WeakPolarHBondContact OD2-CD 3.44Å; D20-R55 IonicContact OD2-CZ 3.77Å; D20-R55 IonicContact OD2-NE 3.9Å; D20-R55 IonicContact OD2-NH1 3.37Å; D20-R55 PolarHBondContact OD2-NH1 2.59Å
21E91.1Very high90.4Very high61 Ų6160.8 Ų60.829%0.28531%0.312SS..  trans-67.1154.9-176.1-159.560.194.700112.5P18 E19 T25 R55 L56P18-E21 HydrophobicContact CG-CB 3.94Å; P18-E21 HydrophobicContact CG-CG 4.34Å; P18-E21 VanDerWaalsContact O-CB 3.32Å; P18-E21 WeakPolarHBondContact O-CB 3.32Å; P18-E21 PolarHBondContact O-N 3.11Å; E19-E21 VanDerWaalsContact C-N 3.28Å; E21-T25 HydrophobicContact CG-CG2 4.05Å; E21-R55 WeakPolarHBondContact O-CA 3.33Å; E21-L56 HydrophobicContact CB-CD1 4.25Å; E21-L56 PolarHBondContact O-N 2.92Å
22L92.1Very high90.6Very high68 Ų6860 Ų6036%0.35632%0.315SS..BIsolated β-bridgetrans-78.1146.5176-66.8172000112.3S24 T25 L26 R55L22-S24 PolarHBondContact O-N 3.46Å; L22-T25 PolarHBondContact O-N 3.41Å; L22-L26 PolarHBondContact O-N 3.09Å; L22-R55 HydrophobicContact CD2-CG 4Å
23V92.1Very high90.4Very high0 Ų060.9 Ų60.90%032%0.317CS..Hα-helixtrans-60.2-29.9171.5170.60000111.4L26 K27 L43 L50 A51 K54 L56 Y59V23-L26 WeakPolarHBondContact O-CB 3.49Å; V23-L26 PolarHBondContact O-N 3.29Å; V23-K27 WeakPolarHBondContact O-CG 3.42Å; V23-K27 PolarHBondContact O-N 3.42Å; V23-L43 HydrophobicContact CG1-CD1 4.47Å; V23-L50 HydrophobicContact CB-CB 4.49Å; V23-L50 HydrophobicContact CG1-CB 3.67Å; V23-L50 HydrophobicContact CG2-CB 3.96Å; V23-L50 HydrophobicContact CG2-CD1 4.31Å; V23-A51 WeakPolarHBondContact CB-O 3.44Å; V23-A51 WeakPolarHBondContact CG1-O 3.45Å; V23-A51 WeakPolarHBondContact CG2-O 3.23Å; V23-K54 VanDerWaalsContact CG2-O 3.26Å; V23-K54 WeakPolarHBondContact CG2-O 3.22Å; V23-K54 PolarHBondContact N-O 3.23Å; V23-L56 HydrophobicContact CG2-CD2 3.99Å; V23-Y59 HydrophobicContact CG2-CE2 4.42Å
24S91.8Very high90.2Very high47 Ų4760.3 Ų60.333%0.32931%0.312SS..Hα-helixtrans-58.4-49.1175-165.90000112.3L22 L26 K27 Q28 D52L22-S24 PolarHBondContact O-N 3.46Å; S24-L26 VanDerWaalsContact C-N 3.29Å; S24-L26 PolarHBondContact O-N 3.34Å; S24-K27 PolarHBondContact O-N 3.26Å; S24-K27 VanDerWaalsContact O-N 3.17Å; S24-Q28 PolarHBondContact O-N 3.17Å; S24-Q28 VanDerWaalsContact O-N 3.17Å; S24-D52 PolarHBondContact N-O 3.28Å
25T91.5Very high89.9Confident42 Ų4263.5 Ų63.526%0.25832%0.324SS..Hα-helixtrans-60.2-40.6176.1-45.50000111.1E21 L22 K27 Q28 L29E21-T25 HydrophobicContact CG-CG2 4.05Å; L22-T25 PolarHBondContact O-N 3.41Å; T25-K27 VanDerWaalsContact C-N 3.34Å; T25-K27 PolarHBondContact O-N 3.43Å; T25-Q28 WeakPolarHBondContact O-CB 3.28Å; T25-Q28 PolarHBondContact O-N 2.95Å; T25-L29 PolarHBondContact O-N 3.26Å; T25-L29 VanDerWaalsContact O-N 3.11Å
26L91.3Very high89.7Confident1 Ų163.7 Ų63.71%0.00533%0.325CS..Hα-helixtrans-59.7-43.9176.4-158.9104.9000112.2L3 V17 L22 V23 S24 Q28 L29 V30 L43 L56 L67L3-L26 HydrophobicContact CD1-CD1 4.08Å; L3-L26 HydrophobicContact CD2-CD1 3.65Å; L3-L26 HydrophobicContact CG-CD1 4.43Å; V17-L26 HydrophobicContact CB-CD1 4.49Å; V17-L26 HydrophobicContact CG1-CD1 4.08Å; V17-L26 HydrophobicContact CG2-CD1 3.81Å; L22-L26 PolarHBondContact O-N 3.09Å; V23-L26 WeakPolarHBondContact O-CB 3.49Å; V23-L26 PolarHBondContact O-N 3.29Å; S24-L26 VanDerWaalsContact C-N 3.29Å; S24-L26 PolarHBondContact O-N 3.34Å; L26-Q28 VanDerWaalsContact C-N 3.28Å; L26-Q28 PolarHBondContact O-N 3.17Å; L26-L29 PolarHBondContact O-N 3.44Å; L26-V30 HydrophobicContact CD2-CG2 4.44Å; L26-V30 VanDerWaalsContact O-CG2 3.23Å; L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 2.99Å; L26-L43 HydrophobicContact CD2-CD1 3.5Å; L26-L56 HydrophobicContact CD1-CD1 3.95Å; L26-L56 HydrophobicContact CD1-CD2 4.31Å; L26-L67 HydrophobicContact CD2-CD2 3.9Å
27K91.4Very high89.6Confident22 Ų2258.5 Ų58.510%0.09631%0.307CS..Hα-helixtrans-63.9-34.8178.3-69.3175.5-178.9172.40112.1V23 S24 T25 V30 S31 V38 Q41 L43V23-K27 WeakPolarHBondContact O-CG 3.42Å; V23-K27 PolarHBondContact O-N 3.42Å; S24-K27 PolarHBondContact O-N 3.26Å; S24-K27 VanDerWaalsContact O-N 3.17Å; T25-K27 VanDerWaalsContact C-N 3.34Å; T25-K27 PolarHBondContact O-N 3.43Å; K27-V30 PolarHBondContact O-N 3.24Å; K27-S31 WeakPolarHBondContact O-CB 3.47Å; K27-S31 PolarHBondContact O-N 3.06Å; K27-V38 HydrophobicContact CB-CG1 3.8Å; K27-V38 HydrophobicContact CB-CG2 4.26Å; K27-V38 HydrophobicContact CD-CG1 4.02Å; K27-Q41 PolarHBondContact O-NE2 3.01Å; K27-Q41 PolarHBondContact O-OE1 3.13Å; K27-Q41 VanDerWaalsContact O-OE1 3.09Å; K27-L43 HydrophobicContact CG-CD1 3.52Å; K27-L43 HydrophobicContact CG-CG 4.29Å
28Q91.3Very high89.6Confident106 Ų10660.8 Ų60.850%0.49532%0.32SS..Hα-helixtrans-63-50174.4-69.7-178.4-31.500111S24 T25 L26 V30 S31 E32 V38S24-Q28 PolarHBondContact O-N 3.17Å; S24-Q28 VanDerWaalsContact O-N 3.17Å; T25-Q28 WeakPolarHBondContact O-CB 3.28Å; T25-Q28 PolarHBondContact O-N 2.95Å; L26-Q28 VanDerWaalsContact C-N 3.28Å; L26-Q28 PolarHBondContact O-N 3.17Å; Q28-V30 VanDerWaalsContact C-N 3.3Å; Q28-V30 PolarHBondContact O-N 3.17Å; Q28-S31 WeakPolarHBondContact O-CA 3.37Å; Q28-S31 VanDerWaalsContact O-CB 3.31Å; Q28-S31 WeakPolarHBondContact O-CB 3.45Å; Q28-S31 PolarHBondContact O-N 3.39Å; Q28-S31 PolarHBondContact O-OG 3.08Å; Q28-E32 PolarHBondContact O-N 3.21Å; Q28-E32 VanDerWaalsContact O-N 3.11Å; Q28-V38 HydrophobicContact CG-CG2 4.33Å
29L91.8Very high89.4Confident53 Ų5368.1 Ų68.128%0.27734%0.339SS..Hα-helixtrans-59.8-41.3176.7-67.8169.3000112.3L15 V17 T25 L26 S31 E32 K33L15-L29 HydrophobicContact CD1-CB 4.23Å; L15-L29 HydrophobicContact CD2-CB 4.29Å; V17-L29 HydrophobicContact CG1-CD1 3.48Å; V17-L29 VanDerWaalsContact CG1-CD1 3.48Å; T25-L29 PolarHBondContact O-N 3.26Å; T25-L29 VanDerWaalsContact O-N 3.11Å; L26-L29 PolarHBondContact O-N 3.44Å; L29-S31 VanDerWaalsContact C-N 3.26Å; L29-S31 PolarHBondContact O-N 3.5Å; L29-E32 PolarHBondContact O-N 2.88Å; L29-K33 WeakPolarHBondContact O-CG 3.46Å; L29-K33 PolarHBondContact O-N 3.39Å; L29-K33 VanDerWaalsContact O-N 3.12Å
30V90.6Very high89.6Confident2 Ų264 Ų641%0.01232%0.32CS..Hα-helixtrans-61.7-36.5173.6173.10000111.1V5 L15 L26 K27 Q28 K33 L34 L69V5-V30 HydrophobicContact CB-CG2 4.5Å; V5-V30 HydrophobicContact CG1-CG2 4.3Å; V5-V30 HydrophobicContact CG2-CG2 3.99Å; L15-V30 HydrophobicContact CD1-CG2 3.55Å; L26-V30 HydrophobicContact CD2-CG2 4.44Å; L26-V30 VanDerWaalsContact O-CG2 3.23Å; L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 2.99Å; K27-V30 PolarHBondContact O-N 3.24Å; Q28-V30 VanDerWaalsContact C-N 3.3Å; Q28-V30 PolarHBondContact O-N 3.17Å; V30-K33 PolarHBondContact O-N 3.49Å; V30-L34 HydrophobicContact CG1-CD1 3.98Å; V30-L34 WeakPolarHBondContact O-CB 3.32Å; V30-L34 PolarHBondContact O-N 2.68Å; V30-L69 HydrophobicContact CG1-CD2 3.79Å
31S90.1Very high89.7Confident31 Ų3160.2 Ų60.222%0.21730%0.299CS..Hα-helixtrans-64.6-40.9178.978.40000112.1K27 Q28 L29 N35 V36 Q41K27-S31 WeakPolarHBondContact O-CB 3.47Å; K27-S31 PolarHBondContact O-N 3.06Å; Q28-S31 WeakPolarHBondContact O-CA 3.37Å; Q28-S31 VanDerWaalsContact O-CB 3.31Å; Q28-S31 WeakPolarHBondContact O-CB 3.45Å; Q28-S31 PolarHBondContact O-N 3.39Å; Q28-S31 PolarHBondContact O-OG 3.08Å; L29-S31 VanDerWaalsContact C-N 3.26Å; L29-S31 PolarHBondContact O-N 3.5Å; S31-N35 WeakPolarHBondContact O-CA 3.3Å; S31-N35 PolarHBondContact O-N 3.22Å; S31-V36 VanDerWaalsContact CA-O 3.22Å; S31-V36 WeakPolarHBondContact CA-O 3.45Å; S31-V36 WeakPolarHBondContact CB-O 3.46Å; S31-Q41 VanDerWaalsContact CA-NE2 3.25Å; S31-Q41 VanDerWaalsContact N-NE2 3.19Å
32E89.2Confident89.7Confident130 Ų13062.9 Ų62.961%0.60731%0.307SS*.Hα-helixtrans-69.8-37.7178.6-64.917790.700111.8Q28 L29Q28-E32 PolarHBondContact O-N 3.21Å; Q28-E32 VanDerWaalsContact O-N 3.11Å; L29-E32 PolarHBondContact O-N 2.88Å
33K88.8Confident89.7Confident139 Ų13959.7 Ų59.760%0.60429%0.29SS*.Hα-helixtrans-81.5-38.2-177.8-62.6-60.7172.9-174.60113.7C13 L15 L29 V30C13-K33 HydrophobicContact CB-CB 4.5Å; L15-K33 HydrophobicContact CD2-CG 3.93Å; L29-K33 WeakPolarHBondContact O-CG 3.46Å; L29-K33 PolarHBondContact O-N 3.39Å; L29-K33 VanDerWaalsContact O-N 3.12Å; V30-K33 PolarHBondContact O-N 3.49Å
