G4VFB6_SCHMA Loading...

Putative rna recognition motif containing protein

AlphaFold DB , UniProt , Accession G4VFB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 412 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
1M37.4Very low58.6Low247 Ų247116.8 Ų116.8100%1.21769%0.69SS**  0126.80-80166.7159.400107.6A3M1-A3 PolarHBondContact O-N 3.07Å
2A42.2Very low60.4Low107 Ų107115.3 Ų115.388%0.88467%0.67SS**PPolyproline II helixtrans-68.8122.7-167.400000112.3
3A52.9Low62.2Low86 Ų86114.8 Ų114.871%0.71166%0.656SS**PPolyproline II helixtrans-71.6137.3163.500000109M1 V5M1-A3 PolarHBondContact O-N 3.07Å; A3-V5 PolarHBondContact O-N 3.08Å
4P54Low63.8Low115 Ų115109.1 Ų109.175%0.74762%0.624SS**PPolyproline II helixtrans-68.6118173.728.6-31.2000108.6L6P4-L6 PolarHBondContact O-N 3.26Å
5V49.1Very low65.3Low128 Ų128105.7 Ų105.778%0.77661%0.614SS**  trans-62.6108.1167174.10000106.9A3 T7A3-V5 PolarHBondContact O-N 3.08Å; V5-T7 VanDerWaalsContact C-N 3.34Å; V5-T7 PolarHBondContact O-N 3.2Å
6L56.1Low66.9Low115 Ų115103.1 Ų103.160%0.60259%0.591SS**  trans-64.297.9168.9-127.282.4000107.1P4 A10P4-L6 PolarHBondContact O-N 3.26Å; L6-A10 HydrophobicContact CG-CB 4.31Å
7T65.3Low68.4Low89 Ų8997.9 Ų97.955%0.54656%0.562SS.*  trans-61.8141.8171.236.70000108.8V5 E9 A10V5-T7 VanDerWaalsContact C-N 3.34Å; V5-T7 PolarHBondContact O-N 3.2Å; T7-E9 PolarHBondContact O-N 3.37Å; T7-A10 WeakPolarHBondContact O-CB 3.31Å; T7-A10 PolarHBondContact O-N 3.4Å
8K67.5Low69.7Low164 Ų16492.5 Ų92.571%0.71353%0.531SS*.Hα-helixtrans-45-32.6179.3-172.9-178.4171-1790113.5A10 A11 E12K8-A10 PolarHBondContact O-N 2.84Å; K8-A11 WeakPolarHBondContact O-CB 3.33Å; K8-A11 PolarHBondContact O-N 3.39Å; K8-E12 PolarHBondContact O-N 3.34Å
9E71.9Confident70.9Confident151 Ų15191.2 Ų91.271%0.70652%0.519SS*.Hα-helixtrans-61-37.7176.7-158.3168.795.500113.7T7 E12 K13T7-E9 PolarHBondContact O-N 3.37Å; E9-E12 PolarHBondContact O-N 2.9Å; E9-K13 WeakPolarHBondContact O-CB 3.46Å; E9-K13 PolarHBondContact O-N 3Å
10A73.5Confident72Confident41 Ų4186.7 Ų86.734%0.33949%0.493SS..Hα-helixtrans-68.1-36.4175.300000111.7L6 T7 K8 K13 T14L6-A10 HydrophobicContact CG-CB 4.31Å; T7-A10 WeakPolarHBondContact O-CB 3.31Å; T7-A10 PolarHBondContact O-N 3.4Å; K8-A10 PolarHBondContact O-N 2.84Å; A10-K13 PolarHBondContact O-N 3.24Å; A10-T14 PolarHBondContact O-N 3.05Å
11A74.6Confident73Confident42 Ų4282.7 Ų82.735%0.34747%0.472SS..Hα-helixtrans-65.7-42.7174.800000111.5K8 K13 T14 A15K8-A11 WeakPolarHBondContact O-CB 3.33Å; K8-A11 PolarHBondContact O-N 3.39Å; A11-K13 VanDerWaalsContact C-N 3.31Å; A11-K13 PolarHBondContact O-N 2.97Å; A11-T14 WeakPolarHBondContact O-CG2 3.46Å; A11-T14 PolarHBondContact O-N 3.28Å; A11-A15 WeakPolarHBondContact O-CB 3.45Å; A11-A15 PolarHBondContact O-N 2.94Å
12E79.6Confident75.6Confident98 Ų9873.5 Ų73.546%0.45843%0.427SS..Hα-helixtrans-67.6-33.3175.2-71.2-18069.500112.2K8 E9 R16K8-E12 PolarHBondContact O-N 3.34Å; E9-E12 PolarHBondContact O-N 2.9Å; E12-R16 WeakPolarHBondContact O-CB 3.46Å; E12-R16 WeakPolarHBondContact O-CG 3.47Å; E12-R16 PolarHBondContact O-N 3Å; E12-R16 PolarHBondContact O-NE 3.42Å
13K84.1Confident77.9Confident110 Ų11068.5 Ų68.548%0.47839%0.385SS..Hα-helixtrans-68.7-44.5175.5-162174.3-175.5-176.60111.8E9 A10 A11 A15 R16 S17 E63E9-K13 WeakPolarHBondContact O-CB 3.46Å; E9-K13 PolarHBondContact O-N 3Å; A10-K13 PolarHBondContact O-N 3.24Å; A11-K13 VanDerWaalsContact C-N 3.31Å; A11-K13 PolarHBondContact O-N 2.97Å; K13-A15 PolarHBondContact O-N 3.42Å; K13-R16 CarbonylContact O-C 3.54Å; K13-R16 PolarHBondContact O-N 3.25Å; K13-S17 WeakPolarHBondContact O-CB 3.45Å; K13-S17 PolarHBondContact O-N 2.81Å; K13-S17 VanDerWaalsContact O-N 3.08Å; K13-S17 PolarHBondContact O-OG 3.44Å; K13-E63 WeakPolarHBondContact CD-OE2 3.32Å; K13-E63 WeakPolarHBondContact CE-OE2 3.26Å; K13-E63 WeakPolarHBondContact CG-OE2 3.48Å; K13-E63 IonicContact NZ-OE2 3.9Å
14T84.5Confident79.7Confident35 Ų3564.8 Ų64.822%0.21535%0.354CS..Hα-helixtrans-66.8-35.7175.9-169.10000112.2A10 A11 R16 S17 A93A10-T14 PolarHBondContact O-N 3.05Å; A11-T14 WeakPolarHBondContact O-CG2 3.46Å; A11-T14 PolarHBondContact O-N 3.28Å; T14-R16 PolarHBondContact O-N 3.22Å; T14-S17 PolarHBondContact O-N 2.95Å; T14-S17 VanDerWaalsContact O-O 3.08Å; T14-A93 HydrophobicContact CG2-CB 4.27Å; T14-A93 WeakPolarHBondContact OG1-CA 3.42Å; T14-A93 PolarHBondContact OG1-N 2.97Å
15A87.2Confident81.3Confident57 Ų5766.5 Ų66.547%0.47135%0.347SS..Hα-helixtrans-65.5-26.3174.800000113.3A11 K13 P67A11-A15 WeakPolarHBondContact O-CB 3.45Å; A11-A15 PolarHBondContact O-N 2.94Å; K13-A15 PolarHBondContact O-N 3.42Å; A15-P67 HydrophobicContact CB-CB 4.37Å; A15-P67 WeakPolarHBondContact O-CB 3.12Å
16R90.5Very high83.1Confident64 Ų6467.8 Ų67.824%0.24235%0.345CS..THydrogen-bonded Turntrans-90.9-3.5174.3-75.1-173.2-67.61570.8113.8E12 K13 T14 Y64 N65 P67E12-R16 WeakPolarHBondContact O-CB 3.46Å; E12-R16 WeakPolarHBondContact O-CG 3.47Å; E12-R16 PolarHBondContact O-N 3Å; E12-R16 PolarHBondContact O-NE 3.42Å; K13-R16 CarbonylContact O-C 3.54Å; K13-R16 PolarHBondContact O-N 3.25Å; T14-R16 PolarHBondContact O-N 3.22Å; R16-Y64 WeakPolarHBondContact CB-O 3.43Å; R16-Y64 PolarHBondContact O-N 2.92Å; R16-N65 VanDerWaalsContact CD-O 3.27Å; R16-N65 WeakPolarHBondContact CD-O 3.41Å; R16-P67 HydrophobicContact CG-CB 4Å; R16-P67 HydrophobicContact CG-CG 4.33Å
17S91.5Very high84.6Confident16 Ų1662.7 Ų62.711%0.11232%0.319CS..EExtended strand (participates in β ladder)trans-109.3148-176.7-61.60000111.3K13 T14 C62 A92K13-S17 WeakPolarHBondContact O-CB 3.45Å; K13-S17 PolarHBondContact O-N 2.81Å; K13-S17 VanDerWaalsContact O-N 3.08Å; K13-S17 PolarHBondContact O-OG 3.44Å; T14-S17 PolarHBondContact O-N 2.95Å; T14-S17 VanDerWaalsContact O-O 3.08Å; S17-C62 CarbonylContact C-O 3.47Å; S17-C62 VanDerWaalsContact CA-O 3.25Å; S17-C62 WeakPolarHBondContact CA-O 3.45Å; S17-A92 WeakPolarHBondContact O-CB 3.32Å; S17-A92 PolarHBondContact O-N 3.43Å
18I92.7Very high85.7Confident0 Ų061.1 Ų61.10%031%0.309CS..EExtended strand (participates in β ladder)trans-120.5143.3174.369.6165.5000109.5V20 F36 F61 C62 Y64 A70 A73 L74 I89I18-V20 HydrophobicContact CD1-CG2 4.09Å; I18-V20 HydrophobicContact CG1-CG2 4.13Å; I18-F36 HydrophobicContact CD1-CD1 3.85Å; I18-F36 HydrophobicContact CD1-CE1 3.79Å; I18-F61 VanDerWaalsContact O-CA 3.32Å; I18-F61 WeakPolarHBondContact O-CA 3.45Å; I18-C62 HydrophobicContact CD1-CB 4.1Å; I18-C62 HydrophobicContact CG1-CB 3.59Å; I18-C62 PolarHBondContact N-O 3Å; I18-C62 PolarHBondContact O-N 3.44Å; I18-Y64 HydrophobicContact CD1-CE2 3.7Å; I18-Y64 HydrophobicContact CG1-CE2 3.92Å; I18-Y64 HydrophobicContact CG2-CD2 4.24Å; I18-Y64 HydrophobicContact CG2-CE2 4.08Å; I18-A70 HydrophobicContact CG2-CB 3.73Å; I18-A73 HydrophobicContact CD1-CB 4.19Å; I18-L74 HydrophobicContact CB-CD1 3.51Å; I18-L74 HydrophobicContact CG2-CD1 3.17Å; I18-I89 HydrophobicContact CB-CG2 4.47Å; I18-I89 HydrophobicContact CD1-CG2 3.93Å
19F92.9Very high86.8Confident68 Ų6856.5 Ų56.530%0.29829%0.29SS..EExtended strand (participates in β ladder)trans-82.1135.3169.8169.4-95.1000109.3Y59 F61 I89 G90F19-Y59 HydrophobicContact CD2-CD2 4.49Å; F19-Y59 AromaticContact CE2-CD2 3.77Å; F19-Y59 HydrophobicContact CE2-CD2 3.77Å; F19-Y59 HydrophobicContact CE2-CG 4.01Å; F19-Y59 HydrophobicContact CZ-CG 4.49Å; F19-F61 HydrophobicContact CB-CE1 4.43Å; F19-F61 HydrophobicContact CD2-CE1 4.08Å; F19-F61 HydrophobicContact CD2-CZ 4.37Å; F19-I89 CarbonylContact O-C 3.48Å; F19-I89 VanDerWaalsContact O-CA 3.3Å; F19-I89 WeakPolarHBondContact O-CA 3.47Å; F19-G90 PolarHBondContact N-O 3.5Å; F19-G90 PolarHBondContact O-N 3.46Å
20V92.4Very high87.8Confident0 Ų056.6 Ų56.60%029%0.291CS..EExtended strand (participates in β ladder)trans-128.5116.5175.7-173.10000108.7I18 I23 F36 F45 Y59 G60 C62 L87 R88I18-V20 HydrophobicContact CD1-CG2 4.09Å; I18-V20 HydrophobicContact CG1-CG2 4.13Å; V20-I23 HydrophobicContact CB-CD1 4.12Å; V20-I23 HydrophobicContact CG1-CD1 3.8Å; V20-I23 HydrophobicContact CG1-CG1 3.88Å; V20-I23 WeakPolarHBondContact O-CD1 3.32Å; V20-F36 HydrophobicContact CB-CE2 4.42Å; V20-F36 HydrophobicContact CB-CZ 4.13Å; V20-F36 HydrophobicContact CG1-CE2 3.87Å; V20-F36 HydrophobicContact CG1-CZ 3.54Å; V20-F36 HydrophobicContact CG2-CE1 3.97Å; V20-F36 HydrophobicContact CG2-CE2 3.84Å; V20-F36 HydrophobicContact CG2-CZ 3.44Å; V20-F36 VanDerWaalsContact CG2-CZ 3.44Å; V20-F45 HydrophobicContact CB-CE2 4.22Å; V20-F45 HydrophobicContact CB-CZ 4.19Å; V20-F45 HydrophobicContact CG2-CE2 3.99Å; V20-F45 HydrophobicContact CG2-CZ 4.45Å; V20-Y59 CarbonylContact O-C 3.51Å; V20-Y59 WeakPolarHBondContact O-CA 3.42Å; V20-Y59 WeakPolarHBondContact O-CB 3.46Å; V20-G60 PolarHBondContact N-O 2.84Å; V20-G60 PolarHBondContact O-N 3.25Å; V20-C62 HydrophobicContact CG2-CB 4.33Å; V20-L87 HydrophobicContact CG1-CB 4.46Å; V20-L87 HydrophobicContact CG1-CD1 4.35Å; V20-R88 CarbonylContact C-O 3.42Å; V20-R88 VanDerWaalsContact CA-O 3.3Å; V20-R88 WeakPolarHBondContact CA-O 3.26Å
21G92.2Very high88.6Confident4 Ų459.7 Ų59.74%0.04130%0.296CS..EExtended strand (participates in β ladder)trans-119.4174.2-179.900000113.1I23 G58 R88G21-I23 PolarHBondContact O-N 3.26Å; G21-G58 CarbonylContact C-O 3.59Å; G21-R88 PolarHBondContact N-O 3.22Å; G21-R88 PolarHBondContact O-N 3.47Å
22N92.7Very high89.4Confident54 Ų5457.7 Ų57.729%0.28928%0.28SS..SBendtrans6029.5-175.6-159.238.2000113.9G58 R85 P86 R88N22-G58 PolarHBondContact N-O 3.35Å; N22-R85 PolarHBondContact OD1-NH2 2.82Å; N22-P86 WeakPolarHBondContact CB-O 3.3Å; N22-P86 PolarHBondContact ND2-O 3.47Å; N22-R88 HydrophobicContact CB-CG 4.26Å
23I91.5Very high90Very high1 Ų155.8 Ų55.81%0.00527%0.272CS..  trans-73.2130.8178.9-57.4171.7000109V20 G21 A27 L32 F45 L47 G58 L87V20-I23 HydrophobicContact CB-CD1 4.12Å; V20-I23 HydrophobicContact CG1-CD1 3.8Å; V20-I23 HydrophobicContact CG1-CG1 3.88Å; V20-I23 WeakPolarHBondContact O-CD1 3.32Å; G21-I23 PolarHBondContact O-N 3.26Å; I23-A27 HydrophobicContact CG2-CB 3.45Å; I23-A27 VanDerWaalsContact CG2-CB 3.45Å; I23-L32 HydrophobicContact CD1-CD1 4.17Å; I23-L32 HydrophobicContact CG2-CD1 3.88Å; I23-L32 HydrophobicContact CG2-CD2 4.28Å; I23-F45 HydrophobicContact CD1-CE1 4.29Å; I23-F45 HydrophobicContact CD1-CZ 3.76Å; I23-L47 HydrophobicContact CD1-CD1 3.61Å; I23-L47 HydrophobicContact CG2-CD1 4.19Å; I23-G58 PolarHBondContact N-O 3.46Å; I23-G58 WeakPolarHBondContact O-CA 3.44Å; I23-L87 HydrophobicContact CB-CD2 4.43Å; I23-L87 HydrophobicContact CG1-CD2 4.03Å
24P89.1Confident90.3Very high8 Ų857.7 Ų57.75%0.05228%0.283CS..  trans-64.5145.3174.217.9-20.6000111.7E26 A27 F82 N83P24-E26 PolarHBondContact O-N 3.01Å; P24-E26 VanDerWaalsContact O-N 3.12Å; P24-A27 HydrophobicContact CG-CB 4.12Å; P24-A27 WeakPolarHBondContact O-CB 3.42Å; P24-A27 PolarHBondContact O-N 2.82Å; P24-F82 HydrophobicContact CG-CD1 3.59Å; P24-F82 HydrophobicContact CG-CE1 4.12Å; P24-N83 HydrophobicContact CG-CB 3.98Å
25Y88.6Confident90.6Very high151 Ų15157.2 Ų57.259%0.59228%0.279SS*.THydrogen-bonded Turntrans-64.2-19.2-178-54.2-65.2000113.7A27 P56Y25-A27 VanDerWaalsContact C-N 3.35Å; Y25-P56 HydrophobicContact CD1-CB 4.43Å; Y25-P56 HydrophobicContact CD1-CG 3.99Å; Y25-P56 WeakPolarHBondContact CD1-O 3.44Å; Y25-P56 WeakPolarHBondContact CE1-O 3.27Å
26E87.4Confident90.8Very high156 Ų15654.5 Ų54.573%0.72926%0.256SS*.THydrogen-bonded Turntrans-86.4-3.9175.2-60.9178.998.500113.2P24P24-E26 PolarHBondContact O-N 3.01Å; P24-E26 VanDerWaalsContact O-N 3.12Å
27A86.8Confident90.9Very high7 Ų754.5 Ų54.56%0.05827%0.266CS..  trans-71.4129.9177.300000110.7I23 P24 Y25 L32 F82I23-A27 HydrophobicContact CG2-CB 3.45Å; I23-A27 VanDerWaalsContact CG2-CB 3.45Å; P24-A27 HydrophobicContact CG-CB 4.12Å; P24-A27 WeakPolarHBondContact O-CB 3.42Å; P24-A27 PolarHBondContact O-N 2.82Å; Y25-A27 VanDerWaalsContact C-N 3.35Å; A27-L32 HydrophobicContact CB-CD1 4.2Å; A27-L32 HydrophobicContact CB-CG 4.41Å; A27-F82 HydrophobicContact CB-CD1 4.03Å; A27-F82 HydrophobicContact CB-CE1 3.38Å; A27-F82 HydrophobicContact CB-CZ 4.24Å
28T89.3Confident90.7Very high56 Ų5661.7 Ų61.734%0.34430%0.295SS..  trans-93.9150.7169.758.50000110.3E30 K31 L32T28-E30 PolarHBondContact O-N 3.46Å; T28-K31 PolarHBondContact O-N 3.4Å; T28-K31 WeakPolarHBondContact OG1-CG 3.27Å; T28-L32 PolarHBondContact O-N 3.3Å
29E90.5Very high90.5Very high68 Ų6863 Ų6332%0.31831%0.306SS..Hα-helixtrans-57.2-38.1176.7-64.4178.4118.900110.9K31 L32 I33 F45 L47E29-K31 PolarHBondContact O-N 3.37Å; E29-L32 PolarHBondContact O-N 3.05Å; E29-I33 WeakPolarHBondContact O-CB 3.04Å; E29-I33 WeakPolarHBondContact O-CD1 3.11Å; E29-I33 WeakPolarHBondContact O-CG1 3.41Å; E29-I33 PolarHBondContact O-N 3.49Å; E29-F45 HydrophobicContact CB-CD1 4.4Å; E29-F45 HydrophobicContact CG-CD1 4.11Å; E29-L47 HydrophobicContact CG-CB 3.96Å; E29-L47 PolarHBondContact OE1-N 3.31Å
30E91.5Very high90.3Very high153 Ų15360.4 Ų60.472%0.71530%0.299SS*.Hα-helixtrans-57-46.1176.9-63.2174.298.200113.1T28 L32 I33 E34T28-E30 PolarHBondContact O-N 3.46Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-I33 PolarHBondContact O-N 3.02Å; E30-E34 PolarHBondContact O-N 3.36Å
31K91Very high90.3Very high105 Ų10564.2 Ų64.246%0.45732%0.324SS..Hα-helixtrans-69-36179.1-69.9174.3-175.7174.60111.8T28 E29 E34 L35 F82T28-K31 PolarHBondContact O-N 3.4Å; T28-K31 WeakPolarHBondContact OG1-CG 3.27Å; E29-K31 PolarHBondContact O-N 3.37Å; K31-E34 PolarHBondContact O-N 2.93Å; K31-L35 WeakPolarHBondContact O-CB 3.18Å; K31-L35 PolarHBondContact O-N 3.2Å; K31-L35 VanDerWaalsContact O-N 3.11Å; K31-F82 HydrophobicContact CB-CE2 3.96Å; K31-F82 HydrophobicContact CB-CZ 3.62Å; K31-F82 HydrophobicContact CD-CZ 4.07Å; K31-F82 HydrophobicContact CG-CZ 4.48Å
32L91.3Very high90.4Very high0 Ų065.4 Ų65.40%033%0.33CS..Hα-helixtrans-66.3-44.4175.3-67.1165.7000110I23 A27 T28 E29 E30 E34 L35 F36 F45 L47 F82 L87I23-L32 HydrophobicContact CD1-CD1 4.17Å; I23-L32 HydrophobicContact CG2-CD1 3.88Å; I23-L32 HydrophobicContact CG2-CD2 4.28Å; A27-L32 HydrophobicContact CB-CD1 4.2Å; A27-L32 HydrophobicContact CB-CG 4.41Å; T28-L32 PolarHBondContact O-N 3.3Å; E29-L32 PolarHBondContact O-N 3.05Å; E30-L32 VanDerWaalsContact C-N 3.34Å; L32-E34 VanDerWaalsContact C-N 3.35Å; L32-E34 PolarHBondContact O-N 3.12Å; L32-L35 WeakPolarHBondContact O-CB 3.29Å; L32-L35 PolarHBondContact O-N 3.24Å; L32-F36 HydrophobicContact CB-CD2 4.27Å; L32-F36 HydrophobicContact CB-CE2 4.37Å; L32-F36 HydrophobicContact CD2-CE2 4.25Å; L32-F36 WeakPolarHBondContact O-CB 3.32Å; L32-F36 WeakPolarHBondContact O-CD2 3.35Å; L32-F36 PolarHBondContact O-N 3.14Å; L32-F45 HydrophobicContact CB-CD1 4.49Å; L32-F45 HydrophobicContact CB-CD2 4.1Å; L32-F45 HydrophobicContact CB-CE1 4.47Å; L32-F45 HydrophobicContact CB-CE2 4.07Å; L32-F45 HydrophobicContact CB-CG 4.34Å; L32-F45 HydrophobicContact CB-CZ 4.27Å; L32-F45 HydrophobicContact CD1-CD1 4.17Å; L32-F45 HydrophobicContact CD1-CE1 3.58Å; L32-F45 HydrophobicContact CD1-CE2 4.33Å; L32-F45 HydrophobicContact CD1-CZ 3.69Å; L32-F45 HydrophobicContact CG-CZ 4.46Å; L32-L47 HydrophobicContact CD1-CD1 4.41Å; L32-F82 HydrophobicContact CD2-CD1 4.49Å; L32-L87 HydrophobicContact CD2-CD1 4.15Å
33I92.3Very high90.4Very high59 Ų5966.9 Ų66.930%0.30334%0.337SS..Hα-helixtrans-57.2-47.9175.4-69.1162.5000110.5E29 E30 L35 F36 S37 V42 F45E29-I33 WeakPolarHBondContact O-CB 3.04Å; E29-I33 WeakPolarHBondContact O-CD1 3.11Å; E29-I33 WeakPolarHBondContact O-CG1 3.41Å; E29-I33 PolarHBondContact O-N 3.49Å; E30-I33 PolarHBondContact O-N 3.02Å; I33-L35 VanDerWaalsContact C-N 3.3Å; I33-L35 PolarHBondContact O-N 2.92Å; I33-F36 PolarHBondContact O-N 3.25Å; I33-S37 WeakPolarHBondContact O-CB 3.05Å; I33-S37 PolarHBondContact O-N 3.3Å; I33-V42 HydrophobicContact CG1-CG1 4.37Å; I33-V42 HydrophobicContact CG2-CB 4.34Å; I33-V42 HydrophobicContact CG2-CG1 4.39Å; I33-F45 HydrophobicContact CD1-CB 4.01Å; I33-F45 HydrophobicContact CG1-CB 3.54Å
34E91.4Very high90.3Very high150 Ų15068.1 Ų68.170%0.70135%0.35SS*.Hα-helixtrans-58.1-42.5177.7-172179.886.300112.2E30 K31 L32 S37E30-E34 PolarHBondContact O-N 3.36Å; K31-E34 PolarHBondContact O-N 2.93Å; L32-E34 VanDerWaalsContact C-N 3.35Å; L32-E34 PolarHBondContact O-N 3.12Å; E34-S37 WeakPolarHBondContact O-CB 3.04Å; E34-S37 PolarHBondContact O-N 3.18Å
