A0A2K5VCI2_MACFA Loading...

Sorting nexin 22

AlphaFold DB , UniProt , Accession A0A2K5VCI2, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene SNX22, Length 193 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
1M69.4Low78.4Confident180 Ų18057 Ų5789%0.88732%0.323SS*.  0132.80-162.5161.278.400107.9E3M1-E3 HydrophobicContact CE-CG 4.42Å; M1-E3 WeakPolarHBondContact CE-OE1 3.05Å
2L81.7Confident76.9Confident38 Ų3861.5 Ų61.520%0.19934%0.339CS..EExtended strand (participates in β ladder)trans-103.6119.4-179.5-177.968.5000108.1V31 C33 L91 V97 L107L2-V31 HydrophobicContact CD1-CG1 3.4Å; L2-V31 VanDerWaalsContact CD1-CG1 3.4Å; L2-V31 HydrophobicContact CG-CG1 4.38Å; L2-C33 HydrophobicContact CD1-CB 3.78Å; L2-L91 HydrophobicContact CD2-CD1 4.36Å; L2-L91 HydrophobicContact CD2-CD2 3.79Å; L2-L91 HydrophobicContact CG-CD1 4.45Å; L2-V97 HydrophobicContact CD2-CG1 4.24Å; L2-V97 HydrophobicContact CD2-CG2 4.17Å; L2-L107 HydrophobicContact CD1-CD1 3.98Å; L2-L107 HydrophobicContact CD2-CD1 4.32Å
3E86.3Confident74.9Confident72 Ų7264.1 Ų64.134%0.33637%0.373SS..EExtended strand (participates in β ladder)trans-114.8144.5176.3-56.3174.6-175.400109.6M1 V31 L32M1-E3 HydrophobicContact CE-CG 4.42Å; M1-E3 WeakPolarHBondContact CE-OE1 3.05Å; E3-V31 CarbonylContact O-C 3.57Å; E3-V31 WeakPolarHBondContact O-CA 3.26Å; E3-L32 HydrophobicContact CB-CB 4.1Å; E3-L32 PolarHBondContact N-O 3.38Å; E3-L32 PolarHBondContact O-N 2.89Å
4V86.9Confident73.1Confident2 Ų270.2 Ų70.21%0.01240%0.397CS..EExtended strand (participates in β ladder)trans-133.8132-179.3-1790000109.8V29 E30 V31 I87 Q88 L91 L105V4-V29 HydrophobicContact CG1-CG1 3.61Å; V4-E30 CarbonylContact C-O 3.56Å; V4-E30 WeakPolarHBondContact CA-O 3.15Å; V4-V31 HydrophobicContact CG2-CG1 4.24Å; V4-V31 HydrophobicContact CG2-CG2 4.23Å; V4-I87 HydrophobicContact CB-CG2 3.97Å; V4-I87 HydrophobicContact CG1-CB 4.39Å; V4-I87 HydrophobicContact CG1-CG2 3.78Å; V4-I87 HydrophobicContact CG2-CG2 4.05Å; V4-Q88 WeakPolarHBondContact O-CG 3.44Å; V4-Q88 PolarHBondContact O-NE2 3.33Å; V4-L91 HydrophobicContact CB-CD1 4.17Å; V4-L91 HydrophobicContact CG2-CD1 3.55Å; V4-L105 HydrophobicContact CG2-CD1 4.08Å
5H86.8Confident71.3Confident77 Ų7768.5 Ų68.536%0.35640%0.401SS..EExtended strand (participates in β ladder)trans-132.6155.7177.2-61.492.2000109.9E30 E84H5-E30 HydrophobicContact CB-CB 4.49Å; H5-E30 PolarHBondContact N-O 3.36Å; H5-E30 WeakPolarHBondContact O-CA 3.35Å; H5-E30 PolarHBondContact O-N 2.84Å; H5-E30 VanDerWaalsContact O-O 3.09Å; H5-E84 WeakPolarHBondContact CA-OE1 3.3Å; H5-E84 IonicContact CD2-OE1 2.7Å; H5-E84 IonicContact CG-OE1 3.18Å
6I86.8Confident69.7Low0 Ų073 Ų730%043%0.433CS..EExtended strand (participates in β ladder)trans-122.479.7172.9-54.1-175.9000108S8 F27 Q28 V29 F47 R80 L83 E84I6-S8 VanDerWaalsContact C-N 3.27Å; I6-S8 PolarHBondContact O-N 3.22Å; I6-F27 HydrophobicContact CG2-CB 4.09Å; I6-F27 HydrophobicContact CG2-CD1 4.49Å; I6-Q28 WeakPolarHBondContact CA-O 3.38Å; I6-Q28 WeakPolarHBondContact CG2-O 3.29Å; I6-V29 HydrophobicContact CD1-CG2 4.29Å; I6-V29 HydrophobicContact CG1-CG1 4.46Å; I6-V29 HydrophobicContact CG1-CG2 4.28Å; I6-F47 HydrophobicContact CD1-CE1 4.15Å; I6-F47 HydrophobicContact CD1-CZ 4.26Å; I6-R80 HydrophobicContact CB-CG 3.95Å; I6-R80 HydrophobicContact CG2-CG 3.53Å; I6-R80 WeakPolarHBondContact O-CD 3.29Å; I6-R80 VanDerWaalsContact O-CG 3.28Å; I6-R80 WeakPolarHBondContact O-CG 3.3Å; I6-R80 PolarHBondContact O-NE 3.39Å; I6-R80 PolarHBondContact O-NH1 2.8Å; I6-L83 HydrophobicContact CD1-CB 3.74Å; I6-E84 HydrophobicContact CB-CB 4.23Å; I6-E84 HydrophobicContact CD1-CB 4.05Å; I6-E84 HydrophobicContact CG1-CB 3.94Å; I6-E84 HydrophobicContact CG1-CG 4.49Å; I6-E84 PolarHBondContact N-OE1 3.07Å
7P79.8Confident68.2Low72 Ų7282.6 Ų82.647%0.46846%0.46SS..EExtended strand (participates in β ladder)trans-65.5-25.3-17026.3-38.9000114.4Q28 E30P7-Q28 WeakPolarHBondContact CD-O 3.45Å; P7-E30 HydrophobicContact CG-CB 4.13Å; P7-E30 WeakPolarHBondContact CG-OE2 3.34Å
8S76.3Confident66.9Low39 Ų3986.4 Ų86.427%0.27347%0.474SS..EExtended strand (participates in β ladder)trans-147.7153.1-173.375.10000113.9I6 Q28I6-S8 VanDerWaalsContact C-N 3.27Å; I6-S8 PolarHBondContact O-N 3.22Å; S8-Q28 PolarHBondContact O-N 3.43Å; S8-Q28 WeakPolarHBondContact OG-CB 3.44Å; S8-Q28 WeakPolarHBondContact OG-CG 3.23Å; S8-Q28 PolarHBondContact OG-OE1 3.27Å
9V76.4Confident65.5Low35 Ų3586.7 Ų86.721%0.21248%0.482CS..EExtended strand (participates in β ladder)trans-132.6122.5171.1-176.10000107.5M25 F27 L76 R80V9-M25 HydrophobicContact CG1-CE 3.78Å; V9-F27 HydrophobicContact CB-CD1 4.2Å; V9-F27 HydrophobicContact CB-CE1 4.26Å; V9-F27 HydrophobicContact CG1-CD1 3.92Å; V9-F27 HydrophobicContact CG1-CE1 3.68Å; V9-F27 HydrophobicContact CG1-CG 4.42Å; V9-F27 HydrophobicContact CG1-CZ 4Å; V9-F27 HydrophobicContact CG2-CD1 3.23Å; V9-F27 HydrophobicContact CG2-CE1 3.49Å; V9-F27 VanDerWaalsContact CG2-CE1 3.49Å; V9-F27 HydrophobicContact CG2-CG 4.15Å; V9-L76 HydrophobicContact CG1-CD2 4.4Å; V9-R80 HydrophobicContact CG2-CB 3.54Å; V9-R80 HydrophobicContact CG2-CG 3.43Å; V9-R80 VanDerWaalsContact CG2-CG 3.43Å
10G70.3Confident64.5Low21 Ų2188.2 Ų88.222%0.21650%0.496CS..EExtended strand (participates in β ladder)trans-147.5164.5-177.300000112.4V26G10-V26 PolarHBondContact N-O 2.98Å; G10-V26 VanDerWaalsContact N-O 3.1Å; G10-V26 PolarHBondContact O-N 3.41Å
11P61.5Low63.8Low91 Ų9191.7 Ų91.759%0.59151%0.508SS*.EExtended strand (participates in β ladder)trans-58.6140.1160.228.4-32.3000108.2A13P11-A13 PolarHBondContact O-N 3Å
12E60.8Low62.8Low111 Ų11191.2 Ų91.252%0.51950%0.501SS..  trans-51.8108.7175.8-169165.2-17400109.7E14 H24 V26E12-E14 PolarHBondContact O-N 2.85Å; E12-H24 PolarHBondContact N-O 3.12Å; E12-V26 HydrophobicContact CB-CG2 3.91Å; E12-V26 HydrophobicContact CG-CG2 4.29Å
13A50.8Low61.5Low95 Ų9592.6 Ų92.679%0.78553%0.525SS*.  trans-72.3117.7178.600000108P11 G15P11-A13 PolarHBondContact O-N 3Å; A13-G15 PolarHBondContact O-N 2.9Å
14E49.3Very low60.5Low150 Ų15093.6 Ų93.670%0.70153%0.529SS*.  trans-43.2111.5178-70.6180151.400111.2E12E12-E14 PolarHBondContact O-N 2.85Å
15G46.4Very low59.9Low44 Ų4497 Ų9745%0.45455%0.546SS..  trans-70.8160.1154.200000109.3A13 R17A13-G15 PolarHBondContact O-N 2.9Å; G15-R17 PolarHBondContact O-N 2.87Å
16P45.1Very low59.7Low141 Ų14193.9 Ų93.992%0.91653%0.532SS*.THydrogen-bonded Turntrans-64.310.2-167-2132.1000117.2
17R45.2Very low59.7Low236 Ų23694 Ų9489%0.89153%0.533SS*.THydrogen-bonded Turntrans-147.428.6-170.6-70.1-164.1178.3176.30.5116G15G15-R17 PolarHBondContact O-N 2.87Å
18Q44.6Very low60.1Low152 Ų15294.9 Ų94.971%0.7153%0.531SS*.  trans-135.5127.7170.1-65.5-170.512.300111.4
19S40.3Very low60.6Low91 Ų9193 Ų9364%0.63652%0.518SS*.  trans-58.1156.6-177.143.70000113.3E21S19-E21 VanDerWaalsContact C-N 3.26Å; S19-E21 PolarHBondContact O-N 3.31Å
20P46Very low61.2Low117 Ų11792.9 Ų92.976%0.7652%0.515SS*.  trans-79.871.4-172.235.3-35.8000110.2
21E48.8Very low62.1Low162 Ų16291.9 Ų91.976%0.75750%0.504SS*.  trans-120.288.8-178.4-126.9-179168.700111.1S19S19-E21 VanDerWaalsContact C-N 3.26Å; S19-E21 PolarHBondContact O-N 3.31Å
22K48.6Very low63.3Low170 Ų17090.1 Ų90.174%0.73949%0.49SS*.  trans63.494.5173.4-63.2171.4-178.9177.30113.6H24K22-H24 PolarHBondContact O-N 3.4Å; K22-H24 PolarHBondContact O-ND1 2.84Å
23G54.4Low64.3Low67 Ų6786 Ų8669%0.69147%0.473SS*.  trans-57.693.6169.600000111.3
24H66.1Low65.5Low92 Ų9286.7 Ų86.743%0.42647%0.472SS..  trans-75.6141.3171.7-69.980000108.2E12 K22 V26E12-H24 PolarHBondContact N-O 3.12Å; K22-H24 PolarHBondContact O-N 3.4Å; K22-H24 PolarHBondContact O-ND1 2.84Å; H24-V26 PolarHBondContact O-N 3.17Å
25M74.4Confident66.9Low75 Ų7582.9 Ų82.937%0.36947%0.473SS..EExtended strand (participates in β ladder)trans-70125.3174.5-61.9-67.8-58.100109.6V9 L76V9-M25 HydrophobicContact CG1-CE 3.78Å; M25-L76 HydrophobicContact CE-CD1 3.62Å; M25-L76 HydrophobicContact CE-CD2 4.09Å; M25-L76 HydrophobicContact CE-CG 4.46Å
26V82.9Confident68.5Low11 Ų1187.8 Ų87.87%0.06748%0.478CS..EExtended strand (participates in β ladder)trans-117.4137.7-179.5-179.80000109.4G10 E12 H24 P41 R43G10-V26 PolarHBondContact N-O 2.98Å; G10-V26 VanDerWaalsContact N-O 3.1Å; G10-V26 PolarHBondContact O-N 3.41Å; E12-V26 HydrophobicContact CB-CG2 3.91Å; E12-V26 HydrophobicContact CG-CG2 4.29Å; H24-V26 PolarHBondContact O-N 3.17Å; V26-P41 HydrophobicContact CG1-CB 3.46Å; V26-P41 VanDerWaalsContact CG1-CB 3.46Å; V26-R43 HydrophobicContact CG2-CG 4.17Å
27F85.5Confident70.4Confident1 Ų189.2 Ų89.20%0.00447%0.465CS..EExtended strand (participates in β ladder)trans-97.2124.5174.9-59.5-98000107.7I6 V9 V29 R42 F47 R79 L83I6-F27 HydrophobicContact CG2-CB 4.09Å; I6-F27 HydrophobicContact CG2-CD1 4.49Å; V9-F27 HydrophobicContact CB-CD1 4.2Å; V9-F27 HydrophobicContact CB-CE1 4.26Å; V9-F27 HydrophobicContact CG1-CD1 3.92Å; V9-F27 HydrophobicContact CG1-CE1 3.68Å; V9-F27 HydrophobicContact CG1-CG 4.42Å; V9-F27 HydrophobicContact CG1-CZ 4Å; V9-F27 HydrophobicContact CG2-CD1 3.23Å; V9-F27 HydrophobicContact CG2-CE1 3.49Å; V9-F27 VanDerWaalsContact CG2-CE1 3.49Å; V9-F27 HydrophobicContact CG2-CG 4.15Å; F27-V29 PolarHBondContact O-N 3.47Å; F27-R42 PolarHBondContact N-O 3.11Å; F27-R42 PolarHBondContact O-N 3.26Å; F27-F47 HydrophobicContact CB-CE2 4.03Å; F27-F47 HydrophobicContact CB-CZ 4.08Å; F27-F47 HydrophobicContact CD2-CE2 4.2Å; F27-F47 HydrophobicContact CG-CE2 4.28Å; F27-R79 HydrophobicContact CE1-CG 4.15Å; F27-R79 HydrophobicContact CZ-CG 4.03Å; F27-L83 HydrophobicContact CD1-CD1 3.81Å; F27-L83 HydrophobicContact CD2-CD1 4.22Å; F27-L83 HydrophobicContact CE1-CD1 3.86Å; F27-L83 HydrophobicContact CE2-CD1 4.27Å; F27-L83 HydrophobicContact CG-CD1 4.04Å; F27-L83 HydrophobicContact CZ-CD1 4.12Å
28Q87.8Confident72.2Confident91 Ų9180 Ų8043%0.42543%0.432SS..EExtended strand (participates in β ladder)trans-84.5107.5174.2-66.2-172.7-6.100108.5I6 P7 S8 T39I6-Q28 WeakPolarHBondContact CA-O 3.38Å; I6-Q28 WeakPolarHBondContact CG2-O 3.29Å; P7-Q28 WeakPolarHBondContact CD-O 3.45Å; S8-Q28 PolarHBondContact O-N 3.43Å; S8-Q28 WeakPolarHBondContact OG-CB 3.44Å; S8-Q28 WeakPolarHBondContact OG-CG 3.23Å; S8-Q28 PolarHBondContact OG-OE1 3.27Å; Q28-T39 HydrophobicContact CB-CG2 4.07Å