34L86.5Confident89.7Confident12 Ų1261.6 Ų61.66%0.06330%0.3CS..Hα-helixtrans-100.3-4.8-177.9-70.5177.7000114A7 R11 C13 V30 V36 L69A7-L34 HydrophobicContact CB-CD1 4.19Å; R11-L34 HydrophobicContact CB-CD2 3.85Å; C13-L34 WeakPolarHBondContact SG-CD2 3.38Å; C13-L34 WeakPolarHBondContact SG-CG 3.49Å; V30-L34 HydrophobicContact CG1-CD1 3.98Å; V30-L34 WeakPolarHBondContact O-CB 3.32Å; V30-L34 PolarHBondContact O-N 2.68Å; L34-V36 HydrophobicContact CB-CG2 4.1Å; L34-V36 PolarHBondContact O-N 3.25Å; L34-L69 HydrophobicContact CD1-CD2 3.45Å; L34-L69 VanDerWaalsContact CD1-CD2 3.45Å
35N86.8Confident89.7Confident140 Ų14060.2 Ų60.275%0.74929%0.288SS*.  trans55.735.2-174.5-72.1-94.5000112.8S31S31-N35 WeakPolarHBondContact O-CA 3.3Å; S31-N35 PolarHBondContact O-N 3.22Å
36V86.4Confident89.5Confident16 Ų1666.2 Ų66.210%0.09731%0.311CS..  trans-110.5124.8177.4-1790000108.8S31 L34 Q40 Q41 V71S31-V36 VanDerWaalsContact CA-O 3.22Å; S31-V36 WeakPolarHBondContact CA-O 3.45Å; S31-V36 WeakPolarHBondContact CB-O 3.46Å; L34-V36 HydrophobicContact CB-CG2 4.1Å; L34-V36 PolarHBondContact O-N 3.25Å; V36-Q40 HydrophobicContact CG1-CB 4.09Å; V36-Q41 HydrophobicContact CB-CG 4.2Å; V36-Q41 HydrophobicContact CG1-CG 3.72Å; V36-Q41 PolarHBondContact O-NE2 2.94Å; V36-V71 HydrophobicContact CG1-CB 4.46Å; V36-V71 HydrophobicContact CG1-CG1 3.78Å; V36-V71 HydrophobicContact CG1-CG2 3.93Å; V36-V71 HydrophobicContact CG2-CG2 4.06Å
37P88.8Confident89.2Confident66 Ų6669.4 Ų69.443%0.42934%0.344SS..  trans-64.9140-179.725.5-33.8000111.8R39 Q40 Q41P37-R39 PolarHBondContact O-N 3.2Å; P37-Q40 VanDerWaalsContact CD-OE1 3.26Å; P37-Q40 HydrophobicContact CG-CB 4.06Å; P37-Q40 VanDerWaalsContact CG-CD 3.44Å; P37-Q40 HydrophobicContact CG-CG 3.73Å; P37-Q40 WeakPolarHBondContact O-CB 3.46Å; P37-Q40 PolarHBondContact O-N 3.07Å; P37-Q41 WeakPolarHBondContact O-CG 3.5Å; P37-Q41 PolarHBondContact O-N 2.97Å
38V88.6Confident89.1Confident53 Ų5375.2 Ų75.232%0.32137%0.369SS..G310 helixtrans-49.7-36.8-175.3174.10000113.5K27 Q28 Q40 Q41K27-V38 HydrophobicContact CB-CG1 3.8Å; K27-V38 HydrophobicContact CB-CG2 4.26Å; K27-V38 HydrophobicContact CD-CG1 4.02Å; Q28-V38 HydrophobicContact CG-CG2 4.33Å; V38-Q40 VanDerWaalsContact C-N 3.31Å; V38-Q40 PolarHBondContact O-N 3.1Å; V38-Q41 WeakPolarHBondContact O-CB 3.46Å; V38-Q41 PolarHBondContact O-N 2.97Å; V38-Q41 VanDerWaalsContact O-N 3.16Å
39R85.9Confident89Confident224 Ų22472.9 Ų72.985%0.84537%0.368SS*.G310 helixtrans-66.8-29.8179.3-61.6-174.7-177.3-175.41.3113.5P37 Q41 L74P37-R39 PolarHBondContact O-N 3.2Å; R39-Q41 VanDerWaalsContact C-N 3.34Å; R39-L74 HydrophobicContact CB-CD1 3.78Å
40Q88.9Confident89Confident42 Ų4270.9 Ų70.920%0.19636%0.358CS..G310 helixtrans-83.3-15.7176.2-68.2-176.2-19.700112.1V36 P37 V38 V71 K72 L74V36-Q40 HydrophobicContact CG1-CB 4.09Å; P37-Q40 VanDerWaalsContact CD-OE1 3.26Å; P37-Q40 HydrophobicContact CG-CB 4.06Å; P37-Q40 VanDerWaalsContact CG-CD 3.44Å; P37-Q40 HydrophobicContact CG-CG 3.73Å; P37-Q40 WeakPolarHBondContact O-CB 3.46Å; P37-Q40 PolarHBondContact O-N 3.07Å; V38-Q40 VanDerWaalsContact C-N 3.31Å; V38-Q40 PolarHBondContact O-N 3.1Å; Q40-V71 HydrophobicContact CB-CG1 4.18Å; Q40-V71 WeakPolarHBondContact O-CA 3.42Å; Q40-K72 VanDerWaalsContact CB-O 3.25Å; Q40-K72 WeakPolarHBondContact CB-O 3.4Å; Q40-K72 VanDerWaalsContact CG-O 3.22Å; Q40-K72 WeakPolarHBondContact CG-O 3.39Å; Q40-K72 PolarHBondContact O-N 3.16Å; Q40-L74 HydrophobicContact CG-CB 4.03Å; Q40-L74 HydrophobicContact CG-CD1 3.69Å; Q40-L74 HydrophobicContact CG-CG 3.69Å
41Q89.5Confident88.9Confident9 Ų972.9 Ų72.94%0.04237%0.374CS..EExtended strand (participates in β ladder)trans-81.8124.4-176.3-62.2178.925.400111.9K27 S31 V36 P37 V38 R39 L69K27-Q41 PolarHBondContact O-NE2 3.01Å; K27-Q41 PolarHBondContact O-OE1 3.13Å; K27-Q41 VanDerWaalsContact O-OE1 3.09Å; S31-Q41 VanDerWaalsContact CA-NE2 3.25Å; S31-Q41 VanDerWaalsContact N-NE2 3.19Å; V36-Q41 HydrophobicContact CB-CG 4.2Å; V36-Q41 HydrophobicContact CG1-CG 3.72Å; V36-Q41 PolarHBondContact O-NE2 2.94Å; P37-Q41 WeakPolarHBondContact O-CG 3.5Å; P37-Q41 PolarHBondContact O-N 2.97Å; V38-Q41 WeakPolarHBondContact O-CB 3.46Å; V38-Q41 PolarHBondContact O-N 2.97Å; V38-Q41 VanDerWaalsContact O-N 3.16Å; R39-Q41 VanDerWaalsContact C-N 3.34Å; Q41-L69 HydrophobicContact CB-CD1 3.65Å; Q41-L69 HydrophobicContact CG-CD1 3.9Å
42R90.9Very high88.8Confident117 Ų11775.9 Ų75.944%0.44239%0.388SS..EExtended strand (participates in β ladder)trans-117.9110.1165.2-178.5174-86.1-168.8-14108.7L44 V70 K72R42-L44 HydrophobicContact CG-CD1 4Å; R42-L44 WeakPolarHBondContact O-CD1 2.96Å; R42-V70 HydrophobicContact CB-CB 4.29Å; R42-V70 PolarHBondContact N-O 2.93Å; R42-V70 PolarHBondContact O-N 3.17Å; R42-K72 VanDerWaalsContact NH1-CE 3.34Å
43L91.8Very high88.7Confident1 Ų172.7 Ų72.71%0.00539%0.39CS..EExtended strand (participates in β ladder)trans-89.6133.9176.5-65.4169.8000110V5 V23 L26 K27 A49 L50 N68 L69V5-L43 HydrophobicContact CG1-CD2 4.02Å; V23-L43 HydrophobicContact CG1-CD1 4.47Å; L26-L43 HydrophobicContact CD2-CD1 3.5Å; K27-L43 HydrophobicContact CG-CD1 3.52Å; K27-L43 HydrophobicContact CG-CG 4.29Å; L43-A49 WeakPolarHBondContact O-CA 3.41Å; L43-L50 HydrophobicContact CB-CB 4.37Å; L43-L50 HydrophobicContact CB-CD1 4.1Å; L43-L50 HydrophobicContact CB-CG 4.38Å; L43-L50 PolarHBondContact O-N 2.95Å; L43-N68 CarbonylContact C-O 3.53Å; L43-N68 WeakPolarHBondContact CA-O 3.36Å; L43-L69 HydrophobicContact CD2-CB 4.21Å; L43-L69 HydrophobicContact CD2-CD1 3.91Å; L43-L69 HydrophobicContact CG-CD1 4.49Å
44L91.8Very high88.7Confident40 Ų4070.1 Ų70.121%0.20938%0.379CS..EExtended strand (participates in β ladder)trans-126.1135.9178.2-59.887.6000110.8R42 K48 N68 V70R42-L44 HydrophobicContact CG-CD1 4Å; R42-L44 WeakPolarHBondContact O-CD1 2.96Å; L44-K48 CarbonylContact C-O 3.55Å; L44-K48 VanDerWaalsContact CA-O 3.27Å; L44-K48 WeakPolarHBondContact CA-O 3.31Å; L44-N68 HydrophobicContact CB-CB 4.47Å; L44-N68 PolarHBondContact N-O 3.1Å; L44-N68 PolarHBondContact O-N 3.48Å; L44-V70 HydrophobicContact CD1-CB 4.07Å; L44-V70 HydrophobicContact CD1-CG2 3.45Å; L44-V70 VanDerWaalsContact CD1-CG2 3.45Å
45F91.4Very high89Confident18 Ų1875 Ų758%0.07940%0.396CS..EExtended strand (participates in β ladder)trans-127.2125.9171.6-176.9-116.9000109.3G47 K48 L50 Y59 I61 L67F45-G47 PolarHBondContact O-N 3.44Å; F45-G47 VanDerWaalsContact O-N 3.11Å; F45-K48 PolarHBondContact N-O 2.92Å; F45-K48 PolarHBondContact O-N 2.91Å; F45-L50 HydrophobicContact CB-CD2 4.09Å; F45-Y59 WeakPolarHBondContact CE1-O 3.28Å; F45-I61 HydrophobicContact CD1-CD1 4.38Å; F45-I61 HydrophobicContact CD1-CG1 3.64Å; F45-I61 HydrophobicContact CD2-CG1 4.41Å; F45-I61 HydrophobicContact CE1-CG1 3.78Å; F45-I61 HydrophobicContact CG-CD1 4.42Å; F45-I61 HydrophobicContact CG-CG1 3.97Å; F45-I61 HydrophobicContact CZ-CG1 4.24Å; F45-L67 HydrophobicContact CD2-CG 4.44Å
46K88.2Confident89.1Confident168 Ų16868.4 Ų68.473%0.7336%0.361SS*.THydrogen-bonded Turntrans48.139.3-176.5-61.3179.2175.8175.80113.5K48K46-K48 PolarHBondContact O-N 2.75Å
47G85Confident89.1Confident69 Ų6970 Ų7071%0.71137%0.373SS*.THydrogen-bonded Turntrans78.3-5.2-178.100000115.7F45F45-G47 PolarHBondContact O-N 3.44Å; F45-G47 VanDerWaalsContact O-N 3.11Å
48K89Confident89.1Confident144 Ų14471.2 Ų71.263%0.62638%0.376SS*.EExtended strand (participates in β ladder)trans-94.7133175.9-65.7-176.6178.4-179.80110.8L44 F45 K46L44-K48 CarbonylContact C-O 3.55Å; L44-K48 VanDerWaalsContact CA-O 3.27Å; L44-K48 WeakPolarHBondContact CA-O 3.31Å; F45-K48 PolarHBondContact N-O 2.92Å; F45-K48 PolarHBondContact O-N 2.91Å; K46-K48 PolarHBondContact O-N 2.75Å
49A90Very high88.9Confident57 Ų5770.8 Ų70.847%0.47137%0.369SS..EExtended strand (participates in β ladder)trans-75.6134.917400000110.6L43L43-A49 WeakPolarHBondContact O-CA 3.41Å
