A0A060X4W0_ONCMY Loading...

Cysteine-rich hydrophobic domain 1

AlphaFold DB (A0A673Z2H0), UniProt , Accession A0A060X4W0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene chic1, Length 173 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
1M36.2Very low45.7Very low241 Ų241155.5 Ų155.5100%1.18786%0.856SS**  01030-89.2166.5170.100107.2
2S36.4Very low45.8Very low124 Ų124154.9 Ų154.987%0.86785%0.85SS**  trans-90.8122.2179.1-55.20000108.6
3V40.5Very low46.3Very low134 Ų134149.3 Ų149.381%0.81282%0.824SS**  trans-86.7115.8175.9-171.20000107.4
4L44.6Very low47Very low167 Ų167150 Ų15087%0.87482%0.823SS**PPolyproline II helixtrans-75118.9173-79160.5000108.9
5L44.1Very low47.8Very low158 Ų158152.2 Ų152.283%0.82782%0.816SS**PPolyproline II helixtrans-83.1134.7168.7-74.2165.9000109.5
6P51.6Low48.2Very low115 Ų115154.7 Ų154.775%0.74782%0.821SS**PPolyproline II helixtrans-71.7140.2170.228.1-29.9000111M8P6-M8 PolarHBondContact O-N 3.08Å
7N48.7Very low48.6Very low156 Ų156152.4 Ų152.483%0.83481%0.808SS**PPolyproline II helixtrans-56123.5-177.9-111.3-5.1000112.6A9N7-A9 PolarHBondContact O-N 3.42Å; N7-A9 VanDerWaalsContact O-N 3.08Å
8M53.9Low49Very low196 Ų196150.6 Ų150.697%0.96680%0.799SS**THydrogen-bonded Turntrans-78.335175.5-72.117367.500113.6P6P6-M8 PolarHBondContact O-N 3.08Å
9A50.3Low49.3Very low81 Ų81149.8 Ų149.867%0.66979%0.79SS**THydrogen-bonded Turntrans-108-1.3-171.500000115.1N7N7-A9 PolarHBondContact O-N 3.42Å; N7-A9 VanDerWaalsContact O-N 3.08Å
10D49.7Very low49.5Very low148 Ų148149.7 Ų149.779%0.79179%0.785SS**SBendtrans-117.716.7-167.5-148.329.6000114.2
11F46.9Very low49.6Very low191 Ų191146.4 Ų146.484%0.83877%0.768SS**SBendtrans-108-16.5-174.5-167-102.8000114.9
12D47.1Very low50.5Low148 Ų148140.6 Ų140.679%0.79174%0.738SS**  trans-109.123.7-172.5-83.3-16.8000114.5I14D12-I14 PolarHBondContact O-N 3.35Å
13T52.4Low51.5Low82 Ų82141.6 Ų141.650%0.50372%0.723SS.*  trans-90.993.8174.1-32.40000110.3Y15T13-Y15 HydrophobicContact CG2-CE2 4.17Å; T13-Y15 PolarHBondContact O-N 2.68Å
14I55.5Low52.2Low159 Ų159138.6 Ų138.682%0.81571%0.705SS**  trans-79.5107.9167-57.4175.5000106.8D12 E16D12-I14 PolarHBondContact O-N 3.35Å; I14-E16 PolarHBondContact O-N 3.26Å
15Y59.8Low52.7Low183 Ų183133.8 Ų133.872%0.71868%0.682SS**PPolyproline II helixtrans-72.4119.1172-67.1-91.9000108.3T13 L17T13-Y15 HydrophobicContact CG2-CE2 4.17Å; T13-Y15 PolarHBondContact O-N 2.68Å; Y15-L17 PolarHBondContact O-N 3.36Å
16E53.8Low53.2Low192 Ų192128.3 Ų128.390%0.89766%0.657SS**PPolyproline II helixtrans-65119167.7-70-170.2164.700107.9I14I14-E16 PolarHBondContact O-N 3.26Å