29V88Confident74.1Confident0 Ų076.5 Ų76.50%042%0.421CS..EExtended strand (participates in β ladder)trans-91116.4177.3-173.30000108.4V4 I6 F27 V31 T39 V40 R42 F47 I87 L105V4-V29 HydrophobicContact CG1-CG1 3.61Å; I6-V29 HydrophobicContact CD1-CG2 4.29Å; I6-V29 HydrophobicContact CG1-CG1 4.46Å; I6-V29 HydrophobicContact CG1-CG2 4.28Å; F27-V29 PolarHBondContact O-N 3.47Å; V29-V31 HydrophobicContact CG1-CG2 4.23Å; V29-T39 CarbonylContact O-C 3.57Å; V29-T39 WeakPolarHBondContact O-CA 3.46Å; V29-V40 PolarHBondContact N-O 2.97Å; V29-V40 PolarHBondContact O-N 2.84Å; V29-R42 HydrophobicContact CG2-CB 4.34Å; V29-R42 HydrophobicContact CG2-CG 4.41Å; V29-F47 HydrophobicContact CG2-CE1 4.05Å; V29-F47 HydrophobicContact CG2-CZ 3.49Å; V29-F47 VanDerWaalsContact CG2-CZ 3.49Å; V29-I87 HydrophobicContact CG1-CD1 4.45Å; V29-L105 HydrophobicContact CG1-CD2 3.75Å
30E89Confident76.3Confident32 Ų3272.5 Ų72.515%0.1539%0.393CS..EExtended strand (participates in β ladder)trans-97125.8175.9-174.6174.2-16900109.8V4 H5 P7 R37 H38V4-E30 CarbonylContact C-O 3.56Å; V4-E30 WeakPolarHBondContact CA-O 3.15Å; H5-E30 HydrophobicContact CB-CB 4.49Å; H5-E30 PolarHBondContact N-O 3.36Å; H5-E30 WeakPolarHBondContact O-CA 3.35Å; H5-E30 PolarHBondContact O-N 2.84Å; H5-E30 VanDerWaalsContact O-O 3.09Å; P7-E30 HydrophobicContact CG-CB 4.13Å; P7-E30 WeakPolarHBondContact CG-OE2 3.34Å; E30-R37 HydrophobicContact CG-CG 3.81Å; E30-R37 WeakPolarHBondContact OE1-CD 3.11Å; E30-R37 WeakPolarHBondContact OE1-CG 3.43Å; E30-R37 IonicContact OE1-CZ 2.77Å; E30-R37 VanDerWaalsContact OE1-CZ 3.26Å; E30-R37 IonicContact OE1-NE 3.02Å; E30-R37 PolarHBondContact OE1-NE 3.22Å; E30-R37 IonicContact OE1-NH1 3.98Å; E30-R37 PolarHBondContact OE1-NH1 2.71Å; E30-H38 CarbonylContact C-O 3.59Å; E30-H38 WeakPolarHBondContact CA-O 3.41Å
31V88.3Confident78.2Confident0 Ų070.1 Ų70.10%038%0.378CS..EExtended strand (participates in β ladder)trans-119.9121.1-178.6-176.30000108.5L2 E3 V4 V29 R37 H38 L105 L107L2-V31 HydrophobicContact CD1-CG1 3.4Å; L2-V31 VanDerWaalsContact CD1-CG1 3.4Å; L2-V31 HydrophobicContact CG-CG1 4.38Å; E3-V31 CarbonylContact O-C 3.57Å; E3-V31 WeakPolarHBondContact O-CA 3.26Å; V4-V31 HydrophobicContact CG2-CG1 4.24Å; V4-V31 HydrophobicContact CG2-CG2 4.23Å; V29-V31 HydrophobicContact CG1-CG2 4.23Å; V31-R37 CarbonylContact O-C 3.57Å; V31-R37 WeakPolarHBondContact O-CA 3.43Å; V31-H38 HydrophobicContact CB-CB 4.35Å; V31-H38 PolarHBondContact N-O 3.31Å; V31-H38 PolarHBondContact O-N 3.38Å; V31-L105 HydrophobicContact CG1-CD1 4.45Å; V31-L105 HydrophobicContact CG2-CB 4.2Å; V31-L105 HydrophobicContact CG2-CD1 3.97Å; V31-L105 HydrophobicContact CG2-CD2 3.72Å; V31-L105 HydrophobicContact CG2-CG 4.16Å; V31-L107 HydrophobicContact CB-CD2 4.45Å; V31-L107 HydrophobicContact CG1-CD1 3.87Å; V31-L107 HydrophobicContact CG1-CD2 4.02Å
32L87.3Confident80.1Confident54 Ų5463.8 Ų63.828%0.28335%0.347SS..EExtended strand (participates in β ladder)trans-98.6113.8171.2-161.299.1000108.5E3 R36 R37E3-L32 HydrophobicContact CB-CB 4.1Å; E3-L32 PolarHBondContact N-O 3.38Å; E3-L32 PolarHBondContact O-N 2.89Å; L32-R36 WeakPolarHBondContact CA-O 3.39Å; L32-R37 HydrophobicContact CD1-CB 4.35Å; L32-R37 HydrophobicContact CD1-CG 4.31Å
33C81.7Confident81.9Confident24 Ų2460.9 Ų60.916%0.16233%0.331CS..EExtended strand (participates in β ladder)trans-125.9117.5176-171.50000108.8L2 G35 R36 F110L2-C33 HydrophobicContact CD1-CB 3.78Å; C33-G35 PolarHBondContact O-N 2.82Å; C33-G35 VanDerWaalsContact O-N 3.16Å; C33-R36 PolarHBondContact N-O 3.1Å; C33-R36 WeakPolarHBondContact O-CA 3.49Å; C33-R36 WeakPolarHBondContact O-CB 3.36Å; C33-R36 PolarHBondContact O-N 2.82Å; C33-F110 HydrophobicContact CB-CE2 4.14Å; C33-F110 HydrophobicContact CB-CZ 3.75Å
34S75.3Confident83.3Confident110 Ų11058.7 Ų58.777%0.76930%0.302SS*.THydrogen-bonded Turntrans52.739.6175.5-55.20000113.9R36S34-R36 VanDerWaalsContact C-N 3.26Å; S34-R36 PolarHBondContact O-N 3.48Å
35G78.3Confident84.2Confident71 Ų7157.6 Ų57.673%0.73231%0.305SS*.THydrogen-bonded Turntrans80.4-4.1-177.600000115.1C33C33-G35 PolarHBondContact O-N 2.82Å; C33-G35 VanDerWaalsContact O-N 3.16Å
36R80.4Confident84.9Confident147 Ų14756.4 Ų56.456%0.55530%0.298SS*.EExtended strand (participates in β ladder)trans-96.8132.6174.4-168.2175.7179.1-1682110.9L32 C33 S34 H38L32-R36 WeakPolarHBondContact CA-O 3.39Å; C33-R36 PolarHBondContact N-O 3.1Å; C33-R36 WeakPolarHBondContact O-CA 3.49Å; C33-R36 WeakPolarHBondContact O-CB 3.36Å; C33-R36 PolarHBondContact O-N 2.82Å; S34-R36 VanDerWaalsContact C-N 3.26Å; S34-R36 PolarHBondContact O-N 3.48Å; R36-H38 WeakPolarHBondContact CD-NE2 3.26Å; R36-H38 WeakPolarHBondContact CG-NE2 3.39Å; R36-H38 VanDerWaalsContact CZ-CE1 3.46Å; R36-H38 PolarHBondContact NE-CE1 3.08Å; R36-H38 VanDerWaalsContact NE-CE1 3.34Å; R36-H38 PolarHBondContact NE-NE2 3.27Å
37R84.9Confident85.1Confident170 Ų17055.9 Ų55.964%0.64230%0.295SS*.EExtended strand (participates in β ladder)trans-104.3125.4-176.7-156.9168.186139-17.4110.4E30 V31 L32E30-R37 HydrophobicContact CG-CG 3.81Å; E30-R37 WeakPolarHBondContact OE1-CD 3.11Å; E30-R37 WeakPolarHBondContact OE1-CG 3.43Å; E30-R37 IonicContact OE1-CZ 2.77Å; E30-R37 VanDerWaalsContact OE1-CZ 3.26Å; E30-R37 IonicContact OE1-NE 3.02Å; E30-R37 PolarHBondContact OE1-NE 3.22Å; E30-R37 IonicContact OE1-NH1 3.98Å; E30-R37 PolarHBondContact OE1-NH1 2.71Å; V31-R37 CarbonylContact O-C 3.57Å; V31-R37 WeakPolarHBondContact O-CA 3.43Å; L32-R37 HydrophobicContact CD1-CB 4.35Å; L32-R37 HydrophobicContact CD1-CG 4.31Å
38H83.4Confident85.1Confident44 Ų4459.2 Ų59.220%0.20431%0.311CS..EExtended strand (participates in β ladder)trans-123121-178.8-68.4-91.6000110E30 V31 R36 F110E30-H38 CarbonylContact C-O 3.59Å; E30-H38 WeakPolarHBondContact CA-O 3.41Å; V31-H38 HydrophobicContact CB-CB 4.35Å; V31-H38 PolarHBondContact N-O 3.31Å; V31-H38 PolarHBondContact O-N 3.38Å; R36-H38 WeakPolarHBondContact CD-NE2 3.26Å; R36-H38 WeakPolarHBondContact CG-NE2 3.39Å; R36-H38 VanDerWaalsContact CZ-CE1 3.46Å; R36-H38 PolarHBondContact NE-CE1 3.08Å; R36-H38 VanDerWaalsContact NE-CE1 3.34Å; R36-H38 PolarHBondContact NE-NE2 3.27Å; H38-F110 AromaticContact CD2-CZ 3.9Å; H38-F110 AromaticContact NE2-CE1 3.65Å; H38-F110 AromaticContact NE2-CZ 3.44Å; H38-F110 WeakPolarHBondContact NE2-CZ 3.16Å
39T85.8Confident85.1Confident77 Ų7756.8 Ų56.847%0.47231%0.306SS..EExtended strand (participates in β ladder)trans-101122.8175.1-500000109.4Q28 V29Q28-T39 HydrophobicContact CB-CG2 4.07Å; V29-T39 CarbonylContact O-C 3.57Å; V29-T39 WeakPolarHBondContact O-CA 3.46Å
40V85Confident85.2Confident7 Ų757.1 Ų57.14%0.04231%0.308CS..EExtended strand (participates in β ladder)trans-122.7112-177.5-172.60000109.1V29 R42 L105 R106V29-V40 PolarHBondContact N-O 2.97Å; V29-V40 PolarHBondContact O-N 2.84Å; V40-R42 HydrophobicContact CG1-CG 4.05Å; V40-R42 PolarHBondContact O-N 3.23Å; V40-L105 WeakPolarHBondContact CG2-O 3.44Å; V40-R106 HydrophobicContact CG1-CG 4.24Å
41P86.3Confident85.1Confident68 Ų6856.6 Ų56.644%0.44231%0.306SS..EExtended strand (participates in β ladder)trans-69.3128.4171.926.4-30.6000110V26V26-P41 HydrophobicContact CG1-CB 3.46Å; V26-P41 VanDerWaalsContact CG1-CB 3.46Å
42R87.9Confident85.1Confident28 Ų2862.9 Ų62.911%0.10633%0.333CS..EExtended strand (participates in β ladder)trans-136.5138.5176.5-68.8-63.7-173.4-177.1-4.8112F27 V29 V40 E46 F47 F104F27-R42 PolarHBondContact N-O 3.11Å; F27-R42 PolarHBondContact O-N 3.26Å; V29-R42 HydrophobicContact CG2-CB 4.34Å; V29-R42 HydrophobicContact CG2-CG 4.41Å; V40-R42 HydrophobicContact CG1-CG 4.05Å; V40-R42 PolarHBondContact O-N 3.23Å; R42-E46 WeakPolarHBondContact CD-OE1 3.49Å; R42-E46 IonicContact CZ-OE1 2.72Å; R42-E46 IonicContact NE-OE1 3.88Å; R42-E46 IonicContact NH1-OE1 3.94Å; R42-E46 PolarHBondContact NH1-OE1 2.98Å; R42-F47 HydrophobicContact CB-CD2 4.27Å; R42-F47 HydrophobicContact CB-CE2 3.49Å; R42-F47 VanDerWaalsContact CB-CE2 3.49Å; R42-F47 HydrophobicContact CB-CZ 3.92Å; R42-F104 HydrophobicContact CB-CE2 4.17Å; R42-F104 HydrophobicContact CB-CZ 3.72Å; R42-F104 HydrophobicContact CG-CE1 3.97Å; R42-F104 HydrophobicContact CG-CE2 3.81Å; R42-F104 HydrophobicContact CG-CZ 3.47Å; R42-F104 VanDerWaalsContact CG-CZ 3.47Å; R42-F104 PolarHBondContact NE-O 3.1Å; R42-F104 PolarHBondContact NH2-O 2.85Å
43R86.9Confident85.1Confident109 Ų10967.4 Ų67.441%0.41135%0.346SS..EExtended strand (participates in β ladder)trans-84.2150.4172.5-62.8-176.2-65.8177.2-3.2110.3V26 S45 E46 F47V26-R43 HydrophobicContact CG2-CG 4.17Å; R43-S45 PolarHBondContact O-N 3.26Å; R43-S45 VanDerWaalsContact O-N 3.13Å; R43-E46 HydrophobicContact CB-CG 4.32Å; R43-E46 WeakPolarHBondContact CB-OE2 3.41Å; R43-E46 PolarHBondContact N-OE2 2.71Å; R43-E46 IonicContact NE-OE2 2.84Å; R43-E46 VanDerWaalsContact O-CB 3.3Å; R43-E46 WeakPolarHBondContact O-CB 3.37Å; R43-E46 PolarHBondContact O-N 3.16Å; R43-F47 VanDerWaalsContact O-CD2 3.29Å; R43-F47 WeakPolarHBondContact O-CD2 3.19Å; R43-F47 PolarHBondContact O-N 2.98Å
44Y84.6Confident85.3Confident21 Ų2166.2 Ų66.28%0.08234%0.338CS..Hα-helixtrans-53.6-37.8178.8177.9-93.9000114.3E46 F47 H48 F63 P64 K66 R79 L83Y44-E46 PolarHBondContact O-N 3.08Å; Y44-F47 PolarHBondContact O-N 3Å; Y44-H48 HydrophobicContact CE1-CB 4.42Å; Y44-H48 PolarHBondContact O-N 2.72Å; Y44-F63 HydrophobicContact CE1-CE1 4.4Å; Y44-F63 AromaticContact CE2-CE1 3.99Å; Y44-F63 HydrophobicContact CE2-CE1 3.99Å; Y44-F63 HydrophobicContact CE2-CZ 4.1Å; Y44-F63 AromaticContact CZ-CE1 3.66Å; Y44-F63 WeakPolarHBondContact OH-CE1 3.12Å; Y44-P64 PolarHBondContact OH-O 2.93Å; Y44-P64 VanDerWaalsContact OH-O 3.09Å; Y44-K66 HydrophobicContact CE1-CD 4.42Å; Y44-K66 VanDerWaalsContact CE1-CE 3.46Å; Y44-K66 HydrophobicContact CE1-CG 4.14Å; Y44-R79 HydrophobicContact CD2-CG 4.29Å; Y44-R79 HydrophobicContact CE2-CG 4.3Å; Y44-R79 VanDerWaalsContact CG-CZ 3.41Å; Y44-L83 HydrophobicContact CD2-CD1 4.15Å; Y44-L83 HydrophobicContact CD2-CD2 4.31Å; Y44-L83 HydrophobicContact CE2-CD2 4.32Å