50L90.3Very high89Confident10 Ų1064.7 Ų64.75%0.05236%0.36CS..PPolyproline II helixtrans-84.1127.4178.8-55.2-177.4000110.7V23 L43 F45 Y59 I61 L67V23-L50 HydrophobicContact CB-CB 4.49Å; V23-L50 HydrophobicContact CG1-CB 3.67Å; V23-L50 HydrophobicContact CG2-CB 3.96Å; V23-L50 HydrophobicContact CG2-CD1 4.31Å; L43-L50 HydrophobicContact CB-CB 4.37Å; L43-L50 HydrophobicContact CB-CD1 4.1Å; L43-L50 HydrophobicContact CB-CG 4.38Å; L43-L50 PolarHBondContact O-N 2.95Å; F45-L50 HydrophobicContact CB-CD2 4.09Å; L50-Y59 HydrophobicContact CB-CE2 4.43Å; L50-Y59 HydrophobicContact CD2-CD1 3.61Å; L50-Y59 HydrophobicContact CD2-CD2 3.56Å; L50-Y59 HydrophobicContact CD2-CE1 3.81Å; L50-Y59 HydrophobicContact CD2-CE2 3.73Å; L50-Y59 HydrophobicContact CD2-CG 3.47Å; L50-Y59 VanDerWaalsContact CD2-CG 3.47Å; L50-I61 HydrophobicContact CD1-CD1 3.88Å; L50-I61 HydrophobicContact CD2-CD1 4.07Å; L50-L67 HydrophobicContact CD1-CD2 3.53Å
51A89.7Confident88.9Confident44 Ų4463 Ų6336%0.36435%0.352SS..PPolyproline II helixtrans-84.8139.5173.600000110.4V23 G53 K54 Y59V23-A51 WeakPolarHBondContact CB-O 3.44Å; V23-A51 WeakPolarHBondContact CG1-O 3.45Å; V23-A51 WeakPolarHBondContact CG2-O 3.23Å; A51-G53 VanDerWaalsContact C-N 3.35Å; A51-G53 PolarHBondContact O-N 3.25Å; A51-K54 HydrophobicContact CB-CG 4.43Å; A51-K54 PolarHBondContact O-N 3.29Å; A51-Y59 PolarHBondContact N-OH 2.89Å; A51-Y59 VanDerWaalsContact N-OH 3.11Å
52D87.1Confident88.7Confident95 Ų9563.7 Ų63.751%0.50836%0.362SS..THydrogen-bonded Turntrans-60.2-37.7-178.846.1-87.2000113.9S24 K54S24-D52 PolarHBondContact N-O 3.28Å; D52-K54 PolarHBondContact O-N 2.99Å
53G87.6Confident88.5Confident62 Ų6262.6 Ų62.664%0.63937%0.37SS*.THydrogen-bonded Turntrans-786.2178.100000115.6A51A51-G53 VanDerWaalsContact C-N 3.35Å; A51-G53 PolarHBondContact O-N 3.25Å
54K89.4Confident88.3Confident86 Ų8668.3 Ų68.337%0.37440%0.401SS..SBendtrans-108.9151.5177.6-78-148.4163.3-155.60111.9V23 A51 D52 D58 Y59V23-K54 VanDerWaalsContact CG2-O 3.26Å; V23-K54 WeakPolarHBondContact CG2-O 3.22Å; V23-K54 PolarHBondContact N-O 3.23Å; A51-K54 HydrophobicContact CB-CG 4.43Å; A51-K54 PolarHBondContact O-N 3.29Å; D52-K54 PolarHBondContact O-N 2.99Å; K54-D58 VanDerWaalsContact CD-OD1 3.28Å; K54-D58 WeakPolarHBondContact CD-OD1 3.43Å; K54-D58 VanDerWaalsContact NZ-CG 3.33Å; K54-D58 IonicContact NZ-OD1 2.66Å; K54-D58 PolarHBondContact NZ-OD1 3.03Å; K54-D58 IonicContact NZ-OD2 3.27Å; K54-D58 PolarHBondContact NZ-OD2 3.16Å; K54-Y59 HydrophobicContact CB-CD2 4.39Å; K54-Y59 HydrophobicContact CB-CE2 3.53Å; K54-Y59 HydrophobicContact CD-CE2 3.93Å; K54-Y59 HydrophobicContact CG-CE2 4.31Å
55R91.4Very high88.3Confident115 Ų11567.4 Ų67.443%0.43440%0.398SS..BIsolated β-bridgetrans-83.7155.4176.7-62.6176.3-179.5-94.316.1111D20 E21 L22 S57 D58 Y59D20-R55 PolarHBondContact O-NH1 3.29Å; D20-R55 IonicContact OD1-CZ 3.44Å; D20-R55 IonicContact OD1-NH1 2.64Å; D20-R55 PolarHBondContact OD1-NH1 3.13Å; D20-R55 IonicContact OD1-NH2 3.92Å; D20-R55 WeakPolarHBondContact OD2-CD 3.44Å; D20-R55 IonicContact OD2-CZ 3.77Å; D20-R55 IonicContact OD2-NE 3.9Å; D20-R55 IonicContact OD2-NH1 3.37Å; D20-R55 PolarHBondContact OD2-NH1 2.59Å; E21-R55 WeakPolarHBondContact O-CA 3.33Å; L22-R55 HydrophobicContact CD2-CG 4Å; R55-S57 VanDerWaalsContact C-N 3.29Å; R55-S57 PolarHBondContact O-N 3.41Å; R55-D58 WeakPolarHBondContact O-CB 3.47Å; R55-D58 PolarHBondContact O-N 3.05Å; R55-Y59 WeakPolarHBondContact O-CD2 3.32Å
56L88.8Confident88.3Confident0 Ų071.3 Ų71.30%042%0.415CS..THydrogen-bonded Turntrans-64.8-35.5177.1-61.7173.6000112.1L3 V17 E19 E21 V23 L26 D58 Y59 I61L3-L56 HydrophobicContact CD2-CD1 4.41Å; V17-L56 HydrophobicContact CG2-CD1 3.69Å; E19-L56 WeakPolarHBondContact O-CB 3.47Å; E21-L56 HydrophobicContact CB-CD1 4.25Å; E21-L56 PolarHBondContact O-N 2.92Å; V23-L56 HydrophobicContact CG2-CD2 3.99Å; L26-L56 HydrophobicContact CD1-CD1 3.95Å; L26-L56 HydrophobicContact CD1-CD2 4.31Å; L56-D58 VanDerWaalsContact C-N 3.32Å; L56-D58 PolarHBondContact O-N 3.42Å; L56-Y59 PolarHBondContact O-N 3.18Å; L56-I61 HydrophobicContact CB-CB 4.31Å; L56-I61 HydrophobicContact CB-CD1 4.36Å; L56-I61 HydrophobicContact CD2-CD1 3.73Å; L56-I61 WeakPolarHBondContact O-CB 3.46Å; L56-I61 PolarHBondContact O-N 3.32Å
57S87.6Confident88.5Confident50 Ų5063.3 Ų63.335%0.3538%0.38SS..G310 helixtrans-58.6-37.117553.30000113.5E19 R55 Y59 S60E19-S57 WeakPolarHBondContact O-CB 3.43Å; E19-S57 PolarHBondContact O-N 3.11Å; R55-S57 VanDerWaalsContact C-N 3.29Å; R55-S57 PolarHBondContact O-N 3.41Å; S57-Y59 PolarHBondContact O-N 2.97Å; S57-S60 PolarHBondContact O-N 3.33Å
58D87.9Confident88.9Confident91 Ų9163.3 Ų63.349%0.48736%0.364SS..G310 helixtrans-62.7-29.3177.6-172.6-86.8000112.3K54 R55 L56 S60K54-D58 VanDerWaalsContact CD-OD1 3.28Å; K54-D58 WeakPolarHBondContact CD-OD1 3.43Å; K54-D58 VanDerWaalsContact NZ-CG 3.33Å; K54-D58 IonicContact NZ-OD1 2.66Å; K54-D58 PolarHBondContact NZ-OD1 3.03Å; K54-D58 IonicContact NZ-OD2 3.27Å; K54-D58 PolarHBondContact NZ-OD2 3.16Å; R55-D58 WeakPolarHBondContact O-CB 3.47Å; R55-D58 PolarHBondContact O-N 3.05Å; L56-D58 VanDerWaalsContact C-N 3.32Å; L56-D58 PolarHBondContact O-N 3.42Å; D58-S60 VanDerWaalsContact C-N 3.34Å
59Y85.8Confident89Confident45 Ų4556.4 Ų56.418%0.17633%0.334CS..G310 helixtrans-91.56.5176.5-69.8-77.7000113.7V23 F45 L50 A51 K54 R55 L56 S57 I61V23-Y59 HydrophobicContact CG2-CE2 4.42Å; F45-Y59 WeakPolarHBondContact CE1-O 3.28Å; L50-Y59 HydrophobicContact CB-CE2 4.43Å; L50-Y59 HydrophobicContact CD2-CD1 3.61Å; L50-Y59 HydrophobicContact CD2-CD2 3.56Å; L50-Y59 HydrophobicContact CD2-CE1 3.81Å; L50-Y59 HydrophobicContact CD2-CE2 3.73Å; L50-Y59 HydrophobicContact CD2-CG 3.47Å; L50-Y59 VanDerWaalsContact CD2-CG 3.47Å; A51-Y59 PolarHBondContact N-OH 2.89Å; A51-Y59 VanDerWaalsContact N-OH 3.11Å; K54-Y59 HydrophobicContact CB-CD2 4.39Å; K54-Y59 HydrophobicContact CB-CE2 3.53Å; K54-Y59 HydrophobicContact CD-CE2 3.93Å; K54-Y59 HydrophobicContact CG-CE2 4.31Å; R55-Y59 WeakPolarHBondContact O-CD2 3.32Å; L56-Y59 PolarHBondContact O-N 3.18Å; S57-Y59 PolarHBondContact O-N 2.97Å; Y59-I61 HydrophobicContact CG-CD1 4.48Å; Y59-I61 PolarHBondContact O-N 3.11Å
60S87.1Confident89Confident95 Ų9555.7 Ų55.766%0.66432%0.323SS*.THydrogen-bonded Turntrans52.939.8-175.2-450000112.2S57 D58 G62S57-S60 PolarHBondContact O-N 3.33Å; D58-S60 VanDerWaalsContact C-N 3.34Å; S60-G62 PolarHBondContact O-N 3.48Å
61I87.1Confident88.8Confident6 Ų657 Ų573%0.03133%0.332CS..  trans-80.2106.1177.4-65.3165.8000107.3M1 L3 F45 L50 L56 Y59 L67M1-I61 HydrophobicContact CE-CG2 3.71Å; M1-I61 WeakPolarHBondContact CE-O 3.44Å; L3-I61 HydrophobicContact CD2-CG2 4.48Å; F45-I61 HydrophobicContact CD1-CD1 4.38Å; F45-I61 HydrophobicContact CD1-CG1 3.64Å; F45-I61 HydrophobicContact CD2-CG1 4.41Å; F45-I61 HydrophobicContact CE1-CG1 3.78Å; F45-I61 HydrophobicContact CG-CD1 4.42Å; F45-I61 HydrophobicContact CG-CG1 3.97Å; F45-I61 HydrophobicContact CZ-CG1 4.24Å; L50-I61 HydrophobicContact CD1-CD1 3.88Å; L50-I61 HydrophobicContact CD2-CD1 4.07Å; L56-I61 HydrophobicContact CB-CB 4.31Å; L56-I61 HydrophobicContact CB-CD1 4.36Å; L56-I61 HydrophobicContact CD2-CD1 3.73Å; L56-I61 WeakPolarHBondContact O-CB 3.46Å; L56-I61 PolarHBondContact O-N 3.32Å; Y59-I61 HydrophobicContact CG-CD1 4.48Å; Y59-I61 PolarHBondContact O-N 3.11Å; I61-L67 HydrophobicContact CG2-CD1 4.46Å
62G85.8Confident88.5Confident25 Ų2559.2 Ų59.226%0.25833%0.333SS..  trans-100.7176.9-178.300000113.8M1 S60 S65M1-G62 WeakPolarHBondContact CE-O 3.28Å; M1-G62 VanDerWaalsContact SD-CA 3.6Å; S60-G62 PolarHBondContact O-N 3.48Å; G62-S65 PolarHBondContact N-OG 3.4Å; G62-S65 VanDerWaalsContact N-OG 3.13Å; G62-S65 WeakPolarHBondContact O-CB 3.45Å; G62-S65 PolarHBondContact O-N 2.95Å; G62-S65 VanDerWaalsContact O-N 3.13Å; G62-S65 PolarHBondContact O-OG 2.83Å