17L55.2Low53.4Low115 Ų115129.5 Ų129.560%0.60265%0.653SS**PPolyproline II helixtrans-88.6134.6175.8-69.3169.2000108.5Y15Y15-L17 PolarHBondContact O-N 3.36Å
18D55.5Low53.6Low121 Ų121127.7 Ų127.765%0.64764%0.639SS**PPolyproline II helixtrans-64.9147.6177.9-71.4-39.2000110.9E20 D21 E22D18-E20 PolarHBondContact O-N 3.12Å; D18-D21 WeakPolarHBondContact O-CB 3.16Å; D18-D21 PolarHBondContact O-N 3.38Å; D18-E22 PolarHBondContact O-N 3.28Å; D18-E22 VanDerWaalsContact O-N 3.12Å
19E55.1Low53.4Low135 Ų135123 Ų12363%0.63162%0.615SS**Hα-helixtrans-57.1-23.8-177.9-72.9-169.4-177.900114.2R23E19-R23 VanDerWaalsContact O-CG 3.27Å; E19-R23 WeakPolarHBondContact O-CG 3.44Å; E19-R23 PolarHBondContact O-N 3.18Å; E19-R23 PolarHBondContact O-NE 3.28Å; E19-R23 IonicContact OE2-NH2 2.58Å; E19-R23 PolarHBondContact OE2-NH2 2.93Å
20E52.4Low53.5Low148 Ų148122.2 Ų122.269%0.69260%0.599SS**Hα-helixtrans-72.8-39.8173.7-73.4-169.6155.500111.5D18 R23 V24D18-E20 PolarHBondContact O-N 3.12Å; E20-R23 PolarHBondContact O-N 3Å; E20-V24 VanDerWaalsContact O-CG2 3.32Å; E20-V24 WeakPolarHBondContact O-CG2 3.41Å; E20-V24 PolarHBondContact O-N 3.24Å
21D52.9Low53.5Low80 Ų80120.8 Ų120.843%0.42860%0.595SS.*Hα-helixtrans-68.8-37.4176.7-76.4-31000111.4D18 R23 V24 V25D18-D21 WeakPolarHBondContact O-CB 3.16Å; D18-D21 PolarHBondContact O-N 3.38Å; D21-R23 VanDerWaalsContact C-N 3.3Å; D21-R23 PolarHBondContact O-N 2.95Å; D21-V24 PolarHBondContact O-N 3.18Å; D21-V25 VanDerWaalsContact O-CB 3.31Å; D21-V25 WeakPolarHBondContact O-CB 3.31Å; D21-V25 WeakPolarHBondContact O-CG2 3.05Å; D21-V25 PolarHBondContact O-N 2.72Å
22E55.4Low53.7Low119 Ų119118.7 Ų118.756%0.55659%0.586SS**Hα-helixtrans-60.9-37.4170.9-81.9-161.6148.600112.8D18 S26D18-E22 PolarHBondContact O-N 3.28Å; D18-E22 VanDerWaalsContact O-N 3.12Å; E22-S26 VanDerWaalsContact O-CB 3.3Å; E22-S26 WeakPolarHBondContact O-CB 3.48Å; E22-S26 PolarHBondContact O-N 2.93Å; E22-S26 PolarHBondContact O-OG 3.21Å
23R56.1Low54.2Low146 Ų146121.1 Ų121.155%0.55159%0.586SS**Hα-helixtrans-70.2-42.9177.4-73.2176-136-1752.2111.6E19 E20 D21 S26 E27E19-R23 VanDerWaalsContact O-CG 3.27Å; E19-R23 WeakPolarHBondContact O-CG 3.44Å; E19-R23 PolarHBondContact O-N 3.18Å; E19-R23 PolarHBondContact O-NE 3.28Å; E19-R23 IonicContact OE2-NH2 2.58Å; E19-R23 PolarHBondContact OE2-NH2 2.93Å; E20-R23 PolarHBondContact O-N 3Å; D21-R23 VanDerWaalsContact C-N 3.3Å; D21-R23 PolarHBondContact O-N 2.95Å; R23-S26 WeakPolarHBondContact O-CB 3.36Å; R23-S26 PolarHBondContact O-N 3.32Å; R23-E27 PolarHBondContact O-N 3.11Å