35L90.2Very high90.5Very high25 Ų2568.6 Ų68.613%0.13135%0.351CS..Hα-helixtrans-65.4-46.7177.4-176.663.8000112.4K31 L32 I33 S37 K38 I80 F82 L87K31-L35 WeakPolarHBondContact O-CB 3.18Å; K31-L35 PolarHBondContact O-N 3.2Å; K31-L35 VanDerWaalsContact O-N 3.11Å; L32-L35 WeakPolarHBondContact O-CB 3.29Å; L32-L35 PolarHBondContact O-N 3.24Å; I33-L35 VanDerWaalsContact C-N 3.3Å; I33-L35 PolarHBondContact O-N 2.92Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 2.95Å; L35-K38 HydrophobicContact CD1-CD 4.45Å; L35-K38 WeakPolarHBondContact O-CB 3.34Å; L35-K38 WeakPolarHBondContact O-CG 3.43Å; L35-K38 PolarHBondContact O-N 3.2Å; L35-I80 HydrophobicContact CD1-CD1 4.27Å; L35-I80 HydrophobicContact CD2-CD1 3.47Å; L35-I80 VanDerWaalsContact CD2-CD1 3.47Å; L35-I80 HydrophobicContact CD2-CG1 4.37Å; L35-I80 HydrophobicContact CG-CD1 3.75Å; L35-F82 HydrophobicContact CD2-CB 4.47Å; L35-F82 HydrophobicContact CD2-CD2 3.74Å; L35-F82 HydrophobicContact CD2-CE2 4.47Å; L35-F82 HydrophobicContact CD2-CG 4.45Å; L35-L87 HydrophobicContact CD2-CD1 3.83Å
36F91.2Very high90.6Very high0 Ų070.4 Ų70.40%036%0.357CS..Hα-helixtrans-73.5-21.7-179.7-77.3-64.9000113.1I18 V20 L32 I33 K38 A39 V42 F45 Y64 L77 I80 L87 I89I18-F36 HydrophobicContact CD1-CD1 3.85Å; I18-F36 HydrophobicContact CD1-CE1 3.79Å; V20-F36 HydrophobicContact CB-CE2 4.42Å; V20-F36 HydrophobicContact CB-CZ 4.13Å; V20-F36 HydrophobicContact CG1-CE2 3.87Å; V20-F36 HydrophobicContact CG1-CZ 3.54Å; V20-F36 HydrophobicContact CG2-CE1 3.97Å; V20-F36 HydrophobicContact CG2-CE2 3.84Å; V20-F36 HydrophobicContact CG2-CZ 3.44Å; V20-F36 VanDerWaalsContact CG2-CZ 3.44Å; L32-F36 HydrophobicContact CB-CD2 4.27Å; L32-F36 HydrophobicContact CB-CE2 4.37Å; L32-F36 HydrophobicContact CD2-CE2 4.25Å; L32-F36 WeakPolarHBondContact O-CB 3.32Å; L32-F36 WeakPolarHBondContact O-CD2 3.35Å; L32-F36 PolarHBondContact O-N 3.14Å; I33-F36 PolarHBondContact O-N 3.25Å; F36-K38 PolarHBondContact O-N 3.25Å; F36-A39 PolarHBondContact O-N 3.31Å; F36-V42 HydrophobicContact CB-CG2 3.88Å; F36-F45 HydrophobicContact CD2-CD2 4.09Å; F36-F45 AromaticContact CD2-CE2 3.9Å; F36-F45 HydrophobicContact CD2-CE2 3.9Å; F36-F45 HydrophobicContact CE2-CD2 4.44Å; F36-F45 AromaticContact CE2-CE2 3.78Å; F36-F45 HydrophobicContact CE2-CE2 3.78Å; F36-Y64 WeakPolarHBondContact CB-OH 3.25Å; F36-Y64 PolarHBondContact O-OH 3.4Å; F36-L77 HydrophobicContact CD1-CD1 3.49Å; F36-L77 VanDerWaalsContact CD1-CD1 3.49Å; F36-L77 HydrophobicContact CE1-CD1 3.91Å; F36-I80 HydrophobicContact CE1-CD1 4.32Å; F36-I80 HydrophobicContact CZ-CD1 4.32Å; F36-L87 HydrophobicContact CE2-CD1 4.48Å; F36-L87 HydrophobicContact CZ-CD1 4.27Å; F36-I89 HydrophobicContact CE1-CD1 3.64Å; F36-I89 HydrophobicContact CE1-CG1 4.24Å; F36-I89 HydrophobicContact CZ-CD1 4.18Å; F36-I89 HydrophobicContact CZ-CG1 4.41Å
37S91.5Very high90.8Very high63 Ų6363.3 Ų63.344%0.44132%0.324SS..Hα-helixtrans-64.3-22.5174.5-165.40000112.5I33 E34 L35 A39 G40I33-S37 WeakPolarHBondContact O-CB 3.05Å; I33-S37 PolarHBondContact O-N 3.3Å; E34-S37 WeakPolarHBondContact O-CB 3.04Å; E34-S37 PolarHBondContact O-N 3.18Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 2.95Å; S37-A39 PolarHBondContact O-N 2.88Å; S37-G40 WeakPolarHBondContact CA-O 3.47Å; S37-G40 PolarHBondContact O-N 3.34Å
38K88.9Confident91Very high167 Ų16764.5 Ų64.573%0.72633%0.33SS*.THydrogen-bonded Turntrans-60.1-28.9174-64.2-179.4-178.6178.50113.4L35 F36L35-K38 HydrophobicContact CD1-CD 4.45Å; L35-K38 WeakPolarHBondContact O-CB 3.34Å; L35-K38 WeakPolarHBondContact O-CG 3.43Å; L35-K38 PolarHBondContact O-N 3.2Å; F36-K38 PolarHBondContact O-N 3.25Å
39A87.6Confident91Very high27 Ų2767.4 Ų67.422%0.22334%0.336CS..THydrogen-bonded Turntrans-85.4-23.5175.800000112.9F36 S37 A73 L77F36-A39 PolarHBondContact O-N 3.31Å; S37-A39 PolarHBondContact O-N 2.88Å; A39-A73 HydrophobicContact CB-CB 3.69Å; A39-L77 HydrophobicContact CB-CD1 3.79Å; A39-L77 HydrophobicContact CB-CG 4.23Å
40G89.8Confident90.8Very high15 Ų1566.6 Ų66.616%0.15533%0.333CS..SBendtrans155.9177.9177.700000113S37 V42S37-G40 WeakPolarHBondContact CA-O 3.47Å; S37-G40 PolarHBondContact O-N 3.34Å; G40-V42 PolarHBondContact O-N 2.91Å; G40-V42 VanDerWaalsContact O-N 3.16Å
41P92Very high90.5Very high80 Ų8071.1 Ų71.152%0.51934%0.344SS..  trans-61.9114.7-176.324-35.8000112.8N65 I69P41-N65 PolarHBondContact O-N 2.76Å; P41-I69 HydrophobicContact CG-CD1 3.91Å
42V92.9Very high90.1Very high28 Ų2875.2 Ų75.217%0.1737%0.365CS..EExtended strand (participates in β ladder)trans-83.3126.5175.3178.50000109I33 F36 G40 E63 Y64I33-V42 HydrophobicContact CG1-CG1 4.37Å; I33-V42 HydrophobicContact CG2-CB 4.34Å; I33-V42 HydrophobicContact CG2-CG1 4.39Å; F36-V42 HydrophobicContact CB-CG2 3.88Å; G40-V42 PolarHBondContact O-N 2.91Å; G40-V42 VanDerWaalsContact O-N 3.16Å; V42-E63 CarbonylContact C-O 3.6Å; V42-Y64 HydrophobicContact CG2-CD1 4.12Å; V42-Y64 HydrophobicContact CG2-CE1 3.57Å
43I92.5Very high89.8Confident86 Ų8678.6 Ų78.644%0.44139%0.389SS..EExtended strand (participates in β ladder)trans-71.6-44172-67.4178.1000109.6E63 Y64 N65I43-E63 HydrophobicContact CB-CB 4.35Å; I43-E63 HydrophobicContact CB-CG 4.07Å; I43-E63 HydrophobicContact CD1-CG 4.09Å; I43-E63 HydrophobicContact CG2-CG 4.48Å; I43-E63 WeakPolarHBondContact CG2-OE1 3.13Å; I43-E63 PolarHBondContact N-O 3.04Å; I43-Y64 WeakPolarHBondContact CD1-O 3.43Å; I43-N65 HydrophobicContact CD1-CB 4.3Å; I43-N65 HydrophobicContact CG1-CB 4.23Å
44G90Very high89.4Confident26 Ų2678.4 Ų78.427%0.26840%0.401SS..EExtended strand (participates in β ladder)trans-174.5159.6179.800000111.9E63G44-E63 PolarHBondContact N-O 2.92Å; G44-E63 PolarHBondContact O-N 3.23Å
45F93.1Very high89Confident18 Ų1877.8 Ų77.88%0.07940%0.396CS..EExtended strand (participates in β ladder)trans-118.3136.2171.7-166.9-80000108.2V20 I23 E29 L32 I33 F36 L47 C62V20-F45 HydrophobicContact CB-CE2 4.22Å; V20-F45 HydrophobicContact CB-CZ 4.19Å; V20-F45 HydrophobicContact CG2-CE2 3.99Å; V20-F45 HydrophobicContact CG2-CZ 4.45Å; I23-F45 HydrophobicContact CD1-CE1 4.29Å; I23-F45 HydrophobicContact CD1-CZ 3.76Å; E29-F45 HydrophobicContact CB-CD1 4.4Å; E29-F45 HydrophobicContact CG-CD1 4.11Å; L32-F45 HydrophobicContact CB-CD1 4.49Å; L32-F45 HydrophobicContact CB-CD2 4.1Å; L32-F45 HydrophobicContact CB-CE1 4.47Å; L32-F45 HydrophobicContact CB-CE2 4.07Å; L32-F45 HydrophobicContact CB-CG 4.34Å; L32-F45 HydrophobicContact CB-CZ 4.27Å; L32-F45 HydrophobicContact CD1-CD1 4.17Å; L32-F45 HydrophobicContact CD1-CE1 3.58Å; L32-F45 HydrophobicContact CD1-CE2 4.33Å; L32-F45 HydrophobicContact CD1-CZ 3.69Å; L32-F45 HydrophobicContact CG-CZ 4.46Å; I33-F45 HydrophobicContact CD1-CB 4.01Å; I33-F45 HydrophobicContact CG1-CB 3.54Å; F36-F45 HydrophobicContact CD2-CD2 4.09Å; F36-F45 AromaticContact CD2-CE2 3.9Å; F36-F45 HydrophobicContact CD2-CE2 3.9Å; F36-F45 HydrophobicContact CE2-CD2 4.44Å; F36-F45 AromaticContact CE2-CE2 3.78Å; F36-F45 HydrophobicContact CE2-CE2 3.78Å; F45-L47 HydrophobicContact CE1-CB 4.23Å; F45-L47 HydrophobicContact CE1-CD1 3.9Å; F45-C62 HydrophobicContact CD2-CB 3.56Å; F45-C62 HydrophobicContact CE2-CB 3.81Å
46R91.5Very high88.8Confident189 Ų18977.8 Ų77.871%0.71340%0.397SS*.EExtended strand (participates in β ladder)trans-121.8107177-175.5-178.8-173.3-172.63.1109.4G60 F61R46-G60 CarbonylContact O-C 3.49Å; R46-G60 WeakPolarHBondContact O-CA 3.32Å; R46-F61 PolarHBondContact N-O 3.48Å; R46-F61 PolarHBondContact O-N 2.95Å
47L91Very high88.7Confident8 Ų883.1 Ų83.14%0.04242%0.421CS..EExtended strand (participates in β ladder)trans-78.9137.8172-16168.3000110.3I23 E29 L32 F45 Y49 P56I23-L47 HydrophobicContact CD1-CD1 3.61Å; I23-L47 HydrophobicContact CG2-CD1 4.19Å; E29-L47 HydrophobicContact CG-CB 3.96Å; E29-L47 PolarHBondContact OE1-N 3.31Å; L32-L47 HydrophobicContact CD1-CD1 4.41Å; F45-L47 HydrophobicContact CE1-CB 4.23Å; F45-L47 HydrophobicContact CE1-CD1 3.9Å; L47-Y49 HydrophobicContact CB-CE2 3.76Å; L47-Y49 HydrophobicContact CD2-CE1 4.1Å; L47-Y49 HydrophobicContact CD2-CE2 4.33Å; L47-Y49 WeakPolarHBondContact CD2-OH 3.38Å; L47-Y49 HydrophobicContact CG-CE2 4.3Å; L47-Y49 VanDerWaalsContact O-CD2 3.28Å; L47-Y49 WeakPolarHBondContact O-CD2 3.4Å; L47-Y49 WeakPolarHBondContact O-CE2 3.14Å; L47-P56 HydrophobicContact CD2-CB 3.71Å; L47-P56 HydrophobicContact CG-CB 4.36Å
48V90.3Very high88.6Confident31 Ų3180.6 Ų80.619%0.18840%0.404CS..EExtended strand (participates in β ladder)trans-90.7122.9177.1-179.20000109.2K57 Y59 F61V48-K57 HydrophobicContact CG1-CB 4.45Å; V48-K57 HydrophobicContact CG1-CD 4.44Å; V48-K57 WeakPolarHBondContact O-CB 3.33Å; V48-K57 PolarHBondContact O-N 3.42Å; V48-Y59 HydrophobicContact CB-CD2 4.01Å; V48-Y59 HydrophobicContact CB-CE1 4.44Å; V48-Y59 HydrophobicContact CB-CE2 3.64Å; V48-Y59 HydrophobicContact CG1-CE1 4.36Å; V48-Y59 HydrophobicContact CG1-CE2 3.88Å; V48-Y59 HydrophobicContact CG2-CD2 3.85Å; V48-Y59 HydrophobicContact CG2-CE2 3.49Å; V48-Y59 VanDerWaalsContact CG2-CE2 3.49Å; V48-Y59 PolarHBondContact N-O 2.78Å; V48-F61 HydrophobicContact CG2-CD2 4.16Å; V48-F61 HydrophobicContact CG2-CE2 3.96Å
49Y89.3Confident88.8Confident117 Ų11775.5 Ų75.546%0.45938%0.381SS..EExtended strand (participates in β ladder)trans-105.3142.9176.9-60.8-94.5000110L47 R51 K55 P56L47-Y49 HydrophobicContact CB-CE2 3.76Å; L47-Y49 HydrophobicContact CD2-CE1 4.1Å; L47-Y49 HydrophobicContact CD2-CE2 4.33Å; L47-Y49 WeakPolarHBondContact CD2-OH 3.38Å; L47-Y49 HydrophobicContact CG-CE2 4.3Å; L47-Y49 VanDerWaalsContact O-CD2 3.28Å; L47-Y49 WeakPolarHBondContact O-CD2 3.4Å; L47-Y49 WeakPolarHBondContact O-CE2 3.14Å; Y49-R51 PolarHBondContact O-N 2.86Å; Y49-K55 WeakPolarHBondContact CA-O 3.35Å; Y49-P56 HydrophobicContact CD1-CB 3.97Å; Y49-P56 HydrophobicContact CE1-CB 3.89Å; Y49-P56 HydrophobicContact CE1-CG 4.3Å
50D87.3Confident89Confident51 Ų5174.2 Ų74.227%0.27337%0.37SS..  trans-68124.9171-170.7-95.7000109.7E52 S53 G54 K55D50-E52 VanDerWaalsContact C-N 3.27Å; D50-E52 PolarHBondContact O-N 3.33Å; D50-E52 PolarHBondContact OD1-N 2.92Å; D50-S53 WeakPolarHBondContact OD1-CB 3.16Å; D50-S53 PolarHBondContact OD1-N 3.5Å; D50-G54 VanDerWaalsContact O-CA 3.22Å; D50-G54 WeakPolarHBondContact O-CA 3.05Å; D50-G54 PolarHBondContact O-N 3.45Å; D50-K55 WeakPolarHBondContact CB-O 3.33Å; D50-K55 PolarHBondContact N-O 2.84Å
51R84.3Confident89.2Confident249 Ų24977 Ų7794%0.9438%0.378SS*.THydrogen-bonded Turntrans-72.4-22.9-172.6-166.7177.7174.9178-1.5112.6Y49Y49-R51 PolarHBondContact O-N 2.86Å
52E83.1Confident89.2Confident191 Ų19173.2 Ų73.289%0.89335%0.353SS*.THydrogen-bonded Turntrans-88.6-44.1-179.3-63-176.184.300111D50D50-E52 VanDerWaalsContact C-N 3.27Å; D50-E52 PolarHBondContact O-N 3.33Å; D50-E52 PolarHBondContact OD1-N 2.92Å
53S85.4Confident89.2Confident71 Ų7173.7 Ų73.750%0.49735%0.354SS..THydrogen-bonded Turntrans-90.1-20.8-177.5-162.50000113.9D50 K55D50-S53 WeakPolarHBondContact OD1-CB 3.16Å; D50-S53 PolarHBondContact OD1-N 3.5Å; S53-K55 PolarHBondContact O-N 3.44Å; S53-K55 WeakPolarHBondContact OG-CD 2.69Å; S53-K55 WeakPolarHBondContact OG-CG 3.5Å
54G84.4Confident89.3Confident55 Ų5569.6 Ų69.657%0.56733%0.333SS*.  trans69.42.5-170.100000113.8D50D50-G54 VanDerWaalsContact O-CA 3.22Å; D50-G54 WeakPolarHBondContact O-CA 3.05Å; D50-G54 PolarHBondContact O-N 3.45Å
55K82.7Confident89.3Confident137 Ų13772.5 Ų72.560%0.59634%0.342SS*.  trans-84.2145.4-178.3-66.7-173.1-179.2-162.50110.8Y49 D50 S53 K57Y49-K55 WeakPolarHBondContact CA-O 3.35Å; D50-K55 WeakPolarHBondContact CB-O 3.33Å; D50-K55 PolarHBondContact N-O 2.84Å; S53-K55 PolarHBondContact O-N 3.44Å; S53-K55 WeakPolarHBondContact OG-CD 2.69Å; S53-K55 WeakPolarHBondContact OG-CG 3.5Å; K55-K57 PolarHBondContact O-N 3.32Å
56P86.1Confident89.1Confident24 Ų2475.3 Ų75.316%0.15636%0.358CS..EExtended strand (participates in β ladder)trans-61.2134.8173.817-21000109.8Y25 L47 Y49 G58Y25-P56 HydrophobicContact CD1-CB 4.43Å; Y25-P56 HydrophobicContact CD1-CG 3.99Å; Y25-P56 WeakPolarHBondContact CD1-O 3.44Å; Y25-P56 WeakPolarHBondContact CE1-O 3.27Å; L47-P56 HydrophobicContact CD2-CB 3.71Å; L47-P56 HydrophobicContact CG-CB 4.36Å; Y49-P56 HydrophobicContact CD1-CB 3.97Å; Y49-P56 HydrophobicContact CE1-CB 3.89Å; Y49-P56 HydrophobicContact CE1-CG 4.3Å; P56-G58 PolarHBondContact O-N 2.74Å
57K88.5Confident89.1Confident113 Ų11369.4 Ų69.449%0.49135%0.345SS..EExtended strand (participates in β ladder)trans-78.7-0.5-178-155.2165.2162.5178.10112.7V48 K55 Y59V48-K57 HydrophobicContact CG1-CB 4.45Å; V48-K57 HydrophobicContact CG1-CD 4.44Å; V48-K57 WeakPolarHBondContact O-CB 3.33Å; V48-K57 PolarHBondContact O-N 3.42Å; K55-K57 PolarHBondContact O-N 3.32Å; K57-Y59 HydrophobicContact CB-CD1 3.93Å; K57-Y59 HydrophobicContact CB-CE1 3.67Å; K57-Y59 HydrophobicContact CD-CD1 4.4Å; K57-Y59 HydrophobicContact CD-CE1 3.38Å; K57-Y59 HydrophobicContact CG-CD1 3.99Å; K57-Y59 HydrophobicContact CG-CE1 3.44Å; K57-Y59 VanDerWaalsContact CG-CE1 3.44Å
58G89.9Confident89.1Confident9 Ų972.2 Ų72.29%0.09337%0.369CS..EExtended strand (participates in β ladder)trans79.115.9179.700000114.2G21 N22 I23 P56G21-G58 CarbonylContact C-O 3.59Å; N22-G58 PolarHBondContact N-O 3.35Å; I23-G58 PolarHBondContact N-O 3.46Å; I23-G58 WeakPolarHBondContact O-CA 3.44Å; P56-G58 PolarHBondContact O-N 2.74Å
59Y92.8Very high89.1Confident60 Ų6072 Ų7224%0.23537%0.367CS..EExtended strand (participates in β ladder)trans-143.7162.517170.4-89.3000112.1F19 V20 V48 K57 F61F19-Y59 HydrophobicContact CD2-CD2 4.49Å; F19-Y59 AromaticContact CE2-CD2 3.77Å; F19-Y59 HydrophobicContact CE2-CD2 3.77Å; F19-Y59 HydrophobicContact CE2-CG 4.01Å; F19-Y59 HydrophobicContact CZ-CG 4.49Å; V20-Y59 CarbonylContact O-C 3.51Å; V20-Y59 WeakPolarHBondContact O-CA 3.42Å; V20-Y59 WeakPolarHBondContact O-CB 3.46Å; V48-Y59 HydrophobicContact CB-CD2 4.01Å; V48-Y59 HydrophobicContact CB-CE1 4.44Å; V48-Y59 HydrophobicContact CB-CE2 3.64Å; V48-Y59 HydrophobicContact CG1-CE1 4.36Å; V48-Y59 HydrophobicContact CG1-CE2 3.88Å; V48-Y59 HydrophobicContact CG2-CD2 3.85Å; V48-Y59 HydrophobicContact CG2-CE2 3.49Å; V48-Y59 VanDerWaalsContact CG2-CE2 3.49Å; V48-Y59 PolarHBondContact N-O 2.78Å; K57-Y59 HydrophobicContact CB-CD1 3.93Å; K57-Y59 HydrophobicContact CB-CE1 3.67Å; K57-Y59 HydrophobicContact CD-CD1 4.4Å; K57-Y59 HydrophobicContact CD-CE1 3.38Å; K57-Y59 HydrophobicContact CG-CD1 3.99Å; K57-Y59 HydrophobicContact CG-CE1 3.44Å; K57-Y59 VanDerWaalsContact CG-CE1 3.44Å; Y59-F61 HydrophobicContact CD2-CE2 4.47Å; Y59-F61 HydrophobicContact CE2-CE2 4.29Å
60G92.7Very high89.2Confident0 Ų066.6 Ų66.60%035%0.346CS..EExtended strand (participates in β ladder)trans-160.7178.4-178.900000112.4V20 R46V20-G60 PolarHBondContact N-O 2.84Å; V20-G60 PolarHBondContact O-N 3.25Å; R46-G60 CarbonylContact O-C 3.49Å; R46-G60 WeakPolarHBondContact O-CA 3.32Å
61F93.3Very high89.3Confident74 Ų7467 Ų6733%0.32536%0.356SS..EExtended strand (participates in β ladder)trans-123.1129.8177.8-61-85.7000109.5I18 F19 R46 V48 Y59 A92I18-F61 VanDerWaalsContact O-CA 3.32Å; I18-F61 WeakPolarHBondContact O-CA 3.45Å; F19-F61 HydrophobicContact CB-CE1 4.43Å; F19-F61 HydrophobicContact CD2-CE1 4.08Å; F19-F61 HydrophobicContact CD2-CZ 4.37Å; R46-F61 PolarHBondContact N-O 3.48Å; R46-F61 PolarHBondContact O-N 2.95Å; V48-F61 HydrophobicContact CG2-CD2 4.16Å; V48-F61 HydrophobicContact CG2-CE2 3.96Å; Y59-F61 HydrophobicContact CD2-CE2 4.47Å; Y59-F61 HydrophobicContact CE2-CE2 4.29Å; F61-A92 HydrophobicContact CD1-CB 4.04Å; F61-A92 HydrophobicContact CE1-CB 4.42Å
62C93.1Very high89.6Confident0 Ų057.7 Ų57.70%033%0.329CS..EExtended strand (participates in β ladder)trans-108.1124.5176.1-179.80000109S17 I18 V20 F45S17-C62 CarbonylContact C-O 3.47Å; S17-C62 VanDerWaalsContact CA-O 3.25Å; S17-C62 WeakPolarHBondContact CA-O 3.45Å; I18-C62 HydrophobicContact CD1-CB 4.1Å; I18-C62 HydrophobicContact CG1-CB 3.59Å; I18-C62 PolarHBondContact N-O 3Å; I18-C62 PolarHBondContact O-N 3.44Å; V20-C62 HydrophobicContact CG2-CB 4.33Å; F45-C62 HydrophobicContact CD2-CB 3.56Å; F45-C62 HydrophobicContact CE2-CB 3.81Å