63P86.6Confident87.6Confident94 Ų9460.2 Ų60.261%0.6135%0.345SS*.THydrogen-bonded Turntrans-57.8140.9-179.321.8-31.7000111.4M1 S65M1-P63 HydrophobicContact CG-CB 3.78Å; M1-P63 HydrophobicContact SD-CB 4.4Å; P63-S65 PolarHBondContact O-N 2.78Å
64N87.4Confident86.5Confident121 Ų12161.9 Ų61.965%0.64734%0.338SS*.THydrogen-bonded Turntrans63.719.3-177-50.7-52.9000114.4Q2Q2-N64 WeakPolarHBondContact O-CA 3.32Å; Q2-N64 PolarHBondContact O-N 3.48Å
65S90.9Very high84.6Confident20 Ų2066.2 Ų66.214%0.1436%0.36CS..EExtended strand (participates in β ladder)trans-66.4142.4173.5-71.40000111.8T4 G62 P63T4-S65 PolarHBondContact N-O 3.01Å; G62-S65 PolarHBondContact N-OG 3.4Å; G62-S65 VanDerWaalsContact N-OG 3.13Å; G62-S65 WeakPolarHBondContact O-CB 3.45Å; G62-S65 PolarHBondContact O-N 2.95Å; G62-S65 VanDerWaalsContact O-N 3.13Å; G62-S65 PolarHBondContact O-OG 2.83Å; P63-S65 PolarHBondContact O-N 2.78Å
66K92.4Very high82.5Confident100 Ų10068.9 Ų68.944%0.43538%0.375SS..EExtended strand (participates in β ladder)trans-103.5120.9176.5-168.7171.1-170.7158.30111.4T4T4-K66 CarbonylContact O-C 3.58Å; T4-K66 WeakPolarHBondContact O-CA 3.5Å
67L92.6Very high80.3Confident0 Ų075.9 Ų75.90%042%0.417CS..EExtended strand (participates in β ladder)trans-103.7147.2174.5-67.281.5000109.8L3 T4 V5 K6 L26 F45 L50 I61L3-L67 HydrophobicContact CB-CD1 4.16Å; L3-L67 HydrophobicContact CD1-CD1 4.13Å; L3-L67 HydrophobicContact CD2-CD1 4.31Å; L3-L67 HydrophobicContact CG-CD1 4.45Å; T4-L67 PolarHBondContact O-N 3.33Å; V5-L67 CarbonylContact C-O 3.59Å; V5-L67 WeakPolarHBondContact CA-O 3.44Å; V5-L67 HydrophobicContact CG2-CB 4.35Å; K6-L67 PolarHBondContact N-O 3.48Å; L26-L67 HydrophobicContact CD2-CD2 3.9Å; F45-L67 HydrophobicContact CD2-CG 4.44Å; L50-L67 HydrophobicContact CD1-CD2 3.53Å; I61-L67 HydrophobicContact CG2-CD1 4.46Å
68N92.8Very high78.3Confident69 Ų6978.9 Ų78.937%0.36943%0.429SS..EExtended strand (participates in β ladder)trans-104.5128.6174.3-63.7-84.6000109.4K6 L43 L44K6-N68 CarbonylContact O-C 3.56Å; K6-N68 WeakPolarHBondContact O-CA 3.05Å; L43-N68 CarbonylContact C-O 3.53Å; L43-N68 WeakPolarHBondContact CA-O 3.36Å; L44-N68 HydrophobicContact CB-CB 4.47Å; L44-N68 PolarHBondContact N-O 3.1Å; L44-N68 PolarHBondContact O-N 3.48Å
69L91.3Very high76.4Confident0 Ų080 Ų800%043%0.434CS..EExtended strand (participates in β ladder)trans-100.6118.7173.5173.968000109.8V5 K6 A7 L8 V30 L34 Q41 L43 V71V5-L69 HydrophobicContact CG1-CB 3.8Å; K6-L69 PolarHBondContact O-N 2.97Å; A7-L69 HydrophobicContact CB-CB 4.44Å; A7-L69 HydrophobicContact CB-CD2 4.32Å; L8-L69 PolarHBondContact N-O 3.37Å; V30-L69 HydrophobicContact CG1-CD2 3.79Å; L34-L69 HydrophobicContact CD1-CD2 3.45Å; L34-L69 VanDerWaalsContact CD1-CD2 3.45Å; Q41-L69 HydrophobicContact CB-CD1 3.65Å; Q41-L69 HydrophobicContact CG-CD1 3.9Å; L43-L69 HydrophobicContact CD2-CB 4.21Å; L43-L69 HydrophobicContact CD2-CD1 3.91Å; L43-L69 HydrophobicContact CG-CD1 4.49Å; L69-V71 HydrophobicContact CD2-CG2 4.29Å; L69-V71 HydrophobicContact CG-CG2 4.3Å
70V89.3Confident74.3Confident42 Ų4286.9 Ų86.926%0.25547%0.468SS..EExtended strand (participates in β ladder)trans-101.7120168.7178.90000107.7L8 R42 L44L8-V70 HydrophobicContact CD1-CB 4.19Å; L8-V70 HydrophobicContact CD1-CG1 3.94Å; L8-V70 HydrophobicContact CD1-CG2 3.88Å; L8-V70 HydrophobicContact CG-CG2 4.21Å; R42-V70 HydrophobicContact CB-CB 4.29Å; R42-V70 PolarHBondContact N-O 2.93Å; R42-V70 PolarHBondContact O-N 3.17Å; L44-V70 HydrophobicContact CD1-CB 4.07Å; L44-V70 HydrophobicContact CD1-CG2 3.45Å; L44-V70 VanDerWaalsContact CD1-CG2 3.45Å
71V86.4Confident72.4Confident37 Ų3791.4 Ų91.422%0.22448%0.478CS..EExtended strand (participates in β ladder)trans-89118.5173.9-174.60000107.7V36 Q40 L69V36-V71 HydrophobicContact CG1-CB 4.46Å; V36-V71 HydrophobicContact CG1-CG1 3.78Å; V36-V71 HydrophobicContact CG1-CG2 3.93Å; V36-V71 HydrophobicContact CG2-CG2 4.06Å; Q40-V71 HydrophobicContact CB-CG1 4.18Å; Q40-V71 WeakPolarHBondContact O-CA 3.42Å; L69-V71 HydrophobicContact CD2-CG2 4.29Å; L69-V71 HydrophobicContact CG-CG2 4.3Å
72K82.4Confident70.2Confident90 Ų9094.2 Ų94.239%0.39151%0.509SS..PPolyproline II helixtrans-87.4120.2167.5-68.6-173.8175.4-173.50108Q40 R42 L74Q40-K72 VanDerWaalsContact CB-O 3.25Å; Q40-K72 WeakPolarHBondContact CB-O 3.4Å; Q40-K72 VanDerWaalsContact CG-O 3.22Å; Q40-K72 WeakPolarHBondContact CG-O 3.39Å; Q40-K72 PolarHBondContact O-N 3.16Å; R42-K72 VanDerWaalsContact NH1-CE 3.34Å; K72-L74 PolarHBondContact O-N 2.99Å
73P69.8Low67.9Low117 Ų117102 Ų10276%0.7654%0.539SS*.  trans-62.8105.9168.126.3-30.4000107.1Q75P73-Q75 PolarHBondContact O-N 3.44Å; P73-Q75 VanDerWaalsContact O-N 3.15Å
74L63.2Low66Low96 Ų96101.9 Ų101.950%0.50355%0.546SS..  trans-66.7112.8156.4-70.5170.9000103.6R39 Q40 K72 K76R39-L74 HydrophobicContact CB-CD1 3.78Å; Q40-L74 HydrophobicContact CG-CB 4.03Å; Q40-L74 HydrophobicContact CG-CD1 3.69Å; Q40-L74 HydrophobicContact CG-CG 3.69Å; K72-L74 PolarHBondContact O-N 2.99Å; L74-K76 PolarHBondContact O-N 2.78Å
75Q49.5Very low64.1Low177 Ų177104 Ų10483%0.82755%0.552SS**  trans-43.5121.6171.1-164.5168.732.300106.9P73 V77P73-Q75 PolarHBondContact O-N 3.44Å; P73-Q75 VanDerWaalsContact O-N 3.15Å; Q75-V77 VanDerWaalsContact C-N 3.29Å; Q75-V77 PolarHBondContact O-N 3.37Å
76K47Very low61.7Low172 Ų172114.1 Ų114.175%0.74859%0.587SS**  trans-54.790.5-170.5-177.2-177.1177-174.90109.5L74 L78L74-K76 PolarHBondContact O-N 2.78Å; K76-L78 HydrophobicContact CD-CB 4.3Å; K76-L78 HydrophobicContact CG-CB 3.6Å; K76-L78 PolarHBondContact O-N 2.86Å; K76-L78 VanDerWaalsContact O-N 3.1Å
77V43.6Very low59.2Low147 Ų147114.7 Ų114.789%0.89159%0.594SS**  trans-78.179.2154-176.60000104.4Q75Q75-V77 VanDerWaalsContact C-N 3.29Å; Q75-V77 PolarHBondContact O-N 3.37Å
78L45.1Very low56.9Low112 Ų112120.3 Ų120.359%0.58664%0.641SS**  trans-121.894.5164.3-167.576.7000105.9K76K76-L78 HydrophobicContact CD-CB 4.3Å; K76-L78 HydrophobicContact CG-CB 3.6Å; K76-L78 PolarHBondContact O-N 2.86Å; K76-L78 VanDerWaalsContact O-N 3.1Å
79L47.8Very low54.8Low115 Ų115121.1 Ų121.160%0.60265%0.645SS**SBendtrans67.881.7151.6-51.8170.2000115.8
80E42.2Very low52.8Low190 Ų190124.5 Ų124.589%0.88867%0.669SS**  -132.686.3119.9-69.7-153.9111.200107.2G82E80-G82 PolarHBondContact O-N 3.14Å
81E47Very low51.1Low189 Ų189123.3 Ų123.388%0.88366%0.662SS**THydrogen-bonded Turntrans-67.986.8162.6-68.7-176.999.300107.3
82G41.2Very low49.8Very low66 Ų66125.4 Ų125.468%0.6868%0.677SS**THydrogen-bonded Turntrans-160-17-178.900000116.4E80E80-G82 PolarHBondContact O-N 3.14Å
83E37.9Very low48.7Very low187 Ų187126.2 Ų126.287%0.87469%0.691SS**  trans-141.451-175.9-63.8-172.5104.500112.8Q85E83-Q85 PolarHBondContact O-N 3.47Å; E83-Q85 VanDerWaalsContact O-N 3.09Å
84A46.8Very low48.6Very low93 Ų93126.7 Ų126.777%0.76968%0.683SS**  trans-77.783.1156.100000108.4
85Q45.9Very low49.5Very low166 Ų166125 Ų12578%0.77668%0.676SS**SBendtrans161.188.8143.8-115.172-3900107.2E83E83-Q85 PolarHBondContact O-N 3.47Å; E83-Q85 VanDerWaalsContact O-N 3.09Å
86R40.7Very low51.1Low232 Ų232117.8 Ų117.888%0.87564%0.641SS**SBend175.7137.2127.4-96.5164.9173.7-139.4-12.9112.6
87L40.5Very low52.7Low111 Ų111115.7 Ų115.758%0.58163%0.634SS**  trans70.493.1166-78.578.9000116.8D89L87-D89 PolarHBondContact O-N 2.87Å
88A43.7Very low54.6Low118 Ų118113 Ų11398%0.97561%0.614SS**THydrogen-bonded Turntrans-68.333.4154.500000113
89D49.6Very low56.5Low86 Ų86109.9 Ų109.946%0.4660%0.598SS.*THydrogen-bonded Turntrans-142.7-0.1-175.5-155.6-126.1000113L87 L127L87-D89 PolarHBondContact O-N 2.87Å; D89-L127 WeakPolarHBondContact O-CD1 3.31Å; D89-L127 WeakPolarHBondContact OD1-CB 3.32Å; D89-L127 VanDerWaalsContact OD1-CD1 3.3Å; D89-L127 WeakPolarHBondContact OD1-CD1 3.36Å
90S48.7Very low58.2Low71 Ų71106 Ų10650%0.49758%0.58SS.*SBendtrans-90.9141.1172-168.40000110
91P54.9Low60.2Low17 Ų17104.2 Ų104.211%0.1157%0.569CS.*PPolyproline II helixtrans-59.7144.8177.5-9.725.2000108.7V95 W96 Y123P91-V95 HydrophobicContact CB-CB 4.34Å; P91-W96 HydrophobicContact CG-CZ2 3.65Å; P91-Y123 HydrophobicContact CG-CD1 3.77Å; P91-Y123 HydrophobicContact CG-CE1 3.25Å; P91-Y123 HydrophobicContact CG-CE2 4.41Å