45S84.1Confident85.7Confident70 Ų7067.6 Ų67.649%0.4933%0.331SS..Hα-helixtrans-58-32.9177.947.20000112.1R43 H48 A49R43-S45 PolarHBondContact O-N 3.26Å; R43-S45 VanDerWaalsContact O-N 3.13Å; S45-H48 PolarHBondContact O-N 2.86Å; S45-A49 WeakPolarHBondContact O-CB 3.46Å; S45-A49 PolarHBondContact O-N 3.45Å
46E88.7Confident85.8Confident49 Ų4973 Ų7323%0.22933%0.334CS..Hα-helixtrans-71.8-40.4178.4-56.8176.275.500111.3R42 R43 Y44 H48 A49 L50 F104R42-E46 WeakPolarHBondContact CD-OE1 3.49Å; R42-E46 IonicContact CZ-OE1 2.72Å; R42-E46 IonicContact NE-OE1 3.88Å; R42-E46 IonicContact NH1-OE1 3.94Å; R42-E46 PolarHBondContact NH1-OE1 2.98Å; R43-E46 HydrophobicContact CB-CG 4.32Å; R43-E46 WeakPolarHBondContact CB-OE2 3.41Å; R43-E46 PolarHBondContact N-OE2 2.71Å; R43-E46 IonicContact NE-OE2 2.84Å; R43-E46 VanDerWaalsContact O-CB 3.3Å; R43-E46 WeakPolarHBondContact O-CB 3.37Å; R43-E46 PolarHBondContact O-N 3.16Å; Y44-E46 PolarHBondContact O-N 3.08Å; E46-H48 VanDerWaalsContact C-N 3.27Å; E46-H48 PolarHBondContact O-N 3.02Å; E46-A49 PolarHBondContact O-N 2.81Å; E46-L50 WeakPolarHBondContact O-CB 3.4Å; E46-L50 PolarHBondContact O-N 2.76Å; E46-F104 HydrophobicContact CB-CD2 4.47Å; E46-F104 HydrophobicContact CB-CE2 3.72Å
47F88.1Confident85.6Confident0 Ų071.5 Ų71.50%034%0.336CS..Hα-helixtrans-60.8-39.9172.1-67.4-98.8000111.4I6 F27 V29 R42 R43 Y44 L50 H51 F63 L83 I87 F104I6-F47 HydrophobicContact CD1-CE1 4.15Å; I6-F47 HydrophobicContact CD1-CZ 4.26Å; F27-F47 HydrophobicContact CB-CE2 4.03Å; F27-F47 HydrophobicContact CB-CZ 4.08Å; F27-F47 HydrophobicContact CD2-CE2 4.2Å; F27-F47 HydrophobicContact CG-CE2 4.28Å; V29-F47 HydrophobicContact CG2-CE1 4.05Å; V29-F47 HydrophobicContact CG2-CZ 3.49Å; V29-F47 VanDerWaalsContact CG2-CZ 3.49Å; R42-F47 HydrophobicContact CB-CD2 4.27Å; R42-F47 HydrophobicContact CB-CE2 3.49Å; R42-F47 VanDerWaalsContact CB-CE2 3.49Å; R42-F47 HydrophobicContact CB-CZ 3.92Å; R43-F47 VanDerWaalsContact O-CD2 3.29Å; R43-F47 WeakPolarHBondContact O-CD2 3.19Å; R43-F47 PolarHBondContact O-N 2.98Å; Y44-F47 PolarHBondContact O-N 3Å; F47-L50 PolarHBondContact O-N 3.23Å; F47-H51 WeakPolarHBondContact O-CB 3.37Å; F47-H51 PolarHBondContact O-N 2.75Å; F47-F63 HydrophobicContact CB-CE2 4.15Å; F47-F63 HydrophobicContact CB-CZ 4.06Å; F47-L83 HydrophobicContact CB-CD2 3.86Å; F47-L83 HydrophobicContact CD1-CB 4.36Å; F47-L83 HydrophobicContact CD1-CD1 4.28Å; F47-L83 HydrophobicContact CD1-CD2 3.81Å; F47-L83 HydrophobicContact CD1-CG 4.38Å; F47-L83 HydrophobicContact CD2-CD1 4.11Å; F47-L83 HydrophobicContact CE1-CB 4.19Å; F47-L83 HydrophobicContact CE1-CD1 4.25Å; F47-L83 HydrophobicContact CE1-CD2 4.44Å; F47-L83 HydrophobicContact CE2-CD1 4.11Å; F47-L83 HydrophobicContact CG-CD1 4.19Å; F47-L83 HydrophobicContact CG-CD2 3.85Å; F47-L83 HydrophobicContact CZ-CD1 4.17Å; F47-I87 HydrophobicContact CD1-CD1 4.01Å; F47-I87 HydrophobicContact CE1-CD1 3.54Å; F47-F104 HydrophobicContact CD1-CE1 4.06Å; F47-F104 AromaticContact CD1-CZ 3.68Å; F47-F104 HydrophobicContact CD1-CZ 3.68Å; F47-F104 AromaticContact CD2-CZ 3.92Å; F47-F104 HydrophobicContact CD2-CZ 3.92Å; F47-F104 AromaticContact CE1-CE1 3.93Å; F47-F104 HydrophobicContact CE1-CE1 3.93Å; F47-F104 AromaticContact CE1-CZ 3.76Å; F47-F104 HydrophobicContact CE1-CZ 3.76Å; F47-F104 AromaticContact CE2-CZ 3.97Å; F47-F104 HydrophobicContact CE2-CZ 3.97Å; F47-F104 HydrophobicContact CG-CE2 4.46Å; F47-F104 AromaticContact CG-CZ 3.78Å; F47-F104 HydrophobicContact CG-CZ 3.78Å; F47-F104 HydrophobicContact CZ-CE1 4.32Å; F47-F104 AromaticContact CZ-CZ 3.9Å; F47-F104 HydrophobicContact CZ-CZ 3.9Å
48H85.6Confident85.4Confident71 Ų7167.1 Ų67.133%0.32932%0.32SS..Hα-helixtrans-68.8-37.9178.1-168.762.2000112.3Y44 S45 E46 H51 K52 F63Y44-H48 HydrophobicContact CE1-CB 4.42Å; Y44-H48 PolarHBondContact O-N 2.72Å; S45-H48 PolarHBondContact O-N 2.86Å; E46-H48 VanDerWaalsContact C-N 3.27Å; E46-H48 PolarHBondContact O-N 3.02Å; H48-H51 PolarHBondContact O-N 2.84Å; H48-K52 VanDerWaalsContact NE2-CE 3.34Å; H48-K52 WeakPolarHBondContact NE2-CE 3.46Å; H48-K52 PolarHBondContact O-N 2.83Å; H48-K52 VanDerWaalsContact O-N 3.1Å; H48-F63 HydrophobicContact CB-CE1 4.18Å; H48-F63 HydrophobicContact CB-CZ 4.09Å; H48-F63 AromaticContact ND1-CD1 3.89Å; H48-F63 AromaticContact ND1-CE1 3.53Å
49A88.2Confident85.1Confident40 Ų4072.7 Ų72.733%0.33134%0.344SS..Hα-helixtrans-64.8-42.8173.700000111.5S45 E46 K52 R53S45-A49 WeakPolarHBondContact O-CB 3.46Å; S45-A49 PolarHBondContact O-N 3.45Å; E46-A49 PolarHBondContact O-N 2.81Å; A49-K52 PolarHBondContact O-N 3.07Å; A49-R53 WeakPolarHBondContact O-CG 3.42Å; A49-R53 PolarHBondContact O-N 2.71Å
50L88.9Confident84.8Confident8 Ų870.5 Ų70.54%0.04233%0.33CS..Hα-helixtrans-56.4-55172.6174.967.8000110.1E46 F47 K52 R53 I54 E100 L101 F104E46-L50 WeakPolarHBondContact O-CB 3.4Å; E46-L50 PolarHBondContact O-N 2.76Å; F47-L50 PolarHBondContact O-N 3.23Å; L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 PolarHBondContact O-N 3.39Å; L50-R53 WeakPolarHBondContact O-CA 3.39Å; L50-R53 WeakPolarHBondContact O-CB 3.42Å; L50-R53 PolarHBondContact O-N 3.03Å; L50-I54 HydrophobicContact CD1-CG2 3.95Å; L50-I54 HydrophobicContact CG-CD1 4.23Å; L50-I54 HydrophobicContact CG-CG1 4.49Å; L50-I54 WeakPolarHBondContact O-CG1 3.47Å; L50-I54 PolarHBondContact O-N 3Å; L50-E100 HydrophobicContact CD1-CB 3.88Å; L50-L101 HydrophobicContact CD2-CD1 3.73Å; L50-F104 HydrophobicContact CB-CD2 4.23Å; L50-F104 HydrophobicContact CD1-CB 4.08Å; L50-F104 HydrophobicContact CD2-CB 4.06Å; L50-F104 HydrophobicContact CD2-CD1 3.78Å; L50-F104 HydrophobicContact CD2-CD2 4.2Å; L50-F104 HydrophobicContact CD2-CE1 4.26Å; L50-F104 HydrophobicContact CD2-CG 3.74Å; L50-F104 HydrophobicContact CG-CG 4.49Å
51H87.1Confident84.5Confident21 Ų2171.8 Ų71.810%0.09734%0.339CS..Hα-helixtrans-51.3-46.1179.6176.476.1000112.2F47 H48 R53 I54 K55 F63 Y86F47-H51 WeakPolarHBondContact O-CB 3.37Å; F47-H51 PolarHBondContact O-N 2.75Å; H48-H51 PolarHBondContact O-N 2.84Å; H51-R53 VanDerWaalsContact C-N 3.28Å; H51-R53 PolarHBondContact O-N 3.34Å; H51-I54 PolarHBondContact O-N 2.77Å; H51-K55 WeakPolarHBondContact O-CB 2.83Å; H51-K55 PolarHBondContact O-N 3.09Å; H51-F63 HydrophobicContact CB-CD2 3.69Å; H51-F63 HydrophobicContact CB-CE2 3.91Å; H51-F63 HydrophobicContact CB-CG 4.28Å; H51-F63 AromaticContact CG-CD2 3.68Å; H51-F63 AromaticContact CG-CG 3.9Å; H51-F63 AromaticContact ND1-CD2 3.82Å; H51-Y86 WeakPolarHBondContact CA-OH 3.27Å; H51-Y86 HydrophobicContact CB-CE1 4.46Å; H51-Y86 WeakPolarHBondContact CB-OH 3.49Å; H51-Y86 AromaticContact ND1-CE2 3.56Å; H51-Y86 AromaticContact ND1-CZ 3.39Å; H51-Y86 PolarHBondContact ND1-OH 2.85Å
52K88.1Confident84Confident132 Ų13276.2 Ų76.257%0.57436%0.359SS*.Hα-helixtrans-60.8-33.5177.3-79.6-175.2174.4-177.20113.7H48 A49 L50H48-K52 VanDerWaalsContact NE2-CE 3.34Å; H48-K52 WeakPolarHBondContact NE2-CE 3.46Å; H48-K52 PolarHBondContact O-N 2.83Å; H48-K52 VanDerWaalsContact O-N 3.1Å; A49-K52 PolarHBondContact O-N 3.07Å; L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 PolarHBondContact O-N 3.39Å
53R86.9Confident83.6Confident148 Ų14876.3 Ų76.356%0.55836%0.36SS*.Hα-helixtrans-75-51.4178.1-67.5174.2-176.2-178.50.2110.8A49 L50 H51 E100A49-R53 WeakPolarHBondContact O-CG 3.42Å; A49-R53 PolarHBondContact O-N 2.71Å; L50-R53 WeakPolarHBondContact O-CA 3.39Å; L50-R53 WeakPolarHBondContact O-CB 3.42Å; L50-R53 PolarHBondContact O-N 3.03Å; H51-R53 VanDerWaalsContact C-N 3.28Å; H51-R53 PolarHBondContact O-N 3.34Å; R53-E100 HydrophobicContact CB-CG 4.44Å
54I86.1Confident82.7Confident0 Ų072.9 Ų72.90%035%0.352CS..Hα-helixtrans-77.2-27.5-173.759.5169.4000113.7L50 H51 K56 L57 Y58 V60 Y86 I90 P98 E100L50-I54 HydrophobicContact CD1-CG2 3.95Å; L50-I54 HydrophobicContact CG-CD1 4.23Å; L50-I54 HydrophobicContact CG-CG1 4.49Å; L50-I54 WeakPolarHBondContact O-CG1 3.47Å; L50-I54 PolarHBondContact O-N 3Å; H51-I54 PolarHBondContact O-N 2.77Å; I54-K56 PolarHBondContact O-N 3.37Å; I54-K56 VanDerWaalsContact O-N 3.09Å; I54-L57 PolarHBondContact O-N 2.86Å; I54-Y58 HydrophobicContact CB-CD2 4.34Å; I54-Y58 HydrophobicContact CG2-CD2 4.46Å; I54-Y58 PolarHBondContact O-N 3.16Å; I54-V60 HydrophobicContact CB-CG2 4.15Å; I54-V60 HydrophobicContact CD1-CG1 4.31Å; I54-V60 HydrophobicContact CD1-CG2 3.92Å; I54-V60 HydrophobicContact CG1-CG1 4.47Å; I54-V60 HydrophobicContact CG1-CG2 3.81Å; I54-Y86 WeakPolarHBondContact CD1-OH 3.44Å; I54-I90 HydrophobicContact CD1-CD1 3.37Å; I54-I90 HydrophobicContact CD1-CG1 4.06Å; I54-I90 HydrophobicContact CD1-CG2 4.4Å; I54-P98 HydrophobicContact CG2-CB 4.04Å; I54-E100 HydrophobicContact CG2-CB 3.8Å; I54-E100 HydrophobicContact CG2-CG 4.31Å
55K84.4Confident81.6Confident139 Ų13975.2 Ų75.260%0.60437%0.371SS*.THydrogen-bonded Turntrans-57.8-25.9177-179.5176.9-178.8173.80112.7H51H51-K55 WeakPolarHBondContact O-CB 2.83Å; H51-K55 PolarHBondContact O-N 3.09Å
56K81.1Confident80.4Confident183 Ų18378.2 Ų78.280%0.79638%0.375SS*.THydrogen-bonded Turntrans-78.8-26.5178.9-64.9-173.8177.8-1720113.5I54I54-K56 PolarHBondContact O-N 3.37Å; I54-K56 VanDerWaalsContact O-N 3.09Å
57L75.1Confident78.8Confident116 Ų11686.5 Ų86.561%0.60740%0.404SS*.THydrogen-bonded Turntrans-114.9-25.7-165.7-64.4173.9000113.2I54I54-L57 PolarHBondContact O-N 2.86Å
58Y79.9Confident77.1Confident79 Ų7990.8 Ų90.831%0.3143%0.427SS..SBendtrans-132.9165.9-169.8-64.2-79.5000112.2I54 V60 P98I54-Y58 HydrophobicContact CB-CD2 4.34Å; I54-Y58 HydrophobicContact CG2-CD2 4.46Å; I54-Y58 PolarHBondContact O-N 3.16Å; Y58-V60 PolarHBondContact O-N 2.77Å; Y58-P98 HydrophobicContact CD1-CG 4.09Å; Y58-P98 HydrophobicContact CD2-CB 3.78Å; Y58-P98 HydrophobicContact CD2-CG 3.82Å; Y58-P98 HydrophobicContact CE1-CG 4.34Å; Y58-P98 HydrophobicContact CE2-CB 3.66Å; Y58-P98 HydrophobicContact CE2-CG 4.1Å; Y58-P98 HydrophobicContact CG-CB 4.29Å; Y58-P98 HydrophobicContact CG-CG 3.82Å
59K77.3Confident75.6Confident160 Ų16093.1 Ų93.170%0.69645%0.448SS*.  trans-75.6118.7169.1-67.3-162.1179.9-174.70108.7N94K59-N94 PolarHBondContact O-ND2 3.1Å