63E92.9Very high90Very high39 Ų3948.6 Ų48.618%0.18229%0.287CS..EExtended strand (participates in β ladder)trans-103130.3-178.7-177168.2100.100110.6K13 V42 I43 G44K13-E63 WeakPolarHBondContact CD-OE2 3.32Å; K13-E63 WeakPolarHBondContact CE-OE2 3.26Å; K13-E63 WeakPolarHBondContact CG-OE2 3.48Å; K13-E63 IonicContact NZ-OE2 3.9Å; V42-E63 CarbonylContact C-O 3.6Å; I43-E63 HydrophobicContact CB-CB 4.35Å; I43-E63 HydrophobicContact CB-CG 4.07Å; I43-E63 HydrophobicContact CD1-CG 4.09Å; I43-E63 HydrophobicContact CG2-CG 4.48Å; I43-E63 WeakPolarHBondContact CG2-OE1 3.13Å; I43-E63 PolarHBondContact N-O 3.04Å; G44-E63 PolarHBondContact N-O 2.92Å; G44-E63 PolarHBondContact O-N 3.23Å
64Y94.1Very high90.2Very high0 Ų047.1 Ų47.10%027%0.273CS..EExtended strand (participates in β ladder)trans-109.4157.3177.5-71.7-79.6000112R16 I18 F36 V42 I43 N66 I69 A70 A73R16-Y64 WeakPolarHBondContact CB-O 3.43Å; R16-Y64 PolarHBondContact O-N 2.92Å; I18-Y64 HydrophobicContact CD1-CE2 3.7Å; I18-Y64 HydrophobicContact CG1-CE2 3.92Å; I18-Y64 HydrophobicContact CG2-CD2 4.24Å; I18-Y64 HydrophobicContact CG2-CE2 4.08Å; F36-Y64 WeakPolarHBondContact CB-OH 3.25Å; F36-Y64 PolarHBondContact O-OH 3.4Å; V42-Y64 HydrophobicContact CG2-CD1 4.12Å; V42-Y64 HydrophobicContact CG2-CE1 3.57Å; I43-Y64 WeakPolarHBondContact CD1-O 3.43Å; Y64-N66 VanDerWaalsContact C-N 3.28Å; Y64-N66 PolarHBondContact O-N 2.84Å; Y64-I69 HydrophobicContact CD1-CB 4.24Å; Y64-I69 HydrophobicContact CD1-CG2 3.33Å; Y64-I69 HydrophobicContact CE1-CG2 3.74Å; Y64-I69 HydrophobicContact CG-CB 4.32Å; Y64-I69 HydrophobicContact CG-CG2 3.84Å; Y64-A70 HydrophobicContact CD2-CB 3.81Å; Y64-A70 HydrophobicContact CG-CB 4.42Å; Y64-A73 HydrophobicContact CE2-CB 3.69Å; Y64-A73 WeakPolarHBondContact OH-CB 3.49Å
65N90.3Very high90.4Very high86 Ų8654.4 Ų54.446%0.4628%0.283SS..SBendtrans-64.6-33.8177.7-167.544.1000113.2R16 P41 I43R16-N65 VanDerWaalsContact CD-O 3.27Å; R16-N65 WeakPolarHBondContact CD-O 3.41Å; P41-N65 PolarHBondContact O-N 2.76Å; I43-N65 HydrophobicContact CD1-CB 4.3Å; I43-N65 HydrophobicContact CG1-CB 4.23Å
66N89.1Confident90.6Very high77 Ų7753.4 Ų53.441%0.41228%0.284SS..SBendtrans-127.2142.6-177.4-64.3-61.2000111.5Y64 A68 I69 A70Y64-N66 VanDerWaalsContact C-N 3.28Å; Y64-N66 PolarHBondContact O-N 2.84Å; N66-A68 PolarHBondContact O-N 2.83Å; N66-I69 HydrophobicContact CB-CD1 3.83Å; N66-I69 HydrophobicContact CB-CG1 3.99Å; N66-I69 WeakPolarHBondContact O-CB 3.48Å; N66-I69 PolarHBondContact O-N 2.72Å; N66-A70 PolarHBondContact O-N 3.3Å
67P90.2Very high90.7Very high66 Ų6653 Ų5343%0.42928%0.281SS..Hα-helixtrans-66.5-28.2178.427.1-33.9000111.6A15 R16 I69 A70 A71A15-P67 HydrophobicContact CB-CB 4.37Å; A15-P67 WeakPolarHBondContact O-CB 3.12Å; R16-P67 HydrophobicContact CG-CB 4Å; R16-P67 HydrophobicContact CG-CG 4.33Å; P67-I69 VanDerWaalsContact C-N 3.31Å; P67-I69 PolarHBondContact O-N 3.47Å; P67-A70 PolarHBondContact O-N 3.43Å; P67-A71 WeakPolarHBondContact O-CB 3.48Å; P67-A71 PolarHBondContact O-N 3.43Å
68A90.5Very high90.4Very high67 Ų6752.2 Ų52.255%0.55428%0.279SS*.Hα-helixtrans-63.5-34.8172.900000112.9N66 S72N66-A68 PolarHBondContact O-N 2.83Å; A68-S72 WeakPolarHBondContact O-CB 3.38Å; A68-S72 PolarHBondContact O-N 3.01Å; A68-S72 PolarHBondContact O-OG 3.13Å
69I91.6Very high90Very high27 Ų2757.4 Ų57.414%0.13831%0.305CS..Hα-helixtrans-71.1-44.5175.5-60.7165.8000109.2P41 Y64 N66 P67 A71 S72 A73P41-I69 HydrophobicContact CG-CD1 3.91Å; Y64-I69 HydrophobicContact CD1-CB 4.24Å; Y64-I69 HydrophobicContact CD1-CG2 3.33Å; Y64-I69 HydrophobicContact CE1-CG2 3.74Å; Y64-I69 HydrophobicContact CG-CB 4.32Å; Y64-I69 HydrophobicContact CG-CG2 3.84Å; N66-I69 HydrophobicContact CB-CD1 3.83Å; N66-I69 HydrophobicContact CB-CG1 3.99Å; N66-I69 WeakPolarHBondContact O-CB 3.48Å; N66-I69 PolarHBondContact O-N 2.72Å; P67-I69 VanDerWaalsContact C-N 3.31Å; P67-I69 PolarHBondContact O-N 3.47Å; I69-A71 VanDerWaalsContact C-N 3.33Å; I69-A71 PolarHBondContact O-N 2.91Å; I69-S72 CarbonylContact O-C 3.59Å; I69-S72 WeakPolarHBondContact O-CB 3.1Å; I69-S72 PolarHBondContact O-N 3.36Å; I69-S72 VanDerWaalsContact O-N 3.11Å; I69-A73 WeakPolarHBondContact O-CB 3.42Å; I69-A73 PolarHBondContact O-N 2.99Å
70A90.9Very high89.7Confident3 Ų356 Ų563%0.02530%0.301CS..Hα-helixtrans-56.8-45.9175.400000111.9I18 Y64 N66 P67 S72 A73 L74I18-A70 HydrophobicContact CG2-CB 3.73Å; Y64-A70 HydrophobicContact CD2-CB 3.81Å; Y64-A70 HydrophobicContact CG-CB 4.42Å; N66-A70 PolarHBondContact O-N 3.3Å; P67-A70 PolarHBondContact O-N 3.43Å; A70-S72 PolarHBondContact O-N 3.18Å; A70-A73 WeakPolarHBondContact O-CB 3.32Å; A70-A73 PolarHBondContact O-N 2.93Å; A70-L74 PolarHBondContact O-N 3.36Å
71A89.5Confident89.5Confident59 Ų5962.7 Ų62.749%0.48833%0.332SS..Hα-helixtrans-64.1-37.8175.200000112.9P67 I69 L74 R75P67-A71 WeakPolarHBondContact O-CB 3.48Å; P67-A71 PolarHBondContact O-N 3.43Å; I69-A71 VanDerWaalsContact C-N 3.33Å; I69-A71 PolarHBondContact O-N 2.91Å; A71-L74 WeakPolarHBondContact O-CB 3.37Å; A71-L74 PolarHBondContact O-N 2.72Å; A71-R75 PolarHBondContact O-N 3.42Å
72S90.2Very high89.2Confident53 Ų5360.1 Ų60.137%0.37132%0.321SS..Hα-helixtrans-66.9-41.9175.4-60.10000111.6A68 I69 A70 L74 R75 N76A68-S72 WeakPolarHBondContact O-CB 3.38Å; A68-S72 PolarHBondContact O-N 3.01Å; A68-S72 PolarHBondContact O-OG 3.13Å; I69-S72 CarbonylContact O-C 3.59Å; I69-S72 WeakPolarHBondContact O-CB 3.1Å; I69-S72 PolarHBondContact O-N 3.36Å; I69-S72 VanDerWaalsContact O-N 3.11Å; A70-S72 PolarHBondContact O-N 3.18Å; S72-L74 VanDerWaalsContact C-N 3.33Å; S72-L74 PolarHBondContact O-N 3.08Å; S72-R75 PolarHBondContact O-N 3.22Å; S72-R75 VanDerWaalsContact O-N 3.11Å; S72-N76 VanDerWaalsContact O-CB 3.32Å; S72-N76 WeakPolarHBondContact O-CB 3.3Å; S72-N76 VanDerWaalsContact O-CG 3.31Å; S72-N76 PolarHBondContact O-N 3.3Å; S72-N76 PolarHBondContact O-ND2 3.5Å
73A91.5Very high88.9Confident0 Ų064.7 Ų64.70%035%0.345CS..Hα-helixtrans-60-44.2173.100000110.8I18 A39 Y64 I69 A70 R75 N76 L77I18-A73 HydrophobicContact CD1-CB 4.19Å; A39-A73 HydrophobicContact CB-CB 3.69Å; Y64-A73 HydrophobicContact CE2-CB 3.69Å; Y64-A73 WeakPolarHBondContact OH-CB 3.49Å; I69-A73 WeakPolarHBondContact O-CB 3.42Å; I69-A73 PolarHBondContact O-N 2.99Å; A70-A73 WeakPolarHBondContact O-CB 3.32Å; A70-A73 PolarHBondContact O-N 2.93Å; A73-R75 PolarHBondContact O-N 3.23Å; A73-N76 PolarHBondContact O-N 2.96Å; A73-L77 HydrophobicContact CB-CD1 4.09Å; A73-L77 VanDerWaalsContact O-CB 3.23Å; A73-L77 WeakPolarHBondContact O-CB 3.35Å; A73-L77 PolarHBondContact O-N 3.46Å
74L90Very high88.5Confident40 Ų4065.9 Ų65.921%0.20937%0.368CS..Hα-helixtrans-58.3-27.4174-113.673.3000114.1I18 A70 A71 S72 Q78 I89 P91I18-L74 HydrophobicContact CB-CD1 3.51Å; I18-L74 HydrophobicContact CG2-CD1 3.17Å; A70-L74 PolarHBondContact O-N 3.36Å; A71-L74 WeakPolarHBondContact O-CB 3.37Å; A71-L74 PolarHBondContact O-N 2.72Å; S72-L74 VanDerWaalsContact C-N 3.33Å; S72-L74 PolarHBondContact O-N 3.08Å; L74-Q78 WeakPolarHBondContact O-CG 3.39Å; L74-Q78 PolarHBondContact O-NE2 3.26Å; L74-I89 HydrophobicContact CD1-CG2 3.77Å; L74-I89 HydrophobicContact CG-CG2 4.18Å; L74-P91 HydrophobicContact CD2-CB 4.1Å
75R88.1Confident88.2Confident208 Ų20869.7 Ų69.779%0.78538%0.382SS*.Hα-helixtrans-92.3-42.5179.5-172.8-179.7-63.5-157.3-0.8111.9A71 S72 A73A71-R75 PolarHBondContact O-N 3.42Å; S72-R75 PolarHBondContact O-N 3.22Å; S72-R75 VanDerWaalsContact O-N 3.11Å; A73-R75 PolarHBondContact O-N 3.23Å
76N87.8Confident88.1Confident116 Ų11668.1 Ų68.162%0.6238%0.377SS*.Hα-helixtrans-88-25.3-169.8-64.8-27.7000113.3S72 A73S72-N76 VanDerWaalsContact O-CB 3.32Å; S72-N76 WeakPolarHBondContact O-CB 3.3Å; S72-N76 VanDerWaalsContact O-CG 3.31Å; S72-N76 PolarHBondContact O-N 3.3Å; S72-N76 PolarHBondContact O-ND2 3.5Å; A73-N76 PolarHBondContact O-N 2.96Å
77L86.7Confident88.3Confident16 Ų1664.5 Ų64.58%0.08436%0.357CS..SBendtrans-1029.8-175.9-60.7-179.2000113.1F36 A39 A73 N79 I80 I89F36-L77 HydrophobicContact CD1-CD1 3.49Å; F36-L77 VanDerWaalsContact CD1-CD1 3.49Å; F36-L77 HydrophobicContact CE1-CD1 3.91Å; A39-L77 HydrophobicContact CB-CD1 3.79Å; A39-L77 HydrophobicContact CB-CG 4.23Å; A73-L77 HydrophobicContact CB-CD1 4.09Å; A73-L77 VanDerWaalsContact O-CB 3.23Å; A73-L77 WeakPolarHBondContact O-CB 3.35Å; A73-L77 PolarHBondContact O-N 3.46Å; L77-N79 PolarHBondContact O-N 3.48Å; L77-I80 HydrophobicContact CB-CD1 4.15Å; L77-I80 HydrophobicContact CB-CG2 4.28Å; L77-I80 HydrophobicContact CD2-CG2 4.23Å; L77-I80 WeakPolarHBondContact O-CG1 3.23Å; L77-I80 WeakPolarHBondContact O-CG2 3.45Å; L77-I80 PolarHBondContact O-N 3.4Å; L77-I89 HydrophobicContact CB-CD1 3.38Å; L77-I89 WeakPolarHBondContact O-CD1 3.05Å
78Q83.8Confident88.3Confident97 Ų9770.1 Ų70.145%0.45337%0.37SS..THydrogen-bonded Turntrans-58.5131.7176.6-71.4-65.2-21.200110.7L74 I80 I89L74-Q78 WeakPolarHBondContact O-CG 3.39Å; L74-Q78 PolarHBondContact O-NE2 3.26Å; Q78-I80 VanDerWaalsContact C-N 3.32Å; Q78-I80 PolarHBondContact O-N 3.31Å; Q78-I89 PolarHBondContact NE2-O 3.37Å; Q78-I89 PolarHBondContact OE1-O 3.17Å
79N80.8Confident88.3Confident118 Ų11867.5 Ų67.563%0.63135%0.347SS*.THydrogen-bonded Turntrans61.732176.3-153.789.4000114.7L77L77-N79 PolarHBondContact O-N 3.48Å
80I86.5Confident88.3Confident31 Ų3167 Ų6716%0.15935%0.347CS..  trans-69.8137.7169.459.6178.6000110.7L35 F36 L77 Q78 P86 L87 I89L35-I80 HydrophobicContact CD1-CD1 4.27Å; L35-I80 HydrophobicContact CD2-CD1 3.47Å; L35-I80 VanDerWaalsContact CD2-CD1 3.47Å; L35-I80 HydrophobicContact CD2-CG1 4.37Å; L35-I80 HydrophobicContact CG-CD1 3.75Å; F36-I80 HydrophobicContact CE1-CD1 4.32Å; F36-I80 HydrophobicContact CZ-CD1 4.32Å; L77-I80 HydrophobicContact CB-CD1 4.15Å; L77-I80 HydrophobicContact CB-CG2 4.28Å; L77-I80 HydrophobicContact CD2-CG2 4.23Å; L77-I80 WeakPolarHBondContact O-CG1 3.23Å; L77-I80 WeakPolarHBondContact O-CG2 3.45Å; L77-I80 PolarHBondContact O-N 3.4Å; Q78-I80 VanDerWaalsContact C-N 3.32Å; Q78-I80 PolarHBondContact O-N 3.31Å; I80-P86 CarbonylContact O-C 3.58Å; I80-L87 HydrophobicContact CD1-CD1 3.99Å; I80-L87 HydrophobicContact CG1-CB 3.97Å; I80-L87 HydrophobicContact CG1-CD1 4.01Å; I80-L87 HydrophobicContact CG1-CG 4.27Å; I80-L87 PolarHBondContact O-N 3.46Å; I80-I89 HydrophobicContact CD1-CD1 4.26Å; I80-I89 HydrophobicContact CG1-CD1 4.43Å
81E87.8Confident88.1Confident139 Ų13970.7 Ų70.765%0.6537%0.371SS*.EExtended strand (participates in β ladder)trans-91.7135.1176.6-64.5-179.89300110.9R85E81-R85 WeakPolarHBondContact CA-O 3.47Å
82F87.8Confident87.8Confident21 Ų2168.8 Ų68.89%0.09236%0.356CS..EExtended strand (participates in β ladder)trans-131.8121.6175.8-170.5-94000109.4P24 A27 K31 L32 L35 G84 R85 L87P24-F82 HydrophobicContact CG-CD1 3.59Å; P24-F82 HydrophobicContact CG-CE1 4.12Å; A27-F82 HydrophobicContact CB-CD1 4.03Å; A27-F82 HydrophobicContact CB-CE1 3.38Å; A27-F82 HydrophobicContact CB-CZ 4.24Å; K31-F82 HydrophobicContact CB-CE2 3.96Å; K31-F82 HydrophobicContact CB-CZ 3.62Å; K31-F82 HydrophobicContact CD-CZ 4.07Å; K31-F82 HydrophobicContact CG-CZ 4.48Å; L32-F82 HydrophobicContact CD2-CD1 4.49Å; L35-F82 HydrophobicContact CD2-CB 4.47Å; L35-F82 HydrophobicContact CD2-CD2 3.74Å; L35-F82 HydrophobicContact CD2-CE2 4.47Å; L35-F82 HydrophobicContact CD2-CG 4.45Å; F82-G84 PolarHBondContact O-N 3.18Å; F82-R85 PolarHBondContact N-O 3.3Å; F82-R85 PolarHBondContact O-N 3.05Å; F82-L87 HydrophobicContact CB-CD1 3.75Å; F82-L87 HydrophobicContact CB-CD2 3.91Å; F82-L87 HydrophobicContact CB-CG 3.75Å; F82-L87 HydrophobicContact CG-CD1 4.39Å
83N86.1Confident86.9Confident96 Ų9668 Ų6851%0.51335%0.352SS..THydrogen-bonded Turntrans47.540.8-171-71.137.1000113.5P24 R85P24-N83 HydrophobicContact CG-CB 3.98Å; N83-R85 VanDerWaalsContact C-N 3.32Å; N83-R85 PolarHBondContact O-N 3.21Å
84G85.4Confident85.2Confident63 Ų6370 Ų7065%0.64937%0.373SS*.THydrogen-bonded Turntrans75.913.2179.300000115.2F82F82-G84 PolarHBondContact O-N 3.18Å
85R86.5Confident83.4Confident80 Ų8077 Ų7730%0.30241%0.405SS..EExtended strand (participates in β ladder)trans-120.3131.8173.4-66.7177.566-178.7-2.6110.4N22 E81 F82 N83 L87N22-R85 PolarHBondContact OD1-NH2 2.82Å; E81-R85 WeakPolarHBondContact CA-O 3.47Å; F82-R85 PolarHBondContact N-O 3.3Å; F82-R85 PolarHBondContact O-N 3.05Å; N83-R85 VanDerWaalsContact C-N 3.32Å; N83-R85 PolarHBondContact O-N 3.21Å; R85-L87 PolarHBondContact O-N 2.77Å
86P89.7Confident81.6Confident53 Ų5376.5 Ų76.534%0.34441%0.411SS..EExtended strand (participates in β ladder)trans-71.3120.9176.627.8-33.2000110.3N22 I80N22-P86 WeakPolarHBondContact CB-O 3.3Å; N22-P86 PolarHBondContact ND2-O 3.47Å; I80-P86 CarbonylContact O-C 3.58Å
87L92.1Very high79.5Confident2 Ų272.7 Ų72.71%0.0139%0.391CS..PPolyproline II helixtrans-71.5136.1173.6-60.3-174.4000109.8V20 I23 L32 L35 F36 I80 F82 R85V20-L87 HydrophobicContact CG1-CB 4.46Å; V20-L87 HydrophobicContact CG1-CD1 4.35Å; I23-L87 HydrophobicContact CB-CD2 4.43Å; I23-L87 HydrophobicContact CG1-CD2 4.03Å; L32-L87 HydrophobicContact CD2-CD1 4.15Å; L35-L87 HydrophobicContact CD2-CD1 3.83Å; F36-L87 HydrophobicContact CE2-CD1 4.48Å; F36-L87 HydrophobicContact CZ-CD1 4.27Å; I80-L87 HydrophobicContact CD1-CD1 3.99Å; I80-L87 HydrophobicContact CG1-CB 3.97Å; I80-L87 HydrophobicContact CG1-CD1 4.01Å; I80-L87 HydrophobicContact CG1-CG 4.27Å; I80-L87 PolarHBondContact O-N 3.46Å; F82-L87 HydrophobicContact CB-CD1 3.75Å; F82-L87 HydrophobicContact CB-CD2 3.91Å; F82-L87 HydrophobicContact CB-CG 3.75Å; F82-L87 HydrophobicContact CG-CD1 4.39Å; R85-L87 PolarHBondContact O-N 2.77Å
88R90.1Very high77.7Confident184 Ų18476 Ų7669%0.69442%0.415SS*.EExtended strand (participates in β ladder)trans-93.6123.2172.6-70.7-172.1175.3-165.8-1.9108.9V20 G21 N22V20-R88 CarbonylContact C-O 3.42Å; V20-R88 VanDerWaalsContact CA-O 3.3Å; V20-R88 WeakPolarHBondContact CA-O 3.26Å; G21-R88 PolarHBondContact N-O 3.22Å; G21-R88 PolarHBondContact O-N 3.47Å; N22-R88 HydrophobicContact CB-CG 4.26Å
89I91.6Very high76.1Confident12 Ų1275.5 Ų75.56%0.06243%0.428CS..EExtended strand (participates in β ladder)trans-116.1129.2178.3-58.6174000109.4I18 F19 F36 L74 L77 Q78 I80I18-I89 HydrophobicContact CB-CG2 4.47Å; I18-I89 HydrophobicContact CD1-CG2 3.93Å; F19-I89 CarbonylContact O-C 3.48Å; F19-I89 VanDerWaalsContact O-CA 3.3Å; F19-I89 WeakPolarHBondContact O-CA 3.47Å; F36-I89 HydrophobicContact CE1-CD1 3.64Å; F36-I89 HydrophobicContact CE1-CG1 4.24Å; F36-I89 HydrophobicContact CZ-CD1 4.18Å; F36-I89 HydrophobicContact CZ-CG1 4.41Å; L74-I89 HydrophobicContact CD1-CG2 3.77Å; L74-I89 HydrophobicContact CG-CG2 4.18Å; L77-I89 HydrophobicContact CB-CD1 3.38Å; L77-I89 WeakPolarHBondContact O-CD1 3.05Å; Q78-I89 PolarHBondContact NE2-O 3.37Å; Q78-I89 PolarHBondContact OE1-O 3.17Å; I80-I89 HydrophobicContact CD1-CD1 4.26Å; I80-I89 HydrophobicContact CG1-CD1 4.43Å
90G90.3Very high74.5Confident15 Ų1576.9 Ų76.916%0.15543%0.431CS..EExtended strand (participates in β ladder)trans-140.7170.3179.300000112.4F19 A92F19-G90 PolarHBondContact N-O 3.5Å; F19-G90 PolarHBondContact O-N 3.46Å; G90-A92 PolarHBondContact O-N 2.8Å
91P88.2Confident72.7Confident81 Ų8181.1 Ų81.153%0.52645%0.453SS..EExtended strand (participates in β ladder)trans-65.3134173.926.1-32000110.1L74 A93 G94L74-P91 HydrophobicContact CD2-CB 4.1Å; P91-A93 PolarHBondContact O-N 3.36Å; P91-A93 VanDerWaalsContact O-N 3.17Å; P91-G94 PolarHBondContact O-N 3.49Å
92A83.7Confident70.9Confident20 Ų2077.9 Ų77.917%0.16545%0.45CS..THydrogen-bonded Turntrans-66.1-17.1179.100000113.4S17 F61 G90 G94S17-A92 WeakPolarHBondContact O-CB 3.32Å; S17-A92 PolarHBondContact O-N 3.43Å; F61-A92 HydrophobicContact CD1-CB 4.04Å; F61-A92 HydrophobicContact CE1-CB 4.42Å; G90-A92 PolarHBondContact O-N 2.8Å; A92-G94 PolarHBondContact O-N 2.93Å
93A71Confident69.4Low35 Ų3584 Ų8429%0.28948%0.482SS..THydrogen-bonded Turntrans-76.15.1179.900000114.4T14 P91 E95T14-A93 HydrophobicContact CG2-CB 4.27Å; T14-A93 WeakPolarHBondContact OG1-CA 3.42Å; T14-A93 PolarHBondContact OG1-N 2.97Å; P91-A93 PolarHBondContact O-N 3.36Å; P91-A93 VanDerWaalsContact O-N 3.17Å; A93-E95 PolarHBondContact O-N 2.84Å
94G54.4Low67.8Low42 Ų4283.9 Ų83.943%0.43349%0.489SS..THydrogen-bonded Turntrans-81.1-2.7-159.600000119.7P91 A92 S98P91-G94 PolarHBondContact O-N 3.49Å; A92-G94 PolarHBondContact O-N 2.93Å; G94-S98 PolarHBondContact O-OG 3.34Å
95E52.1Low65.9Low188 Ų18886 Ų8688%0.87949%0.486SS*.THydrogen-bonded Turntrans-130.4-11.8-174.4-152.6149.782.500116.1A93A93-E95 PolarHBondContact O-N 2.84Å
96Q50.7Low63.9Low197 Ų19788.8 Ų88.892%0.92151%0.514SS*.THydrogen-bonded Turntrans-128-4.8176-63.2-168.7-21.900114.4