92P57.4Low62.1Low82 Ų8299.1 Ų99.153%0.53255%0.551SS.*PPolyproline II helixtrans-53.7138.9179.719.1-28.8000109.5H94 V95P92-H94 PolarHBondContact O-N 3.01Å; P92-V95 HydrophobicContact CG-CG2 4.19Å; P92-V95 PolarHBondContact O-N 3.38Å
93P59.8Low64.3Low106 Ų10697 Ų9769%0.68852%0.524SS*.Hα-helixtrans-51.9-25.8-170.215.8-30.4000113.1V95 Q97P93-V95 VanDerWaalsContact C-N 3.32Å; P93-V95 PolarHBondContact O-N 3.49Å; P93-Q97 VanDerWaalsContact O-CG 3.28Å; P93-Q97 WeakPolarHBondContact O-CG 3.27Å; P93-Q97 PolarHBondContact O-N 3.06Å
94H68.5Low66.5Low128 Ų12891.3 Ų91.359%0.59351%0.509SS*.Hα-helixtrans-57.8-33.4174.8-167.4-91.9000115P92 L98P92-H94 PolarHBondContact O-N 3.01Å; H94-L98 WeakPolarHBondContact O-CG 3.25Å; H94-L98 PolarHBondContact O-N 3.37Å; H94-L98 VanDerWaalsContact O-N 3.13Å
95V81Confident68.2Low60 Ų6096.6 Ų96.636%0.36451%0.51SS..Hα-helixtrans-71.6-46.1-177.1177.10000111.2P91 P92 P93 Q97 L98 I99P91-V95 HydrophobicContact CB-CB 4.34Å; P92-V95 HydrophobicContact CG-CG2 4.19Å; P92-V95 PolarHBondContact O-N 3.38Å; P93-V95 VanDerWaalsContact C-N 3.32Å; P93-V95 PolarHBondContact O-N 3.49Å; V95-Q97 VanDerWaalsContact C-N 3.26Å; V95-Q97 PolarHBondContact O-N 2.94Å; V95-L98 PolarHBondContact O-N 3.2Å; V95-L98 VanDerWaalsContact O-N 3.15Å; V95-I99 HydrophobicContact CG1-CD1 3.89Å; V95-I99 WeakPolarHBondContact O-CG1 3.48Å; V95-I99 PolarHBondContact O-N 3.34Å
96W84Confident69.9Low26 Ų2695.5 Ų95.510%0.09850%0.504CS..Hα-helixtrans-63.4-33.6176.6-64.2126.3000112.5P91 I99 S100 L116 L119 Q120 Y123P91-W96 HydrophobicContact CG-CZ2 3.65Å; W96-I99 HydrophobicContact CE3-CD1 3.67Å; W96-I99 HydrophobicContact CZ3-CD1 3.77Å; W96-I99 PolarHBondContact O-N 3Å; W96-S100 WeakPolarHBondContact O-CB 3.48Å; W96-S100 PolarHBondContact O-N 2.88Å; W96-S100 PolarHBondContact O-OG 2.87Å; W96-L116 HydrophobicContact CE3-CD1 3.75Å; W96-L116 HydrophobicContact CZ3-CD1 4.42Å; W96-L119 HydrophobicContact CH2-CG 4.09Å; W96-L119 HydrophobicContact CZ3-CB 4.32Å; W96-L119 HydrophobicContact CZ3-CD2 3.77Å; W96-L119 HydrophobicContact CZ3-CG 3.75Å; W96-Q120 HydrophobicContact CD2-CG 3.68Å; W96-Q120 HydrophobicContact CE3-CG 3.76Å; W96-Q120 HydrophobicContact CG-CG 4.39Å; W96-Q120 HydrophobicContact CH2-CB 4.36Å; W96-Q120 HydrophobicContact CH2-CG 3.74Å; W96-Q120 HydrophobicContact CZ2-CB 4.31Å; W96-Q120 HydrophobicContact CZ2-CG 3.63Å; W96-Q120 HydrophobicContact CZ3-CG 3.8Å; W96-Y123 HydrophobicContact CH2-CG 4.35Å; W96-Y123 HydrophobicContact CZ2-CD1 4.07Å; W96-Y123 HydrophobicContact CZ2-CG 4.15Å
97Q79.6Confident72Confident127 Ų12789.2 Ų89.259%0.59348%0.483SS*.Hα-helixtrans-68.8-33.4174.8-65.1-56.4-45.600113.2P93 V95 S100 K101P93-Q97 VanDerWaalsContact O-CG 3.28Å; P93-Q97 WeakPolarHBondContact O-CG 3.27Å; P93-Q97 PolarHBondContact O-N 3.06Å; V95-Q97 VanDerWaalsContact C-N 3.26Å; V95-Q97 PolarHBondContact O-N 2.94Å; Q97-S100 WeakPolarHBondContact CA-OG 3.45Å; Q97-S100 PolarHBondContact O-OG 3.11Å; Q97-K101 WeakPolarHBondContact O-CB 3.22Å; Q97-K101 PolarHBondContact O-N 2.94Å; Q97-K101 VanDerWaalsContact O-N 3.14Å
98L85.1Confident74.2Confident91 Ų9187.5 Ų87.548%0.47648%0.481SS..Hα-helixtrans-69.3-43.7172.5-70.2174.3000111.1H94 V95 K101 V102H94-L98 WeakPolarHBondContact O-CG 3.25Å; H94-L98 PolarHBondContact O-N 3.37Å; H94-L98 VanDerWaalsContact O-N 3.13Å; V95-L98 PolarHBondContact O-N 3.2Å; V95-L98 VanDerWaalsContact O-N 3.15Å; L98-K101 PolarHBondContact O-N 3.05Å; L98-V102 WeakPolarHBondContact O-CG2 3.11Å; L98-V102 PolarHBondContact O-N 2.72Å
99I84.6Confident75.8Confident47 Ų4785.6 Ų85.624%0.24146%0.464CS..Hα-helixtrans-63.6-45.1178.8-64.9164.6000110.1V95 W96 K101 V102 L103 L116 L119V95-I99 HydrophobicContact CG1-CD1 3.89Å; V95-I99 WeakPolarHBondContact O-CG1 3.48Å; V95-I99 PolarHBondContact O-N 3.34Å; W96-I99 HydrophobicContact CE3-CD1 3.67Å; W96-I99 HydrophobicContact CZ3-CD1 3.77Å; W96-I99 PolarHBondContact O-N 3Å; I99-K101 VanDerWaalsContact C-N 3.31Å; I99-K101 PolarHBondContact O-N 3.48Å; I99-V102 PolarHBondContact O-N 3.21Å; I99-V102 VanDerWaalsContact O-N 3.13Å; I99-L103 HydrophobicContact CG2-CD1 3.78Å; I99-L103 HydrophobicContact CG2-CG 4.15Å; I99-L103 WeakPolarHBondContact O-CB 3.22Å; I99-L103 VanDerWaalsContact O-CG 3.3Å; I99-L103 WeakPolarHBondContact O-CG 3.41Å; I99-L103 PolarHBondContact O-N 2.86Å; I99-L116 HydrophobicContact CB-CD1 4.34Å; I99-L116 HydrophobicContact CG2-CD1 3.97Å; I99-L119 HydrophobicContact CD1-CD2 4.24Å; I99-L119 HydrophobicContact CG2-CD2 4.06Å
100S82.4Confident77.2Confident33 Ų3384.4 Ų84.423%0.23147%0.467CS..Hα-helixtrans-59.5-41.7176.6720000111.8W96 Q97 V102 L103 A104W96-S100 WeakPolarHBondContact O-CB 3.48Å; W96-S100 PolarHBondContact O-N 2.88Å; W96-S100 PolarHBondContact O-OG 2.87Å; Q97-S100 WeakPolarHBondContact CA-OG 3.45Å; Q97-S100 PolarHBondContact O-OG 3.11Å; S100-V102 VanDerWaalsContact C-N 3.33Å; S100-V102 PolarHBondContact O-N 3.29Å; S100-L103 PolarHBondContact O-N 2.88Å; S100-A104 WeakPolarHBondContact O-CB 3.47Å; S100-A104 PolarHBondContact O-N 2.8Å
101K84.6Confident79Confident152 Ų15284.3 Ų84.366%0.66146%0.461SS*.Hα-helixtrans-63.7-35.7175.9-173.6174.9-177.21760112.8Q97 L98 I99 R105Q97-K101 WeakPolarHBondContact O-CB 3.22Å; Q97-K101 PolarHBondContact O-N 2.94Å; Q97-K101 VanDerWaalsContact O-N 3.14Å; L98-K101 PolarHBondContact O-N 3.05Å; I99-K101 VanDerWaalsContact C-N 3.31Å; I99-K101 PolarHBondContact O-N 3.48Å; K101-R105 WeakPolarHBondContact O-CG 3.49Å
102V87.8Confident80.3Confident83 Ų8384 Ų8450%0.50346%0.46SS..Hα-helixtrans-72.9-44.6175173.90000110.6L98 I99 S100 A104 R105 H106L98-V102 WeakPolarHBondContact O-CG2 3.11Å; L98-V102 PolarHBondContact O-N 2.72Å; I99-V102 PolarHBondContact O-N 3.21Å; I99-V102 VanDerWaalsContact O-N 3.13Å; S100-V102 VanDerWaalsContact C-N 3.33Å; S100-V102 PolarHBondContact O-N 3.29Å; V102-A104 VanDerWaalsContact C-N 3.29Å; V102-A104 PolarHBondContact O-N 3.15Å; V102-R105 WeakPolarHBondContact O-CB 3.14Å; V102-R105 PolarHBondContact O-N 2.9Å; V102-H106 PolarHBondContact O-CD2 3.1Å
103L85.9Confident81.4Confident20 Ų2083.4 Ų83.411%0.10546%0.457CS..Hα-helixtrans-60.9-39.6177.9-70172.9000111.6I99 S100 R105 H106 F107 A112 V115 L116I99-L103 HydrophobicContact CG2-CD1 3.78Å; I99-L103 HydrophobicContact CG2-CG 4.15Å; I99-L103 WeakPolarHBondContact O-CB 3.22Å; I99-L103 VanDerWaalsContact O-CG 3.3Å; I99-L103 WeakPolarHBondContact O-CG 3.41Å; I99-L103 PolarHBondContact O-N 2.86Å; S100-L103 PolarHBondContact O-N 2.88Å; L103-R105 PolarHBondContact O-N 2.85Å; L103-R105 VanDerWaalsContact O-N 3.11Å; L103-H106 PolarHBondContact O-N 2.86Å; L103-F107 HydrophobicContact CB-CD2 4.45Å; L103-F107 HydrophobicContact CD2-CD2 3.77Å; L103-F107 HydrophobicContact CD2-CE2 3.77Å; L103-F107 WeakPolarHBondContact O-CB 3.35Å; L103-F107 PolarHBondContact O-N 3.37Å; L103-A112 HydrophobicContact CB-CB 3.88Å; L103-V115 HydrophobicContact CD1-CB 4.31Å; L103-V115 HydrophobicContact CD1-CG1 4.02Å; L103-V115 HydrophobicContact CD2-CB 4.44Å; L103-V115 HydrophobicContact CD2-CG1 3.82Å; L103-L116 HydrophobicContact CD1-CB 4.07Å; L103-L116 HydrophobicContact CD1-CD1 4.44Å
104A84.1Confident82.6Confident69 Ų6986.8 Ų86.857%0.5746%0.456SS*.Hα-helixtrans-62.2-16.5176.100000114.2S100 V102S100-A104 WeakPolarHBondContact O-CB 3.47Å; S100-A104 PolarHBondContact O-N 2.8Å; V102-A104 VanDerWaalsContact C-N 3.29Å; V102-A104 PolarHBondContact O-N 3.15Å
105R84.3Confident83.4Confident204 Ų20483.5 Ų83.577%0.7745%0.445SS*.Hα-helixtrans-85.6-19.1175.5-64.6175.172.6-179.72.8113.3K101 V102 L103K101-R105 WeakPolarHBondContact O-CG 3.49Å; V102-R105 WeakPolarHBondContact O-CB 3.14Å; V102-R105 PolarHBondContact O-N 2.9Å; L103-R105 PolarHBondContact O-N 2.85Å; L103-R105 VanDerWaalsContact O-N 3.11Å
106H81.5Confident83.7Confident143 Ų14381.9 Ų81.966%0.66243%0.434SS*.Hα-helixtrans-123.6-18.7-170.3-67.9-77.8000113.8V102 L103V102-H106 PolarHBondContact O-CD2 3.1Å; L103-H106 PolarHBondContact O-N 2.86Å