60V79.6Confident73.8Confident32 Ų3296.8 Ų96.819%0.19446%0.462CS..  trans-127.7130.3-171177.40000109.3I54 Y58 Y86 I90I54-V60 HydrophobicContact CB-CG2 4.15Å; I54-V60 HydrophobicContact CD1-CG1 4.31Å; I54-V60 HydrophobicContact CD1-CG2 3.92Å; I54-V60 HydrophobicContact CG1-CG1 4.47Å; I54-V60 HydrophobicContact CG1-CG2 3.81Å; Y58-V60 PolarHBondContact O-N 2.77Å; V60-Y86 HydrophobicContact CG1-CE2 3.48Å; V60-Y86 VanDerWaalsContact CG1-CE2 3.48Å; V60-Y86 WeakPolarHBondContact CG1-OH 3.39Å; V60-I90 HydrophobicContact CG1-CG1 4.49Å
61P78.8Confident72.3Confident33 Ų33100.3 Ų100.321%0.21448%0.475CS..PPolyproline II helixtrans-62.7165.2174.5-1526.5000112.5F63 Y86 I90 L93P61-F63 PolarHBondContact O-N 2.71Å; P61-Y86 HydrophobicContact CB-CD2 4.25Å; P61-Y86 HydrophobicContact CG-CD2 4.43Å; P61-Y86 WeakPolarHBondContact O-CE2 3.37Å; P61-I90 HydrophobicContact CG-CG1 4.46Å; P61-L93 HydrophobicContact CG-CD1 3.79Å
62D77.3Confident70.7Confident161 Ų161110.6 Ų110.686%0.86151%0.513SS*.PPolyproline II helixtrans-61.5132.4173.5-84.8-25.7000111.6
63F78Confident69.1Low30 Ų30110.2 Ų110.213%0.13252%0.522CS..PPolyproline II helixtrans-83.2130.8-176.4-169.1-101.6000110.9Y44 F47 H48 H51 P61 S65 L83 Y86Y44-F63 HydrophobicContact CE1-CE1 4.4Å; Y44-F63 AromaticContact CE2-CE1 3.99Å; Y44-F63 HydrophobicContact CE2-CE1 3.99Å; Y44-F63 HydrophobicContact CE2-CZ 4.1Å; Y44-F63 AromaticContact CZ-CE1 3.66Å; Y44-F63 WeakPolarHBondContact OH-CE1 3.12Å; F47-F63 HydrophobicContact CB-CE2 4.15Å; F47-F63 HydrophobicContact CB-CZ 4.06Å; H48-F63 HydrophobicContact CB-CE1 4.18Å; H48-F63 HydrophobicContact CB-CZ 4.09Å; H48-F63 AromaticContact ND1-CD1 3.89Å; H48-F63 AromaticContact ND1-CE1 3.53Å; H51-F63 HydrophobicContact CB-CD2 3.69Å; H51-F63 HydrophobicContact CB-CE2 3.91Å; H51-F63 HydrophobicContact CB-CG 4.28Å; H51-F63 AromaticContact CG-CD2 3.68Å; H51-F63 AromaticContact CG-CG 3.9Å; H51-F63 AromaticContact ND1-CD2 3.82Å; P61-F63 PolarHBondContact O-N 2.71Å; F63-S65 PolarHBondContact O-N 2.67Å; F63-L83 HydrophobicContact CE2-CD2 4.07Å; F63-L83 HydrophobicContact CZ-CD2 4.04Å; F63-Y86 HydrophobicContact CD2-CD1 4.06Å; F63-Y86 HydrophobicContact CD2-CD2 4.15Å; F63-Y86 AromaticContact CD2-CE1 3.83Å; F63-Y86 HydrophobicContact CD2-CE1 3.83Å; F63-Y86 AromaticContact CD2-CE2 3.96Å; F63-Y86 HydrophobicContact CD2-CE2 3.96Å; F63-Y86 HydrophobicContact CD2-CG 4.21Å; F63-Y86 AromaticContact CD2-CZ 3.8Å; F63-Y86 HydrophobicContact CE2-CD1 4.16Å; F63-Y86 AromaticContact CE2-CE1 3.99Å; F63-Y86 HydrophobicContact CE2-CE1 3.99Å
64P69.6Low67.7Low37 Ų37113.1 Ų113.124%0.2453%0.533CS..  trans-63.9111.1178.826.4-35000110.3Y44 L83Y44-P64 PolarHBondContact OH-O 2.93Å; Y44-P64 VanDerWaalsContact OH-O 3.09Å; P64-L83 HydrophobicContact CG-CD2 4.13Å
65S61.7Low66.8Low70 Ų70113.3 Ų113.349%0.4954%0.535SS..  trans-86.3159.8-174.7-174.60000113.2F63 R67F63-S65 PolarHBondContact O-N 2.67Å; S65-R67 VanDerWaalsContact C-N 3.27Å; S65-R67 PolarHBondContact O-N 2.82Å
66K58.6Low66.3Low133 Ų133109.4 Ų109.458%0.57852%0.52SS*.SBendtrans-71.8-6.7-175.9-60.6-177.8-178.5-179.60115.1Y44 W71Y44-K66 HydrophobicContact CE1-CD 4.42Å; Y44-K66 VanDerWaalsContact CE1-CE 3.46Å; Y44-K66 HydrophobicContact CE1-CG 4.14Å; K66-W71 PolarHBondContact O-NE1 3.15Å
67R53.4Low66.2Low223 Ų223104.4 Ų104.484%0.84250%0.5SS*.  trans-106.665.6-166.1-62.1-166.8-63.8-164.3-1.5113.2S65S65-R67 VanDerWaalsContact C-N 3.27Å; S65-R67 PolarHBondContact O-N 2.82Å
68L53.9Low66.4Low91 Ų91103.1 Ų103.148%0.47649%0.491SS..  trans-130.2157.4165.3-94.788.1000108.4N70 W71L68-N70 PolarHBondContact O-N 3.43Å; L68-W71 HydrophobicContact CB-CD2 4.32Å; L68-W71 HydrophobicContact CB-CE3 3.84Å; L68-W71 HydrophobicContact CB-CH2 2.91Å; L68-W71 HydrophobicContact CB-CZ2 3.33Å; L68-W71 HydrophobicContact CB-CZ3 3.12Å; L68-W71 HydrophobicContact CD1-CH2 4.21Å; L68-W71 HydrophobicContact CD1-CZ2 4.4Å; L68-W71 HydrophobicContact CD2-CH2 3.78Å; L68-W71 HydrophobicContact CD2-CZ3 4.12Å; L68-W71 HydrophobicContact CG-CH2 3.82Å; L68-W71 HydrophobicContact CG-CZ2 4.36Å; L68-W71 HydrophobicContact CG-CZ3 4.24Å
69P54.6Low66.4Low119 Ų119102.5 Ų102.577%0.77349%0.488SS*.SBendtrans-84-15-155.2-15.332.8000115.8W71P69-W71 PolarHBondContact O-N 2.96Å
70N48.6Very low66.8Low117 Ų11796.2 Ų96.263%0.62646%0.46SS*.  trans-102.535.6-163.3-53.5-9.7000114.3L68 R72L68-N70 PolarHBondContact O-N 3.43Å; N70-R72 PolarHBondContact O-N 2.81Å
71W57.4Low67Low82 Ų8299.4 Ų99.431%0.31147%0.473SS..THydrogen-bonded Turntrans-82.4-15.8-149.4-98.3-145.5000116.7K66 L68 P69 T73K66-W71 PolarHBondContact O-NE1 3.15Å; L68-W71 HydrophobicContact CB-CD2 4.32Å; L68-W71 HydrophobicContact CB-CE3 3.84Å; L68-W71 HydrophobicContact CB-CH2 2.91Å; L68-W71 HydrophobicContact CB-CZ2 3.33Å; L68-W71 HydrophobicContact CB-CZ3 3.12Å; L68-W71 HydrophobicContact CD1-CH2 4.21Å; L68-W71 HydrophobicContact CD1-CZ2 4.4Å; L68-W71 HydrophobicContact CD2-CH2 3.78Å; L68-W71 HydrophobicContact CD2-CZ3 4.12Å; L68-W71 HydrophobicContact CG-CH2 3.82Å; L68-W71 HydrophobicContact CG-CZ2 4.36Å; L68-W71 HydrophobicContact CG-CZ3 4.24Å; P69-W71 PolarHBondContact O-N 2.96Å; W71-T73 VanDerWaalsContact C-N 3.35Å; W71-T73 PolarHBondContact O-N 3.37Å
72R53.8Low67.5Low237 Ų23798.8 Ų98.889%0.89447%0.472SS*.THydrogen-bonded Turntrans-72.7-19.9-167.4-65.3-169.9-148.8172.98.2115.2N70N70-R72 PolarHBondContact O-N 2.81Å
73T55.4Low68Low125 Ų12591.1 Ų91.177%0.76743%0.431SS*.THydrogen-bonded Turntrans-149.9-42.7-176.91.90000113.6W71W71-T73 VanDerWaalsContact C-N 3.35Å; W71-T73 PolarHBondContact O-N 3.37Å
74R57.5Low68.5Low209 Ų20991 Ų9179%0.78943%0.431SS*.Hα-helixtrans-78.7-22.3171.2-78.7-170.4175.5-140.41113.7L76 Q78R74-L76 PolarHBondContact O-N 2.81Å; R74-Q78 VanDerWaalsContact O-CB 3.25Å; R74-Q78 WeakPolarHBondContact O-CB 3.41Å; R74-Q78 PolarHBondContact O-N 3.11Å
75G67.2Low69.4Low4 Ų492 Ų924%0.04144%0.442CS..Hα-helixtrans-66.7-31.8-175.900000114.7R79G75-R79 WeakPolarHBondContact O-CB 3.42Å; G75-R79 PolarHBondContact O-N 3.42Å
76L73.4Confident70.7Confident56 Ų5688.9 Ų88.929%0.29342%0.42SS..Hα-helixtrans-74.4-44.7-179.2-80.6167.8000112.5V9 M25 R74 R79 R80V9-L76 HydrophobicContact CG1-CD2 4.4Å; M25-L76 HydrophobicContact CE-CD1 3.62Å; M25-L76 HydrophobicContact CE-CD2 4.09Å; M25-L76 HydrophobicContact CE-CG 4.46Å; R74-L76 PolarHBondContact O-N 2.81Å; L76-R79 CarbonylContact O-C 3.54Å; L76-R79 WeakPolarHBondContact O-CB 3.39Å; L76-R79 PolarHBondContact O-N 2.88Å; L76-R80 PolarHBondContact O-N 3.22Å
77E79Confident72.1Confident79 Ų7982.5 Ų82.537%0.36939%0.392SS..Hα-helixtrans-68.4-40176.1-179.854.5-15500111.1R79 R80 Q81E77-R79 PolarHBondContact O-N 3.44Å; E77-R80 VanDerWaalsContact O-CB 3.24Å; E77-R80 WeakPolarHBondContact O-CB 3.42Å; E77-R80 PolarHBondContact O-N 3.39Å; E77-R80 VanDerWaalsContact O-N 3.17Å; E77-R80 IonicContact OE1-CZ 3.86Å; E77-R80 IonicContact OE1-NE 3.26Å; E77-R80 PolarHBondContact OE1-NE 3.29Å; E77-R80 IonicContact OE1-NH2 3.71Å; E77-R80 PolarHBondContact OE1-NH2 3.35Å; E77-R80 VanDerWaalsContact OE2-CD 3.32Å; E77-R80 WeakPolarHBondContact OE2-CD 3.28Å; E77-R80 IonicContact OE2-NE 3.21Å; E77-R80 PolarHBondContact OE2-NE 2.94Å; E77-Q81 WeakPolarHBondContact O-CG 3.49Å; E77-Q81 PolarHBondContact O-N 3.06Å; E77-Q81 PolarHBondContact OE1-NE2 3.21Å
78Q80.3Confident73.8Confident89 Ų8975.6 Ų75.642%0.41637%0.369SS..Hα-helixtrans-61-36.9171.1-175.1178.23.600111.8R74 G82R74-Q78 VanDerWaalsContact O-CB 3.25Å; R74-Q78 WeakPolarHBondContact O-CB 3.41Å; R74-Q78 PolarHBondContact O-N 3.11Å; Q78-G82 PolarHBondContact O-N 2.85Å
79R78.6Confident75.4Confident66 Ų6672.1 Ų72.125%0.24936%0.355CS..Hα-helixtrans-70.3-36.7175.6-175.1177.8-160.4-179.111.2111.9F27 Y44 G75 L76 E77 G82 L83F27-R79 HydrophobicContact CE1-CG 4.15Å; F27-R79 HydrophobicContact CZ-CG 4.03Å; Y44-R79 HydrophobicContact CD2-CG 4.29Å; Y44-R79 HydrophobicContact CE2-CG 4.3Å; Y44-R79 VanDerWaalsContact CG-CZ 3.41Å; G75-R79 WeakPolarHBondContact O-CB 3.42Å; G75-R79 PolarHBondContact O-N 3.42Å; L76-R79 CarbonylContact O-C 3.54Å; L76-R79 WeakPolarHBondContact O-CB 3.39Å; L76-R79 PolarHBondContact O-N 2.88Å; E77-R79 PolarHBondContact O-N 3.44Å; R79-G82 PolarHBondContact O-N 3.08Å; R79-L83 HydrophobicContact CG-CD1 4.22Å; R79-L83 HydrophobicContact CG-CG 4.43Å; R79-L83 WeakPolarHBondContact O-CB 3.47Å; R79-L83 WeakPolarHBondContact O-CG 3.34Å; R79-L83 PolarHBondContact O-N 2.92Å
80R85.6Confident76.9Confident28 Ų2866.4 Ų66.411%0.10632%0.319CS..Hα-helixtrans-55.6-55.8170.7-168.7-166.170.858.41.4109.9I6 V9 L76 E77 G82 L83 E84I6-R80 HydrophobicContact CB-CG 3.95Å; I6-R80 HydrophobicContact CG2-CG 3.53Å; I6-R80 WeakPolarHBondContact O-CD 3.29Å; I6-R80 VanDerWaalsContact O-CG 3.28Å; I6-R80 WeakPolarHBondContact O-CG 3.3Å; I6-R80 PolarHBondContact O-NE 3.39Å; I6-R80 PolarHBondContact O-NH1 2.8Å; V9-R80 HydrophobicContact CG2-CB 3.54Å; V9-R80 HydrophobicContact CG2-CG 3.43Å; V9-R80 VanDerWaalsContact CG2-CG 3.43Å; L76-R80 PolarHBondContact O-N 3.22Å; E77-R80 VanDerWaalsContact O-CB 3.24Å; E77-R80 WeakPolarHBondContact O-CB 3.42Å; E77-R80 PolarHBondContact O-N 3.39Å; E77-R80 VanDerWaalsContact O-N 3.17Å; E77-R80 IonicContact OE1-CZ 3.86Å; E77-R80 IonicContact OE1-NE 3.26Å; E77-R80 PolarHBondContact OE1-NE 3.29Å; E77-R80 IonicContact OE1-NH2 3.71Å; E77-R80 PolarHBondContact OE1-NH2 3.35Å; E77-R80 VanDerWaalsContact OE2-CD 3.32Å; E77-R80 WeakPolarHBondContact OE2-CD 3.28Å; E77-R80 IonicContact OE2-NE 3.21Å; E77-R80 PolarHBondContact OE2-NE 2.94Å; R80-G82 PolarHBondContact O-N 3.46Å; R80-L83 PolarHBondContact O-N 3.16Å; R80-E84 IonicContact CZ-OE2 2.71Å; R80-E84 IonicContact NH1-OE1 3.94Å; R80-E84 IonicContact NH1-OE2 3.7Å; R80-E84 PolarHBondContact NH1-OE2 2.8Å; R80-E84 IonicContact NH2-OE2 2.7Å; R80-E84 WeakPolarHBondContact O-CB 3.42Å; R80-E84 PolarHBondContact O-N 3.39Å
81Q84.7Confident78.6Confident98 Ų9862.3 Ų62.346%0.45830%0.297SS..Hα-helixtrans-61.7-41.8179.7-67.9172.912.500111.9E77 E84 A85E77-Q81 WeakPolarHBondContact O-CG 3.49Å; E77-Q81 PolarHBondContact O-N 3.06Å; E77-Q81 PolarHBondContact OE1-NE2 3.21Å; Q81-E84 PolarHBondContact O-N 2.75Å; Q81-A85 WeakPolarHBondContact O-CB 3.48Å; Q81-A85 PolarHBondContact O-N 3.39Å