97N44.5Very low61.9Low37 Ų3791.2 Ų91.220%0.19853%0.533CS..SBendtrans-121.2-1-175.6-160.818.5000114.1A99 E100 L101N97-A99 PolarHBondContact O-N 3.48Å; N97-A99 VanDerWaalsContact O-N 3.13Å; N97-E100 PolarHBondContact O-N 2.91Å; N97-L101 WeakPolarHBondContact ND2-CD1 3.42Å
98S48.4Very low59.9Low85 Ų8596.8 Ų96.859%0.59457%0.567SS**THydrogen-bonded Turntrans-66.1-12179.6-63.60000114.2G94G94-S98 PolarHBondContact O-OG 3.34Å
99A50Low57.8Low87 Ų8790.8 Ų90.872%0.71956%0.562SS**THydrogen-bonded Turntrans-85.2-24.5177.500000113.8N97N97-A99 PolarHBondContact O-N 3.48Å; N97-A99 VanDerWaalsContact O-N 3.13Å
100E47.1Very low56.1Low147 Ų14795.2 Ų95.269%0.68759%0.591SS**THydrogen-bonded Turntrans-108.1-27.5-167.4-157139.384.300113.6N97N97-E100 PolarHBondContact O-N 2.91Å
101L49Very low54Low119 Ų119100 Ų10062%0.62362%0.62SS**G310 helixtrans-81.4-9.2173.7-91.6100.7000115N97 L103N97-L101 WeakPolarHBondContact ND2-CD1 3.42Å; L101-L103 VanDerWaalsContact C-N 3.27Å
102A51Low52.1Low71 Ų71103.5 Ų103.559%0.58763%0.633SS**G310 helixtrans-75.6-15.4172.800000113
103L55.3Low50.1Low149 Ų149111.2 Ų111.278%0.7867%0.666SS**G310 helixtrans-91.1-7.8-177.7-87.2155.5000114.3L101L101-L103 VanDerWaalsContact C-N 3.27Å
104S53Low49Very low94 Ų94111.6 Ų111.666%0.65767%0.667SS**SBendtrans-105.5-5.1-169.1-42.20000114.5
105N45.7Very low49.3Very low108 Ų108115.7 Ų115.758%0.57869%0.685SS**  trans-150.688.8-178.4-151.329.2000112.2S107N105-S107 PolarHBondContact O-N 3.41Å
106P44.8Very low49.9Very low139 Ų139115.2 Ų115.290%0.90368%0.677SS**THydrogen-bonded Turntrans-74.517.9-173.829.3-35000115.2
107S46.8Very low50.6Low104 Ų104108.1 Ų108.173%0.72766%0.656SS**THydrogen-bonded Turntrans-127-5.5-170.6-1630000116.4N105N105-S107 PolarHBondContact O-N 3.41Å
108V50.6Low51.8Low119 Ų119113.2 Ų113.272%0.72168%0.684SS**SBendtrans-149.583.9171.5-172.70000107.7
109G46.5Very low53Low58 Ų58116.7 Ų116.760%0.59870%0.696SS**  trans-66.7151.6174.400000111.2
110P54.6Low54.2Low105 Ų105116.9 Ų116.968%0.68268%0.683SS**  trans-54.4149164.326.4-32.5000108.4L112P110-L112 PolarHBondContact O-N 3.31Å
111P46.9Very low55.7Low116 Ų116114.5 Ų114.575%0.75368%0.676SS**  trans-52.7114.1174.922.5-30000106.2E113P111-E113 PolarHBondContact O-N 3.21Å
112L47.4Very low57.1Low154 Ų154114 Ų11481%0.80668%0.68SS**  trans-6587.7166.1-165.583.1000103.1P110 S114P110-L112 PolarHBondContact O-N 3.31Å; L112-S114 PolarHBondContact O-N 3.44Å
113E43.4Very low58.4Low181 Ų181119 Ų11985%0.84669%0.691SS**  trans-61.181.1158.2-109.317976.900104P111P111-E113 PolarHBondContact O-N 3.21Å
114S48Very low59.7Low44 Ų44113.8 Ų113.831%0.30867%0.669SS.*  trans-53.6131.2165.6-67.10000104L112 Y116 G117L112-S114 PolarHBondContact O-N 3.44Å; S114-Y116 PolarHBondContact O-N 3.06Å; S114-G117 PolarHBondContact O-N 2.75Å
115P59.3Low61.1Low127 Ų127110.8 Ų110.883%0.82565%0.65SS**THydrogen-bonded Turntrans-56.8-8.2-179.620.4-31.3000113.2
116Y64Low62.8Low179 Ų179109.1 Ų109.170%0.70265%0.645SS**THydrogen-bonded Turntrans-101.56178.9-63.6-78.4000115.1S114S114-Y116 PolarHBondContact O-N 3.06Å
117G66.4Low64.7Low47 Ų47109 Ų10949%0.48563%0.632SS.*  trans76.6-168.9-179.500000113.9S114S114-G117 PolarHBondContact O-N 2.75Å
118D69.9Low66.6Low145 Ų145105.3 Ų105.378%0.77561%0.608SS**SBendtrans-69.2157177.5-155.1-81.3000111.3I120D118-I120 WeakPolarHBondContact O-CG1 3.47Å; D118-I120 PolarHBondContact O-N 3.19Å
119N74.2Confident68.3Low158 Ų158101.2 Ų101.285%0.84558%0.582SS**  trans-74114.8178.6-93.5-88.8000109.6
120I74.4Confident70.1Confident90 Ų90100.4 Ų100.446%0.46257%0.567SS.*  trans-102.1135.9-179.3-50.2-173.8000109D118 A124 A128D118-I120 WeakPolarHBondContact O-CG1 3.47Å; D118-I120 PolarHBondContact O-N 3.19Å; I120-A124 HydrophobicContact CG2-CB 3.75Å; I120-A128 HydrophobicContact CD1-CB 3.29Å; I120-A128 HydrophobicContact CG2-CB 4.11Å
121D79.5Confident71.7Confident98 Ų98104.2 Ų104.252%0.52457%0.568SS.*  trans-55.2136.1171.9-169.6-81.2000110.3Q123 A124 A125D121-Q123 PolarHBondContact O-N 2.76Å; D121-Q123 WeakPolarHBondContact OD1-CB 3.22Å; D121-Q123 PolarHBondContact OD1-N 2.69Å; D121-A124 HydrophobicContact CB-CB 4.37Å; D121-A124 WeakPolarHBondContact O-CA 3.48Å; D121-A124 PolarHBondContact O-N 2.98Å; D121-A125 PolarHBondContact O-N 2.87Å
122P77.7Confident73.6Confident109 Ų109101.3 Ų101.371%0.70855%0.553SS**THydrogen-bonded Turntrans-56.6-26.6-176.522.5-35000113.5
123Q79Confident75.5Confident175 Ų17594.3 Ų94.382%0.81852%0.517SS*.THydrogen-bonded Turntrans-74.4-29.2174.3-68.2-162.2-105.500113.3D121D121-Q123 PolarHBondContact O-N 2.76Å; D121-Q123 WeakPolarHBondContact OD1-CB 3.22Å; D121-Q123 PolarHBondContact OD1-N 2.69Å
124A81.8Confident77.5Confident39 Ų3988.7 Ų88.732%0.32250%0.502SS..THydrogen-bonded Turntrans-90.1-14.2179.700000113.2I120 D121 E127 A128I120-A124 HydrophobicContact CG2-CB 3.75Å; D121-A124 HydrophobicContact CB-CB 4.37Å; D121-A124 WeakPolarHBondContact O-CA 3.48Å; D121-A124 PolarHBondContact O-N 2.98Å; A124-E127 PolarHBondContact O-N 2.93Å; A124-A128 PolarHBondContact O-N 2.91Å
125A82Confident79.5Confident31 Ų3190.9 Ų90.926%0.25652%0.517SS..Hα-helixtrans-49-48.9177.400000114.9D121 E127 A128 I129D121-A125 PolarHBondContact O-N 2.87Å; A125-E127 PolarHBondContact O-N 2.82Å; A125-A128 PolarHBondContact O-N 2.88Å; A125-I129 WeakPolarHBondContact O-CD1 3.39Å; A125-I129 VanDerWaalsContact O-CG1 3.23Å; A125-I129 WeakPolarHBondContact O-CG1 3.5Å; A125-I129 PolarHBondContact O-N 3.44Å
126P81.9Confident80.8Confident73 Ų7387.4 Ų87.447%0.47449%0.491SS..Hα-helixtrans-64.7-37.1-179.124.9-34.7000113S130P126-S130 WeakPolarHBondContact O-CB 3.35Å; P126-S130 PolarHBondContact O-N 3.49Å
127E85Confident82Confident137 Ų13781.4 Ų81.464%0.6447%0.474SS*.Hα-helixtrans-69.6-39.3176.1-72-16186.600111.8A124 A125 S130 R131A124-E127 PolarHBondContact O-N 2.93Å; A125-E127 PolarHBondContact O-N 2.82Å; E127-S130 WeakPolarHBondContact O-CB 3.49Å; E127-S130 PolarHBondContact O-N 2.87Å; E127-R131 WeakPolarHBondContact O-CB 3.28Å; E127-R131 PolarHBondContact O-N 2.77Å
128A85.7Confident83Confident26 Ų2684 Ų8422%0.21548%0.483CS..Hα-helixtrans-64.5-43.6176.100000112.1I120 A124 A125 S130 R131 A132I120-A128 HydrophobicContact CD1-CB 3.29Å; I120-A128 HydrophobicContact CG2-CB 4.11Å; A124-A128 PolarHBondContact O-N 2.91Å; A125-A128 PolarHBondContact O-N 2.88Å; A128-S130 VanDerWaalsContact C-N 3.34Å; A128-R131 PolarHBondContact O-N 3Å; A128-A132 VanDerWaalsContact O-CB 3.3Å; A128-A132 WeakPolarHBondContact O-CB 3.35Å; A128-A132 PolarHBondContact O-N 3.16Å
129I86.2Confident83.9Confident33 Ų3384.8 Ų84.817%0.16948%0.481CS..Hα-helixtrans-61.2-45.2173.7-66.8164000109.9A125 R131 A132 V133 Q168 A172A125-I129 WeakPolarHBondContact O-CD1 3.39Å; A125-I129 VanDerWaalsContact O-CG1 3.23Å; A125-I129 WeakPolarHBondContact O-CG1 3.5Å; A125-I129 PolarHBondContact O-N 3.44Å; I129-R131 VanDerWaalsContact C-N 3.34Å; I129-R131 PolarHBondContact O-N 2.91Å; I129-A132 PolarHBondContact O-N 3.39Å; I129-V133 HydrophobicContact CG2-CG2 4.2Å; I129-V133 WeakPolarHBondContact O-CB 3.12Å; I129-V133 VanDerWaalsContact O-CG2 3.31Å; I129-V133 WeakPolarHBondContact O-CG2 3.42Å; I129-V133 PolarHBondContact O-N 3.43Å; I129-Q168 HydrophobicContact CD1-CB 4.13Å; I129-A172 HydrophobicContact CG2-CB 3.71Å
130S85.8Confident84.7Confident42 Ų4282.7 Ų82.729%0.29447%0.467SS..Hα-helixtrans-57.8-45.9176.6-178.30000112.3P126 E127 A128 A134 Q175P126-S130 WeakPolarHBondContact O-CB 3.35Å; P126-S130 PolarHBondContact O-N 3.49Å; E127-S130 WeakPolarHBondContact O-CB 3.49Å; E127-S130 PolarHBondContact O-N 2.87Å; A128-S130 VanDerWaalsContact C-N 3.34Å; S130-A134 WeakPolarHBondContact O-CB 3.48Å; S130-A134 PolarHBondContact O-N 2.79Å; S130-Q175 PolarHBondContact OG-NE2 2.92Å; S130-Q175 VanDerWaalsContact OG-NE2 3.11Å
131R87.4Confident85.3Confident185 Ų18579 Ų7970%0.69845%0.447SS*.Hα-helixtrans-64.8-41.9176.6-172-179.5-66.31562.2112.1E127 A128 I129 A134 S135E127-R131 WeakPolarHBondContact O-CB 3.28Å; E127-R131 PolarHBondContact O-N 2.77Å; A128-R131 PolarHBondContact O-N 3Å; I129-R131 VanDerWaalsContact C-N 3.34Å; I129-R131 PolarHBondContact O-N 2.91Å; R131-A134 PolarHBondContact O-N 3.11Å; R131-S135 WeakPolarHBondContact O-CB 3.2Å; R131-S135 PolarHBondContact O-N 2.94Å; R131-S135 PolarHBondContact O-OG 2.75Å
132A87.2Confident85.7Confident54 Ų5481.4 Ų81.445%0.44645%0.45SS..Hα-helixtrans-66.4-42.4179.200000111.9A128 I129 S135 L136A128-A132 VanDerWaalsContact O-CB 3.3Å; A128-A132 WeakPolarHBondContact O-CB 3.35Å; A128-A132 PolarHBondContact O-N 3.16Å; I129-A132 PolarHBondContact O-N 3.39Å; A132-S135 PolarHBondContact O-OG 3.11Å; A132-L136 WeakPolarHBondContact O-CG 3.05Å
133V86.9Confident86.4Confident7 Ų779.8 Ų79.84%0.04243%0.433CS..Hα-helixtrans-70.4-39.2177.1175.10000110.8I129 S135 L136 M141 A172 Q175 A176I129-V133 HydrophobicContact CG2-CG2 4.2Å; I129-V133 WeakPolarHBondContact O-CB 3.12Å; I129-V133 VanDerWaalsContact O-CG2 3.31Å; I129-V133 WeakPolarHBondContact O-CG2 3.42Å; I129-V133 PolarHBondContact O-N 3.43Å; V133-S135 VanDerWaalsContact C-N 3.29Å; V133-S135 PolarHBondContact O-N 3.19Å; V133-L136 WeakPolarHBondContact O-CB 3.46Å; V133-L136 PolarHBondContact O-N 3.27Å; V133-M141 WeakPolarHBondContact O-CE 3.49Å; V133-A172 HydrophobicContact CG2-CB 3.94Å; V133-Q175 HydrophobicContact CB-CG 4.28Å; V133-Q175 HydrophobicContact CG1-CG 4.32Å; V133-A176 HydrophobicContact CG1-CB 3.84Å
134A86.2Confident86.9Confident64 Ų6473.5 Ų73.553%0.52941%0.405SS..Hα-helixtrans-70-22.6178.600000113.8S130 R131 L136S130-A134 WeakPolarHBondContact O-CB 3.48Å; S130-A134 PolarHBondContact O-N 2.79Å; R131-A134 PolarHBondContact O-N 3.11Å; A134-L136 VanDerWaalsContact C-N 3.35Å
135S89.7Confident87.2Confident89 Ų8972.9 Ų72.962%0.62240%0.396SS*.Hα-helixtrans-81.9-13.5175.769.30000113.4R131 A132 V133R131-S135 WeakPolarHBondContact O-CB 3.2Å; R131-S135 PolarHBondContact O-N 2.94Å; R131-S135 PolarHBondContact O-OG 2.75Å; A132-S135 PolarHBondContact O-OG 3.11Å; V133-S135 VanDerWaalsContact C-N 3.29Å; V133-S135 PolarHBondContact O-N 3.19Å
136L87Confident87.7Confident55 Ų5576.4 Ų76.429%0.28841%0.405SS..SBendtrans-69.8136.2176.4-64.9174.8000110.5A132 V133 A134 Q140A132-L136 WeakPolarHBondContact O-CG 3.05Å; V133-L136 WeakPolarHBondContact O-CB 3.46Å; V133-L136 PolarHBondContact O-N 3.27Å; A134-L136 VanDerWaalsContact C-N 3.35Å; L136-Q140 HydrophobicContact CB-CB 4.45Å
137P89.4Confident88.1Confident53 Ų5378.6 Ų78.634%0.34441%0.409SS..  trans-62.1152.3171.127.3-33.6000110.1E139 Q140 M141P137-E139 PolarHBondContact O-N 2.86Å; P137-E139 VanDerWaalsContact O-N 3.1Å; P137-Q140 HydrophobicContact CG-CB 3.99Å; P137-Q140 HydrophobicContact CG-CG 3.8Å; P137-Q140 PolarHBondContact O-N 2.75Å; P137-M141 PolarHBondContact O-N 3.23Å; P137-M141 VanDerWaalsContact O-N 3.12Å
138P85.5Confident88.3Confident102 Ų10273 Ų7366%0.66238%0.383SS*.Hα-helixtrans-57.9-31.3-17522.8-33.9000113M141 Y142P138-M141 PolarHBondContact O-N 3.01Å; P138-Y142 WeakPolarHBondContact O-CB 3.3Å; P138-Y142 PolarHBondContact O-N 2.83Å
139E90.1Very high88.5Confident160 Ų16078.1 Ų78.175%0.74840%0.401SS*.Hα-helixtrans-63.2-45.1176-64.4173.296.300112.2P137 M141 Y142 E143P137-E139 PolarHBondContact O-N 2.86Å; P137-E139 VanDerWaalsContact O-N 3.1Å; E139-M141 VanDerWaalsContact C-N 3.33Å; E139-Y142 PolarHBondContact O-N 2.87Å; E139-E143 PolarHBondContact O-N 3.39Å
140Q89.7Confident88.8Confident115 Ų11581.2 Ų81.254%0.53742%0.417SS..Hα-helixtrans-68.1-37177.4-77.3-163.773.500111.5L136 P137 Y142 E143 L144L136-Q140 HydrophobicContact CB-CB 4.45Å; P137-Q140 HydrophobicContact CG-CB 3.99Å; P137-Q140 HydrophobicContact CG-CG 3.8Å; P137-Q140 PolarHBondContact O-N 2.75Å; Q140-Y142 VanDerWaalsContact C-N 3.33Å; Q140-Y142 PolarHBondContact O-N 2.88Å; Q140-E143 PolarHBondContact O-N 3.18Å; Q140-L144 WeakPolarHBondContact O-CB 3.4Å; Q140-L144 PolarHBondContact O-N 2.81Å
141M87Confident89Confident12 Ų1280.7 Ų80.76%0.05941%0.413CS..Hα-helixtrans-64.8-40.6176.3-154.7-177-57.100110.9V133 P137 P138 E139 L144 M145 A176 V179 M180V133-M141 WeakPolarHBondContact O-CE 3.49Å; P137-M141 PolarHBondContact O-N 3.23Å; P137-M141 VanDerWaalsContact O-N 3.12Å; P138-M141 PolarHBondContact O-N 3.01Å; E139-M141 VanDerWaalsContact C-N 3.33Å; M141-L144 WeakPolarHBondContact O-CB 3.38Å; M141-L144 PolarHBondContact O-N 3.4Å; M141-M145 PolarHBondContact O-N 3.27Å; M141-M145 VanDerWaalsContact O-N 3.09Å; M141-A176 HydrophobicContact CG-CB 4.08Å; M141-A176 HydrophobicContact SD-CB 4.45Å; M141-V179 HydrophobicContact CE-CG1 3.91Å; M141-V179 HydrophobicContact SD-CB 4.1Å; M141-V179 HydrophobicContact SD-CG1 3.77Å; M141-M180 HydrophobicContact CB-CE 3.43Å; M141-M180 VanDerWaalsContact CB-CE 3.43Å; M141-M180 HydrophobicContact CG-CE 3.41Å; M141-M180 VanDerWaalsContact CG-CE 3.41Å; M141-M180 HydrophobicContact CG-CG 4.42Å; M141-M180 WeakPolarHBondContact O-CE 3.43Å; M141-M180 HydrophobicContact SD-CE 3.91Å; M141-M180 HydrophobicContact SD-CG 3.86Å
142Y89.5Confident89.3Confident149 Ų14975.8 Ų75.858%0.58440%0.4SS*.Hα-helixtrans-66-43.1176.4-177.6-95.6000111.5P138 E139 Q140 L144 M145 K146P138-Y142 WeakPolarHBondContact O-CB 3.3Å; P138-Y142 PolarHBondContact O-N 2.83Å; E139-Y142 PolarHBondContact O-N 2.87Å; Q140-Y142 VanDerWaalsContact C-N 3.33Å; Q140-Y142 PolarHBondContact O-N 2.88Å; Y142-L144 VanDerWaalsContact C-N 3.32Å; Y142-L144 PolarHBondContact O-N 3.45Å; Y142-M145 PolarHBondContact O-N 2.8Å; Y142-K146 HydrophobicContact CE1-CD 4.3Å; Y142-K146 WeakPolarHBondContact O-CB 3.18Å; Y142-K146 PolarHBondContact O-N 2.9Å
143E90.8Very high89.6Confident74 Ų7479.4 Ų79.435%0.34641%0.407SS..Hα-helixtrans-63.5-39.1176.7-162.160.9-147.300111.3E139 Q140 M145 K146 Q147E139-E143 PolarHBondContact O-N 3.39Å; Q140-E143 PolarHBondContact O-N 3.18Å; E143-M145 PolarHBondContact O-N 2.92Å; E143-K146 PolarHBondContact O-N 2.79Å; E143-K146 IonicContact OE1-NZ 2.99Å; E143-K146 PolarHBondContact OE1-NZ 2.82Å; E143-K146 IonicContact OE2-NZ 3.16Å; E143-K146 PolarHBondContact OE2-NZ 3.36Å; E143-K146 VanDerWaalsContact OE2-NZ 3.16Å; E143-Q147 HydrophobicContact CG-CG 4.5Å; E143-Q147 WeakPolarHBondContact O-CB 3.49Å; E143-Q147 VanDerWaalsContact O-CG 3.31Å; E143-Q147 WeakPolarHBondContact O-CG 3.34Å; E143-Q147 PolarHBondContact O-N 3.19Å
144L90.3Very high89.9Confident44 Ų4484 Ų8423%0.2343%0.432CS..Hα-helixtrans-57.5-48.7172.917665.4000111.8Q140 M141 Y142 K146 Q147 M148 L173Q140-L144 WeakPolarHBondContact O-CB 3.4Å; Q140-L144 PolarHBondContact O-N 2.81Å; M141-L144 WeakPolarHBondContact O-CB 3.38Å; M141-L144 PolarHBondContact O-N 3.4Å; Y142-L144 VanDerWaalsContact C-N 3.32Å; Y142-L144 PolarHBondContact O-N 3.45Å; L144-K146 VanDerWaalsContact C-N 3.33Å; L144-K146 PolarHBondContact O-N 2.88Å; L144-Q147 PolarHBondContact O-N 2.86Å; L144-M148 WeakPolarHBondContact O-CB 3Å; L144-M148 PolarHBondContact O-N 3.21Å; L144-L173 HydrophobicContact CD1-CD2 4.13Å; L144-L173 HydrophobicContact CD2-CD2 4.3Å; L144-L173 HydrophobicContact CG-CD2 4Å
145M88.9Confident90.3Very high25 Ų2585.1 Ų85.112%0.12343%0.429CS..Hα-helixtrans-63.2-39.6177.2-71.9-63100.500112.2M141 Y142 E143 M148 K149 L173 A176 Q177 M180M141-M145 PolarHBondContact O-N 3.27Å; M141-M145 VanDerWaalsContact O-N 3.09Å; Y142-M145 PolarHBondContact O-N 2.8Å; E143-M145 PolarHBondContact O-N 2.92Å; M145-M148 PolarHBondContact O-N 3.41Å; M145-K149 WeakPolarHBondContact O-CB 3.35Å; M145-K149 PolarHBondContact O-N 2.74Å; M145-L173 HydrophobicContact CE-CB 4.27Å; M145-L173 HydrophobicContact CE-CD2 3.37Å; M145-L173 HydrophobicContact CE-CG 4.41Å; M145-A176 HydrophobicContact CE-CB 3.64Å; M145-A176 HydrophobicContact SD-CB 4.48Å; M145-Q177 HydrophobicContact SD-CG 3.77Å; M145-M180 HydrophobicContact CG-CE 4.19Å; M145-M180 HydrophobicContact CG-SD 3.8Å
146K90.8Very high90.4Very high105 Ų10584.4 Ų84.446%0.45742%0.422SS..Hα-helixtrans-66.6-44.9178.9179.2-177.2159.4-144.20111.8Y142 E143 L144 K149 L150Y142-K146 HydrophobicContact CE1-CD 4.3Å; Y142-K146 WeakPolarHBondContact O-CB 3.18Å; Y142-K146 PolarHBondContact O-N 2.9Å; E143-K146 PolarHBondContact O-N 2.79Å; E143-K146 IonicContact OE1-NZ 2.99Å; E143-K146 PolarHBondContact OE1-NZ 2.82Å; E143-K146 IonicContact OE2-NZ 3.16Å; E143-K146 PolarHBondContact OE2-NZ 3.36Å; E143-K146 VanDerWaalsContact OE2-NZ 3.16Å; L144-K146 VanDerWaalsContact C-N 3.33Å; L144-K146 PolarHBondContact O-N 2.88Å; K146-K149 PolarHBondContact O-N 3.02Å; K146-L150 WeakPolarHBondContact O-CB 3.45Å; K146-L150 PolarHBondContact O-N 3.22Å