107F84.5Confident83.7Confident100 Ų10085.5 Ų85.544%0.43945%0.452SS..SBendtrans-126.1155.5-176.5-64.8-89.6000111.3L103 D111 A112L103-F107 HydrophobicContact CB-CD2 4.45Å; L103-F107 HydrophobicContact CD2-CD2 3.77Å; L103-F107 HydrophobicContact CD2-CE2 3.77Å; L103-F107 WeakPolarHBondContact O-CB 3.35Å; L103-F107 PolarHBondContact O-N 3.37Å; F107-D111 HydrophobicContact CB-CB 4.2Å; F107-D111 HydrophobicContact CD1-CB 4.25Å; F107-A112 HydrophobicContact CB-CB 4.06Å
108S85.6Confident84Confident75 Ų7584 Ų8452%0.52445%0.445SS..  trans-61.4152.6167.2-178.80000110.2A110 D111 A112S108-A110 PolarHBondContact O-N 2.88Å; S108-A110 VanDerWaalsContact O-N 3.1Å; S108-D111 PolarHBondContact O-N 2.66Å; S108-A112 WeakPolarHBondContact O-CB 3.41Å; S108-A112 PolarHBondContact O-N 3.28Å
109A77.4Confident84.1Confident77 Ų7783.2 Ų83.264%0.63644%0.441SS*.Hα-helixtrans-53.1-35.7-179.400000112.9S113A109-S113 WeakPolarHBondContact O-CB 3.28Å; A109-S113 PolarHBondContact O-N 2.74Å; A109-S113 PolarHBondContact O-OG 3.41Å
110A80.3Confident84.1Confident62 Ų6283.1 Ų83.151%0.51244%0.44SS..Hα-helixtrans-68.5-45.9176.500000112.4S108 S113 R114S108-A110 PolarHBondContact O-N 2.88Å; S108-A110 VanDerWaalsContact O-N 3.1Å; A110-S113 PolarHBondContact O-N 3.09Å; A110-R114 WeakPolarHBondContact O-CG 3.33Å; A110-R114 PolarHBondContact O-N 2.88Å; A110-R114 VanDerWaalsContact O-N 3.13Å
111D84.7Confident84.1Confident69 Ų6987.7 Ų87.737%0.36945%0.452SS..Hα-helixtrans-73-38.9-179.2-65.7-53.3000112.1F107 S108 S113 R114 V115F107-D111 HydrophobicContact CB-CB 4.2Å; F107-D111 HydrophobicContact CD1-CB 4.25Å; S108-D111 PolarHBondContact O-N 2.66Å; D111-S113 VanDerWaalsContact C-N 3.27Å; D111-S113 PolarHBondContact O-N 3.13Å; D111-R114 PolarHBondContact O-N 3.42Å; D111-R114 IonicContact OD1-NH1 3.73Å; D111-V115 WeakPolarHBondContact O-CB 3.23Å; D111-V115 VanDerWaalsContact O-CG2 3.29Å; D111-V115 WeakPolarHBondContact O-CG2 3.4Å; D111-V115 PolarHBondContact O-N 2.93Å
112A82.8Confident83.9Confident10 Ų1084 Ų848%0.08344%0.439CS..Hα-helixtrans-56.7-43.517400000111.2L103 F107 S108 L116L103-A112 HydrophobicContact CB-CB 3.88Å; F107-A112 HydrophobicContact CB-CB 4.06Å; S108-A112 WeakPolarHBondContact O-CB 3.41Å; S108-A112 PolarHBondContact O-N 3.28Å; A112-L116 VanDerWaalsContact O-CB 3.31Å; A112-L116 WeakPolarHBondContact O-CB 3.48Å; A112-L116 PolarHBondContact O-N 2.78Å
113S80.6Confident83.6Confident69 Ų6984.2 Ų84.248%0.48343%0.432SS..Hα-helixtrans-64.9-44.8176.8-56.20000111.4A109 A110 D111 V115 L116 E117A109-S113 WeakPolarHBondContact O-CB 3.28Å; A109-S113 PolarHBondContact O-N 2.74Å; A109-S113 PolarHBondContact O-OG 3.41Å; A110-S113 PolarHBondContact O-N 3.09Å; D111-S113 VanDerWaalsContact C-N 3.27Å; D111-S113 PolarHBondContact O-N 3.13Å; S113-V115 PolarHBondContact O-N 2.87Å; S113-L116 PolarHBondContact O-N 2.92Å; S113-E117 WeakPolarHBondContact O-CB 3.39Å; S113-E117 VanDerWaalsContact O-CG 3.23Å; S113-E117 WeakPolarHBondContact O-CG 3.49Å; S113-E117 PolarHBondContact O-N 3.12Å
114R85Confident83.2Confident178 Ų17888.1 Ų88.167%0.67245%0.449SS*.Hα-helixtrans-64-40178.7-69.7174.672.9-140.21.7112.8A110 D111 Q118A110-R114 WeakPolarHBondContact O-CG 3.33Å; A110-R114 PolarHBondContact O-N 2.88Å; A110-R114 VanDerWaalsContact O-N 3.13Å; D111-R114 PolarHBondContact O-N 3.42Å; D111-R114 IonicContact OD1-NH1 3.73Å; R114-Q118 VanDerWaalsContact O-CB 3.28Å; R114-Q118 WeakPolarHBondContact O-CB 3.28Å; R114-Q118 PolarHBondContact O-N 3.35Å
115V86.3Confident82.8Confident59 Ų5991.4 Ų91.436%0.35845%0.447SS..Hα-helixtrans-67.6-42.5177.1172.50000110.5L103 D111 S113 Q118 L119L103-V115 HydrophobicContact CD1-CB 4.31Å; L103-V115 HydrophobicContact CD1-CG1 4.02Å; L103-V115 HydrophobicContact CD2-CB 4.44Å; L103-V115 HydrophobicContact CD2-CG1 3.82Å; D111-V115 WeakPolarHBondContact O-CB 3.23Å; D111-V115 VanDerWaalsContact O-CG2 3.29Å; D111-V115 WeakPolarHBondContact O-CG2 3.4Å; D111-V115 PolarHBondContact O-N 2.93Å; S113-V115 PolarHBondContact O-N 2.87Å; V115-Q118 PolarHBondContact O-N 3.07Å; V115-L119 WeakPolarHBondContact O-CB 3.36Å; V115-L119 PolarHBondContact O-N 2.77Å
116L85.8Confident82.3Confident26 Ų2684.6 Ų84.614%0.13643%0.431CS..Hα-helixtrans-61.9-48.5177.1-174.466000111.6W96 I99 L103 A112 S113 Q118 L119 Q120W96-L116 HydrophobicContact CE3-CD1 3.75Å; W96-L116 HydrophobicContact CZ3-CD1 4.42Å; I99-L116 HydrophobicContact CB-CD1 4.34Å; I99-L116 HydrophobicContact CG2-CD1 3.97Å; L103-L116 HydrophobicContact CD1-CB 4.07Å; L103-L116 HydrophobicContact CD1-CD1 4.44Å; A112-L116 VanDerWaalsContact O-CB 3.31Å; A112-L116 WeakPolarHBondContact O-CB 3.48Å; A112-L116 PolarHBondContact O-N 2.78Å; S113-L116 PolarHBondContact O-N 2.92Å; L116-Q118 VanDerWaalsContact C-N 3.28Å; L116-Q118 PolarHBondContact O-N 3.45Å; L116-L119 PolarHBondContact O-N 2.88Å; L116-Q120 WeakPolarHBondContact O-CB 3.25Å; L116-Q120 WeakPolarHBondContact O-CG 3.32Å; L116-Q120 PolarHBondContact O-N 2.95Å
117E84.3Confident81.8Confident101 Ų10179.2 Ų79.247%0.47241%0.407SS..Hα-helixtrans-61.1-36.1176-73.5-72.6118.800112.4S113 R121S113-E117 WeakPolarHBondContact O-CB 3.39Å; S113-E117 VanDerWaalsContact O-CG 3.23Å; S113-E117 WeakPolarHBondContact O-CG 3.49Å; S113-E117 PolarHBondContact O-N 3.12Å; E117-R121 WeakPolarHBondContact O-CB 3.5Å; E117-R121 VanDerWaalsContact O-CG 3.32Å; E117-R121 WeakPolarHBondContact O-CG 3.14Å; E117-R121 PolarHBondContact O-N 2.89Å; E117-R121 PolarHBondContact O-NE 2.91Å
118Q87.4Confident81Confident95 Ų9579.5 Ų79.544%0.44442%0.421SS..Hα-helixtrans-69.6-41.8176.5-172.459.140.300111.5R114 V115 L116 R121 D122R114-Q118 VanDerWaalsContact O-CB 3.28Å; R114-Q118 WeakPolarHBondContact O-CB 3.28Å; R114-Q118 PolarHBondContact O-N 3.35Å; V115-Q118 PolarHBondContact O-N 3.07Å; L116-Q118 VanDerWaalsContact C-N 3.28Å; L116-Q118 PolarHBondContact O-N 3.45Å; Q118-R121 PolarHBondContact O-N 3.2Å; Q118-D122 WeakPolarHBondContact O-CB 3.23Å; Q118-D122 PolarHBondContact O-N 3.3Å
119L86.5Confident80.2Confident75 Ų7584.6 Ų84.639%0.39343%0.429SS..Hα-helixtrans-68.8-40.5-180-17662.7000111.9W96 I99 V115 L116 D122 Y123W96-L119 HydrophobicContact CH2-CG 4.09Å; W96-L119 HydrophobicContact CZ3-CB 4.32Å; W96-L119 HydrophobicContact CZ3-CD2 3.77Å; W96-L119 HydrophobicContact CZ3-CG 3.75Å; I99-L119 HydrophobicContact CD1-CD2 4.24Å; I99-L119 HydrophobicContact CG2-CD2 4.06Å; V115-L119 WeakPolarHBondContact O-CB 3.36Å; V115-L119 PolarHBondContact O-N 2.77Å; L116-L119 PolarHBondContact O-N 2.88Å; L119-D122 PolarHBondContact O-N 2.98Å; L119-Y123 WeakPolarHBondContact O-CB 3.37Å; L119-Y123 PolarHBondContact O-N 3.33Å
120Q84.3Confident79.6Confident45 Ų4584.7 Ų84.721%0.2142%0.418CS..Hα-helixtrans-59.5-48.7173.6-77.3176.9-14.400111.3W96 L116 D122 Y123 E124W96-Q120 HydrophobicContact CD2-CG 3.68Å; W96-Q120 HydrophobicContact CE3-CG 3.76Å; W96-Q120 HydrophobicContact CG-CG 4.39Å; W96-Q120 HydrophobicContact CH2-CB 4.36Å; W96-Q120 HydrophobicContact CH2-CG 3.74Å; W96-Q120 HydrophobicContact CZ2-CB 4.31Å; W96-Q120 HydrophobicContact CZ2-CG 3.63Å; W96-Q120 HydrophobicContact CZ3-CG 3.8Å; L116-Q120 WeakPolarHBondContact O-CB 3.25Å; L116-Q120 WeakPolarHBondContact O-CG 3.32Å; L116-Q120 PolarHBondContact O-N 2.95Å; Q120-D122 VanDerWaalsContact C-N 3.32Å; Q120-D122 PolarHBondContact O-N 3.37Å; Q120-Y123 WeakPolarHBondContact O-CB 3.45Å; Q120-Y123 PolarHBondContact O-N 3.32Å; Q120-E124 PolarHBondContact O-N 2.87Å
121R81.6Confident79Confident129 Ų12985.4 Ų85.449%0.48742%0.416SS..Hα-helixtrans-61.4-38.2176.9-76.8-177.3-71.1177.8-0.7113.2E117 Q118 R125E117-R121 WeakPolarHBondContact O-CB 3.5Å; E117-R121 VanDerWaalsContact O-CG 3.32Å; E117-R121 WeakPolarHBondContact O-CG 3.14Å; E117-R121 PolarHBondContact O-N 2.89Å; E117-R121 PolarHBondContact O-NE 2.91Å; Q118-R121 PolarHBondContact O-N 3.2Å; R121-R125 VanDerWaalsContact O-CB 3.28Å; R121-R125 WeakPolarHBondContact O-CB 3.44Å; R121-R125 PolarHBondContact O-N 2.82Å