82G88Confident79.9Confident20 Ų2068.1 Ų68.121%0.20632%0.32CS..Hα-helixtrans-65.9-39177.600000113Q78 R79 R80 Y86Q78-G82 PolarHBondContact O-N 2.85Å; R79-G82 PolarHBondContact O-N 3.08Å; R80-G82 PolarHBondContact O-N 3.46Å; G82-Y86 WeakPolarHBondContact O-CB 3.46Å; G82-Y86 PolarHBondContact O-N 2.77Å
83L88.1Confident81.4Confident0 Ų061.1 Ų61.10%030%0.3CS..Hα-helixtrans-70.1-37.3175-71.5174.6000111.8I6 F27 Y44 F47 F63 P64 R79 R80 Y86 I87I6-L83 HydrophobicContact CD1-CB 3.74Å; F27-L83 HydrophobicContact CD1-CD1 3.81Å; F27-L83 HydrophobicContact CD2-CD1 4.22Å; F27-L83 HydrophobicContact CE1-CD1 3.86Å; F27-L83 HydrophobicContact CE2-CD1 4.27Å; F27-L83 HydrophobicContact CG-CD1 4.04Å; F27-L83 HydrophobicContact CZ-CD1 4.12Å; Y44-L83 HydrophobicContact CD2-CD1 4.15Å; Y44-L83 HydrophobicContact CD2-CD2 4.31Å; Y44-L83 HydrophobicContact CE2-CD2 4.32Å; F47-L83 HydrophobicContact CB-CD2 3.86Å; F47-L83 HydrophobicContact CD1-CB 4.36Å; F47-L83 HydrophobicContact CD1-CD1 4.28Å; F47-L83 HydrophobicContact CD1-CD2 3.81Å; F47-L83 HydrophobicContact CD1-CG 4.38Å; F47-L83 HydrophobicContact CD2-CD1 4.11Å; F47-L83 HydrophobicContact CE1-CB 4.19Å; F47-L83 HydrophobicContact CE1-CD1 4.25Å; F47-L83 HydrophobicContact CE1-CD2 4.44Å; F47-L83 HydrophobicContact CE2-CD1 4.11Å; F47-L83 HydrophobicContact CG-CD1 4.19Å; F47-L83 HydrophobicContact CG-CD2 3.85Å; F47-L83 HydrophobicContact CZ-CD1 4.17Å; F63-L83 HydrophobicContact CE2-CD2 4.07Å; F63-L83 HydrophobicContact CZ-CD2 4.04Å; P64-L83 HydrophobicContact CG-CD2 4.13Å; R79-L83 HydrophobicContact CG-CD1 4.22Å; R79-L83 HydrophobicContact CG-CG 4.43Å; R79-L83 WeakPolarHBondContact O-CB 3.47Å; R79-L83 WeakPolarHBondContact O-CG 3.34Å; R79-L83 PolarHBondContact O-N 2.92Å; R80-L83 PolarHBondContact O-N 3.16Å; L83-Y86 WeakPolarHBondContact O-CB 3.37Å; L83-Y86 PolarHBondContact O-N 2.87Å; L83-I87 PolarHBondContact O-N 2.87Å
84E90Very high82.6Confident29 Ų2956 Ų5614%0.13627%0.268CS..Hα-helixtrans-62.2-54.1174.6178.1170.5-13600110.6H5 I6 R80 Q81 Y86 I87 Q88H5-E84 WeakPolarHBondContact CA-OE1 3.3Å; H5-E84 IonicContact CD2-OE1 2.7Å; H5-E84 IonicContact CG-OE1 3.18Å; I6-E84 HydrophobicContact CB-CB 4.23Å; I6-E84 HydrophobicContact CD1-CB 4.05Å; I6-E84 HydrophobicContact CG1-CB 3.94Å; I6-E84 HydrophobicContact CG1-CG 4.49Å; I6-E84 PolarHBondContact N-OE1 3.07Å; R80-E84 IonicContact CZ-OE2 2.71Å; R80-E84 IonicContact NH1-OE1 3.94Å; R80-E84 IonicContact NH1-OE2 3.7Å; R80-E84 PolarHBondContact NH1-OE2 2.8Å; R80-E84 IonicContact NH2-OE2 2.7Å; R80-E84 WeakPolarHBondContact O-CB 3.42Å; R80-E84 PolarHBondContact O-N 3.39Å; Q81-E84 PolarHBondContact O-N 2.75Å; E84-Y86 PolarHBondContact O-N 2.79Å; E84-I87 PolarHBondContact O-N 2.8Å; E84-Q88 WeakPolarHBondContact O-CB 3.11Å; E84-Q88 VanDerWaalsContact O-CG 3.31Å; E84-Q88 WeakPolarHBondContact O-CG 3.39Å; E84-Q88 PolarHBondContact O-N 2.92Å
85A87.6Confident83.3Confident57 Ų5755.7 Ų55.747%0.47128%0.275SS..Hα-helixtrans-59-35.1175.700000112.2Q81 G89Q81-A85 WeakPolarHBondContact O-CB 3.48Å; Q81-A85 PolarHBondContact O-N 3.39Å; A85-G89 WeakPolarHBondContact O-CA 3.41Å; A85-G89 PolarHBondContact O-N 3.39Å
86Y88.3Confident83.8Confident4 Ų462.8 Ų62.82%0.01631%0.307CS..Hα-helixtrans-64.5-48.3175.7173-104.7000112.2H51 I54 V60 P61 F63 G82 L83 E84 G89 I90H51-Y86 WeakPolarHBondContact CA-OH 3.27Å; H51-Y86 HydrophobicContact CB-CE1 4.46Å; H51-Y86 WeakPolarHBondContact CB-OH 3.49Å; H51-Y86 AromaticContact ND1-CE2 3.56Å; H51-Y86 AromaticContact ND1-CZ 3.39Å; H51-Y86 PolarHBondContact ND1-OH 2.85Å; I54-Y86 WeakPolarHBondContact CD1-OH 3.44Å; V60-Y86 HydrophobicContact CG1-CE2 3.48Å; V60-Y86 VanDerWaalsContact CG1-CE2 3.48Å; V60-Y86 WeakPolarHBondContact CG1-OH 3.39Å; P61-Y86 HydrophobicContact CB-CD2 4.25Å; P61-Y86 HydrophobicContact CG-CD2 4.43Å; P61-Y86 WeakPolarHBondContact O-CE2 3.37Å; F63-Y86 HydrophobicContact CD2-CD1 4.06Å; F63-Y86 HydrophobicContact CD2-CD2 4.15Å; F63-Y86 AromaticContact CD2-CE1 3.83Å; F63-Y86 HydrophobicContact CD2-CE1 3.83Å; F63-Y86 AromaticContact CD2-CE2 3.96Å; F63-Y86 HydrophobicContact CD2-CE2 3.96Å; F63-Y86 HydrophobicContact CD2-CG 4.21Å; F63-Y86 AromaticContact CD2-CZ 3.8Å; F63-Y86 HydrophobicContact CE2-CD1 4.16Å; F63-Y86 AromaticContact CE2-CE1 3.99Å; F63-Y86 HydrophobicContact CE2-CE1 3.99Å; G82-Y86 WeakPolarHBondContact O-CB 3.46Å; G82-Y86 PolarHBondContact O-N 2.77Å; L83-Y86 WeakPolarHBondContact O-CB 3.37Å; L83-Y86 PolarHBondContact O-N 2.87Å; E84-Y86 PolarHBondContact O-N 2.79Å; Y86-G89 PolarHBondContact O-N 3.4Å; Y86-I90 HydrophobicContact CD1-CD1 3.94Å; Y86-I90 HydrophobicContact CE1-CD1 3.42Å; Y86-I90 VanDerWaalsContact CE1-CD1 3.42Å; Y86-I90 HydrophobicContact CE2-CD1 4.05Å; Y86-I90 HydrophobicContact CE2-CG1 4.37Å; Y86-I90 HydrophobicContact CG-CD1 4.45Å; Y86-I90 VanDerWaalsContact CZ-CD1 3.45Å; Y86-I90 WeakPolarHBondContact O-CG1 3.35Å; Y86-I90 PolarHBondContact O-N 3.41Å
87I87.9Confident84.1Confident0 Ų062.1 Ų62.10%031%0.305CS..Hα-helixtrans-66.7-44.9177.8-66.2176.5000110.8V4 V29 F47 L83 E84 G89 I90 L91 L101 F104V4-I87 HydrophobicContact CB-CG2 3.97Å; V4-I87 HydrophobicContact CG1-CB 4.39Å; V4-I87 HydrophobicContact CG1-CG2 3.78Å; V4-I87 HydrophobicContact CG2-CG2 4.05Å; V29-I87 HydrophobicContact CG1-CD1 4.45Å; F47-I87 HydrophobicContact CD1-CD1 4.01Å; F47-I87 HydrophobicContact CE1-CD1 3.54Å; L83-I87 PolarHBondContact O-N 2.87Å; E84-I87 PolarHBondContact O-N 2.8Å; I87-G89 VanDerWaalsContact C-N 3.27Å; I87-G89 PolarHBondContact O-N 2.85Å; I87-I90 PolarHBondContact O-N 3.13Å; I87-I90 VanDerWaalsContact O-N 3.16Å; I87-L91 HydrophobicContact CG2-CD1 4.25Å; I87-L91 WeakPolarHBondContact O-CG 3.47Å; I87-L91 PolarHBondContact O-N 3.49Å; I87-L101 HydrophobicContact CG2-CD1 4.18Å; I87-L101 HydrophobicContact CG2-CD2 4.43Å; I87-F104 HydrophobicContact CD1-CE1 4.18Å
88Q89.1Confident84.3Confident77 Ų7758.3 Ų58.336%0.3629%0.288SS..Hα-helixtrans-58.7-40.9175.4-70.7175.6-12.600111.3V4 E84 I90 L91 Y92V4-Q88 WeakPolarHBondContact O-CG 3.44Å; V4-Q88 PolarHBondContact O-NE2 3.33Å; E84-Q88 WeakPolarHBondContact O-CB 3.11Å; E84-Q88 VanDerWaalsContact O-CG 3.31Å; E84-Q88 WeakPolarHBondContact O-CG 3.39Å; E84-Q88 PolarHBondContact O-N 2.92Å; Q88-I90 PolarHBondContact O-N 2.9Å; Q88-L91 PolarHBondContact O-N 3.25Å; Q88-Y92 WeakPolarHBondContact O-CB 3.37Å; Q88-Y92 PolarHBondContact O-N 2.93Å
89G87.3Confident84.4Confident18 Ų1861 Ų6119%0.18630%0.298CS..Hα-helixtrans-64.3-38175.900000113.2A85 Y86 I87 Y92 L93A85-G89 WeakPolarHBondContact O-CA 3.41Å; A85-G89 PolarHBondContact O-N 3.39Å; Y86-G89 PolarHBondContact O-N 3.4Å; I87-G89 VanDerWaalsContact C-N 3.27Å; I87-G89 PolarHBondContact O-N 2.85Å; G89-Y92 PolarHBondContact O-N 3.06Å; G89-L93 VanDerWaalsContact O-CB 3.3Å; G89-L93 WeakPolarHBondContact O-CB 3.43Å; G89-L93 WeakPolarHBondContact O-CG 3.4Å; G89-L93 PolarHBondContact O-N 2.91Å
90I86.3Confident84.8Confident0 Ų059.8 Ų59.80%030%0.295CS..Hα-helixtrans-62.7-44.9172.5-64.6157.5000110.4I54 V60 P61 Y86 I87 Q88 Y92 L93 N94 P98 L101I54-I90 HydrophobicContact CD1-CD1 3.37Å; I54-I90 HydrophobicContact CD1-CG1 4.06Å; I54-I90 HydrophobicContact CD1-CG2 4.4Å; V60-I90 HydrophobicContact CG1-CG1 4.49Å; P61-I90 HydrophobicContact CG-CG1 4.46Å; Y86-I90 HydrophobicContact CD1-CD1 3.94Å; Y86-I90 HydrophobicContact CE1-CD1 3.42Å; Y86-I90 VanDerWaalsContact CE1-CD1 3.42Å; Y86-I90 HydrophobicContact CE2-CD1 4.05Å; Y86-I90 HydrophobicContact CE2-CG1 4.37Å; Y86-I90 HydrophobicContact CG-CD1 4.45Å; Y86-I90 VanDerWaalsContact CZ-CD1 3.45Å; Y86-I90 WeakPolarHBondContact O-CG1 3.35Å; Y86-I90 PolarHBondContact O-N 3.41Å; I87-I90 PolarHBondContact O-N 3.13Å; I87-I90 VanDerWaalsContact O-N 3.16Å; Q88-I90 PolarHBondContact O-N 2.9Å; I90-Y92 VanDerWaalsContact C-N 3.3Å; I90-Y92 PolarHBondContact O-N 3.25Å; I90-L93 PolarHBondContact O-N 3.22Å; I90-N94 WeakPolarHBondContact O-CB 3.33Å; I90-N94 PolarHBondContact O-N 3.18Å; I90-N94 VanDerWaalsContact O-N 3.13Å; I90-N94 PolarHBondContact O-ND2 2.87Å; I90-P98 HydrophobicContact CG2-CG 4.01Å; I90-L101 HydrophobicContact CB-CD2 4.49Å; I90-L101 HydrophobicContact CG2-CD2 3.95Å
91L85.9Confident84.8Confident31 Ų3158.4 Ų58.416%0.16229%0.29CS..Hα-helixtrans-66-33.6179.6-66.8175.6000112.5L2 V4 I87 Q88 V97 L101L2-L91 HydrophobicContact CD2-CD1 4.36Å; L2-L91 HydrophobicContact CD2-CD2 3.79Å; L2-L91 HydrophobicContact CG-CD1 4.45Å; V4-L91 HydrophobicContact CB-CD1 4.17Å; V4-L91 HydrophobicContact CG2-CD1 3.55Å; I87-L91 HydrophobicContact CG2-CD1 4.25Å; I87-L91 WeakPolarHBondContact O-CG 3.47Å; I87-L91 PolarHBondContact O-N 3.49Å; Q88-L91 PolarHBondContact O-N 3.25Å; L91-V97 HydrophobicContact CD2-CB 4.42Å; L91-V97 HydrophobicContact CD2-CG1 3.83Å; L91-V97 HydrophobicContact CD2-CG2 3.76Å; L91-L101 HydrophobicContact CD2-CD2 3.73Å; L91-L101 HydrophobicContact CG-CD2 4.22Å
92Y84.6Confident84.9Confident204 Ų20456.2 Ų56.280%0.828%0.281SS*.Hα-helixtrans-74.6-41.4177.4-176.7-98.9000112.5Q88 G89 I90Q88-Y92 WeakPolarHBondContact O-CB 3.37Å; Q88-Y92 PolarHBondContact O-N 2.93Å; G89-Y92 PolarHBondContact O-N 3.06Å; I90-Y92 VanDerWaalsContact C-N 3.3Å; I90-Y92 PolarHBondContact O-N 3.25Å
93L83.8Confident84.8Confident89 Ų8959.3 Ų59.347%0.46629%0.29SS..Hα-helixtrans-77.3-23.9-175.9-70.5173.3000113.7P61 G89 I90P61-L93 HydrophobicContact CG-CD1 3.79Å; G89-L93 VanDerWaalsContact O-CB 3.3Å; G89-L93 WeakPolarHBondContact O-CB 3.43Å; G89-L93 WeakPolarHBondContact O-CG 3.4Å; G89-L93 PolarHBondContact O-N 2.91Å; I90-L93 PolarHBondContact O-N 3.22Å
94N81.1Confident84.7Confident19 Ų1960 Ų6010%0.10229%0.293CS..  trans-110.3118.6-176.6-60.6-82.5000109.4K59 I90 E96K59-N94 PolarHBondContact O-ND2 3.1Å; I90-N94 WeakPolarHBondContact O-CB 3.33Å; I90-N94 PolarHBondContact O-N 3.18Å; I90-N94 VanDerWaalsContact O-N 3.13Å; I90-N94 PolarHBondContact O-ND2 2.87Å; N94-E96 WeakPolarHBondContact CB-O 3.39Å; N94-E96 PolarHBondContact O-N 3.39Å
95Q73.6Confident84.5Confident201 Ų20158.7 Ų58.794%0.93929%0.287SS*.SBendtrans-60.6-35.2172.7-72.9-178.43.900111.3
96E76.2Confident84.2Confident154 Ų15463.8 Ų63.872%0.7229%0.294SS*.SBendtrans-108126.3175.1-66.4-61.1158.800110.6N94 P98N94-E96 WeakPolarHBondContact CB-O 3.39Å; N94-E96 PolarHBondContact O-N 3.39Å; E96-P98 WeakPolarHBondContact O-CD 3.35Å