147Q91.1Very high90.7Very high119 Ų11987.6 Ų87.656%0.55644%0.439SS*.Hα-helixtrans-61.6-44.2175.4-74.4178.5-11.800111.3E143 L144 K149 L150 C151E143-Q147 HydrophobicContact CG-CG 4.5Å; E143-Q147 WeakPolarHBondContact O-CB 3.49Å; E143-Q147 VanDerWaalsContact O-CG 3.31Å; E143-Q147 WeakPolarHBondContact O-CG 3.34Å; E143-Q147 PolarHBondContact O-N 3.19Å; L144-Q147 PolarHBondContact O-N 2.86Å; Q147-K149 PolarHBondContact O-N 3.43Å; Q147-L150 PolarHBondContact O-N 3.3Å; Q147-C151 WeakPolarHBondContact O-CB 3.31Å; Q147-C151 PolarHBondContact O-N 3.24Å
148M89.3Confident90.7Very high20 Ų2090.8 Ų90.810%0.09945%0.45CS..Hα-helixtrans-61.7-44.4175.8-17953.458.200111.7L144 M145 L150 C151 I152 M162 L163 L169 L173L144-M148 WeakPolarHBondContact O-CB 3Å; L144-M148 PolarHBondContact O-N 3.21Å; M145-M148 PolarHBondContact O-N 3.41Å; M148-L150 VanDerWaalsContact C-N 3.32Å; M148-L150 PolarHBondContact O-N 3.28Å; M148-C151 PolarHBondContact O-N 3.07Å; M148-I152 HydrophobicContact CG-CD1 3.98Å; M148-I152 VanDerWaalsContact O-CG1 3.31Å; M148-I152 WeakPolarHBondContact O-CG1 3.43Å; M148-I152 PolarHBondContact O-N 3.49Å; M148-I152 HydrophobicContact SD-CD1 3.96Å; M148-I152 HydrophobicContact SD-CG1 4.16Å; M148-M162 HydrophobicContact CE-CE 3.38Å; M148-M162 HydrophobicContact SD-CE 4.16Å; M148-L163 HydrophobicContact CE-CD2 4.12Å; M148-L163 HydrophobicContact SD-CD1 4.49Å; M148-L163 HydrophobicContact SD-CD2 4.47Å; M148-L169 HydrophobicContact CE-CD2 4.43Å; M148-L173 HydrophobicContact CB-CD2 4.05Å; M148-L173 HydrophobicContact CE-CD1 3.19Å; M148-L173 HydrophobicContact CE-CD2 4Å; M148-L173 HydrophobicContact CE-CG 4.21Å; M148-L173 HydrophobicContact CG-CD1 4.1Å; M148-L173 HydrophobicContact CG-CD2 4.05Å; M148-L173 HydrophobicContact SD-CD1 4.02Å
149K90.6Very high91Very high133 Ų13386 Ų8658%0.57842%0.419SS*.Hα-helixtrans-59.3-44175-175.5-179178.4-176.40111.6M145 K146 Q147 I152 Q153M145-K149 WeakPolarHBondContact O-CB 3.35Å; M145-K149 PolarHBondContact O-N 2.74Å; K146-K149 PolarHBondContact O-N 3.02Å; Q147-K149 PolarHBondContact O-N 3.43Å; K149-I152 PolarHBondContact O-N 2.87Å; K149-Q153 WeakPolarHBondContact O-CB 3.27Å; K149-Q153 VanDerWaalsContact O-CG 3.29Å; K149-Q153 WeakPolarHBondContact O-CG 3.33Å; K149-Q153 PolarHBondContact O-N 3.36Å
150L92.1Very high91Very high99 Ų9985 Ų8552%0.51841%0.409SS..Hα-helixtrans-64.4-42.4178.4-172.168000111.6K146 Q147 M148 I152 Q153 N154K146-L150 WeakPolarHBondContact O-CB 3.45Å; K146-L150 PolarHBondContact O-N 3.22Å; Q147-L150 PolarHBondContact O-N 3.3Å; M148-L150 VanDerWaalsContact C-N 3.32Å; M148-L150 PolarHBondContact O-N 3.28Å; L150-I152 PolarHBondContact O-N 3.39Å; L150-Q153 PolarHBondContact O-N 3.49Å; L150-N154 VanDerWaalsContact CD1-ND2 3.32Å; L150-N154 WeakPolarHBondContact CD1-ND2 3.47Å; L150-N154 WeakPolarHBondContact CG-ND2 3.37Å; L150-N154 PolarHBondContact O-N 3.13Å; L150-N154 PolarHBondContact O-ND2 3.03Å
151C90.2Very high91Very high30 Ų3083.7 Ų83.720%0.20341%0.405CS..Hα-helixtrans-59-46.4176.2-179.30000111.5Q147 M148 Q153 N154 N155Q147-C151 WeakPolarHBondContact O-CB 3.31Å; Q147-C151 PolarHBondContact O-N 3.24Å; M148-C151 PolarHBondContact O-N 3.07Å; C151-Q153 VanDerWaalsContact C-N 3.34Å; C151-Q153 PolarHBondContact O-N 2.79Å; C151-N154 PolarHBondContact O-N 2.88Å; C151-N155 CarbonylContact O-C 3.56Å; C151-N155 PolarHBondContact O-N 2.97Å
152I93.3Very high91.2Very high83 Ų8385.8 Ų85.843%0.42642%0.415SS..Hα-helixtrans-64-38.6177.1-64.8163.6000111.7M148 K149 L150 A159M148-I152 HydrophobicContact CG-CD1 3.98Å; M148-I152 VanDerWaalsContact O-CG1 3.31Å; M148-I152 WeakPolarHBondContact O-CG1 3.43Å; M148-I152 PolarHBondContact O-N 3.49Å; M148-I152 HydrophobicContact SD-CD1 3.96Å; M148-I152 HydrophobicContact SD-CG1 4.16Å; K149-I152 PolarHBondContact O-N 2.87Å; L150-I152 PolarHBondContact O-N 3.39Å; I152-A159 HydrophobicContact CB-CB 4.42Å; I152-A159 HydrophobicContact CG1-CB 3.74Å
153Q93.1Very high91.2Very high129 Ų12981 Ų8160%0.60340%0.4SS*.Hα-helixtrans-70.9-38.2-179.3-76.8-178-1100113.3K149 L150 C151K149-Q153 WeakPolarHBondContact O-CB 3.27Å; K149-Q153 VanDerWaalsContact O-CG 3.29Å; K149-Q153 WeakPolarHBondContact O-CG 3.33Å; K149-Q153 PolarHBondContact O-N 3.36Å; L150-Q153 PolarHBondContact O-N 3.49Å; C151-Q153 VanDerWaalsContact C-N 3.34Å; C151-Q153 PolarHBondContact O-N 2.79Å
154N93.9Very high91.1Very high105 Ų10582.7 Ų82.756%0.56141%0.41SS*.Hα-helixtrans-78-47.7179.4-74.9-87000111.1L150 C151L150-N154 VanDerWaalsContact CD1-ND2 3.32Å; L150-N154 WeakPolarHBondContact CD1-ND2 3.47Å; L150-N154 WeakPolarHBondContact CG-ND2 3.37Å; L150-N154 PolarHBondContact O-N 3.13Å; L150-N154 PolarHBondContact O-ND2 3.03Å; C151-N154 PolarHBondContact O-N 2.88Å
155N93.3Very high91.1Very high86 Ų8687.5 Ų87.546%0.4643%0.432SS..  trans-142.681.8-171-70.977.3000111.1C151 N157 E158 A159C151-N155 CarbonylContact O-C 3.56Å; C151-N155 PolarHBondContact O-N 2.97Å; N155-N157 VanDerWaalsContact C-N 3.29Å; N155-N157 PolarHBondContact O-N 2.79Å; N155-E158 HydrophobicContact CB-CB 3.77Å; N155-E158 PolarHBondContact O-N 3.32Å; N155-E158 VanDerWaalsContact O-N 3.13Å; N155-A159 PolarHBondContact O-N 3.42Å
156P93.1Very high91Very high75 Ų7588.4 Ų88.449%0.48744%0.437SS..Hα-helixtrans-62.6-34.2-17623.9-34.2000113.2R160P156-R160 WeakPolarHBondContact O-CB 3.46Å; P156-R160 PolarHBondContact O-N 3.29Å
157N92.3Very high90.7Very high121 Ų12186.7 Ų86.765%0.64744%0.437SS*.Hα-helixtrans-68.7-36.9177.4-67.4-55000112.2N155 N161N155-N157 VanDerWaalsContact C-N 3.29Å; N155-N157 PolarHBondContact O-N 2.79Å; N157-N161 PolarHBondContact O-N 3.12Å; N157-N161 PolarHBondContact O-ND2 3.39Å
158E90.4Very high90.6Very high121 Ų12185.4 Ų85.457%0.56543%0.431SS*.Hα-helixtrans-70.7-46.7176.7-173.4175.687.700110.2N155 R160 N161 M162N155-E158 HydrophobicContact CB-CB 3.77Å; N155-E158 PolarHBondContact O-N 3.32Å; N155-E158 VanDerWaalsContact O-N 3.13Å; E158-R160 VanDerWaalsContact C-N 3.27Å; E158-R160 PolarHBondContact O-N 3.46Å; E158-N161 PolarHBondContact O-N 3.38Å; E158-N161 VanDerWaalsContact O-N 3.12Å; E158-M162 WeakPolarHBondContact O-CB 3.42Å; E158-M162 PolarHBondContact O-N 2.96Å
159A91.3Very high90.6Very high2 Ų286.7 Ų86.72%0.01744%0.438CS..Hα-helixtrans-55.5-43.2174.600000111.6I152 N155 M162 L163I152-A159 HydrophobicContact CB-CB 4.42Å; I152-A159 HydrophobicContact CG1-CB 3.74Å; N155-A159 PolarHBondContact O-N 3.42Å; A159-M162 PolarHBondContact O-N 3.01Å; A159-L163 WeakPolarHBondContact O-CB 3.4Å; A159-L163 VanDerWaalsContact O-CG 3.23Å; A159-L163 WeakPolarHBondContact O-CG 3.32Å; A159-L163 PolarHBondContact O-N 3.21Å
160R90.7Very high90.5Very high139 Ų13982 Ų8253%0.52542%0.424SS..Hα-helixtrans-62.5-47.6175.6-173.5-179.6-178.3-176.90.6112P156 E158 M162 L163 L164P156-R160 WeakPolarHBondContact O-CB 3.46Å; P156-R160 PolarHBondContact O-N 3.29Å; E158-R160 VanDerWaalsContact C-N 3.27Å; E158-R160 PolarHBondContact O-N 3.46Å; R160-M162 VanDerWaalsContact C-N 3.34Å; R160-L163 PolarHBondContact O-N 3.01Å; R160-L164 HydrophobicContact CG-CD1 3.98Å; R160-L164 HydrophobicContact CG-CG 4.48Å; R160-L164 WeakPolarHBondContact O-CB 3.49Å; R160-L164 VanDerWaalsContact O-CG 3.27Å; R160-L164 WeakPolarHBondContact O-CG 3.09Å; R160-L164 PolarHBondContact O-N 2.85Å
161N90.2Very high90.3Very high86 Ų8682.8 Ų82.846%0.4642%0.421SS..Hα-helixtrans-62.7-41.9177.5-83.3-66.4000111.6N157 E158 L163 L164 Q165N157-N161 PolarHBondContact O-N 3.12Å; N157-N161 PolarHBondContact O-ND2 3.39Å; E158-N161 PolarHBondContact O-N 3.38Å; E158-N161 VanDerWaalsContact O-N 3.12Å; N161-L163 PolarHBondContact O-N 3.32Å; N161-L164 PolarHBondContact O-N 3.27Å; N161-Q165 VanDerWaalsContact O-CB 3.31Å; N161-Q165 WeakPolarHBondContact O-CB 3.13Å; N161-Q165 VanDerWaalsContact O-CG 3.26Å; N161-Q165 WeakPolarHBondContact O-CG 3.41Å; N161-Q165 PolarHBondContact O-N 2.95Å
162M89.3Confident90.2Very high56 Ų5682.2 Ų82.228%0.27642%0.418SS..Hα-helixtrans-60.4-44.7177.2-176.3-174.367.900111.5M148 E158 A159 R160 N166 L169M148-M162 HydrophobicContact CE-CE 3.38Å; M148-M162 HydrophobicContact SD-CE 4.16Å; E158-M162 WeakPolarHBondContact O-CB 3.42Å; E158-M162 PolarHBondContact O-N 2.96Å; A159-M162 PolarHBondContact O-N 3.01Å; R160-M162 VanDerWaalsContact C-N 3.34Å; M162-N166 WeakPolarHBondContact O-CB 3.16Å; M162-N166 PolarHBondContact O-N 3.24Å; M162-N166 PolarHBondContact O-ND2 3.04Å; M162-L169 HydrophobicContact CE-CD2 3.92Å; M162-L169 HydrophobicContact CG-CD2 4.11Å; M162-L169 HydrophobicContact SD-CD2 4.11Å
163L90.8Very high90.1Very high50 Ų5078.7 Ų78.726%0.26240%0.4SS..Hα-helixtrans-69.6-33.6177.6-69.2172.9000113M148 A159 R160 N161 L169 A170 L173M148-L163 HydrophobicContact CE-CD2 4.12Å; M148-L163 HydrophobicContact SD-CD1 4.49Å; M148-L163 HydrophobicContact SD-CD2 4.47Å; A159-L163 WeakPolarHBondContact O-CB 3.4Å; A159-L163 VanDerWaalsContact O-CG 3.23Å; A159-L163 WeakPolarHBondContact O-CG 3.32Å; A159-L163 PolarHBondContact O-N 3.21Å; R160-L163 PolarHBondContact O-N 3.01Å; N161-L163 PolarHBondContact O-N 3.32Å; L163-L169 HydrophobicContact CD2-CG 4.46Å; L163-A170 HydrophobicContact CD2-CB 4.19Å; L163-L173 HydrophobicContact CD2-CD1 3.4Å; L163-L173 VanDerWaalsContact CD2-CD1 3.4Å
164L89.2Confident89.9Confident108 Ų10873.7 Ų73.757%0.56538%0.377SS*.Hα-helixtrans-72.6-38.9175.8-73.8172000112.2R160 N161R160-L164 HydrophobicContact CG-CD1 3.98Å; R160-L164 HydrophobicContact CG-CG 4.48Å; R160-L164 WeakPolarHBondContact O-CB 3.49Å; R160-L164 VanDerWaalsContact O-CG 3.27Å; R160-L164 WeakPolarHBondContact O-CG 3.09Å; R160-L164 PolarHBondContact O-N 2.85Å; N161-L164 PolarHBondContact O-N 3.27Å
165Q89.1Confident89.6Confident145 Ų14571 Ų7168%0.67836%0.362SS*.Hα-helixtrans-76.9-23.8179.6-71.5178.2-10.200112.8N161 P167N161-Q165 VanDerWaalsContact O-CB 3.31Å; N161-Q165 WeakPolarHBondContact O-CB 3.13Å; N161-Q165 VanDerWaalsContact O-CG 3.26Å; N161-Q165 WeakPolarHBondContact O-CG 3.41Å; N161-Q165 PolarHBondContact O-N 2.95Å; Q165-P167 WeakPolarHBondContact O-CD 3.44Å
166N86.6Confident89.3Confident45 Ų4566.9 Ų66.924%0.24134%0.34CS..  trans-123.176.2-177.4-59.5-91.3000110.3M162 Q168 L169 A170M162-N166 WeakPolarHBondContact O-CB 3.16Å; M162-N166 PolarHBondContact O-N 3.24Å; M162-N166 PolarHBondContact O-ND2 3.04Å; N166-Q168 PolarHBondContact O-N 3.2Å; N166-L169 HydrophobicContact CB-CB 3.86Å; N166-L169 WeakPolarHBondContact O-CB 3.49Å; N166-L169 PolarHBondContact O-N 3.01Å; N166-A170 PolarHBondContact O-N 2.84Å
167P85.9Confident89.1Confident68 Ų6866.3 Ų66.344%0.44233%0.33SS..Hα-helixtrans-57.9-35.7-179.623.3-34.2000112.4Q165 L169 A170 Y171Q165-P167 WeakPolarHBondContact O-CD 3.44Å; P167-L169 VanDerWaalsContact C-N 3.25Å; P167-L169 PolarHBondContact O-N 3.12Å; P167-A170 WeakPolarHBondContact O-CB 3.31Å; P167-A170 PolarHBondContact O-N 3.19Å; P167-A170 VanDerWaalsContact O-N 3.13Å; P167-Y171 WeakPolarHBondContact O-CD2 3.45Å; P167-Y171 PolarHBondContact O-N 3.37Å
168Q87.6Confident88.9Confident92 Ų9262.6 Ų62.643%0.4331%0.31SS..Hα-helixtrans-59.6-36.1176.162-87.758.600112.5I129 N166 A172I129-Q168 HydrophobicContact CD1-CB 4.13Å; N166-Q168 PolarHBondContact O-N 3.2Å; Q168-A172 WeakPolarHBondContact O-CB 3.37Å; Q168-A172 PolarHBondContact O-N 3.5Å
169L89.5Confident88.7Confident47 Ų4760 Ų6025%0.24630%0.302CS..Hα-helixtrans-69.6-43.4175.5177.662.8000110.5M148 M162 L163 N166 P167 Y171 A172 L173M148-L169 HydrophobicContact CE-CD2 4.43Å; M162-L169 HydrophobicContact CE-CD2 3.92Å; M162-L169 HydrophobicContact CG-CD2 4.11Å; M162-L169 HydrophobicContact SD-CD2 4.11Å; L163-L169 HydrophobicContact CD2-CG 4.46Å; N166-L169 HydrophobicContact CB-CB 3.86Å; N166-L169 WeakPolarHBondContact O-CB 3.49Å; N166-L169 PolarHBondContact O-N 3.01Å; P167-L169 VanDerWaalsContact C-N 3.25Å; P167-L169 PolarHBondContact O-N 3.12Å; L169-Y171 VanDerWaalsContact C-N 3.34Å; L169-Y171 PolarHBondContact O-N 3.11Å; L169-A172 PolarHBondContact O-N 2.94Å; L169-L173 HydrophobicContact CD1-CD1 4.16Å; L169-L173 HydrophobicContact CD1-CG 4.23Å; L169-L173 HydrophobicContact CG-CD1 3.95Å; L169-L173 HydrophobicContact CG-CG 4.48Å; L169-L173 WeakPolarHBondContact O-CD1 3.23Å; L169-L173 VanDerWaalsContact O-CG 3.22Å; L169-L173 WeakPolarHBondContact O-CG 3.43Å; L169-L173 PolarHBondContact O-N 3.29Å
170A88.8Confident88.4Confident36 Ų3662.6 Ų62.630%0.29832%0.315SS..Hα-helixtrans-59.2-44.4176.100000111.9L163 N166 P167 L173 L174L163-A170 HydrophobicContact CD2-CB 4.19Å; N166-A170 PolarHBondContact O-N 2.84Å; P167-A170 WeakPolarHBondContact O-CB 3.31Å; P167-A170 PolarHBondContact O-N 3.19Å; P167-A170 VanDerWaalsContact O-N 3.13Å; A170-L173 PolarHBondContact O-N 3.2Å; A170-L174 PolarHBondContact O-N 2.81Å
171Y87.6Confident88.1Confident115 Ų11565 Ų6545%0.45133%0.329SS..Hα-helixtrans-62.1-43.9173.7-82.1-72.1000112.4P167 L169 L173 L174 Q175 L192P167-Y171 WeakPolarHBondContact O-CD2 3.45Å; P167-Y171 PolarHBondContact O-N 3.37Å; L169-Y171 VanDerWaalsContact C-N 3.34Å; L169-Y171 PolarHBondContact O-N 3.11Å; Y171-L173 VanDerWaalsContact C-N 3.32Å; Y171-L173 PolarHBondContact O-N 3Å; Y171-L174 PolarHBondContact O-N 3.43Å; Y171-Q175 WeakPolarHBondContact O-CB 3.42Å; Y171-Q175 PolarHBondContact O-N 3.29Å; Y171-L192 HydrophobicContact CD1-CD2 4.09Å; Y171-L192 HydrophobicContact CE1-CD1 4.2Å; Y171-L192 HydrophobicContact CE1-CD2 3.37Å; Y171-L192 HydrophobicContact CE1-CG 4.43Å
172A89.2Confident87.9Confident18 Ų1866 Ų6615%0.14933%0.334CS..Hα-helixtrans-61.6-40.4178.400000112.2I129 V133 Q168 L169 Q175 A176I129-A172 HydrophobicContact CG2-CB 3.71Å; V133-A172 HydrophobicContact CG2-CB 3.94Å; Q168-A172 WeakPolarHBondContact O-CB 3.37Å; Q168-A172 PolarHBondContact O-N 3.5Å; L169-A172 PolarHBondContact O-N 2.94Å; A172-Q175 PolarHBondContact O-N 2.86Å; A172-A176 WeakPolarHBondContact O-CB 3.46Å; A172-A176 PolarHBondContact O-N 2.74Å
173L90.4Very high87.7Confident9 Ų964.5 Ų64.55%0.04733%0.327CS..Hα-helixtrans-69.1-42.3178-66.3161.4000112L144 M145 M148 L163 L169 A170 Y171 Q175 A176 Q177L144-L173 HydrophobicContact CD1-CD2 4.13Å; L144-L173 HydrophobicContact CD2-CD2 4.3Å; L144-L173 HydrophobicContact CG-CD2 4Å; M145-L173 HydrophobicContact CE-CB 4.27Å; M145-L173 HydrophobicContact CE-CD2 3.37Å; M145-L173 HydrophobicContact CE-CG 4.41Å; M148-L173 HydrophobicContact CB-CD2 4.05Å; M148-L173 HydrophobicContact CE-CD1 3.19Å; M148-L173 HydrophobicContact CE-CD2 4Å; M148-L173 HydrophobicContact CE-CG 4.21Å; M148-L173 HydrophobicContact CG-CD1 4.1Å; M148-L173 HydrophobicContact CG-CD2 4.05Å; M148-L173 HydrophobicContact SD-CD1 4.02Å; L163-L173 HydrophobicContact CD2-CD1 3.4Å; L163-L173 VanDerWaalsContact CD2-CD1 3.4Å; L169-L173 HydrophobicContact CD1-CD1 4.16Å; L169-L173 HydrophobicContact CD1-CG 4.23Å; L169-L173 HydrophobicContact CG-CD1 3.95Å; L169-L173 HydrophobicContact CG-CG 4.48Å; L169-L173 WeakPolarHBondContact O-CD1 3.23Å; L169-L173 VanDerWaalsContact O-CG 3.22Å; L169-L173 WeakPolarHBondContact O-CG 3.43Å; L169-L173 PolarHBondContact O-N 3.29Å; A170-L173 PolarHBondContact O-N 3.2Å; Y171-L173 VanDerWaalsContact C-N 3.32Å; Y171-L173 PolarHBondContact O-N 3Å; L173-Q175 VanDerWaalsContact C-N 3.3Å; L173-Q175 PolarHBondContact O-N 2.95Å; L173-A176 PolarHBondContact O-N 3.47Å; L173-Q177 VanDerWaalsContact O-CG 3.32Å; L173-Q177 WeakPolarHBondContact O-CG 3.41Å; L173-Q177 PolarHBondContact O-N 2.96Å
174L88.5Confident87.4Confident23 Ų2366.8 Ų66.812%0.1234%0.34CS..Hα-helixtrans-60.2-44.4174.4-178.363.6000110.5A170 Y171 Q177 I178 A188 L192A170-L174 PolarHBondContact O-N 2.81Å; Y171-L174 PolarHBondContact O-N 3.43Å; L174-Q177 WeakPolarHBondContact O-CB 3.36Å; L174-Q177 PolarHBondContact O-N 3.24Å; L174-I178 HydrophobicContact CG-CD1 4.41Å; L174-I178 WeakPolarHBondContact O-CG1 3.44Å; L174-I178 PolarHBondContact O-N 3.49Å; L174-I178 VanDerWaalsContact O-N 3.08Å; L174-A188 HydrophobicContact CD1-CB 3.81Å; L174-A188 HydrophobicContact CD2-CB 4.21Å; L174-A188 HydrophobicContact CG-CB 4.12Å; L174-L192 HydrophobicContact CD2-CD1 3.99Å; L174-L192 HydrophobicContact CD2-CD2 3.84Å; L174-L192 HydrophobicContact CD2-CG 3.82Å