122D80.3Confident77.7Confident75 Ų7588.1 Ų88.140%0.40143%0.43SS..Hα-helixtrans-69.7-37178-160.5-105.6000111.9Q118 L119 Q120 R125 S126Q118-D122 WeakPolarHBondContact O-CB 3.23Å; Q118-D122 PolarHBondContact O-N 3.3Å; L119-D122 PolarHBondContact O-N 2.98Å; Q120-D122 VanDerWaalsContact C-N 3.32Å; Q120-D122 PolarHBondContact O-N 3.37Å; D122-R125 PolarHBondContact O-N 2.94Å; D122-S126 VanDerWaalsContact O-CB 3.32Å; D122-S126 WeakPolarHBondContact O-CB 3.5Å; D122-S126 PolarHBondContact O-N 2.8Å; D122-S126 PolarHBondContact O-OG 2.8Å
123Y81.9Confident77Confident88 Ų8892.2 Ų92.235%0.34545%0.451SS..Hα-helixtrans-63.8-49.7173.8-177.3-99.3000111.9P91 W96 L119 Q120 R125 S126 L127P91-Y123 HydrophobicContact CG-CD1 3.77Å; P91-Y123 HydrophobicContact CG-CE1 3.25Å; P91-Y123 HydrophobicContact CG-CE2 4.41Å; W96-Y123 HydrophobicContact CH2-CG 4.35Å; W96-Y123 HydrophobicContact CZ2-CD1 4.07Å; W96-Y123 HydrophobicContact CZ2-CG 4.15Å; L119-Y123 WeakPolarHBondContact O-CB 3.37Å; L119-Y123 PolarHBondContact O-N 3.33Å; Q120-Y123 WeakPolarHBondContact O-CB 3.45Å; Q120-Y123 PolarHBondContact O-N 3.32Å; Y123-R125 VanDerWaalsContact C-N 3.31Å; Y123-R125 PolarHBondContact O-N 3.18Å; Y123-S126 WeakPolarHBondContact O-CB 3.22Å; Y123-S126 PolarHBondContact O-N 2.91Å; Y123-S126 VanDerWaalsContact O-N 3.14Å; Y123-L127 HydrophobicContact CD1-CD1 3.52Å; Y123-L127 HydrophobicContact CD1-CG 4.27Å; Y123-L127 HydrophobicContact CE1-CD1 3.05Å; Y123-L127 HydrophobicContact CE1-CD2 4.43Å; Y123-L127 HydrophobicContact CE1-CG 3.88Å; Y123-L127 HydrophobicContact CE2-CD1 4.47Å; Y123-L127 HydrophobicContact CG-CD1 4.4Å; Y123-L127 WeakPolarHBondContact O-CG 3.48Å; Y123-L127 PolarHBondContact O-N 2.82Å
124E77.6Confident76.5Confident101 Ų10191.9 Ų91.947%0.47244%0.444SS..Hα-helixtrans-61.4-39176.8-72.417990.700112.3Q120 L127 S128Q120-E124 PolarHBondContact O-N 2.87Å; E124-L127 PolarHBondContact O-N 2.96Å; E124-S128 WeakPolarHBondContact O-CB 3.38Å; E124-S128 PolarHBondContact O-N 3.35Å; E124-S128 PolarHBondContact O-OG 3.28Å
125R76.6Confident75.5Confident138 Ų13888 Ų8852%0.52144%0.435SS..Hα-helixtrans-65.6-40.8174.9-175.6-172.4-66.4164.2-4.7111.5R121 D122 Y123 S128 R129R121-R125 VanDerWaalsContact O-CB 3.28Å; R121-R125 WeakPolarHBondContact O-CB 3.44Å; R121-R125 PolarHBondContact O-N 2.82Å; D122-R125 PolarHBondContact O-N 2.94Å; Y123-R125 VanDerWaalsContact C-N 3.31Å; Y123-R125 PolarHBondContact O-N 3.18Å; R125-S128 PolarHBondContact O-N 2.8Å; R125-R129 WeakPolarHBondContact O-CB 3.46Å; R125-R129 VanDerWaalsContact O-CG 3.28Å; R125-R129 WeakPolarHBondContact O-CG 3.38Å; R125-R129 PolarHBondContact O-N 3.32Å; R125-R129 VanDerWaalsContact O-N 3.13Å
126S74.1Confident74.6Confident61 Ų6190.8 Ų90.843%0.42744%0.444SS..Hα-helixtrans-63.4-47.6177.2-640000110.3D122 Y123 S128 R129 L130D122-S126 VanDerWaalsContact O-CB 3.32Å; D122-S126 WeakPolarHBondContact O-CB 3.5Å; D122-S126 PolarHBondContact O-N 2.8Å; D122-S126 PolarHBondContact O-OG 2.8Å; Y123-S126 WeakPolarHBondContact O-CB 3.22Å; Y123-S126 PolarHBondContact O-N 2.91Å; Y123-S126 VanDerWaalsContact O-N 3.14Å; S126-S128 PolarHBondContact O-N 2.88Å; S126-R129 CarbonylContact O-C 3.54Å; S126-R129 PolarHBondContact O-N 2.97Å; S126-R129 VanDerWaalsContact O-N 3.1Å; S126-L130 WeakPolarHBondContact O-CG 3.36Å; S126-L130 PolarHBondContact O-N 2.87Å
127L69.8Low73.8Confident31 Ų3197.9 Ų97.916%0.16247%0.469CS..Hα-helixtrans-57.8-46.5175.2-73.8169.9000112.8D89 Y123 E124 R129 L130D89-L127 WeakPolarHBondContact O-CD1 3.31Å; D89-L127 WeakPolarHBondContact OD1-CB 3.32Å; D89-L127 VanDerWaalsContact OD1-CD1 3.3Å; D89-L127 WeakPolarHBondContact OD1-CD1 3.36Å; Y123-L127 HydrophobicContact CD1-CD1 3.52Å; Y123-L127 HydrophobicContact CD1-CG 4.27Å; Y123-L127 HydrophobicContact CE1-CD1 3.05Å; Y123-L127 HydrophobicContact CE1-CD2 4.43Å; Y123-L127 HydrophobicContact CE1-CG 3.88Å; Y123-L127 HydrophobicContact CE2-CD1 4.47Å; Y123-L127 HydrophobicContact CG-CD1 4.4Å; Y123-L127 WeakPolarHBondContact O-CG 3.48Å; Y123-L127 PolarHBondContact O-N 2.82Å; E124-L127 PolarHBondContact O-N 2.96Å; L127-R129 PolarHBondContact O-N 3.45Å; L127-L130 HydrophobicContact CD2-CD1 3.78Å; L127-L130 WeakPolarHBondContact O-CB 3.45Å; L127-L130 PolarHBondContact O-N 3.18Å
128S68.4Low72.7Confident106 Ų106101.3 Ų101.374%0.74148%0.478SS*.Hα-helixtrans-64.7-20.8178.8-58.10000113.3E124 R125 S126E124-S128 WeakPolarHBondContact O-CB 3.38Å; E124-S128 PolarHBondContact O-N 3.35Å; E124-S128 PolarHBondContact O-OG 3.28Å; R125-S128 PolarHBondContact O-N 2.8Å; S126-S128 PolarHBondContact O-N 2.88Å
129R68.8Low71.4Confident182 Ų182100.1 Ų100.169%0.68748%0.484SS*.Hα-helixtrans-102.3-2.6-179.7-72.3178.367.9-159.10.5113.5R125 S126 L127 T131R125-R129 WeakPolarHBondContact O-CB 3.46Å; R125-R129 VanDerWaalsContact O-CG 3.28Å; R125-R129 WeakPolarHBondContact O-CG 3.38Å; R125-R129 PolarHBondContact O-N 3.32Å; R125-R129 VanDerWaalsContact O-N 3.13Å; S126-R129 CarbonylContact O-C 3.54Å; S126-R129 PolarHBondContact O-N 2.97Å; S126-R129 VanDerWaalsContact O-N 3.1Å; L127-R129 PolarHBondContact O-N 3.45Å; R129-T131 PolarHBondContact O-N 3.13Å
130L64.3Low70.2Confident78 Ų78104.1 Ų104.141%0.40850%0.501SS..  trans-61.7107.1178.5-80165.2000109.5S126 L127 D134S126-L130 WeakPolarHBondContact O-CG 3.36Å; S126-L130 PolarHBondContact O-N 2.87Å; L127-L130 HydrophobicContact CD2-CD1 3.78Å; L127-L130 WeakPolarHBondContact O-CB 3.45Å; L127-L130 PolarHBondContact O-N 3.18Å; L130-D134 HydrophobicContact CD2-CB 4.08Å
131T68.1Low69Low77 Ų77108.6 Ų108.647%0.47253%0.526SS..  trans-92.7165.9171.467.50000110.5R129 D133 D134 I135R129-T131 PolarHBondContact O-N 3.13Å; T131-D133 PolarHBondContact O-N 3.47Å; T131-D134 PolarHBondContact N-OD2 3.39Å; T131-D134 VanDerWaalsContact N-OD2 3.1Å; T131-D134 WeakPolarHBondContact O-CB 3.3Å; T131-D134 PolarHBondContact O-N 2.93Å; T131-D134 VanDerWaalsContact O-N 3.08Å; T131-D134 PolarHBondContact OG1-N 3.03Å; T131-D134 PolarHBondContact OG1-OD2 3.39Å; T131-I135 PolarHBondContact O-N 2.85Å; T131-I135 VanDerWaalsContact O-N 3.16Å
132L56.3Low67.6Low127 Ų127107 Ų10767%0.66553%0.527SS*.Hα-helixtrans-55.5-35174.8-170.367.7000111.7I135 E136L132-I135 WeakPolarHBondContact O-CB 3.36Å; L132-I135 PolarHBondContact O-N 3.15Å; L132-E136 WeakPolarHBondContact O-CG 3.41Å; L132-E136 PolarHBondContact O-N 3.35Å
133D69.3Low65.9Low96 Ų96108.1 Ų108.151%0.51354%0.54SS..Hα-helixtrans-66.3-37.1177.5-155.5-86.8000112.3T131 E136 R137T131-D133 PolarHBondContact O-N 3.47Å; D133-E136 PolarHBondContact O-N 2.74Å; D133-R137 WeakPolarHBondContact O-CB 3.29Å; D133-R137 WeakPolarHBondContact O-CG 3.49Å; D133-R137 PolarHBondContact O-N 3.22Å; D133-R137 IonicContact OD1-NE 3.71Å
134D69.2Low64.1Low62 Ų62114.4 Ų114.433%0.33256%0.564SS.*Hα-helixtrans-65.5-40.4173.6-67.5-76.5000111.5L130 T131 R137 W138L130-D134 HydrophobicContact CD2-CB 4.08Å; T131-D134 PolarHBondContact N-OD2 3.39Å; T131-D134 VanDerWaalsContact N-OD2 3.1Å; T131-D134 WeakPolarHBondContact O-CB 3.3Å; T131-D134 PolarHBondContact O-N 2.93Å; T131-D134 VanDerWaalsContact O-N 3.08Å; T131-D134 PolarHBondContact OG1-N 3.03Å; T131-D134 PolarHBondContact OG1-OD2 3.39Å; D134-R137 PolarHBondContact O-N 3.13Å; D134-W138 WeakPolarHBondContact O-CB 3.48Å; D134-W138 PolarHBondContact O-N 3.16Å
135I65.5Low62.2Low95 Ų95117.4 Ų117.449%0.48758%0.578SS.*Hα-helixtrans-64-43.9176.4-61.8169.5000110.1T131 L132 W138 A139T131-I135 PolarHBondContact O-N 2.85Å; T131-I135 VanDerWaalsContact O-N 3.16Å; L132-I135 WeakPolarHBondContact O-CB 3.36Å; L132-I135 PolarHBondContact O-N 3.15Å; I135-W138 PolarHBondContact O-N 2.76Å; I135-A139 WeakPolarHBondContact O-CB 3.32Å; I135-A139 PolarHBondContact O-N 3.13Å
136E66.1Low60.3Low119 Ų119116.4 Ų116.456%0.55659%0.586SS**Hα-helixtrans-65.9-41.2177.6-73.1-174.792.200112.2L132 D133 A139 H140L132-E136 WeakPolarHBondContact O-CG 3.41Å; L132-E136 PolarHBondContact O-N 3.35Å; D133-E136 PolarHBondContact O-N 2.74Å; E136-A139 PolarHBondContact O-N 3.14Å; E136-H140 WeakPolarHBondContact O-CB 3.46Å; E136-H140 PolarHBondContact O-N 3.29Å