97V80.4Confident83.5Confident41 Ų4164 Ų6425%0.24830%0.295CS..  trans-69.7125.3-177.4-1780000110L2 L91 K99 L101 L102L2-V97 HydrophobicContact CD2-CG1 4.24Å; L2-V97 HydrophobicContact CD2-CG2 4.17Å; L91-V97 HydrophobicContact CD2-CB 4.42Å; L91-V97 HydrophobicContact CD2-CG1 3.83Å; L91-V97 HydrophobicContact CD2-CG2 3.76Å; V97-K99 PolarHBondContact O-N 3.47Å; V97-L101 HydrophobicContact CG1-CB 4.41Å; V97-L101 HydrophobicContact CG1-CD2 3.99Å; V97-L101 HydrophobicContact CG1-CG 4.38Å; V97-L102 HydrophobicContact CB-CD1 4.1Å; V97-L102 HydrophobicContact CG1-CD1 3.94Å; V97-L102 HydrophobicContact CG1-CG 3.97Å; V97-L102 WeakPolarHBondContact O-CD1 3.34Å
98P83.1Confident82.3Confident0 Ų069.8 Ų69.80%032%0.317CS..  trans-54.8134.3179.2-28.736000112.7I54 Y58 I90 E96 E100 L101 L102I54-P98 HydrophobicContact CG2-CB 4.04Å; Y58-P98 HydrophobicContact CD1-CG 4.09Å; Y58-P98 HydrophobicContact CD2-CB 3.78Å; Y58-P98 HydrophobicContact CD2-CG 3.82Å; Y58-P98 HydrophobicContact CE1-CG 4.34Å; Y58-P98 HydrophobicContact CE2-CB 3.66Å; Y58-P98 HydrophobicContact CE2-CG 4.1Å; Y58-P98 HydrophobicContact CG-CB 4.29Å; Y58-P98 HydrophobicContact CG-CG 3.82Å; I90-P98 HydrophobicContact CG2-CG 4.01Å; E96-P98 WeakPolarHBondContact O-CD 3.35Å; P98-E100 PolarHBondContact O-N 2.9Å; P98-E100 VanDerWaalsContact O-N 3.16Å; P98-L101 HydrophobicContact CB-CB 4.16Å; P98-L101 WeakPolarHBondContact O-CA 3.18Å; P98-L101 WeakPolarHBondContact O-CB 3.18Å; P98-L101 PolarHBondContact O-N 3.22Å; P98-L102 PolarHBondContact O-N 3.38Å; P98-L102 VanDerWaalsContact O-N 3.08Å
99K82.9Confident80.7Confident145 Ų14574.3 Ų74.363%0.6334%0.338SS*.Hα-helixtrans-59.5-31.1-178.6-66.5-179.7-178.4178.50112.1V97 E103 R108V97-K99 PolarHBondContact O-N 3.47Å; K99-E103 PolarHBondContact O-N 3.32Å; K99-R108 VanDerWaalsContact C-NH2 3.32Å; K99-R108 PolarHBondContact O-NE 3.4Å; K99-R108 VanDerWaalsContact O-NE 3.09Å; K99-R108 PolarHBondContact O-NH2 3.02Å
100E86.6Confident78.8Confident40 Ų4076.5 Ų76.519%0.18734%0.342CS..Hα-helixtrans-70.2-34.3176.1-59.276.3-171.700111.5L50 R53 I54 P98 E103 F104L50-E100 HydrophobicContact CD1-CB 3.88Å; R53-E100 HydrophobicContact CB-CG 4.44Å; I54-E100 HydrophobicContact CG2-CB 3.8Å; I54-E100 HydrophobicContact CG2-CG 4.31Å; P98-E100 PolarHBondContact O-N 2.9Å; P98-E100 VanDerWaalsContact O-N 3.16Å; E100-E103 PolarHBondContact O-N 2.98Å; E100-F104 VanDerWaalsContact O-CB 3.27Å; E100-F104 WeakPolarHBondContact O-CB 3.49Å; E100-F104 PolarHBondContact O-N 2.93Å
101L85.9Confident76.7Confident0 Ų081.7 Ų81.70%038%0.376CS..Hα-helixtrans-69.5-42.3174.3-179.662.9000110.1L50 I87 I90 L91 V97 P98 E103 F104 L105L50-L101 HydrophobicContact CD2-CD1 3.73Å; I87-L101 HydrophobicContact CG2-CD1 4.18Å; I87-L101 HydrophobicContact CG2-CD2 4.43Å; I90-L101 HydrophobicContact CB-CD2 4.49Å; I90-L101 HydrophobicContact CG2-CD2 3.95Å; L91-L101 HydrophobicContact CD2-CD2 3.73Å; L91-L101 HydrophobicContact CG-CD2 4.22Å; V97-L101 HydrophobicContact CG1-CB 4.41Å; V97-L101 HydrophobicContact CG1-CD2 3.99Å; V97-L101 HydrophobicContact CG1-CG 4.38Å; P98-L101 HydrophobicContact CB-CB 4.16Å; P98-L101 WeakPolarHBondContact O-CA 3.18Å; P98-L101 WeakPolarHBondContact O-CB 3.18Å; P98-L101 PolarHBondContact O-N 3.22Å; L101-E103 VanDerWaalsContact C-N 3.3Å; L101-E103 PolarHBondContact O-N 2.9Å; L101-F104 HydrophobicContact CD1-CD1 4.3Å; L101-F104 CarbonylContact O-C 3.54Å; L101-F104 WeakPolarHBondContact O-CB 3.16Å; L101-F104 PolarHBondContact O-N 2.89Å; L101-L105 HydrophobicContact CD1-CD1 4.08Å; L101-L105 HydrophobicContact CD1-CG 4.09Å; L101-L105 HydrophobicContact CG-CD1 4.05Å; L101-L105 HydrophobicContact CG-CG 4.39Å; L101-L105 WeakPolarHBondContact O-CB 3.38Å; L101-L105 VanDerWaalsContact O-CG 3.28Å; L101-L105 WeakPolarHBondContact O-CG 3.42Å; L101-L105 PolarHBondContact O-N 3.02Å
102L85.8Confident74.6Confident51 Ų5186.2 Ų86.227%0.26741%0.405SS..Hα-helixtrans-59.5-39.9173-75.8134.5000112.1V97 P98 L105 R106 L107 R108V97-L102 HydrophobicContact CB-CD1 4.1Å; V97-L102 HydrophobicContact CG1-CD1 3.94Å; V97-L102 HydrophobicContact CG1-CG 3.97Å; V97-L102 WeakPolarHBondContact O-CD1 3.34Å; P98-L102 PolarHBondContact O-N 3.38Å; P98-L102 VanDerWaalsContact O-N 3.08Å; L102-L105 CarbonylContact O-C 3.55Å; L102-L105 PolarHBondContact O-N 2.82Å; L102-R106 PolarHBondContact O-N 2.74Å; L102-R106 VanDerWaalsContact O-N 3.11Å; L102-L107 HydrophobicContact CD2-CB 3.95Å; L102-L107 HydrophobicContact CD2-CD1 4.35Å; L102-L107 PolarHBondContact O-N 3.01Å; L102-R108 HydrophobicContact CB-CG 4.21Å
103E86.9Confident72.4Confident86 Ų8682 Ų8240%0.40240%0.397SS..Hα-helixtrans-65.8-45.1174.6-164-177.916200111.9K99 E100 L101 L105 R106 R108K99-E103 PolarHBondContact O-N 3.32Å; E100-E103 PolarHBondContact O-N 2.98Å; L101-E103 VanDerWaalsContact C-N 3.3Å; L101-E103 PolarHBondContact O-N 2.9Å; E103-L105 VanDerWaalsContact C-N 3.26Å; E103-L105 PolarHBondContact O-N 3.46Å; E103-R106 PolarHBondContact O-N 3.39Å; E103-R108 HydrophobicContact CB-CG 4.33Å; E103-R108 VanDerWaalsContact CD-NH1 3.27Å; E103-R108 IonicContact OE1-NH1 3.61Å; E103-R108 IonicContact OE2-CZ 2.96Å; E103-R108 IonicContact OE2-NH1 3.92Å; E103-R108 PolarHBondContact OE2-NH1 3.09Å; E103-R108 IonicContact OE2-NH2 2.81Å; E103-R108 PolarHBondContact OE2-NH2 3.03Å
104F85.8Confident70.6Confident15 Ų1583.8 Ų83.87%0.06641%0.414CS..Hα-helixtrans-61.7-35.2175.9177.1-95.1000111.9R42 E46 F47 L50 I87 E100 L101 R106R42-F104 HydrophobicContact CB-CE2 4.17Å; R42-F104 HydrophobicContact CB-CZ 3.72Å; R42-F104 HydrophobicContact CG-CE1 3.97Å; R42-F104 HydrophobicContact CG-CE2 3.81Å; R42-F104 HydrophobicContact CG-CZ 3.47Å; R42-F104 VanDerWaalsContact CG-CZ 3.47Å; R42-F104 PolarHBondContact NE-O 3.1Å; R42-F104 PolarHBondContact NH2-O 2.85Å; E46-F104 HydrophobicContact CB-CD2 4.47Å; E46-F104 HydrophobicContact CB-CE2 3.72Å; F47-F104 HydrophobicContact CD1-CE1 4.06Å; F47-F104 AromaticContact CD1-CZ 3.68Å; F47-F104 HydrophobicContact CD1-CZ 3.68Å; F47-F104 AromaticContact CD2-CZ 3.92Å; F47-F104 HydrophobicContact CD2-CZ 3.92Å; F47-F104 AromaticContact CE1-CE1 3.93Å; F47-F104 HydrophobicContact CE1-CE1 3.93Å; F47-F104 AromaticContact CE1-CZ 3.76Å; F47-F104 HydrophobicContact CE1-CZ 3.76Å; F47-F104 AromaticContact CE2-CZ 3.97Å; F47-F104 HydrophobicContact CE2-CZ 3.97Å; F47-F104 HydrophobicContact CG-CE2 4.46Å; F47-F104 AromaticContact CG-CZ 3.78Å; F47-F104 HydrophobicContact CG-CZ 3.78Å; F47-F104 HydrophobicContact CZ-CE1 4.32Å; F47-F104 AromaticContact CZ-CZ 3.9Å; F47-F104 HydrophobicContact CZ-CZ 3.9Å; L50-F104 HydrophobicContact CB-CD2 4.23Å; L50-F104 HydrophobicContact CD1-CB 4.08Å; L50-F104 HydrophobicContact CD2-CB 4.06Å; L50-F104 HydrophobicContact CD2-CD1 3.78Å; L50-F104 HydrophobicContact CD2-CD2 4.2Å; L50-F104 HydrophobicContact CD2-CE1 4.26Å; L50-F104 HydrophobicContact CD2-CG 3.74Å; L50-F104 HydrophobicContact CG-CG 4.49Å; I87-F104 HydrophobicContact CD1-CE1 4.18Å; E100-F104 VanDerWaalsContact O-CB 3.27Å; E100-F104 WeakPolarHBondContact O-CB 3.49Å; E100-F104 PolarHBondContact O-N 2.93Å; L101-F104 HydrophobicContact CD1-CD1 4.3Å; L101-F104 CarbonylContact O-C 3.54Å; L101-F104 WeakPolarHBondContact O-CB 3.16Å; L101-F104 PolarHBondContact O-N 2.89Å; F104-R106 VanDerWaalsContact C-N 3.25Å; F104-R106 PolarHBondContact O-N 2.7Å
105L85.3Confident68.7Low1 Ų192.3 Ų92.31%0.00545%0.45CS..THydrogen-bonded Turntrans-854174.9-63.1-179.2000112.9V4 V29 V31 V40 L101 L102 E103 L107V4-L105 HydrophobicContact CG2-CD1 4.08Å; V29-L105 HydrophobicContact CG1-CD2 3.75Å; V31-L105 HydrophobicContact CG1-CD1 4.45Å; V31-L105 HydrophobicContact CG2-CB 4.2Å; V31-L105 HydrophobicContact CG2-CD1 3.97Å; V31-L105 HydrophobicContact CG2-CD2 3.72Å; V31-L105 HydrophobicContact CG2-CG 4.16Å; V40-L105 WeakPolarHBondContact CG2-O 3.44Å; L101-L105 HydrophobicContact CD1-CD1 4.08Å; L101-L105 HydrophobicContact CD1-CG 4.09Å; L101-L105 HydrophobicContact CG-CD1 4.05Å; L101-L105 HydrophobicContact CG-CG 4.39Å; L101-L105 WeakPolarHBondContact O-CB 3.38Å; L101-L105 VanDerWaalsContact O-CG 3.28Å; L101-L105 WeakPolarHBondContact O-CG 3.42Å; L101-L105 PolarHBondContact O-N 3.02Å; L102-L105 CarbonylContact O-C 3.55Å; L102-L105 PolarHBondContact O-N 2.82Å; E103-L105 VanDerWaalsContact C-N 3.26Å; E103-L105 PolarHBondContact O-N 3.46Å; L105-L107 HydrophobicContact CB-CD1 3.58Å; L105-L107 HydrophobicContact CB-CD2 4.35Å; L105-L107 HydrophobicContact CB-CG 3.54Å; L105-L107 HydrophobicContact CD1-CD1 3.85Å; L105-L107 HydrophobicContact CG-CD1 4.38Å; L105-L107 WeakPolarHBondContact O-CG 3.49Å; L105-L107 PolarHBondContact O-N 2.88Å; L105-L107 VanDerWaalsContact O-N 3.15Å
106R80.8Confident67.2Low163 Ų16387 Ų8762%0.61544%0.44SS*.THydrogen-bonded Turntrans53.728.1-175.6-60.5-175.1172.6169.7-2.1113.5V40 L102 E103 F104V40-R106 HydrophobicContact CG1-CG 4.24Å; L102-R106 PolarHBondContact O-N 2.74Å; L102-R106 VanDerWaalsContact O-N 3.11Å; E103-R106 PolarHBondContact O-N 3.39Å; F104-R106 VanDerWaalsContact C-N 3.25Å; F104-R106 PolarHBondContact O-N 2.7Å
107L74.3Confident65.2Low8 Ų884.4 Ų84.44%0.04244%0.439CS..G310 helixtrans-89.2-7-179.9-54.7174.8000112.5L2 V31 L102 L105 H109 F110L2-L107 HydrophobicContact CD1-CD1 3.98Å; L2-L107 HydrophobicContact CD2-CD1 4.32Å; V31-L107 HydrophobicContact CB-CD2 4.45Å; V31-L107 HydrophobicContact CG1-CD1 3.87Å; V31-L107 HydrophobicContact CG1-CD2 4.02Å; L102-L107 HydrophobicContact CD2-CB 3.95Å; L102-L107 HydrophobicContact CD2-CD1 4.35Å; L102-L107 PolarHBondContact O-N 3.01Å; L105-L107 HydrophobicContact CB-CD1 3.58Å; L105-L107 HydrophobicContact CB-CD2 4.35Å; L105-L107 HydrophobicContact CB-CG 3.54Å; L105-L107 HydrophobicContact CD1-CD1 3.85Å; L105-L107 HydrophobicContact CG-CD1 4.38Å; L105-L107 WeakPolarHBondContact O-CG 3.49Å; L105-L107 PolarHBondContact O-N 2.88Å; L105-L107 VanDerWaalsContact O-N 3.15Å; L107-H109 PolarHBondContact O-N 2.9Å; L107-F110 HydrophobicContact CB-CD2 3.88Å; L107-F110 HydrophobicContact CB-CE2 3.67Å; L107-F110 HydrophobicContact CD1-CE2 4.48Å; L107-F110 HydrophobicContact CD2-CE2 3.49Å; L107-F110 VanDerWaalsContact CD2-CE2 3.49Å; L107-F110 HydrophobicContact CD2-CZ 4.01Å; L107-F110 HydrophobicContact CG-CE2 3.99Å; L107-F110 WeakPolarHBondContact O-CD2 3.38Å; L107-F110 PolarHBondContact O-N 3.38Å