175Q87.2Confident87Confident49 Ų4965 Ų6523%0.22933%0.334CS..Hα-helixtrans-62.7-44.1176.9-176.363.113.800112S130 V133 Y171 A172 L173 Q177 I178 V179S130-Q175 PolarHBondContact OG-NE2 2.92Å; S130-Q175 VanDerWaalsContact OG-NE2 3.11Å; V133-Q175 HydrophobicContact CB-CG 4.28Å; V133-Q175 HydrophobicContact CG1-CG 4.32Å; Y171-Q175 WeakPolarHBondContact O-CB 3.42Å; Y171-Q175 PolarHBondContact O-N 3.29Å; A172-Q175 PolarHBondContact O-N 2.86Å; L173-Q175 VanDerWaalsContact C-N 3.3Å; L173-Q175 PolarHBondContact O-N 2.95Å; Q175-Q177 VanDerWaalsContact C-N 3.29Å; Q175-Q177 PolarHBondContact O-N 2.75Å; Q175-I178 PolarHBondContact O-N 3.48Å; Q175-I178 VanDerWaalsContact O-N 3.15Å; Q175-V179 WeakPolarHBondContact O-CG2 3.22Å; Q175-V179 PolarHBondContact O-N 3.44Å
176A88.5Confident86.6Confident0 Ų066 Ų660%034%0.337CS..Hα-helixtrans-59.5-40.6175.700000111.6V133 M141 M145 A172 L173 I178 V179 M180V133-A176 HydrophobicContact CG1-CB 3.84Å; M141-A176 HydrophobicContact CG-CB 4.08Å; M141-A176 HydrophobicContact SD-CB 4.45Å; M145-A176 HydrophobicContact CE-CB 3.64Å; M145-A176 HydrophobicContact SD-CB 4.48Å; A172-A176 WeakPolarHBondContact O-CB 3.46Å; A172-A176 PolarHBondContact O-N 2.74Å; L173-A176 PolarHBondContact O-N 3.47Å; A176-I178 VanDerWaalsContact C-N 3.34Å; A176-I178 PolarHBondContact O-N 3.37Å; A176-V179 PolarHBondContact O-N 2.92Å; A176-M180 WeakPolarHBondContact O-CB 3.3Å; A176-M180 VanDerWaalsContact O-CG 3.3Å; A176-M180 WeakPolarHBondContact O-CG 3.16Å; A176-M180 PolarHBondContact O-N 3.34Å
177Q87.8Confident86.5Confident62 Ų6267.2 Ų67.229%0.2935%0.345SS..Hα-helixtrans-63.5-36.5175.7-72173.4-6.100113M145 L173 L174 Q175 K181 I182 V183M145-Q177 HydrophobicContact SD-CG 3.77Å; L173-Q177 VanDerWaalsContact O-CG 3.32Å; L173-Q177 WeakPolarHBondContact O-CG 3.41Å; L173-Q177 PolarHBondContact O-N 2.96Å; L174-Q177 WeakPolarHBondContact O-CB 3.36Å; L174-Q177 PolarHBondContact O-N 3.24Å; Q175-Q177 VanDerWaalsContact C-N 3.29Å; Q175-Q177 PolarHBondContact O-N 2.75Å; Q177-K181 PolarHBondContact O-N 3.25Å; Q177-I182 HydrophobicContact CB-CB 4.39Å; Q177-I182 PolarHBondContact O-N 2.96Å; Q177-V183 HydrophobicContact CB-CB 4.09Å; Q177-V183 HydrophobicContact CB-CG2 3.82Å; Q177-V183 HydrophobicContact CG-CG2 4.43Å; Q177-V183 PolarHBondContact O-N 3.02Å; Q177-V183 VanDerWaalsContact O-N 3.17Å
178I88.3Confident86.1Confident43 Ų4364 Ų6422%0.22133%0.325CS..Hα-helixtrans-68.3-46.8175-62.5164.1000110.4L174 Q175 A176 M180 K181 P185 A188L174-I178 HydrophobicContact CG-CD1 4.41Å; L174-I178 WeakPolarHBondContact O-CG1 3.44Å; L174-I178 PolarHBondContact O-N 3.49Å; L174-I178 VanDerWaalsContact O-N 3.08Å; Q175-I178 PolarHBondContact O-N 3.48Å; Q175-I178 VanDerWaalsContact O-N 3.15Å; A176-I178 VanDerWaalsContact C-N 3.34Å; A176-I178 PolarHBondContact O-N 3.37Å; I178-M180 VanDerWaalsContact C-N 3.28Å; I178-M180 PolarHBondContact O-N 3.03Å; I178-K181 PolarHBondContact O-N 3.13Å; I178-P185 HydrophobicContact CG2-CB 4.36Å; I178-A188 HydrophobicContact CD1-CB 3.53Å; I178-A188 HydrophobicContact CG1-CB 3.93Å
179V86.2Confident85.5Confident66 Ų6664.5 Ų64.540%0.433%0.33SS..Hα-helixtrans-61.6-38.5179.7173.40000111.1M141 Q175 A176 K181M141-V179 HydrophobicContact CE-CG1 3.91Å; M141-V179 HydrophobicContact SD-CB 4.1Å; M141-V179 HydrophobicContact SD-CG1 3.77Å; Q175-V179 WeakPolarHBondContact O-CG2 3.22Å; Q175-V179 PolarHBondContact O-N 3.44Å; A176-V179 PolarHBondContact O-N 2.92Å; V179-K181 PolarHBondContact O-N 2.94Å
180M84.5Confident84.9Confident57 Ų5764.9 Ų64.928%0.28134%0.339SS..THydrogen-bonded Turntrans-75.9-1.8174.7-70.6-162.1169.300114.6M141 M145 A176 I178 I182M141-M180 HydrophobicContact CB-CE 3.43Å; M141-M180 VanDerWaalsContact CB-CE 3.43Å; M141-M180 HydrophobicContact CG-CE 3.41Å; M141-M180 VanDerWaalsContact CG-CE 3.41Å; M141-M180 HydrophobicContact CG-CG 4.42Å; M141-M180 WeakPolarHBondContact O-CE 3.43Å; M141-M180 HydrophobicContact SD-CE 3.91Å; M141-M180 HydrophobicContact SD-CG 3.86Å; M145-M180 HydrophobicContact CG-CE 4.19Å; M145-M180 HydrophobicContact CG-SD 3.8Å; A176-M180 WeakPolarHBondContact O-CB 3.3Å; A176-M180 VanDerWaalsContact O-CG 3.3Å; A176-M180 WeakPolarHBondContact O-CG 3.16Å; A176-M180 PolarHBondContact O-N 3.34Å; I178-M180 VanDerWaalsContact C-N 3.28Å; I178-M180 PolarHBondContact O-N 3.03Å; M180-I182 HydrophobicContact CB-CD1 3.74Å; M180-I182 HydrophobicContact CB-CG1 3.76Å; M180-I182 HydrophobicContact CG-CD1 4.43Å; M180-I182 PolarHBondContact O-N 3.41Å; M180-I182 HydrophobicContact SD-CD1 3.83Å
181K84.6Confident83.9Confident189 Ų18968.6 Ų68.682%0.82235%0.352SS*.THydrogen-bonded Turntrans56.528.2-174.1-58.4-177.1170.8171.90113.6Q177 I178 V179Q177-K181 PolarHBondContact O-N 3.25Å; I178-K181 PolarHBondContact O-N 3.13Å; V179-K181 PolarHBondContact O-N 2.94Å
182I85.7Confident83Confident109 Ų10967.4 Ų67.456%0.55935%0.353SS*.SBendtrans-78.4-39.5172-61.1170.4000109.3Q177 M180Q177-I182 HydrophobicContact CB-CB 4.39Å; Q177-I182 PolarHBondContact O-N 2.96Å; M180-I182 HydrophobicContact CB-CD1 3.74Å; M180-I182 HydrophobicContact CB-CG1 3.76Å; M180-I182 HydrophobicContact CG-CD1 4.43Å; M180-I182 PolarHBondContact O-N 3.41Å; M180-I182 HydrophobicContact SD-CD1 3.83Å
183V85.5Confident81.6Confident23 Ų2372.5 Ų72.514%0.13938%0.378CS..SBendtrans-118.4131.4179.6175.70000109.7Q177 V187 A188Q177-V183 HydrophobicContact CB-CB 4.09Å; Q177-V183 HydrophobicContact CB-CG2 3.82Å; Q177-V183 HydrophobicContact CG-CG2 4.43Å; Q177-V183 PolarHBondContact O-N 3.02Å; Q177-V183 VanDerWaalsContact O-N 3.17Å; V183-V187 HydrophobicContact CG1-CB 4.14Å; V183-V187 HydrophobicContact CG1-CG1 4.23Å; V183-A188 HydrophobicContact CG1-CB 4.13Å
184D85.1Confident79.7Confident98 Ų9881.9 Ų81.952%0.52441%0.412SS..  trans-68.4135.4175.4-134.3-90000109.8K186 V187 A188D184-K186 PolarHBondContact O-N 3.21Å; D184-V187 HydrophobicContact CB-CB 4.41Å; D184-V187 HydrophobicContact CB-CG2 3.98Å; D184-V187 WeakPolarHBondContact O-CA 3.5Å; D184-V187 WeakPolarHBondContact O-CB 3.23Å; D184-V187 PolarHBondContact O-N 2.96Å; D184-A188 PolarHBondContact O-N 3.32Å
185P80.8Confident77.4Confident70 Ų7086 Ų8646%0.45544%0.443SS..Hα-helixtrans-56.4-31.4-17821.6-33.9000112.5I178 A188 I189I178-P185 HydrophobicContact CG2-CB 4.36Å; P185-A188 PolarHBondContact O-N 2.84Å; P185-I189 WeakPolarHBondContact O-CD1 3.29Å; P185-I189 VanDerWaalsContact O-CG1 3.26Å; P185-I189 WeakPolarHBondContact O-CG1 3.42Å; P185-I189 PolarHBondContact O-N 2.87Å
186K81.3Confident75.3Confident167 Ų16791 Ų9173%0.72647%0.466SS*.Hα-helixtrans-64.4-39.4175.2-63.2-179-177.1176.80112.5D184 A190D184-K186 PolarHBondContact O-N 3.21Å; K186-A190 PolarHBondContact O-N 3.28Å
187V82.8Confident73Confident70 Ų7098 Ų9842%0.42450%0.504SS..Hα-helixtrans-69.4-42.2177.7177.20000110V183 D184 I189 A190 M191V183-V187 HydrophobicContact CG1-CB 4.14Å; V183-V187 HydrophobicContact CG1-CG1 4.23Å; D184-V187 HydrophobicContact CB-CB 4.41Å; D184-V187 HydrophobicContact CB-CG2 3.98Å; D184-V187 WeakPolarHBondContact O-CA 3.5Å; D184-V187 WeakPolarHBondContact O-CB 3.23Å; D184-V187 PolarHBondContact O-N 2.96Å; V187-I189 PolarHBondContact O-N 3.42Å; V187-A190 WeakPolarHBondContact O-CB 3.48Å; V187-A190 PolarHBondContact O-N 3.23Å; V187-A190 VanDerWaalsContact O-N 3.14Å; V187-M191 HydrophobicContact CG1-CE 3.91Å; V187-M191 HydrophobicContact CG1-SD 4.45Å; V187-M191 WeakPolarHBondContact O-CG 3.43Å; V187-M191 PolarHBondContact O-N 2.91Å
188A78Confident70.4Confident2 Ų2103.2 Ų103.22%0.01753%0.528CS..Hα-helixtrans-59.6-43.8176.800000112.6L174 I178 V183 D184 P185 A190 M191 L192L174-A188 HydrophobicContact CD1-CB 3.81Å; L174-A188 HydrophobicContact CD2-CB 4.21Å; L174-A188 HydrophobicContact CG-CB 4.12Å; I178-A188 HydrophobicContact CD1-CB 3.53Å; I178-A188 HydrophobicContact CG1-CB 3.93Å; V183-A188 HydrophobicContact CG1-CB 4.13Å; D184-A188 PolarHBondContact O-N 3.32Å; P185-A188 PolarHBondContact O-N 2.84Å; A188-A190 VanDerWaalsContact C-N 3.3Å; A188-A190 PolarHBondContact O-N 3.41Å; A188-M191 WeakPolarHBondContact O-CB 3.47Å; A188-M191 PolarHBondContact O-N 2.78Å; A188-M191 VanDerWaalsContact O-N 3.16Å; A188-L192 WeakPolarHBondContact O-CG 3.34Å; A188-L192 PolarHBondContact O-N 3.23Å; A188-L192 VanDerWaalsContact O-N 3.08Å
189I76Confident68.5Low102 Ų102107.5 Ų107.552%0.52355%0.55SS..Hα-helixtrans-62.5-39.2175.8-65.3162.4000111.1P185 V187 M191 L192 N193P185-I189 WeakPolarHBondContact O-CD1 3.29Å; P185-I189 VanDerWaalsContact O-CG1 3.26Å; P185-I189 WeakPolarHBondContact O-CG1 3.42Å; P185-I189 PolarHBondContact O-N 2.87Å; V187-I189 PolarHBondContact O-N 3.42Å; I189-M191 VanDerWaalsContact C-N 3.31Å; I189-M191 PolarHBondContact O-N 3.44Å; I189-L192 PolarHBondContact O-N 2.76Å; I189-N193 PolarHBondContact O-N 3.01Å; I189-N193 PolarHBondContact O-ND2 3.31Å
190A75.8Confident66.6Low54 Ų54109.4 Ų109.445%0.44656%0.563SS.*Hα-helixtrans-66.8-31.8176.700000112.7K186 V187 A188 R194K186-A190 PolarHBondContact O-N 3.28Å; V187-A190 WeakPolarHBondContact O-CB 3.48Å; V187-A190 PolarHBondContact O-N 3.23Å; V187-A190 VanDerWaalsContact O-N 3.14Å; A188-A190 VanDerWaalsContact C-N 3.3Å; A188-A190 PolarHBondContact O-N 3.41Å; A190-R194 PolarHBondContact O-N 3.43Å
191M68.8Low65Low115 Ų115112.2 Ų112.257%0.56759%0.586SS**Hα-helixtrans-70.5-39.6174.9-71.1-179.8170.900112.2V187 A188 I189 N193 R194V187-M191 HydrophobicContact CG1-CE 3.91Å; V187-M191 HydrophobicContact CG1-SD 4.45Å; V187-M191 WeakPolarHBondContact O-CG 3.43Å; V187-M191 PolarHBondContact O-N 2.91Å; A188-M191 WeakPolarHBondContact O-CB 3.47Å; A188-M191 PolarHBondContact O-N 2.78Å; A188-M191 VanDerWaalsContact O-N 3.16Å; I189-M191 VanDerWaalsContact C-N 3.31Å; I189-M191 PolarHBondContact O-N 3.44Å; M191-N193 VanDerWaalsContact C-N 3.31Å; M191-N193 PolarHBondContact O-N 3.05Å; M191-R194 PolarHBondContact O-N 2.96Å
192L68.1Low63.2Low89 Ų89108 Ų10847%0.46659%0.586SS.*Hα-helixtrans-68.4-28.5179.1-69.7173.9000113.4Y171 L174 A188 I189Y171-L192 HydrophobicContact CD1-CD2 4.09Å; Y171-L192 HydrophobicContact CE1-CD1 4.2Å; Y171-L192 HydrophobicContact CE1-CD2 3.37Å; Y171-L192 HydrophobicContact CE1-CG 4.43Å; L174-L192 HydrophobicContact CD2-CD1 3.99Å; L174-L192 HydrophobicContact CD2-CD2 3.84Å; L174-L192 HydrophobicContact CD2-CG 3.82Å; A188-L192 WeakPolarHBondContact O-CG 3.34Å; A188-L192 PolarHBondContact O-N 3.23Å; A188-L192 VanDerWaalsContact O-N 3.08Å; I189-L192 PolarHBondContact O-N 2.76Å
193N60.4Low61.6Low126 Ų126111.2 Ų111.267%0.67460%0.601SS**THydrogen-bonded Turntrans-92.6-5.9-179.5-73.4-36.9000114.3I189 M191 S195I189-N193 PolarHBondContact O-N 3.01Å; I189-N193 PolarHBondContact O-ND2 3.31Å; M191-N193 VanDerWaalsContact C-N 3.31Å; M191-N193 PolarHBondContact O-N 3.05Å; N193-S195 PolarHBondContact O-N 2.9Å
194R50.4Low60.2Low205 Ų205115.4 Ų115.477%0.77463%0.629SS**SBendtrans-78.692.6170.6-85.2-169.5-165.5-156.83.9109.3A190 M191 H196A190-R194 PolarHBondContact O-N 3.43Å; M191-R194 PolarHBondContact O-N 2.96Å; R194-H196 PolarHBondContact O-N 3.42Å
195S40.7Very low58.2Low109 Ų109118.9 Ų118.976%0.76265%0.647SS**  trans-49.9135.5163.3-630000110N193 D197N193-S195 PolarHBondContact O-N 2.9Å; S195-D197 PolarHBondContact O-N 3.24Å
196H42.1Very low56.4Low156 Ų156124.1 Ų124.172%0.72267%0.666SS**SBendtrans-56.825.4-167.9-176.673.7000117.7R194R194-H196 PolarHBondContact O-N 3.42Å
197D41.4Very low54.5Low147 Ų147122.9 Ų122.979%0.78667%0.667SS**  trans-109.40.9-168.6-151.1-109.7000115.6S195S195-D197 PolarHBondContact O-N 3.24Å
198Q33.1Very low52.7Low171 Ų171126.3 Ų126.380%0.79969%0.688SS**  trans-138.879.4179.6-73.3-178.844.700112.4
199I47.1Very low51.3Low132 Ų132130.1 Ų130.168%0.67772%0.715SS**  trans-111.1103.3154-55.2171.5000105.9
200P47.2Very low50Low106 Ų106134.2 Ų134.269%0.68873%0.734SS**  trans-60.2134.5166.7-13.726.9000108.2A202P200-A202 PolarHBondContact O-N 3.31Å
201P49.4Very low48.5Very low117 Ų117142.2 Ų142.276%0.7675%0.753SS**  trans-58128.917523.5-31000109M203P201-M203 PolarHBondContact O-N 2.99Å
202A46.8Very low47.3Very low100 Ų100141.6 Ų141.683%0.82677%0.766SS**  trans-54.8113.5171.400000108.2P200P200-A202 PolarHBondContact O-N 3.31Å
203M53.6Low46.6Very low176 Ų176142.2 Ų142.287%0.86778%0.775SS**  trans-63.8135.1170.5-71-176.6-82.600108.3P201P201-M203 PolarHBondContact O-N 2.99Å
204P54.9Low46.1Very low112 Ų112142.1 Ų142.173%0.72778%0.779SS**  trans-69.1145.1174.929.7-32.1000110E206P204-E206 PolarHBondContact O-N 3.16Å; P204-E206 VanDerWaalsContact O-N 3.14Å
205D42.9Very low46.1Very low170 Ų170140.8 Ų140.891%0.90978%0.784SS**  trans-41.8112.1170.1-67.2-110.9000112.5
206E44.3Very low46.2Very low181 Ų181140.4 Ų140.485%0.84679%0.787SS**  trans-116.7110.1159.3-109.7-174.490.600109.5P204 T208P204-E206 PolarHBondContact O-N 3.16Å; P204-E206 VanDerWaalsContact O-N 3.14Å; E206-T208 PolarHBondContact O-N 3.44Å
207D41.6Very low46.3Very low140 Ų140142.7 Ų142.775%0.74980%0.795SS**  trans-33.197.9162.6-169.4-96.4000111.8S209D207-S209 PolarHBondContact O-N 2.84Å
208T44.7Very low46.7Very low142 Ų142141.4 Ų141.487%0.87180%0.795SS**  trans-82.479.7165.5-590000108.3E206E206-T208 PolarHBondContact O-N 3.44Å
209S48Very low47.2Very low83 Ų83136.9 Ų136.958%0.5879%0.794SS**  trans-50142160.2-142.50000111.3D207D207-S209 PolarHBondContact O-N 2.84Å
210M49.1Very low47.4Very low187 Ų187138.4 Ų138.492%0.92180%0.798SS**  trans-26.3128.2167.3-66.7166.617500114.4
211R44.6Very low47.5Very low223 Ų223139.8 Ų139.884%0.84280%0.798SS**  trans-146.290.5160.4-162.5165.1163179.8-6.5112.8P213R211-P213 HydrophobicContact CG-CG 4.42Å
212A44Very low47.1Very low102 Ų102141.1 Ų141.184%0.84380%0.799SS**  trans-84.7135145.700000108.3
213P53.4Low46.8Very low101 Ų101144 Ų14466%0.65680%0.795SS**  trans-125.9126.8155.129-12.6000111.3R211R211-P213 HydrophobicContact CG-CG 4.42Å
214V49.6Very low46.1Very low124 Ų124140.7 Ų140.775%0.75279%0.785SS**  trans-84.1137.1172.553.90000109.8
215M49.8Very low45.7Very low177 Ų177141.3 Ų141.387%0.87279%0.787SS**  trans37.7125.8155.6-60.8-168.4-156.400121.2
216A42.7Very low46.2Very low101 Ų101140.5 Ų140.584%0.83578%0.777SS**  171.5131.4103.200000112.3
217F44.5Very low46.5Very low205 Ų205138 Ų13890%0.89978%0.775SS**  trans-71.3-171.3172.1-74.7-93.8000112.9
218P49.4Very low47.1Very low120 Ų120134.6 Ų134.678%0.77977%0.772SS**  cis-136.7174.6-21.919.55000115
219G43.7Very low47.9Very low75 Ų75134 Ų13477%0.77377%0.771SS**  trans104.5143.7148.100000115.4
220H51.4Low48Very low164 Ų164138 Ų13876%0.75979%0.785SS**  cis-170.6151.9-1.8-167.6-113.1000105.3
221I50.1Low48.6Very low136 Ų136133 Ų13370%0.69777%0.774SS**  trans63.7117.9147.355.2173.2000125.8
222N41Very low49.2Very low145 Ų145128.6 Ų128.678%0.77577%0.774SS**  103.692.7112.2-158.843.7000121.7
223Q39.3Very low49.4Very low161 Ų161127.1 Ų127.175%0.75277%0.769SS**  24.9128.1122.4-121.6-179.598.900123.5
224T40.2Very low49.5Very low106 Ų106128.7 Ų128.765%0.6577%0.772SS**  trans83.5146.3133.224.50000124.5
225T45.7Very low49.7Very low125 Ų125130.5 Ų130.577%0.76777%0.772SS**  trans91142.9163.971.20000116.1
226H53.1Low49.7Very low152 Ų152129.4 Ų129.470%0.70477%0.766SS**  cis-173.8146.928.5-143.7-70000110.7
227V50.8Low50.4Low130 Ų130132.6 Ų132.679%0.78877%0.766SS**  trans43.3148.3148.3-68.80000122.8
228G53.3Low50.7Low68 Ų68127.9 Ų127.970%0.70176%0.756SS**  cis166.3-166.122.800000110.1
229P62.3Low50.5Low129 Ų129129.4 Ų129.484%0.83876%0.756SS**  -131.3169-111.339.6-24.8000116.5
230N50Low50.6Low166 Ų166130.7 Ų130.789%0.88875%0.753SS**  trans-168.1152.1130.2-138.2-18000114
231A62.1Low50.3Low82 Ų82128.3 Ų128.368%0.67876%0.755SS**  trans-121.7-155.7-162.500000111.5
232P57.7Low50.3Low131 Ų131128.1 Ų128.185%0.85176%0.763SS**  -135.2-179.5-73.637.3-19.8000114.4
233G48.5Very low50.4Low71 Ų71123.9 Ų123.973%0.73275%0.753SS**  trans127.4134.6159.600000112.2
234N53.8Low51.1Low134 Ų134121 Ų12172%0.71775%0.751SS**  cis-165.3137.88.1-14131.8000105.9
235H54.3Low51.8Low162 Ų162124.3 Ų124.375%0.7576%0.759SS**  trans54.3139139-66.662.8000119.3
236M51.1Low52.1Low155 Ų155126.3 Ų126.376%0.76476%0.764SS**  cis178.6120.49.2173.780.6173.100105.3
237M56.1Low52.6Low167 Ų167124.4 Ų124.482%0.82377%0.765SS**  trans45.6157.5140.5-63.2-73.9-93.300123.4
238P50.3Low53.1Low107 Ų107123.7 Ų123.770%0.69576%0.763SS**  trans-113-175.2-142.843.1-33.7000114.7
239I47Very low53.3Low152 Ų152126.5 Ų126.578%0.77977%0.772SS**  trans119.9133.3147-138.4-178.2000116.8
240S44.4Very low52.7Low102 Ų102123.3 Ų123.371%0.71376%0.763SS**  trans75.9122.8153.7-58.60000121.2
241S45.4Very low53Low114 Ų114125.7 Ų125.780%0.79777%0.765SS**  trans-33.1166.5155.4-29.20000114.5
242P50.4Low52.7Low132 Ų132126.8 Ų126.886%0.85777%0.766SS**  cis-151.8-171.638.637.7-13.4000115.5