137R69.4Low58.3Low175 Ų175119 Ų11966%0.6660%0.602SS**Hα-helixtrans-61.6-43.2172.7-84-177176.2-139.4-3.5112.7D133 D134 A139 H140 N141D133-R137 WeakPolarHBondContact O-CB 3.29Å; D133-R137 WeakPolarHBondContact O-CG 3.49Å; D133-R137 PolarHBondContact O-N 3.22Å; D133-R137 IonicContact OD1-NE 3.71Å; D134-R137 PolarHBondContact O-N 3.13Å; R137-A139 VanDerWaalsContact C-N 3.35Å; R137-H140 PolarHBondContact O-N 2.83Å; R137-N141 WeakPolarHBondContact O-CB 3.39Å; R137-N141 PolarHBondContact O-N 3.11Å
138W61.4Low56.9Low173 Ų173121.1 Ų121.166%0.65563%0.631SS**Hα-helixtrans-64.6-40.8177.8-84.343.5000111.8D134 I135 H140 N141 N142D134-W138 WeakPolarHBondContact O-CB 3.48Å; D134-W138 PolarHBondContact O-N 3.16Å; I135-W138 PolarHBondContact O-N 2.76Å; W138-H140 VanDerWaalsContact C-N 3.34Å; W138-N141 PolarHBondContact O-N 3.36Å; W138-N142 WeakPolarHBondContact O-CB 3.37Å; W138-N142 PolarHBondContact O-N 3.32Å; W138-N142 VanDerWaalsContact O-N 3.07Å
139A60.8Low55.4Low69 Ų69121 Ų12157%0.5763%0.63SS**Hα-helixtrans-63.8-39.2175.600000112I135 E136 R137I135-A139 WeakPolarHBondContact O-CB 3.32Å; I135-A139 PolarHBondContact O-N 3.13Å; E136-A139 PolarHBondContact O-N 3.14Å; R137-A139 VanDerWaalsContact C-N 3.35Å
140H60.5Low54Low160 Ų160116.4 Ų116.474%0.74164%0.639SS**Hα-helixtrans-69.6-39.2178-168.7-84.9000112.6E136 R137 W138E136-H140 WeakPolarHBondContact O-CB 3.46Å; E136-H140 PolarHBondContact O-N 3.29Å; R137-H140 PolarHBondContact O-N 2.83Å; W138-H140 VanDerWaalsContact C-N 3.34Å
141N58.1Low52.6Low138 Ų138120.2 Ų120.274%0.73866%0.655SS**Hα-helixtrans-78.4-22.5-178-157.759.7000113.5R137 W138R137-N141 WeakPolarHBondContact O-CB 3.39Å; R137-N141 PolarHBondContact O-N 3.11Å; W138-N141 PolarHBondContact O-N 3.36Å
142N53.2Low51.3Low97 Ų97123.6 Ų123.652%0.51968%0.675SS.*THydrogen-bonded Turntrans-100.733.2173.7-73.4-31.5000112.5W138 W144W138-N142 WeakPolarHBondContact O-CB 3.37Å; W138-N142 PolarHBondContact O-N 3.32Å; W138-N142 VanDerWaalsContact O-N 3.07Å; N142-W144 PolarHBondContact O-N 3.13Å
143S44.5Very low50.4Low97 Ų97125 Ų12568%0.67868%0.683SS**  trans-66.686.1170.7-165.40000109.2H145S143-H145 VanDerWaalsContact C-N 3.3Å; S143-H145 PolarHBondContact O-N 2.83Å
144W44Very low48.8Very low220 Ų220123 Ų12383%0.83368%0.684SS**  trans-62.296.7168.1-67.694.9000107.2N142 V146N142-W144 PolarHBondContact O-N 3.13Å; W144-V146 PolarHBondContact O-N 3.37Å
145H38.8Very low47.5Very low165 Ų165125.7 Ų125.776%0.76470%0.703SS**  trans-60.9105.3167.2-160.2-45.5000106.9S143 P147S143-H145 VanDerWaalsContact C-N 3.3Å; S143-H145 PolarHBondContact O-N 2.83Å; H145-P147 WeakPolarHBondContact O-CD 3.41Å
146V36.6Very low46.4Very low116 Ų116126.7 Ų126.770%0.70372%0.716SS**  trans-78.3108.8168.7-151.50000105.5W144 G148W144-V146 PolarHBondContact O-N 3.37Å; V146-G148 PolarHBondContact O-N 3.01Å
147P31.6Very low45.1Very low117 Ų117128.9 Ų128.976%0.7673%0.726SS**THydrogen-bonded Turntrans-78.7113.5178.328.3-21.7000107.6H145H145-P147 WeakPolarHBondContact O-CD 3.41Å
148G40.6Very low43.7Very low75 Ų75125 Ų12577%0.77373%0.726SS**THydrogen-bonded Turntrans131.923.7169.400000117.5V146V146-G148 PolarHBondContact O-N 3.01Å
149S36.1Very low42.9Very low103 Ų103123.9 Ų123.972%0.7273%0.732SS**  trans-13098.3166.5-65.20000109.7H151S149-H151 PolarHBondContact O-N 3.1Å
150G39.8Very low42.1Very low85 Ų85125.4 Ų125.488%0.87673%0.734SS**  trans-70.860.617300000111.9
151H33.9Very low40.8Very low158 Ų158127.6 Ų127.673%0.73174%0.736SS**  trans-136.2107.3168.5-108.3-105.5000108.6S149 L153S149-H151 PolarHBondContact O-N 3.1Å; H151-L153 VanDerWaalsContact C-N 3.34Å; H151-L153 PolarHBondContact O-N 2.88Å
152V41Very low40Very low148 Ų148125.8 Ų125.890%0.89773%0.729SS**  trans-66.297.1163.41710000106.6G154V152-G154 PolarHBondContact O-N 3.11Å
153L37.7Very low39.5Very low158 Ų158125.9 Ų125.983%0.82774%0.737SS**  trans-85.6107162.7-77.3170.8000107.2H151H151-L153 VanDerWaalsContact C-N 3.34Å; H151-L153 PolarHBondContact O-N 2.88Å
154G36.1Very low39Very low53 Ų53129.8 Ų129.855%0.54674%0.742SS.*  trans-60.6146.2-178.700000113.5V152V152-G154 PolarHBondContact O-N 3.11Å
155T42.2Very low38.7Very low118 Ų118124.5 Ų124.572%0.72473%0.726SS**  trans54.8130.6154.560.60000119H157T155-H157 PolarHBondContact O-N 3.43Å
156P42.3Very low38.8Very low117 Ų117122.1 Ų122.176%0.7672%0.724SS**THydrogen-bonded Turntrans-78.322.7-170.433.1-36.1000115.6
157H39.2Very low39Very low164 Ų164124.5 Ų124.576%0.75973%0.731SS**THydrogen-bonded Turntrans-93.1-0.4-176.5-87.9106.5000115.4T155T155-H157 PolarHBondContact O-N 3.43Å
158S40.1Very low39.4Very low95 Ų95129.8 Ų129.866%0.66474%0.736SS**SBendtrans-104.8-17.2-172-137.30000115.2
159L43.4Very low39.3Very low149 Ų149135 Ų13578%0.7873%0.733SS**Hα-helixtrans-94.3-21.5-175.4-75.7162.4000114W161L159-W161 VanDerWaalsContact C-N 3.34Å
160T43.7Very low39.7Very low100 Ų100134 Ų13461%0.61374%0.738SS**Hα-helixtrans-71.3-27.7173.919.10000112.8F164T160-F164 PolarHBondContact O-N 3.01Å
161W34Very low39.4Very low206 Ų206138.2 Ų138.278%0.7874%0.735SS**Hα-helixtrans-74.8-35.1-179.2-12863.1000113.3L159 H165L159-W161 VanDerWaalsContact C-N 3.34Å; W161-H165 PolarHBondContact O-N 2.85Å
162V41.9Very low39.5Very low100 Ų100136.4 Ų136.461%0.60674%0.737SS**Hα-helixtrans-75-36-176178.90000112.1T166V162-T166 PolarHBondContact O-OG1 3.3Å
163C41.3Very low39.2Very low100 Ų100134.7 Ų134.768%0.67674%0.738SS**Hα-helixtrans-76.4-31.7178.4-82.80000113.4
164F34.6Very low39.1Very low179 Ų179135.8 Ų135.879%0.78574%0.74SS**Hα-helixtrans-78.3-28.7-178.1-144.9-95.7000113T160T160-F164 PolarHBondContact O-N 3.01Å
165H38Very low39.4Very low108 Ų108141.8 Ų141.850%0.575%0.753SS.*Hα-helixtrans-85.4-12.4-176.5-150.3-79.6000114.4W161 R169W161-H165 PolarHBondContact O-N 2.85Å; H165-R169 PolarHBondContact CE1-NH2 3.45Å; H165-R169 PolarHBondContact NE2-NH2 3.04Å
166T41.1Very low38.9Very low116 Ų116147.3 Ų147.371%0.71276%0.761SS**SBendtrans-90.2-12.6178.423.60000114.4V162V162-T166 PolarHBondContact O-OG1 3.3Å
167L40.3Very low38.3Very low166 Ų166150.7 Ų150.787%0.86977%0.766SS**SBendtrans-91.8-6.5-178.3-159.764.4000114.1
168R40.8Very low37.9Very low228 Ų228154.4 Ų154.486%0.8677%0.774SS**SBendtrans-124.79.2-172-134.1-159-138.8-166.28.4117.9
169R37.3Very low37.5Very low185 Ų185164.7 Ų164.770%0.69880%0.798SS**  trans-142103.8172.6-87.1-168.7-104.1-158.3-2.4111.2H165 E171H165-R169 PolarHBondContact CE1-NH2 3.45Å; H165-R169 PolarHBondContact NE2-NH2 3.04Å; R169-E171 PolarHBondContact O-N 3.04Å
170G44.4Very low37.2Very low81 Ų81165.5 Ų165.584%0.83580%0.799SS**  trans-74.1105.7153.700000108.4
171E33.8Very low36.8Very low174 Ų174168.9 Ų168.981%0.81381%0.809SS**  trans-160.5148.8157.2-84.9-145.893.400110R169R169-E171 PolarHBondContact O-N 3.04Å
172P36.7Very low37Very low119 Ų119166.9 Ų166.977%0.77381%0.81SS**  trans-78.1142.9-16830.2-34.2000114Q174P172-Q174 PolarHBondContact O-N 3.38Å
173A34.3Very low36.7Very low112 Ų112170.8 Ų170.893%0.92682%0.822SS**  trans-71.1106.6179.100000111.7
174Q36.3Very low36.4Very low182 Ų182175.3 Ų175.385%0.8583%0.831SS**  trans-94.1128.4164.4-160.1143.315.600110.5P172P172-Q174 PolarHBondContact O-N 3.38Å
175Q41.7Very low36.5Very low179 Ų179175 Ų17584%0.83683%0.834SS**  trans-24.8133173.8-62.8166.416.200115.5
176R32Very low36.4Very low234 Ų234179.8 Ų179.888%0.88386%0.858SS**  trans-138.1121.9142.1-69.4-161.7-159.3-103.22.1112
177H30.2Very low36.1Very low188 Ų188184.7 Ų184.787%0.8787%0.87SS**  trans-30.5134.6156.8-118.7-90.8000114
178W30.6Very low35.7Very low241 Ų241186.3 Ų186.391%0.91387%0.87SS**  trans-91.5129.3161.1-66.793.4000108.7
179R30.7Very low35.3Very low312 Ų312182.5 Ų182.5100%1.17787%0.87SS**  trans-105.50155.2-127.8-162.7-151-1035.2107.1

Retrieved 179 of 179 residues in 30.8 ms (Link to these results)

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