108R62.9Low63.7Low122 Ų12290 Ų9046%0.4647%0.467SS..G310 helixtrans-61.5-9.4177.3-80.4-163.1-176.5158.512.1114.6K99 L102 E103K99-R108 VanDerWaalsContact C-NH2 3.32Å; K99-R108 PolarHBondContact O-NE 3.4Å; K99-R108 VanDerWaalsContact O-NE 3.09Å; K99-R108 PolarHBondContact O-NH2 3.02Å; L102-R108 HydrophobicContact CB-CG 4.21Å; E103-R108 HydrophobicContact CB-CG 4.33Å; E103-R108 VanDerWaalsContact CD-NH1 3.27Å; E103-R108 IonicContact OE1-NH1 3.61Å; E103-R108 IonicContact OE2-CZ 2.96Å; E103-R108 IonicContact OE2-NH1 3.92Å; E103-R108 PolarHBondContact OE2-NH1 3.09Å; E103-R108 IonicContact OE2-NH2 2.81Å; E103-R108 PolarHBondContact OE2-NH2 3.03Å
109H55.5Low61.6Low172 Ų172101.6 Ų101.680%0.79651%0.511SS*.G310 helixtrans-107.925.4173.3-59.8-72.2000113.3L107 P111L107-H109 PolarHBondContact O-N 2.9Å; H109-P111 VanDerWaalsContact O-CD 3.26Å; H109-P111 WeakPolarHBondContact O-CD 3.41Å
110F47Very low59.6Low64 Ų6497.5 Ų97.528%0.28151%0.511SS..SBendtrans-62.4122151.2-74.7-71.4000106C33 H38 L107 T112C33-F110 HydrophobicContact CB-CE2 4.14Å; C33-F110 HydrophobicContact CB-CZ 3.75Å; H38-F110 AromaticContact CD2-CZ 3.9Å; H38-F110 AromaticContact NE2-CE1 3.65Å; H38-F110 AromaticContact NE2-CZ 3.44Å; H38-F110 WeakPolarHBondContact NE2-CZ 3.16Å; L107-F110 HydrophobicContact CB-CD2 3.88Å; L107-F110 HydrophobicContact CB-CE2 3.67Å; L107-F110 HydrophobicContact CD1-CE2 4.48Å; L107-F110 HydrophobicContact CD2-CE2 3.49Å; L107-F110 VanDerWaalsContact CD2-CE2 3.49Å; L107-F110 HydrophobicContact CD2-CZ 4.01Å; L107-F110 HydrophobicContact CG-CE2 3.99Å; L107-F110 WeakPolarHBondContact O-CD2 3.38Å; L107-F110 PolarHBondContact O-N 3.38Å; F110-T112 PolarHBondContact O-N 3.16Å
111P43.1Very low57.6Low110 Ų110100.5 Ų100.571%0.71454%0.543SS*.  trans-61.994.7165.626.5-29.3000104.9H109 D113H109-P111 VanDerWaalsContact O-CD 3.26Å; H109-P111 WeakPolarHBondContact O-CD 3.41Å; P111-D113 PolarHBondContact O-N 3.04Å
112T41.8Very low55.3Low126 Ų126108.8 Ų108.877%0.77359%0.586SS**  trans-51.9114.7155.8-61.10000103.7F110F110-T112 PolarHBondContact O-N 3.16Å
113D38.4Very low53.4Low115 Ų115109.2 Ų109.262%0.61560%0.602SS**  trans-30.7125-177.9-160.9-39.6000111.1P111 K115P111-D113 PolarHBondContact O-N 3.04Å; D113-K115 PolarHBondContact O-N 3.17Å
114P45.2Very low51.4Low127 Ų127113.1 Ų113.183%0.82562%0.621SS**THydrogen-bonded Turntrans-62.710-172.823.8-34000115.3
115K41.1Very low49Very low197 Ų197121.3 Ų121.386%0.85766%0.657SS**THydrogen-bonded Turntrans-86.3-3.8-177.1-103.5-176.2175.4177.90116.8D113D113-K115 PolarHBondContact O-N 3.17Å
116A42.3Very low46.9Very low89 Ų89128.9 Ų128.974%0.73670%0.696SS**SBendtrans-122.42.3-168.600000118.6
117S35.2Very low45.3Very low101 Ų101126.8 Ų126.871%0.70670%0.704SS**  trans-14679.7170.974.50000112.9W119S117-W119 VanDerWaalsContact C-N 3.35Å; S117-W119 PolarHBondContact O-N 2.86Å; S117-W119 VanDerWaalsContact O-N 3.08Å
118N47.3Very low43.3Very low157 Ų157130 Ų13084%0.8474%0.738SS**  trans-65.893.1158.2-163.618000108.5
119W39.9Very low42.3Very low244 Ų244132.9 Ų132.992%0.92476%0.757SS**  trans-126.785155.4-78.994.8000106.4S117S117-W119 VanDerWaalsContact C-N 3.35Å; S117-W119 PolarHBondContact O-N 2.86Å; S117-W119 VanDerWaalsContact O-N 3.08Å
120G40.1Very low41.8Very low60 Ų60130.8 Ų130.862%0.61976%0.762SS**  trans-66.5161.3166.900000111.3
121A45.4Very low41.5Very low103 Ų103132.8 Ų132.885%0.85178%0.784SS**  trans81.385.2174.800000115.9
122L37.1Very low41.6Very low173 Ų173132.2 Ų132.291%0.90678%0.782SS**  -160.2119.6101.9-164.565.6000109.2
123G45.2Very low41.8Very low60 Ų60134.5 Ų134.562%0.61978%0.784SS**  trans-73.7168.4173.600000112.5
124E46.1Very low42.3Very low169 Ų169136.9 Ų136.979%0.7979%0.792SS**  trans93.1125162.9-61.1-177.2150.800118.3
125F34.3Very low42.5Very low186 Ų186138.9 Ų138.982%0.81679%0.79SS**  trans85.684.4165.9-51.3-71000118.2
126L43Very low43.3Very low161 Ų161138.3 Ų138.384%0.84379%0.79SS**  trans-79.8157.8140.5-76.5-178.6000108.7
127P45.7Very low44.1Very low119 Ų119144.3 Ų144.377%0.77379%0.794SS**  cis-141.5116.938.632.5-9.2000115.9E129P127-E129 PolarHBondContact O-N 3.21Å
128G33.7Very low45.5Very low74 Ų74145.5 Ų145.576%0.76380%0.799SS**  trans-85.6101.6163.200000110.2S130G128-S130 PolarHBondContact O-N 3.49Å
129E40.6Very low46.3Very low184 Ų184144.1 Ų144.186%0.8680%0.796SS**  trans-59.9115.3171.4-54.2-164.8132.400110P127P127-E129 PolarHBondContact O-N 3.21Å
130S45Very low47.9Very low127 Ų127139 Ų13989%0.88879%0.786SS**  trans158.554.9154.2-730000109.9G128G128-S130 PolarHBondContact O-N 3.49Å
131S40.8Very low48.8Very low106 Ų106140.4 Ų140.474%0.74179%0.786SS**  trans-113.3116.6159.4-174.90000106.5Q133S131-Q133 PolarHBondContact O-N 2.81Å
132S45.5Very low49.7Very low98 Ų98141.5 Ų141.569%0.68577%0.772SS**  trans-37.5112.2168.346.10000109.9Q134S132-Q134 PolarHBondContact O-N 3.02Å
133Q45.3Very low51.1Low174 Ų174142.6 Ų142.681%0.81377%0.772SS**  trans-54.487162.8-77.8172-24.400107.5S131 H135S131-Q133 PolarHBondContact O-N 2.81Å; Q133-H135 VanDerWaalsContact C-N 3.27Å; Q133-H135 PolarHBondContact O-N 2.94Å
134Q49.3Very low52Low166 Ų166146 Ų14678%0.77677%0.774SS**  trans-61.9106.9153.5-66.5-169.1-77.100103.7S132 Q136S132-Q134 PolarHBondContact O-N 3.02Å; Q134-Q136 PolarHBondContact O-N 3.41Å
135H49.1Very low53.1Low169 Ų169141.9 Ų141.978%0.78276%0.757SS**  trans-43.899.8-177.6-57.7144000109.5Q133 R137Q133-H135 VanDerWaalsContact C-N 3.27Å; Q133-H135 PolarHBondContact O-N 2.94Å; H135-R137 PolarHBondContact O-N 3.47Å
136Q58.1Low54.4Low185 Ų185136.4 Ų136.486%0.86474%0.74SS**  trans-64.289.8159.2-67.7-87.5-29.400103.3Q134 P138Q134-Q136 PolarHBondContact O-N 3.41Å; Q136-P138 WeakPolarHBondContact O-CD 3.04Å
137R60Low55.4Low214 Ų214138.7 Ų138.781%0.80874%0.739SS**  trans-56.2125.2168.4-100.8-179.1175.7167.4-1.7105H135 V139H135-R137 PolarHBondContact O-N 3.47Å; R137-V139 PolarHBondContact O-N 3.46Å
138P63.9Low56.3Low127 Ų127137.6 Ų137.683%0.82573%0.73SS**  trans-59.3108.5167.918.8-22.6000106.4Q136 L140Q136-P138 WeakPolarHBondContact O-CD 3.04Å; P138-L140 PolarHBondContact O-N 3.13Å
139V64.8Low57.4Low127 Ų127137.9 Ų137.977%0.7772%0.719SS**  trans-76.6109.71731780000105.2R137 S141R137-V139 PolarHBondContact O-N 3.46Å; V139-S141 PolarHBondContact O-N 2.8Å
140L73.1Confident58Low136 Ų136135.2 Ų135.271%0.71272%0.716SS**  trans-65.1100.5168.2-170.771.5000106.9P138 F142P138-L140 PolarHBondContact O-N 3.13Å; L140-F142 HydrophobicContact CD2-CE1 4.06Å; L140-F142 HydrophobicContact CD2-CE2 3.89Å; L140-F142 HydrophobicContact CD2-CZ 3.4Å; L140-F142 VanDerWaalsContact CD2-CZ 3.4Å; L140-F142 HydrophobicContact CG-CE1 4.47Å; L140-F142 HydrophobicContact CG-CE2 4.22Å; L140-F142 HydrophobicContact CG-CZ 4.04Å
141S58.8Low58.4Low90 Ų90133.5 Ų133.563%0.62970%0.702SS**  trans-88.4120174.5166.60000108.1V139V139-S141 PolarHBondContact O-N 2.8Å
142F65.2Low59.3Low127 Ų127132.6 Ų132.656%0.55770%0.696SS**  trans-87.3133.4166-59.6-83.5000108.2L140 M144 P146L140-F142 HydrophobicContact CD2-CE1 4.06Å; L140-F142 HydrophobicContact CD2-CE2 3.89Å; L140-F142 HydrophobicContact CD2-CZ 3.4Å; L140-F142 VanDerWaalsContact CD2-CZ 3.4Å; L140-F142 HydrophobicContact CG-CE1 4.47Å; L140-F142 HydrophobicContact CG-CE2 4.22Å; L140-F142 HydrophobicContact CG-CZ 4.04Å; F142-M144 WeakPolarHBondContact CB-O 3.41Å; F142-M144 PolarHBondContact O-N 2.95Å; F142-P146 HydrophobicContact CD2-CG 4.36Å
143H65.6Low59.9Low196 Ų196134 Ų13491%0.90770%0.702SS**SBendtrans-67.6-13.9174.2-73-70.3000112.9
144M64.4Low60.8Low131 Ų131132 Ų13265%0.64569%0.693SS**SBendtrans-136.7154.4172.8-83.5-156.378.900110.9F142 P146F142-M144 WeakPolarHBondContact CB-O 3.41Å; F142-M144 PolarHBondContact O-N 2.95Å; M144-P146 WeakPolarHBondContact O-CD 3.33Å
145D68.5Low61.4Low83 Ų83130.8 Ų130.844%0.44469%0.691SS.*  trans-64.5117.7174.9-177.2-14.4000110.7Y147 V148D145-Y147 PolarHBondContact O-N 3.22Å; D145-Y147 VanDerWaalsContact O-N 3.11Å; D145-Y147 WeakPolarHBondContact OD1-CD2 3.19Å; D145-Y147 PolarHBondContact OD1-N 2.82Å; D145-V148 HydrophobicContact CB-CB 4.24Å; D145-V148 HydrophobicContact CB-CG2 3.58Å; D145-V148 PolarHBondContact O-N 3.21Å; D145-V148 VanDerWaalsContact O-N 3.16Å; D145-V148 WeakPolarHBondContact OD2-CG2 3.3Å
146P62.7Low62.1Low71 Ų71129.2 Ų129.246%0.46169%0.688SS.*THydrogen-bonded Turntrans-65.6-12-177.426.2-33.2000114F142 M144F142-P146 HydrophobicContact CD2-CG 4.36Å; M144-P146 WeakPolarHBondContact O-CD 3.33Å
147Y63.8Low62.6Low208 Ų208125.1 Ų125.182%0.81668%0.677SS**THydrogen-bonded Turntrans-96.9-4178.7-57.2-75.2000113.7D145D145-Y147 PolarHBondContact O-N 3.22Å; D145-Y147 VanDerWaalsContact O-N 3.11Å; D145-Y147 WeakPolarHBondContact OD1-CD2 3.19Å; D145-Y147 PolarHBondContact OD1-N 2.82Å
148V64.9Low63.2Low96 Ų96118.5 Ų118.558%0.58266%0.658SS**THydrogen-bonded Turntrans-93.1-16.2179.9-177.50000111.8D145 T150D145-V148 HydrophobicContact CB-CB 4.24Å; D145-V148 HydrophobicContact CB-CG2 3.58Å; D145-V148 PolarHBondContact O-N 3.21Å; D145-V148 VanDerWaalsContact O-N 3.16Å; D145-V148 WeakPolarHBondContact OD2-CG2 3.3Å; V148-T150 PolarHBondContact O-N 2.65Å
149C55.2Low63.9Low80 Ų80117.1 Ų117.154%0.54165%0.646SS.*SBendtrans-75.3107.9167.2-60.70000108.6P151C149-P151 WeakPolarHBondContact O-CD 3.43Å; C149-P151 VanDerWaalsContact O-N 3.12Å
150T54.3Low64.7Low129 Ų129116.6 Ų116.679%0.79164%0.643SS**PPolyproline II helixtrans-52.9120.3155.839.50000106.5V148 S152V148-T150 PolarHBondContact O-N 2.65Å; T150-S152 PolarHBondContact O-N 2.7Å
151P53.3Low65Low91 Ų91113.7 Ų113.759%0.59163%0.631SS**PPolyproline II helixtrans-57.6119.4174.622.6-30.1000106.2C149 L155C149-P151 WeakPolarHBondContact O-CD 3.43Å; C149-P151 VanDerWaalsContact O-N 3.12Å; P151-L155 HydrophobicContact CB-CD2 4.2Å; P151-L155 HydrophobicContact CB-CG 4.49Å
152S58.8Low66Low87 Ų87114 Ų11461%0.60863%0.626SS**PPolyproline II helixtrans-49.2131.6163.7-179.90000106.4T150 E154T150-S152 PolarHBondContact O-N 2.7Å; S152-E154 PolarHBondContact O-N 3.46Å
153P59.5Low66.9Low126 Ų126109.7 Ų109.782%0.81862%0.618SS**SBendtrans-59.2-9.6-170.619.7-31.1000114.2L155P153-L155 PolarHBondContact O-N 2.96Å