243G43.7Very low52.6Low56 Ų56128.4 Ų128.458%0.57776%0.762SS**  trans143.7107.9151.700000117.4
244S53.1Low52.9Low101 Ų101133.8 Ų133.871%0.70677%0.767SS**  trans53.2148134.4180000118.7
245H54.5Low52.6Low175 Ų175131.2 Ų131.281%0.8177%0.772SS**  -168.8137.564.7-67.875.4000109.3
246L53.3Low52.2Low167 Ų167127.1 Ų127.187%0.87477%0.773SS**  trans-81.1-161163.2-64154.7000109.5
247P61.7Low52.4Low112 Ų112126.2 Ų126.273%0.72778%0.779SS**  cis-144.5-141.3-1.931.4-2.1000112.7
248P62Low52.2Low114 Ų114121.7 Ų121.774%0.7478%0.776SS**  -132.5175.8-87.742.2-24.6000114.7
249S58.7Low52.7Low128 Ų128122.2 Ų122.290%0.89578%0.779SS**  trans174.5128.8150.7-75.30000107.5
250G48.9Very low53.5Low62 Ų62121.9 Ų121.964%0.63978%0.783SS**  cis122.785.59.900000110.3
251F57.1Low53.8Low215 Ų215122.5 Ų122.594%0.94379%0.785SS**  trans-154.8133.9156.7-84.6-70.3000112.1
252P55.4Low54Low106 Ų106126 Ų12669%0.68879%0.789SS**  trans-111.6166.5-175.138-26.4000114.2
253H54.5Low54.4Low165 Ų165125.1 Ų125.176%0.76478%0.783SS**  trans153.2106.1146.1-82.9-161.7000108.5
254H56.2Low54.7Low184 Ų184129.5 Ų129.585%0.85279%0.793SS**  110.411673.5-104.6-73.6000110.6
255G47.5Very low54.5Low80 Ų80132.2 Ų132.283%0.82579%0.794SS**  trans125.190.5153.200000117.9
256G45.5Very low54.3Low75 Ų75133.8 Ų133.877%0.77380%0.799SS**  trans-88.7-154.2153.600000110.9
257P55.3Low53.8Low137 Ų137129.6 Ų129.689%0.8978%0.784SS**  cis-129173.3-25.238.1-21.9000112.3
258G51.2Low53.1Low72 Ų72129.3 Ų129.374%0.74278%0.78SS**  trans168.3111.9162.200000117.3
259P60.3Low52.3Low117 Ų117132.3 Ų132.376%0.7678%0.784SS**  trans-103.4135161.534.8-24.7000110.5
260V63.4Low51.4Low145 Ų145133.2 Ų133.288%0.87977%0.774SS**  trans-175.8162.3168-90.40000111.1
261P51.8Low51.6Low116 Ų116136.1 Ų136.175%0.75378%0.779SS**  -127.8-178.8-105.421.67.3000113.4
262H49.8Very low51.1Low188 Ų188130.9 Ų130.987%0.8777%0.766SS**  trans-68.1155.4168-53.5109.5000112.6
263P59Low50.3Low112 Ų112135 Ų13573%0.72778%0.776SS**  trans-131.4143.6149.734-18.9000115.3
264N48.9Very low49.7Very low149 Ų149137.8 Ų137.880%0.79778%0.78SS**  trans83.681.7145.4-69.87.3000121.6
265H48.4Very low49.1Very low158 Ų158132.8 Ų132.873%0.73177%0.766SS**  -26127.8125.2-140.5-114.9000115S267H265-S267 PolarHBondContact ND1-OG 3.03Å; H265-S267 VanDerWaalsContact ND1-OG 3.08Å
266F52Low49.1Very low207 Ų207137.3 Ų137.391%0.90877%0.766SS**  trans-117.8116.7149.1-117.2-87.9000107.8
267S41.2Very low48.9Very low80 Ų80138.1 Ų138.156%0.55977%0.765SS**  trans-73138.1-175-620000111.9H265H265-S267 PolarHBondContact ND1-OG 3.03Å; H265-S267 VanDerWaalsContact ND1-OG 3.08Å
268V48.2Very low48.7Very low105 Ų105136.7 Ų136.764%0.63676%0.756SS**  85.2115.798.2168.10000114.8
269E44Very low48.3Very low177 Ų177142.6 Ų142.683%0.82776%0.764SS**  167.5142.4125.3-103.7171.465.900108.4
270Q40.1Very low47.6Very low148 Ų148140.7 Ų140.769%0.69277%0.765SS**  cis176.1134-25.6-122.1-174.942.400106.3
271V54.4Low47Very low122 Ų122142.1 Ų142.174%0.73977%0.765SS**  trans59.6162.5146.5-92.10000121.2
272P45.7Very low46.7Very low105 Ų105145.5 Ų145.568%0.68277%0.771SS**  -145.5159.6-57.636.1-15000117
273Q39.8Very low46.1Very low192 Ų192145.5 Ų145.590%0.89777%0.771SS**  38.4117.9125-143.1170.381.900121.9
274R41.5Very low45.3Very low225 Ų225148.9 Ų148.985%0.84977%0.774SS**  trans171.2148.8143.4-96.5-171.987.2154.32.3106.8
275S44.2Very low45Very low79 Ų79150.5 Ų150.555%0.55278%0.775SS**  cis179.6144.4-11.1-950000106
276Q46Very low45Very low175 Ų175153.8 Ų153.882%0.81878%0.782SS**  trans80.4123147.2-66.6168.136.200121.3
277A42.1Very low45Very low91 Ų91148.9 Ų148.975%0.75277%0.771SS**  trans-65.9-176.3156.100000110.9
278P51.6Low45Very low107 Ų107152.6 Ų152.670%0.69579%0.785SS**  cis-147.7176.12439.5-15.7000118.7
279Q42.1Very low45.2Very low196 Ų196155.4 Ų155.492%0.91680%0.796SS**  trans41.4123.2145.1-70.2177.6-27.700121.5
280G44.9Very low46.1Very low77 Ų77155.3 Ų155.379%0.79480%0.798SS**  trans-172.8113160.600000113.3
281M51.7Low47.5Very low176 Ų176153.8 Ų153.887%0.86780%0.801SS**  trans-52.4139.9178.2-58171.3-17700114.5
282Q45.5Very low47.7Very low187 Ų187154 Ų15487%0.87480%0.804SS**  174.4129.2109.4-99.1153.993.900114
283Q36.1Very low48.2Very low188 Ų188156.7 Ų156.788%0.87981%0.813SS**  trans-58134.8162-76.9161.6-6.600111.9
284K44.1Very low48.7Very low183 Ų183150.7 Ų150.780%0.79680%0.803SS**  trans-16195.8148.4-119.2164-178.7173.70108.2
285F42.4Very low49.7Very low183 Ų183150 Ų15080%0.80381%0.806SS**  53.497.2102.4-102.4-89.2000112.9
286Y48.2Very low51Low226 Ų226151.7 Ų151.789%0.88682%0.816SS**  trans-124.8115.1151.5-80.2-82.2000108.5
287P50.4Low51.4Low105 Ų105149.2 Ų149.268%0.68281%0.814SS**  trans-84.1145.5179.532.4-31000111.7
288N42.5Very low51.6Low157 Ų157152 Ų15284%0.8482%0.817SS**  trans-25126.4151.6-126.332000113
289N52Low51.6Low164 Ų164152.9 Ų152.988%0.87783%0.825SS**  trans-161.4123.2141.2-116.23.8000113.2
290M62.2Low52Low175 Ų175149.7 Ų149.786%0.86282%0.819SS**PPolyproline II helixtrans-94.3139.1174.2-167173.1-136.400108
291P70.9Confident52.5Low116 Ų116150.7 Ų150.775%0.75382%0.82SS**PPolyproline II helixtrans-94.5139.5163.831.6-28.1000111.3
292P57.7Low52.2Low126 Ų126147.3 Ų147.382%0.81881%0.811SS**PPolyproline II helixtrans-84.9128.9173.133.1-29.4000110G294P292-G294 PolarHBondContact O-N 3.21Å
293N56.1Low52.2Low163 Ų163147.1 Ų147.187%0.87281%0.81SS**  trans-88.1111.2174.7-144.747.2000109.7
294G51.2Low52.7Low66 Ų66144 Ų14468%0.6881%0.809SS**  trans-78.1135.2176.700000112.6P292P292-G294 PolarHBondContact O-N 3.21Å
295F61.9Low52.9Low210 Ų210144.5 Ų144.592%0.92181%0.814SS**  trans-74.5145166.4-71.4-95.9000111.1
296P72.2Confident53.6Low115 Ų115141.5 Ų141.575%0.74781%0.813SS**  trans-104.4143.2146.333.1-28.1000111.1
297P53.8Low53.7Low122 Ų122136.6 Ų136.679%0.79281%0.809SS**  trans-89141.3178.334.1-31000112.9
298N45.7Very low53.4Low150 Ų150141.9 Ų141.980%0.80282%0.817SS**  trans30.5118.4142-126.226.5000119.3
299S51.6Low53.6Low125 Ų125141.6 Ų141.687%0.87482%0.815SS**  trans-143.1120.3148.8-75.90000110.5
300V51.3Low53.4Low129 Ų129143.6 Ų143.678%0.78281%0.812SS**  trans-58.4134.8-178.3166.30000112.6
301A54.1Low53.4Low98 Ų98140.8 Ų140.881%0.8181%0.807SS**  trans-148.5135.1149.200000110.3
302P46.9Very low52.1Low105 Ų105141.1 Ų141.168%0.68281%0.812SS**  trans-100.3157.6-165.537.8-32.5000114.4
303Q44.6Very low51.5Low183 Ų183138.8 Ų138.886%0.85581%0.811SS**  trans51.6122.6144.8-69.1176.114.700119.4
304S47.8Very low50.9Low122 Ų122139.8 Ų139.885%0.85381%0.81SS**  178.5105.9120-74.30000110.6
305Q46.8Very low50.7Low194 Ų194143.6 Ų143.691%0.90782%0.82SS**  trans-87153.2151.7-75.9-176-42.700108.1
306P58.6Low50.1Low121 Ų121142.2 Ų142.279%0.78682%0.817SS**  -146.3-168.911844.4-28.5000111.5
307P49.7Very low49.6Very low122 Ų122142.1 Ų142.179%0.79282%0.816SS**  -120.2-177.3-103.326-1.3000113.5
308Y43.5Very low49.8Very low217 Ų217142 Ų14285%0.85182%0.815SS**  trans-45.7144.4174.3-77.6-34.9000116
309D47.3Very low49.9Very low151 Ų151140.9 Ų140.981%0.80781%0.814SS**  trans-146.7119.6149.4-157.6-104.4000110.9
310Y46.6Very low49.9Very low206 Ų206143.3 Ų143.381%0.80881%0.814SS**  trans-100.3136.3166.8-96.8-90.3000107.7
311P62.2Low49.8Very low115 Ų115142.7 Ų142.775%0.74782%0.815SS**  trans-113.8116.6156.525.2-10.8000111.7
312S43.8Very low49.4Very low124 Ų124141.3 Ų141.387%0.86781%0.81SS**  trans-81.9134.4156.5-59.90000108.4
313G45Very low49.2Very low77 Ų77145.5 Ų145.579%0.79482%0.821SS**  trans177.599.1175.800000114.5
314Q44.1Very low49.2Very low184 Ų184145.4 Ų145.486%0.8682%0.821SS**  trans-44.5143.3171.2-61.7168.72000114.1
315T47Very low49.2Very low145 Ų145144.4 Ų144.489%0.8981%0.811SS**  trans-168.6145.3133.510.40000111.8
316Q49.8Very low49.3Very low181 Ų181144.1 Ų144.185%0.84681%0.81SS**  trans-82.7171.5-157.7-74.3172.559.300115.8
317P60.6Low49.1Very low114 Ų114146.7 Ų146.774%0.7481%0.809SS**  trans-100.5-177.7-169.740.2-32.4000113.6
318P58Low49.3Very low118 Ų118148.1 Ų148.177%0.76681%0.809SS**  trans-132.4130.4145.430.5-13.6000115
319T48.2Very low49.7Very low127 Ų127142.3 Ų142.378%0.77980%0.798SS**  trans6132.2138.657.80000121.1
320M52.8Low49.8Very low176 Ų176142.4 Ų142.487%0.86780%0.799SS**  -167.5106.4130-83.1-123176.400108.5
321S47.6Very low49.9Very low116 Ų116135.5 Ų135.581%0.81179%0.79SS**  84.5113.589.2-60.90000113.8
322G45.8Very low50Low69 Ų69136 Ų13671%0.71179%0.794SS**  trans15196.9156.800000117.7
323Q44.2Very low50.5Low193 Ų193136 Ų13690%0.90279%0.79SS**  trans73.797.1149.9-111.678.725.600121.5
324Q44.6Very low50.8Low182 Ų182139.7 Ų139.785%0.8579%0.792SS**  trans-116.2164.2136.9-114.5178.340.100106.3
325P47.3Very low51.2Low101 Ų101139.5 Ų139.566%0.65679%0.793SS**  cis-150.6168.746.737.8-15.7000116.3
326H49.1Very low51Low188 Ų188137.1 Ų137.187%0.8779%0.788SS**  trans-164.6126.5131.8-109.3107000113
327F53.8Low51Low175 Ų175134.8 Ų134.877%0.76879%0.786SS**  trans-47142.2166.9-99.4-120.1000114.4P329F327-P329 HydrophobicContact CD1-CG 4.09Å; F327-P329 HydrophobicContact CE1-CG 4.3Å
328N55Low50.4Low151 Ų151139 Ų13981%0.80779%0.787SS**  -158.6107123.5-14746.8000112.1
329P50.9Low50Low95 Ų95139.8 Ų139.862%0.61779%0.792SS**  trans-103.5111.1165.232.9-20.9000109.1F327F327-P329 HydrophobicContact CD1-CG 4.09Å; F327-P329 HydrophobicContact CE1-CG 4.3Å
330N50.4Low49.6Very low154 Ų154142.7 Ų142.782%0.82480%0.797SS**  trans-149.3120.5164.4-137-30.9000110.4
331G47Very low49.3Very low60 Ų60145.2 Ų145.262%0.61980%0.797SS**  trans-70.2176.9176.900000112.6
332P65.7Low49.8Very low127 Ų127145 Ų14583%0.82579%0.793SS**  -133.7150.989.435.4-25.5000113.5
333P53.4Low50.4Low123 Ų123147.8 Ų147.880%0.79980%0.798SS**  trans-99.8110.8166.733.9-21.9000109.3
334N52.3Low50.4Low155 Ų155143.1 Ų143.183%0.82979%0.793SS**  trans-176.5112.5152.6-128.61.1000110.4
335M51.2Low50.3Low180 Ų180138.7 Ų138.789%0.88779%0.787SS**  -172.995.1130-102.1178.7-168.900107.8V337M335-V337 PolarHBondContact O-N 2.91Å
336A43Very low50.1Low95 Ų95142.7 Ų142.779%0.78580%0.797SS**  trans-6297.616500000109.4R338A336-R338 PolarHBondContact O-N 3.47Å
337V49.6Very low49.9Very low131 Ų131141.5 Ų141.579%0.79480%0.795SS**  trans-97.785164179.90000108.2M335M335-V337 PolarHBondContact O-N 2.91Å
338R47.7Very low49.7Very low203 Ų203137.4 Ų137.477%0.76679%0.785SS**  trans22.4120.7141.4-55.6173.9108.8-173.54.2116.7A336 Q340A336-R338 PolarHBondContact O-N 3.47Å; R338-Q340 PolarHBondContact O-N 3.01Å; R338-Q340 VanDerWaalsContact O-N 3.14Å
339P49.7Very low49.3Very low134 Ų134135.9 Ų135.987%0.8778%0.783SS**  trans-70.4107.7159.627.8-27.2000108.5R341P339-R341 PolarHBondContact O-N 3.48Å
340Q41Very low49.2Very low188 Ų188135.2 Ų135.288%0.87979%0.786SS**  trans-71.9114.1169.2-82.5-1631700109.4R338R338-Q340 PolarHBondContact O-N 3.01Å; R338-Q340 VanDerWaalsContact O-N 3.14Å
341R46.1Very low49.2Very low229 Ų229135.1 Ų135.186%0.86478%0.784SS**PPolyproline II helixtrans-62.6143.7169.1-164.7176.3-162.9-176.93.8109.8P339P339-R341 PolarHBondContact O-N 3.48Å
342P56.9Low49Very low112 Ų112136 Ų13673%0.72779%0.785SS**PPolyproline II helixtrans-66140.6-17826.8-34.6000111.3A344P342-A344 PolarHBondContact O-N 2.84Å
343P58.4Low48Very low128 Ų128133.9 Ų133.983%0.83178%0.779SS**PPolyproline II helixtrans-73.7120.2164.529.1-29.9000109.3
344A46.1Very low47.7Very low94 Ų94132 Ų13278%0.77777%0.774SS**PPolyproline II helixtrans-65.5145164.300000110.5P342P342-A344 PolarHBondContact O-N 2.84Å
345A42.5Very low47.3Very low89 Ų89128.9 Ų128.974%0.73677%0.769SS**  trans58.994.5150.500000118.1
346Q41.8Very low47.2Very low185 Ų185124.6 Ų124.686%0.86476%0.762SS**  trans-134.298.2136.4-72.8-163.656.500109T348Q346-T348 PolarHBondContact O-N 3.46Å
347I45.7Very low47.5Very low163 Ų163124.6 Ų124.684%0.83676%0.762SS**  trans-74.5107.1166.7-62.8168.5000105.6
348T49.2Very low47.4Very low89 Ų89123.5 Ų123.555%0.54676%0.76SS.*  trans-92.3132.1174.2440000110.1Q346 A350Q346-T348 PolarHBondContact O-N 3.46Å; T348-A350 PolarHBondContact O-N 3.24Å
349P47.3Very low47.4Very low119 Ų119123.1 Ų123.177%0.77377%0.77SS**THydrogen-bonded Turntrans-80.338.5-174.634.8-36000112.9
350A48.1Very low47.1Very low81 Ų81120 Ų12067%0.66976%0.762SS**THydrogen-bonded Turntrans-88.9-16.2-179.700000113.3T348T348-A350 PolarHBondContact O-N 3.24Å
351I49.8Very low47.2Very low152 Ų152116.9 Ų116.978%0.77976%0.758SS**SBendtrans-83.1-11.2178.821166.8000113.6
352A44.3Very low46.9Very low79 Ų79113.2 Ų113.265%0.65376%0.755SS**SBendtrans-84.9-15.5-177.500000114.5
353A45.1Very low46.3Very low83 Ų83112.2 Ų112.269%0.68675%0.751SS**SBendtrans-87.1-21.4-175.900000114.2A355A353-A355 VanDerWaalsContact C-N 3.33Å; A353-A355 PolarHBondContact O-N 2.89Å
354A46Very low45.3Very low84 Ų84113.8 Ų113.869%0.69475%0.751SS**G310 helixtrans-79.1-13.5-176.100000113.9A356A354-A356 PolarHBondContact O-N 3.47Å
355A44.4Very low45Very low88 Ų88115.4 Ų115.473%0.72775%0.746SS**G310 helixtrans-84-6-174.200000115A353A353-A355 VanDerWaalsContact C-N 3.33Å; A353-A355 PolarHBondContact O-N 2.89Å
356A49.4Very low45Very low90 Ų90115.7 Ų115.774%0.74475%0.749SS**G310 helixtrans-105.2-1.5-171.700000115.4A354A354-A356 PolarHBondContact O-N 3.47Å
357A49.4Very low45.2Very low95 Ų95109.6 Ų109.679%0.78574%0.735SS**SBendtrans-102.84.5-168.100000116
358S47Very low45.5Very low108 Ų108108.1 Ų108.176%0.75573%0.725SS**  trans-116.757.4-172.940.50000112.7
359M46.8Very low45.5Very low196 Ų196105.1 Ų105.197%0.96671%0.712SS**  trans-110.392.7161-68.3-17095.300109.1
360G43.1Very low46.1Very low68 Ų68106.1 Ų106.170%0.70171%0.706SS**  trans-161.8108.2173.100000109.3
361P44.9Very low46.6Very low123 Ų123109.7 Ų109.780%0.79971%0.709SS**  trans-92.1106.6-171.433.1-28.3000110.5
362N39.8Very low47.3Very low151 Ų151108.3 Ų108.381%0.80770%0.699SS**  trans-177.1122.4136.6-112.7-64.8000114.3
363S43.2Very low48Very low91 Ų91111 Ų11164%0.63670%0.696SS**  trans69.4113.8136.3-74.50000122.9
364L36.9Very low49.2Very low161 Ų161111.1 Ų111.184%0.84369%0.688SS**  trans74.980.6137.6-84.588.5000119
365L41.1Very low50.4Low128 Ų128110.8 Ų110.867%0.6768%0.678SS**  trans-116.990.5148.1-176.264.7000108.1
366A41.9Very low51.6Low95 Ų95111.7 Ų111.779%0.78567%0.67SS**  trans-87.2123.3172.600000108.7
367G46.9Very low52.5Low57 Ų57109.4 Ų109.459%0.58865%0.645SS**SBendtrans131.1-48.2170.400000115.1
368Q50.2Low53.5Low132 Ų132110.5 Ų110.562%0.61764%0.635SS**SBendtrans-91.7-27.2-179.6-74.3178.9-42.800113.1E370 Q371 E372Q368-E370 PolarHBondContact O-N 3.09Å; Q368-Q371 PolarHBondContact O-N 3.45Å; Q368-E372 PolarHBondContact O-N 2.9Å
369G50.5Low54.5Low26 Ų26111.7 Ų111.727%0.26863%0.629SS.*Hα-helixtrans-65.5-23179.800000114.2K373G369-K373 WeakPolarHBondContact O-CA 3.44Å; G369-K373 WeakPolarHBondContact O-CB 3.47Å; G369-K373 WeakPolarHBondContact O-CD 3.36Å; G369-K373 WeakPolarHBondContact O-CG 3.4Å; G369-K373 PolarHBondContact O-N 3.38Å
370E58.5Low55.5Low140 Ų140103.8 Ų103.865%0.65459%0.591SS**Hα-helixtrans-77.6-39.7179.5-102.6147.683.400112.8Q368 K373 V374Q368-E370 PolarHBondContact O-N 3.09Å; E370-K373 PolarHBondContact O-N 3.25Å; E370-V374 WeakPolarHBondContact O-CB 3.43Å; E370-V374 WeakPolarHBondContact O-CG2 3.31Å; E370-V374 PolarHBondContact O-N 3.42Å
371Q59.9Low56.7Low157 Ų157104.8 Ų104.873%0.73458%0.58SS**Hα-helixtrans-71.1-39.8176.1-119.7-176.8200111.6Q368 V374 T375Q368-Q371 PolarHBondContact O-N 3.45Å; Q371-V374 PolarHBondContact O-N 3.5Å; Q371-T375 WeakPolarHBondContact O-CB 3.48Å; Q371-T375 PolarHBondContact O-N 3.24Å; Q371-T375 PolarHBondContact O-OG1 3.36Å
372E64.2Low57.9Low122 Ų122106.1 Ų106.157%0.5758%0.575SS**Hα-helixtrans-64.4-42.9171.1-80.6-179.880.500111.2Q368 V374 T375 L376Q368-E372 PolarHBondContact O-N 2.9Å; E372-V374 PolarHBondContact O-N 3.01Å; E372-T375 PolarHBondContact O-N 3.29Å; E372-L376 WeakPolarHBondContact O-CB 3.49Å; E372-L376 WeakPolarHBondContact O-CD1 3.4Å; E372-L376 PolarHBondContact O-N 2.97Å
373K59.8Low59.2Low136 Ų136101.2 Ų101.259%0.59155%0.549SS*.Hα-helixtrans-59.4-45.5172.3-84.6172.8174-176.80111.6G369 E370 T375 L376 I377G369-K373 WeakPolarHBondContact O-CA 3.44Å; G369-K373 WeakPolarHBondContact O-CB 3.47Å; G369-K373 WeakPolarHBondContact O-CD 3.36Å; G369-K373 WeakPolarHBondContact O-CG 3.4Å; G369-K373 PolarHBondContact O-N 3.38Å; E370-K373 PolarHBondContact O-N 3.25Å; K373-T375 VanDerWaalsContact C-N 3.31Å; K373-T375 PolarHBondContact O-N 2.95Å; K373-L376 PolarHBondContact O-N 3.39Å; K373-I377 HydrophobicContact CB-CD1 4.36Å; K373-I377 WeakPolarHBondContact O-CB 3.32Å; K373-I377 VanDerWaalsContact O-CD1 3.27Å; K373-I377 WeakPolarHBondContact O-CD1 3.31Å; K373-I377 WeakPolarHBondContact O-CG1 3.39Å; K373-I377 PolarHBondContact O-N 3.12Å
374V68.3Low60.6Low85 Ų85100.3 Ų100.352%0.51554%0.543SS..Hα-helixtrans-64-39.1178.6171.30000110.4E370 Q371 E372 I377 M378E370-V374 WeakPolarHBondContact O-CB 3.43Å; E370-V374 WeakPolarHBondContact O-CG2 3.31Å; E370-V374 PolarHBondContact O-N 3.42Å; Q371-V374 PolarHBondContact O-N 3.5Å; E372-V374 PolarHBondContact O-N 3.01Å; V374-I377 PolarHBondContact O-N 3.04Å; V374-M378 VanDerWaalsContact O-CB 3.29Å; V374-M378 WeakPolarHBondContact O-CB 3.48Å; V374-M378 PolarHBondContact O-N 3.47Å
375T71.8Confident62.2Low77 Ų7797.9 Ų97.947%0.47253%0.531SS..Hα-helixtrans-66.9-45.1176.3-53.30000111.2Q371 E372 K373 M378 Q379Q371-T375 WeakPolarHBondContact O-CB 3.48Å; Q371-T375 PolarHBondContact O-N 3.24Å; Q371-T375 PolarHBondContact O-OG1 3.36Å; E372-T375 PolarHBondContact O-N 3.29Å; K373-T375 VanDerWaalsContact C-N 3.31Å; K373-T375 PolarHBondContact O-N 2.95Å; T375-M378 PolarHBondContact O-N 2.88Å; T375-Q379 WeakPolarHBondContact O-CB 3.44Å; T375-Q379 PolarHBondContact O-N 3.43Å
376L69.5Low63.8Low107 Ų10799.7 Ų99.756%0.5654%0.536SS*.Hα-helixtrans-62.2-42.4173.6-95.6133.5000111.7E372 K373 Q379 V380E372-L376 WeakPolarHBondContact O-CB 3.49Å; E372-L376 WeakPolarHBondContact O-CD1 3.4Å; E372-L376 PolarHBondContact O-N 2.97Å; K373-L376 PolarHBondContact O-N 3.39Å; L376-Q379 PolarHBondContact O-N 2.92Å; L376-V380 WeakPolarHBondContact O-CB 3.5Å; L376-V380 VanDerWaalsContact O-CG2 3.3Å; L376-V380 WeakPolarHBondContact O-CG2 3.36Å; L376-V380 PolarHBondContact O-N 3.43Å
377I69.3Low65.1Low43 Ų4399.9 Ų99.922%0.22152%0.52CS..Hα-helixtrans-61.6-44.2175.6-75.6161.9000110.4K373 V374 Q379 V380 L381 L402 L406K373-I377 HydrophobicContact CB-CD1 4.36Å; K373-I377 WeakPolarHBondContact O-CB 3.32Å; K373-I377 VanDerWaalsContact O-CD1 3.27Å; K373-I377 WeakPolarHBondContact O-CD1 3.31Å; K373-I377 WeakPolarHBondContact O-CG1 3.39Å; K373-I377 PolarHBondContact O-N 3.12Å; V374-I377 PolarHBondContact O-N 3.04Å; I377-Q379 VanDerWaalsContact C-N 3.34Å; I377-V380 PolarHBondContact O-N 3.31Å; I377-L381 HydrophobicContact CG2-CD1 4.02Å; I377-L381 PolarHBondContact O-N 2.91Å; I377-L402 HydrophobicContact CG1-CD2 3.92Å; I377-L406 HydrophobicContact CG2-CD1 3.3Å; I377-L406 HydrophobicContact CG2-CD2 4.38Å; I377-L406 HydrophobicContact CG2-CG 4.48Å
378M69.4Low66.2Low118 Ų11897.7 Ų97.758%0.58150%0.495SS*.Hα-helixtrans-69-34.4179.5-162154.871.900111.7V374 T375 L381 Q382V374-M378 VanDerWaalsContact O-CB 3.29Å; V374-M378 WeakPolarHBondContact O-CB 3.48Å; V374-M378 PolarHBondContact O-N 3.47Å; T375-M378 PolarHBondContact O-N 2.88Å; M378-L381 PolarHBondContact O-N 3.49Å; M378-Q382 PolarHBondContact O-N 3.41Å
379Q69.2Low67.5Low133 Ų13394.6 Ų94.662%0.62149%0.492SS*.Hα-helixtrans-70.1-36.8173.7-143.3170.594.400111.8T375 L376 I377 Q382T375-Q379 WeakPolarHBondContact O-CB 3.44Å; T375-Q379 PolarHBondContact O-N 3.43Å; L376-Q379 PolarHBondContact O-N 2.92Å; I377-Q379 VanDerWaalsContact C-N 3.34Å; Q379-Q382 PolarHBondContact O-N 2.84Å
380V67.7Low68.8Low29 Ų29100.6 Ų100.618%0.17652%0.517CS..Hα-helixtrans-66.2-37.7174.3154.50000112.3L376 I377 Q382 L383 I399L376-V380 WeakPolarHBondContact O-CB 3.5Å; L376-V380 VanDerWaalsContact O-CG2 3.3Å; L376-V380 WeakPolarHBondContact O-CG2 3.36Å; L376-V380 PolarHBondContact O-N 3.43Å; I377-V380 PolarHBondContact O-N 3.31Å; V380-Q382 PolarHBondContact O-N 2.91Å; V380-L383 HydrophobicContact CG2-CD1 4.38Å; V380-L383 WeakPolarHBondContact O-CB 3.15Å; V380-L383 PolarHBondContact O-N 3.41Å; V380-I399 HydrophobicContact CB-CD1 3.92Å; V380-I399 HydrophobicContact CG1-CB 4.37Å; V380-I399 HydrophobicContact CG1-CD1 3.34Å; V380-I399 HydrophobicContact CG1-CG1 4.38Å; V380-I399 HydrophobicContact CG1-CG2 3.46Å; V380-I399 VanDerWaalsContact CG1-CG2 3.46Å; V380-I399 HydrophobicContact CG2-CD1 3.3Å
381L68.5Low69.4Low90 Ų9096.4 Ų96.447%0.47150%0.499SS..Hα-helixtrans-67.4-22.9176.3-86.9156.5000113.2I377 M378 K403 L406I377-L381 HydrophobicContact CG2-CD1 4.02Å; I377-L381 PolarHBondContact O-N 2.91Å; M378-L381 PolarHBondContact O-N 3.49Å; L381-K403 HydrophobicContact CD2-CG 4.41Å; L381-L406 HydrophobicContact CD1-CD1 4.17Å
382Q68.8Low70.3Confident150 Ų15093.1 Ų93.170%0.70149%0.491SS*.THydrogen-bonded Turntrans-84.7-8.3175.9-71.8-176-10.700113.8M378 Q379 V380 S384M378-Q382 PolarHBondContact O-N 3.41Å; Q379-Q382 PolarHBondContact O-N 2.84Å; V380-Q382 PolarHBondContact O-N 2.91Å; Q382-S384 PolarHBondContact O-N 3.03Å
383L67.4Low70.9Confident48 Ų4894.4 Ų94.425%0.25150%0.497SS..  trans-68.7118.5176.7-69.6165.4000109.9V380 Q387 L388 L391V380-L383 HydrophobicContact CG2-CD1 4.38Å; V380-L383 WeakPolarHBondContact O-CB 3.15Å; V380-L383 PolarHBondContact O-N 3.41Å; L383-Q387 HydrophobicContact CB-CB 4.39Å; L383-Q387 HydrophobicContact CD2-CB 3.91Å; L383-Q387 HydrophobicContact CD2-CG 4.47Å; L383-L388 HydrophobicContact CB-CD1 4.36Å; L383-L391 HydrophobicContact CD1-CD1 4.27Å
384S73.4Confident71.6Confident73 Ų7394.2 Ų94.251%0.5150%0.503SS..  trans-59.9151.4171.4-62.30000110.6Q382 E386 Q387 L388Q382-S384 PolarHBondContact O-N 3.03Å; S384-E386 PolarHBondContact O-N 2.95Å; S384-Q387 WeakPolarHBondContact O-CA 3.35Å; S384-Q387 WeakPolarHBondContact O-CB 3.49Å; S384-Q387 PolarHBondContact O-N 3.44Å; S384-L388 PolarHBondContact O-N 3.4Å
385D70.1Confident72Confident109 Ų10995.3 Ų95.358%0.58350%0.502SS*.Hα-helixtrans-54.4-31.2178.7-119.4-99.1000112.5L388 A389 K403D385-L388 VanDerWaalsContact O-CB 3.31Å; D385-L388 WeakPolarHBondContact O-CB 3.47Å; D385-L388 PolarHBondContact O-N 3.46Å; D385-A389 PolarHBondContact O-N 3.11Å; D385-A389 VanDerWaalsContact O-N 3.08Å; D385-K403 IonicContact OD2-NZ 3.86Å
386E75.5Confident72.3Confident166 Ų16696.4 Ų96.478%0.77650%0.498SS*.Hα-helixtrans-66.7-37.3172.5-69.1-17090.300113.7S384 L388 A389S384-E386 PolarHBondContact O-N 2.95Å; E386-L388 VanDerWaalsContact C-N 3.31Å; E386-A389 PolarHBondContact O-N 3.25Å
387Q68.1Low72.9Confident100 Ų10099.4 Ų99.447%0.46750%0.501SS..Hα-helixtrans-71.6-31.2172.4-73-178.8-51.600111.2L383 S384 A389 L390L383-Q387 HydrophobicContact CB-CB 4.39Å; L383-Q387 HydrophobicContact CD2-CB 3.91Å; L383-Q387 HydrophobicContact CD2-CG 4.47Å; S384-Q387 WeakPolarHBondContact O-CA 3.35Å; S384-Q387 WeakPolarHBondContact O-CB 3.49Å; S384-Q387 PolarHBondContact O-N 3.44Å; Q387-A389 PolarHBondContact O-N 3.39Å; Q387-L390 PolarHBondContact O-N 3.08Å
388L70.7Confident73.1Confident10 Ų10100.6 Ų100.65%0.05251%0.514CS..Hα-helixtrans-64.3-30.3173.5-138.381.6000112.7L383 S384 D385 E386 L390 L391 R396 I399L383-L388 HydrophobicContact CB-CD1 4.36Å; S384-L388 PolarHBondContact O-N 3.4Å; D385-L388 VanDerWaalsContact O-CB 3.31Å; D385-L388 WeakPolarHBondContact O-CB 3.47Å; D385-L388 PolarHBondContact O-N 3.46Å; E386-L388 VanDerWaalsContact C-N 3.31Å; L388-L390 VanDerWaalsContact C-N 3.34Å; L388-L391 HydrophobicContact CD1-CD1 4.33Å; L388-R396 HydrophobicContact CD2-CG 4.19Å; L388-R396 HydrophobicContact CG-CG 4.3Å; L388-I399 HydrophobicContact CD1-CB 4.17Å; L388-I399 HydrophobicContact CD1-CG2 3.56Å
389A76.7Confident73.3Confident67 Ų6795.8 Ų95.855%0.55449%0.49SS*.Hα-helixtrans-76-19.3176.100000113.8D385 E386 Q387D385-A389 PolarHBondContact O-N 3.11Å; D385-A389 VanDerWaalsContact O-N 3.08Å; E386-A389 PolarHBondContact O-N 3.25Å; Q387-A389 PolarHBondContact O-N 3.39Å
390L78.3Confident73.7Confident152 Ų15294 Ų9480%0.79648%0.483SS*.Hα-helixtrans-84.8-13.3176-98.9140.8000113.4Q387 L388Q387-L390 PolarHBondContact O-N 3.08Å; L388-L390 VanDerWaalsContact C-N 3.34Å
391L71.6Confident74.3Confident53 Ų5397.2 Ų97.228%0.27750%0.498SS..SBendtrans-80.5147.3177.8-75.2160.9000111.1L383 L388 Q395L383-L391 HydrophobicContact CD1-CD1 4.27Å; L388-L391 HydrophobicContact CD1-CD1 4.33Å; L391-Q395 HydrophobicContact CB-CB 4.14Å; L391-Q395 HydrophobicContact CD2-CB 4.26Å
392P78.8Confident74.4Confident87 Ų8795.8 Ų95.857%0.56549%0.491SS*.  trans-52.4146.5170.2-21.830.6000111.5D394 Q395 R396P392-D394 PolarHBondContact O-N 3.34Å; P392-Q395 HydrophobicContact CG-CG 4.43Å; P392-Q395 WeakPolarHBondContact O-CB 3.3Å; P392-Q395 PolarHBondContact O-N 3.14Å; P392-R396 PolarHBondContact O-N 2.93Å
393E75.9Confident74.6Confident150 Ų15093 Ų9370%0.70148%0.476SS*.Hα-helixtrans-52.3-35.9-175.9-78.2-172.47900113.7R396 R397E393-R396 PolarHBondContact O-N 3.1Å; E393-R397 WeakPolarHBondContact O-CG 3.46Å; E393-R397 PolarHBondContact O-N 3.08Å
394D75.6Confident75.2Confident132 Ų13296.4 Ų96.471%0.70649%0.491SS*.Hα-helixtrans-64.8-42.8178.8-132-93.1000112.5P392 S398P392-D394 PolarHBondContact O-N 3.34Å; D394-S398 PolarHBondContact O-N 3.33Å; D394-S398 VanDerWaalsContact O-N 3.12Å; D394-S398 PolarHBondContact O-OG 3.44Å; D394-S398 VanDerWaalsContact O-OG 3.05Å
395Q74.9Confident74.9Confident107 Ų10798.6 Ų98.650%0.549%0.493SS..Hα-helixtrans-68.2-45.4174.6-71.1-79.3-2500110.1L391 P392 R397 S398 I399L391-Q395 HydrophobicContact CB-CB 4.14Å; L391-Q395 HydrophobicContact CD2-CB 4.26Å; P392-Q395 HydrophobicContact CG-CG 4.43Å; P392-Q395 WeakPolarHBondContact O-CB 3.3Å; P392-Q395 PolarHBondContact O-N 3.14Å; Q395-R397 VanDerWaalsContact C-N 3.34Å; Q395-R397 PolarHBondContact O-N 3.25Å; Q395-S398 PolarHBondContact O-N 2.94Å; Q395-I399 WeakPolarHBondContact O-CG1 3.35Å; Q395-I399 PolarHBondContact O-N 3.15Å
396R79.7Confident74.6Confident101 Ų10196.5 Ų96.538%0.38148%0.482SS..Hα-helixtrans-57.8-44.1177.9-176.6-179.7176.2-178.61.8111.9L388 P392 E393 M400L388-R396 HydrophobicContact CD2-CG 4.19Å; L388-R396 HydrophobicContact CG-CG 4.3Å; P392-R396 PolarHBondContact O-N 2.93Å; E393-R396 PolarHBondContact O-N 3.1Å; R396-M400 HydrophobicContact CG-CE 4.43Å; R396-M400 WeakPolarHBondContact O-CB 3.34Å; R396-M400 PolarHBondContact O-N 3.3Å
397R80.5Confident74.2Confident169 Ų16991.7 Ų91.764%0.63848%0.476SS*.Hα-helixtrans-64.1-44.9176.1-78.3-174.4-177.9-171.83.1112E393 Q395 I399 M400 I401E393-R397 WeakPolarHBondContact O-CG 3.46Å; E393-R397 PolarHBondContact O-N 3.08Å; Q395-R397 VanDerWaalsContact C-N 3.34Å; Q395-R397 PolarHBondContact O-N 3.25Å; R397-I399 PolarHBondContact O-N 2.88Å; R397-M400 PolarHBondContact O-N 3.17Å; R397-I401 WeakPolarHBondContact O-CG1 3.35Å; R397-I401 PolarHBondContact O-N 2.92Å
398S74Confident74.1Confident69 Ų6994 Ų9448%0.48349%0.485SS..Hα-helixtrans-61.5-43.5179.1-650000112.2D394 Q395 I401 L402D394-S398 PolarHBondContact O-N 3.33Å; D394-S398 VanDerWaalsContact O-N 3.12Å; D394-S398 PolarHBondContact O-OG 3.44Å; D394-S398 VanDerWaalsContact O-OG 3.05Å; Q395-S398 PolarHBondContact O-N 2.94Å; S398-I401 PolarHBondContact O-N 2.97Å; S398-L402 WeakPolarHBondContact O-CB 3.44Å; S398-L402 PolarHBondContact O-N 3.44Å
399I74.8Confident73.7Confident16 Ų1698 Ų988%0.08251%0.509CS..Hα-helixtrans-65.5-41.5176.8-57.1-88.9000110.9V380 L388 Q395 R397 I401 L402 K403V380-I399 HydrophobicContact CB-CD1 3.92Å; V380-I399 HydrophobicContact CG1-CB 4.37Å; V380-I399 HydrophobicContact CG1-CD1 3.34Å; V380-I399 HydrophobicContact CG1-CG1 4.38Å; V380-I399 HydrophobicContact CG1-CG2 3.46Å; V380-I399 VanDerWaalsContact CG1-CG2 3.46Å; V380-I399 HydrophobicContact CG2-CD1 3.3Å; L388-I399 HydrophobicContact CD1-CB 4.17Å; L388-I399 HydrophobicContact CD1-CG2 3.56Å; Q395-I399 WeakPolarHBondContact O-CG1 3.35Å; Q395-I399 PolarHBondContact O-N 3.15Å; R397-I399 PolarHBondContact O-N 2.88Å; I399-I401 VanDerWaalsContact C-N 3.34Å; I399-I401 PolarHBondContact O-N 3.14Å; I399-L402 PolarHBondContact O-N 3.06Å; I399-K403 VanDerWaalsContact O-CB 3.26Å; I399-K403 WeakPolarHBondContact O-CB 3.46Å; I399-K403 PolarHBondContact O-N 3.4Å
400M77Confident72.6Confident96 Ų9698.1 Ų98.147%0.47352%0.517SS..Hα-helixtrans-62.4-41.2178.7-167.8-175.7-53.300111.9R396 R397 K403 E404R396-M400 HydrophobicContact CG-CE 4.43Å; R396-M400 WeakPolarHBondContact O-CB 3.34Å; R396-M400 PolarHBondContact O-N 3.3Å; R397-M400 PolarHBondContact O-N 3.17Å; M400-K403 PolarHBondContact O-N 3.39Å; M400-E404 WeakPolarHBondContact O-CB 3.45Å; M400-E404 PolarHBondContact O-N 3.16Å
401I79.4Confident71.1Confident97 Ų9795.2 Ų95.250%0.49752%0.516SS..Hα-helixtrans-65.1-42.6174.7-66.7163.7000110.7R397 S398 I399 E404 Q405R397-I401 WeakPolarHBondContact O-CG1 3.35Å; R397-I401 PolarHBondContact O-N 2.92Å; S398-I401 PolarHBondContact O-N 2.97Å; I399-I401 VanDerWaalsContact C-N 3.34Å; I399-I401 PolarHBondContact O-N 3.14Å; I401-E404 PolarHBondContact O-N 3.42Å; I401-Q405 WeakPolarHBondContact O-CG 3.26Å; I401-Q405 PolarHBondContact O-N 3.35Å
402L71.2Confident69.4Low60 Ų60103 Ų10331%0.31456%0.556SS.*Hα-helixtrans-65.7-40.6179-16266.9000111.7I377 S398 I399 E404 Q405 L406I377-L402 HydrophobicContact CG1-CD2 3.92Å; S398-L402 WeakPolarHBondContact O-CB 3.44Å; S398-L402 PolarHBondContact O-N 3.44Å; I399-L402 PolarHBondContact O-N 3.06Å; L402-E404 VanDerWaalsContact C-N 3.33Å; L402-Q405 PolarHBondContact O-N 3.07Å; L402-L406 HydrophobicContact CG-CD1 4.04Å; L402-L406 WeakPolarHBondContact O-CB 3.38Å; L402-L406 WeakPolarHBondContact O-CD1 3.47Å; L402-L406 WeakPolarHBondContact O-CG 3.41Å; L402-L406 PolarHBondContact O-N 2.99Å
403K73.7Confident68.9Low91 Ų91103.9 Ų103.940%0.39656%0.555SS.*Hα-helixtrans-64.7-36.5175.1-161.9175.8170.2-177.30111.1L381 D385 I399 M400 G407L381-K403 HydrophobicContact CD2-CG 4.41Å; D385-K403 IonicContact OD2-NZ 3.86Å; I399-K403 VanDerWaalsContact O-CB 3.26Å; I399-K403 WeakPolarHBondContact O-CB 3.46Å; I399-K403 PolarHBondContact O-N 3.4Å; M400-K403 PolarHBondContact O-N 3.39Å; K403-G407 PolarHBondContact O-N 3.46Å
404E78.6Confident68.5Low119 Ų119101.4 Ų101.456%0.55655%0.547SS*.Hα-helixtrans-70.3-41.5173.5-166.8-175.911000112.6M400 I401 L402 G407 K408M400-E404 WeakPolarHBondContact O-CB 3.45Å; M400-E404 PolarHBondContact O-N 3.16Å; I401-E404 PolarHBondContact O-N 3.42Å; L402-E404 VanDerWaalsContact C-N 3.33Å; E404-G407 PolarHBondContact O-N 3.19Å; E404-K408 PolarHBondContact O-N 2.98Å; E404-K408 IonicContact OE1-NZ 2.81Å; E404-K408 PolarHBondContact OE1-NZ 3.31Å
405Q67.1Low68.1Low120 Ų12099.7 Ų99.756%0.56154%0.539SS*.Hα-helixtrans-66.9-41.4177.7-74.2-173.639.400111.9I401 L402 K408 T409I401-Q405 WeakPolarHBondContact O-CG 3.26Å; I401-Q405 PolarHBondContact O-N 3.35Å; L402-Q405 PolarHBondContact O-N 3.07Å; Q405-K408 PolarHBondContact O-N 3.21Å; Q405-T409 PolarHBondContact O-N 3.37Å; Q405-T409 PolarHBondContact O-OG1 2.88Å
406L65.6Low67.8Low65 Ų6599.3 Ų99.334%0.3454%0.541SS..Hα-helixtrans-70.2-35.4176.1-76157.2000112.2I377 L381 L402 K408 T409 G410I377-L406 HydrophobicContact CG2-CD1 3.3Å; I377-L406 HydrophobicContact CG2-CD2 4.38Å; I377-L406 HydrophobicContact CG2-CG 4.48Å; L381-L406 HydrophobicContact CD1-CD1 4.17Å; L402-L406 HydrophobicContact CG-CD1 4.04Å; L402-L406 WeakPolarHBondContact O-CB 3.38Å; L402-L406 WeakPolarHBondContact O-CD1 3.47Å; L402-L406 WeakPolarHBondContact O-CG 3.41Å; L402-L406 PolarHBondContact O-N 2.99Å; L406-K408 PolarHBondContact O-N 2.96Å; L406-T409 PolarHBondContact O-N 3.06Å; L406-G410 PolarHBondContact O-N 3.08Å
407G66.4Low67Low64 Ų6499.2 Ų99.266%0.6655%0.551SS**Hα-helixtrans-62.4-27.1173.100000113.6K403 E404K403-G407 PolarHBondContact O-N 3.46Å; E404-G407 PolarHBondContact O-N 3.19Å
408K65.4Low66.1Low148 Ų14894.5 Ų94.564%0.64355%0.545SS*.Hα-helixtrans-84.2-27175.9-76.7169.2176.4163.10113.6E404 Q405 L406E404-K408 PolarHBondContact O-N 2.98Å; E404-K408 IonicContact OE1-NZ 2.81Å; E404-K408 PolarHBondContact OE1-NZ 3.31Å; Q405-K408 PolarHBondContact O-N 3.21Å; L406-K408 PolarHBondContact O-N 2.96Å
409T61.9Low65.5Low94 Ų9496.4 Ų96.458%0.57755%0.55SS*.Hα-helixtrans-87.6-20.3-178.5-66.30000113.4Q405 L406 A411Q405-T409 PolarHBondContact O-N 3.37Å; Q405-T409 PolarHBondContact O-OG1 2.88Å; L406-T409 PolarHBondContact O-N 3.06Å; T409-A411 PolarHBondContact O-N 3.49Å
410G54.6Low64.8Low70 Ų70102.5 Ų102.572%0.72259%0.586SS**THydrogen-bonded Turntrans-72.620.9-178.500000117.2L406L406-G410 PolarHBondContact O-N 3.08Å
411A46.8Very low63.8Low92 Ų92103.1 Ų103.176%0.7660%0.595SS**THydrogen-bonded Turntrans-114.217.8-17900000114.3T409T409-A411 PolarHBondContact O-N 3.49Å
412I35.1Very low62.4Low217 Ų217103.6 Ų103.6100%1.11360%0.604SS**  trans-133.30173.99.9174.6000108.6

Retrieved 412 of 412 residues in 118.3 ms (Link to these results)