154E62.8Low67.8Low133 Ų133104.1 Ų104.162%0.62160%0.597SS**  trans-91.673.5174-59.8-168-173.500110.9S152 L156 N158S152-E154 PolarHBondContact O-N 3.46Å; E154-L156 PolarHBondContact O-N 2.81Å; E154-L156 VanDerWaalsContact O-N 3.08Å; E154-N158 PolarHBondContact OE2-ND2 3.45Å
155L63.3Low68.6Low140 Ų140101.9 Ų101.973%0.73359%0.587SS**  trans-66.2-2.4178.2-86.7164.4000114.5P151 P153P151-L155 HydrophobicContact CB-CD2 4.2Å; P151-L155 HydrophobicContact CB-CG 4.49Å; P153-L155 PolarHBondContact O-N 2.96Å
156L63.8Low69.1Low137 Ų137104.2 Ų104.272%0.71760%0.595SS**SBendtrans-145.3138.1173.7-67.8171.4000108.8E154 N158E154-L156 PolarHBondContact O-N 2.81Å; E154-L156 VanDerWaalsContact O-N 3.08Å; L156-N158 PolarHBondContact O-N 2.89Å
157P67.3Low69.7Low99 Ų99103.1 Ų103.164%0.64360%0.597SS**  trans-55.9134.5171.422.1-29.6000108.6V159P157-V159 HydrophobicContact CB-CG2 3.98Å; P157-V159 HydrophobicContact CG-CG2 3.88Å; P157-V159 WeakPolarHBondContact O-CG2 3.4Å; P157-V159 PolarHBondContact O-N 3.35Å
158N73.1Confident70.4Confident75 Ų7598.9 Ų98.940%0.40159%0.588SS.*  trans-70.457.6177.6-85.4-54000111.1E154 L156 V160 V161 N162E154-N158 PolarHBondContact OE2-ND2 3.45Å; L156-N158 PolarHBondContact O-N 2.89Å; N158-V160 PolarHBondContact O-N 2.9Å; N158-V161 HydrophobicContact CB-CB 4.09Å; N158-V161 HydrophobicContact CB-CG2 4.16Å; N158-V161 PolarHBondContact O-N 3.44Å; N158-V161 VanDerWaalsContact O-N 3.1Å; N158-N162 WeakPolarHBondContact O-CB 3.32Å; N158-N162 PolarHBondContact O-N 2.81Å
159V79.6Confident70.8Confident97 Ų97102.3 Ų102.359%0.58859%0.592SS**Hα-helixtrans-58.3-35.6-173.8175.20000111.2P157 G163P157-V159 HydrophobicContact CB-CG2 3.98Å; P157-V159 HydrophobicContact CG-CG2 3.88Å; P157-V159 WeakPolarHBondContact O-CG2 3.4Å; P157-V159 PolarHBondContact O-N 3.35Å; V159-G163 PolarHBondContact O-N 2.85Å
160V80.6Confident71.2Confident116 Ų116101.9 Ų101.970%0.70359%0.59SS**Hα-helixtrans-68.3-47.9176.8-177.80000110.7N158 G163 V164N158-V160 PolarHBondContact O-N 2.9Å; V160-G163 PolarHBondContact O-N 3.26Å; V160-V164 HydrophobicContact CG1-CG2 4.4Å; V160-V164 WeakPolarHBondContact O-CB 3.28Å; V160-V164 WeakPolarHBondContact O-CG2 3.24Å; V160-V164 PolarHBondContact O-N 3.09Å
161V80.1Confident71.4Confident75 Ų75105 Ų10546%0.45559%0.593SS.*Hα-helixtrans-64.3-44.3178.4-175.70000110.3N158 V164 L165N158-V161 HydrophobicContact CB-CB 4.09Å; N158-V161 HydrophobicContact CB-CG2 4.16Å; N158-V161 PolarHBondContact O-N 3.44Å; N158-V161 VanDerWaalsContact O-N 3.1Å; V161-V164 PolarHBondContact O-N 2.95Å; V161-L165 HydrophobicContact CG1-CD1 3.95Å; V161-L165 HydrophobicContact CG1-CG 4.38Å; V161-L165 WeakPolarHBondContact O-CB 3.09Å; V161-L165 VanDerWaalsContact O-CG 3.26Å; V161-L165 WeakPolarHBondContact O-CG 3.02Å; V161-L165 PolarHBondContact O-N 3.36Å
162N79.5Confident71.7Confident96 Ų96105 Ų10551%0.51359%0.594SS.*Hα-helixtrans-63.2-43177.2-71.5-13.3000111.9N158 L165 Q166N158-N162 WeakPolarHBondContact O-CB 3.32Å; N158-N162 PolarHBondContact O-N 2.81Å; N162-L165 PolarHBondContact O-N 3.02Å; N162-Q166 VanDerWaalsContact O-CB 3.23Å; N162-Q166 WeakPolarHBondContact O-CB 3.32Å; N162-Q166 PolarHBondContact O-N 3.4Å
163G83Confident71.2Confident38 Ų38108.8 Ų108.839%0.39261%0.606SS.*Hα-helixtrans-66.7-38.4177.100000112.7V159 V160 Q166 G167V159-G163 PolarHBondContact O-N 2.85Å; V160-G163 PolarHBondContact O-N 3.26Å; G163-Q166 PolarHBondContact O-N 3.43Å; G163-G167 PolarHBondContact O-N 3.43Å
164V84.8Confident70.7Confident78 Ų78107.7 Ų107.747%0.47360%0.601SS.*Hα-helixtrans-67.8-45.1175.2170.70000110.6V160 V161 Q166 G167 L168V160-V164 HydrophobicContact CG1-CG2 4.4Å; V160-V164 WeakPolarHBondContact O-CB 3.28Å; V160-V164 WeakPolarHBondContact O-CG2 3.24Å; V160-V164 PolarHBondContact O-N 3.09Å; V161-V164 PolarHBondContact O-N 2.95Å; V164-Q166 VanDerWaalsContact C-N 3.29Å; V164-Q166 PolarHBondContact O-N 3.26Å; V164-G167 PolarHBondContact O-N 2.8Å; V164-L168 HydrophobicContact CG1-CD1 3.53Å; V164-L168 WeakPolarHBondContact O-CB 3.36Å; V164-L168 PolarHBondContact O-N 3.34Å
165L82.1Confident70.1Confident85 Ų85107.5 Ų107.545%0.44561%0.612SS.*Hα-helixtrans-61.5-39.3174.2-73.6171.7000111.4V161 N162 Y169V161-L165 HydrophobicContact CG1-CD1 3.95Å; V161-L165 HydrophobicContact CG1-CG 4.38Å; V161-L165 WeakPolarHBondContact O-CB 3.09Å; V161-L165 VanDerWaalsContact O-CG 3.26Å; V161-L165 WeakPolarHBondContact O-CG 3.02Å; V161-L165 PolarHBondContact O-N 3.36Å; N162-L165 PolarHBondContact O-N 3.02Å; L165-Y169 HydrophobicContact CD2-CD2 3.7Å; L165-Y169 HydrophobicContact CD2-CE2 3.68Å; L165-Y169 WeakPolarHBondContact O-CA 3.18Å; L165-Y169 VanDerWaalsContact O-CB 3.3Å; L165-Y169 WeakPolarHBondContact O-CB 3.31Å; L165-Y169 PolarHBondContact O-N 3.17Å
166Q78.9Confident69.1Low131 Ų131108.1 Ų108.161%0.61262%0.616SS**Hα-helixtrans-66-42.7175.9-172.1163.434.100111.8N162 G163 V164 S170N162-Q166 VanDerWaalsContact O-CB 3.23Å; N162-Q166 WeakPolarHBondContact O-CB 3.32Å; N162-Q166 PolarHBondContact O-N 3.4Å; G163-Q166 PolarHBondContact O-N 3.43Å; V164-Q166 VanDerWaalsContact C-N 3.29Å; V164-Q166 PolarHBondContact O-N 3.26Å; Q166-S170 VanDerWaalsContact CA-OG 3.29Å; Q166-S170 WeakPolarHBondContact CA-OG 3.38Å; Q166-S170 WeakPolarHBondContact CG-OG 3.25Å; Q166-S170 WeakPolarHBondContact O-CA 3.42Å; Q166-S170 WeakPolarHBondContact O-CB 3.49Å; Q166-S170 PolarHBondContact O-N 2.96Å; Q166-S170 PolarHBondContact O-OG 3.33Å
167G75.6Confident68.5Low48 Ų48110.7 Ų110.750%0.49562%0.621SS.*Hα-helixtrans-68-37.4177.200000114.2G163 V164G163-G167 PolarHBondContact O-N 3.43Å; V164-G167 PolarHBondContact O-N 2.8Å
168L78.2Confident67.2Low120 Ų120110.8 Ų110.863%0.62863%0.63SS**Hα-helixtrans-84.4-35-178.3-87.5145000113.6V164V164-L168 HydrophobicContact CG1-CD1 3.53Å; V164-L168 WeakPolarHBondContact O-CB 3.36Å; V164-L168 PolarHBondContact O-N 3.34Å
169Y73.8Confident66Low167 Ų167115.4 Ų115.466%0.65565%0.649SS**Hα-helixtrans-120.2-12.2-169.2-59.3-84.1000114.6L165 F171L165-Y169 HydrophobicContact CD2-CD2 3.7Å; L165-Y169 HydrophobicContact CD2-CE2 3.68Å; L165-Y169 WeakPolarHBondContact O-CA 3.18Å; L165-Y169 VanDerWaalsContact O-CB 3.3Å; L165-Y169 WeakPolarHBondContact O-CB 3.31Å; L165-Y169 PolarHBondContact O-N 3.17Å; Y169-F171 PolarHBondContact O-N 3.05Å
170S62.1Low64Low71 Ų71116.7 Ų116.750%0.49766%0.66SS.*THydrogen-bonded Turntrans-83.818.7-179.9-58.10000115.5Q166 S172Q166-S170 VanDerWaalsContact CA-OG 3.29Å; Q166-S170 WeakPolarHBondContact CA-OG 3.38Å; Q166-S170 WeakPolarHBondContact CG-OG 3.25Å; Q166-S170 WeakPolarHBondContact O-CA 3.42Å; Q166-S170 WeakPolarHBondContact O-CB 3.49Å; Q166-S170 PolarHBondContact O-N 2.96Å; Q166-S170 PolarHBondContact O-OG 3.33Å; S170-S172 PolarHBondContact O-N 3.04Å
171F59.7Low62.1Low196 Ų196120.9 Ų120.986%0.8667%0.669SS**THydrogen-bonded Turntrans-80.98.4172.1-87.3-76.5000115.1Y169Y169-F171 PolarHBondContact O-N 3.05Å
172S59.6Low60.7Low89 Ų89122.2 Ų122.262%0.62269%0.688SS**SBendtrans-148.6100.3167.259.70000111S170S170-S172 PolarHBondContact O-N 3.04Å
173I48.7Very low58.8Low167 Ų167122.2 Ų122.286%0.85670%0.7SS**  163.1128.6127-74.8150000107.4
174S48.1Very low56.7Low103 Ų103126.1 Ų126.172%0.7272%0.72SS**  trans-41.8157.5-179.5-82.60000116.2D176S174-D176 PolarHBondContact O-N 2.72Å
175P50.9Low54.7Low130 Ų130131.3 Ų131.384%0.84474%0.739SS**  trans-73.2105.5179.931.6-30.8000108.7
176D41.4Very low52.9Low152 Ų152133.3 Ų133.381%0.81376%0.757SS**  trans-103.8136.5166.8-150-6000110.8S174 A178S174-D176 PolarHBondContact O-N 2.72Å; D176-A178 PolarHBondContact O-N 2.94Å
177K50.6Low51.6Low192 Ų192131.1 Ų131.184%0.83576%0.762SS**  trans-53.1126.7-169.4-79.7167.3166.4171.50111.9
178A42.1Very low50.3Low100 Ų100134.9 Ų134.983%0.82678%0.778SS**  trans-111.796156.200000108.8D176D176-A178 PolarHBondContact O-N 2.94Å
179Q46.2Very low49.2Very low172 Ų172137 Ų13780%0.80479%0.788SS**  trans-53.9152.8163.5-70.3-158.1-79.600110.5K181Q179-K181 PolarHBondContact O-N 2.88Å
180P39.2Very low48.7Very low124 Ų124134.1 Ų134.181%0.80579%0.79SS**  trans-64.1109164.45.95.2000107.9A182P180-A182 PolarHBondContact O-N 3.25Å; P180-A182 VanDerWaalsContact O-N 3.12Å
181K40.2Very low48.3Very low205 Ų205137 Ų13789%0.89181%0.807SS**  trans-60.4114.1166.2-92.9-177.8173.21760107.6Q179 A183Q179-K181 PolarHBondContact O-N 2.88Å; K181-A183 PolarHBondContact O-N 3.43Å; K181-A183 VanDerWaalsContact O-N 3.17Å
182A50.3Low47.8Very low103 Ų103136.1 Ų136.185%0.85181%0.808SS**  trans-55115.9163.100000108.5P180P180-A182 PolarHBondContact O-N 3.25Å; P180-A182 VanDerWaalsContact O-N 3.12Å
183A38.7Very low47.9Very low95 Ų95141.3 Ų141.379%0.78584%0.839SS**  trans-98.6101.8172.900000109K181K181-A183 PolarHBondContact O-N 3.43Å; K181-A183 VanDerWaalsContact O-N 3.17Å
184C38.9Very low47.8Very low120 Ų120140 Ų14081%0.81184%0.839SS**  trans43.997.5146.5-60.60000118.6
185H43.3Very low47.8Very low188 Ų188141.9 Ų141.987%0.8785%0.845SS**PPolyproline II helixtrans-67129.6146.8-60.8-71.1000109.3
186P44.2Very low47.6Very low126 Ų126142.6 Ų142.682%0.81885%0.845SS**PPolyproline II helixtrans-75123.7161.325.3-20.3000108.5
187A51.9Low48Very low86 Ų86142.1 Ų142.171%0.71185%0.847SS**PPolyproline II helixtrans-63.1145.1177.200000111.4L189A187-L189 PolarHBondContact O-N 3.48Å
188P47.7Very low47.9Very low127 Ų127138.9 Ų138.983%0.82585%0.847SS**PPolyproline II helixtrans-71.7127.2169.4-7.924.2000109.8
189L56.6Low48.2Very low164 Ų164141.5 Ų141.586%0.85985%0.849SS**PPolyproline II helixtrans-66.2138.7171-69.1168.9000110.1A187A187-L189 PolarHBondContact O-N 3.48Å
190P63.1Low48.4Very low107 Ų107139.4 Ų139.470%0.69585%0.852SS**PPolyproline II helixtrans-73151.7174.829.9-32.9000111.3
191P52.4Low49.1Very low130 Ų130140.5 Ų140.584%0.84486%0.856SS**PPolyproline II helixtrans-70.6130.2170.930-31.5000109.3
192M50.7Low49.8Very low178 Ų178135.2 Ų135.288%0.87785%0.853SS**PPolyproline II helixtrans-80.5151171.2-75.4-145.9-53.800111
193P60.2Low49.8Very low198 Ų198138.1 Ų138.1100%1.28685%0.853SS**  trans-69.50-175.629.8-36.9000114.5

Retrieved 193 of 193 residues in 425.9 ms (Link to these results)

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