24V56Low54.7Low70 Ų70120.7 Ų120.742%0.42459%0.585SS.*Hα-helixtrans-63.1-44.7176.5173.70000110.4E20 D21 S26 E27 E28E20-V24 VanDerWaalsContact O-CG2 3.32Å; E20-V24 WeakPolarHBondContact O-CG2 3.41Å; E20-V24 PolarHBondContact O-N 3.24Å; D21-V24 PolarHBondContact O-N 3.18Å; V24-S26 VanDerWaalsContact C-N 3.32Å; V24-S26 PolarHBondContact O-N 3.43Å; V24-E27 PolarHBondContact O-N 2.63Å; V24-E28 HydrophobicContact CG1-CG 4.44Å; V24-E28 WeakPolarHBondContact O-CB 3.33Å; V24-E28 WeakPolarHBondContact O-CG 3.4Å; V24-E28 PolarHBondContact O-N 3.41Å
25V54.3Low56Low66 Ų66116.4 Ų116.440%0.457%0.568SS.*Hα-helixtrans-62.6-39.5174.9173.50000110.7D21 H29D21-V25 VanDerWaalsContact O-CB 3.31Å; D21-V25 WeakPolarHBondContact O-CB 3.31Å; D21-V25 WeakPolarHBondContact O-CG2 3.05Å; D21-V25 PolarHBondContact O-N 2.72Å; V25-H29 VanDerWaalsContact CG1-ND1 3.35Å; V25-H29 WeakPolarHBondContact CG1-ND1 3.49Å; V25-H29 VanDerWaalsContact O-CB 3.31Å; V25-H29 WeakPolarHBondContact O-CB 3.4Å; V25-H29 PolarHBondContact O-N 2.99Å; V25-H29 PolarHBondContact O-ND1 3.5Å
26S56Low57.4Low43 Ų43115.1 Ų115.130%0.30157%0.568SS.*Hα-helixtrans-64.5-42.2176-61.20000112.7E22 R23 V24 L30E22-S26 VanDerWaalsContact O-CB 3.3Å; E22-S26 WeakPolarHBondContact O-CB 3.48Å; E22-S26 PolarHBondContact O-N 2.93Å; E22-S26 PolarHBondContact O-OG 3.21Å; R23-S26 WeakPolarHBondContact O-CB 3.36Å; R23-S26 PolarHBondContact O-N 3.32Å; V24-S26 VanDerWaalsContact C-N 3.32Å; V24-S26 PolarHBondContact O-N 3.43Å; S26-L30 WeakPolarHBondContact O-CB 3.11Å; S26-L30 WeakPolarHBondContact O-CD1 3.46Å; S26-L30 WeakPolarHBondContact O-CG 3.43Å; S26-L30 PolarHBondContact O-N 2.87Å
27E54.8Low59.3Low140 Ų140107.4 Ų107.465%0.65454%0.535SS*.Hα-helixtrans-69.4-43.9178-118.2175.2179.800111.8R23 V24 H29 L30 V31R23-E27 PolarHBondContact O-N 3.11Å; V24-E27 PolarHBondContact O-N 2.63Å; E27-H29 VanDerWaalsContact C-N 3.31Å; E27-H29 PolarHBondContact O-N 2.92Å; E27-L30 PolarHBondContact O-N 3.47Å; E27-V31 VanDerWaalsContact O-CG2 3.31Å; E27-V31 WeakPolarHBondContact O-CG2 3.25Å; E27-V31 PolarHBondContact O-N 3.45Å
28E52.1Low61.1Low118 Ų118102.9 Ų102.955%0.55151%0.512SS*.Hα-helixtrans-63.8-34.5175-74.6-170.2160.800112.7V24 K32V24-E28 HydrophobicContact CG1-CG 4.44Å; V24-E28 WeakPolarHBondContact O-CB 3.33Å; V24-E28 WeakPolarHBondContact O-CG 3.4Å; V24-E28 PolarHBondContact O-N 3.41Å; E28-K32 PolarHBondContact O-N 3.12Å
29H50.7Low63Low98 Ų9899.8 Ų99.845%0.45450%0.495SS..Hα-helixtrans-76.6-29174.1-75.993000113.3V25 E27 K32V25-H29 VanDerWaalsContact CG1-ND1 3.35Å; V25-H29 WeakPolarHBondContact CG1-ND1 3.49Å; V25-H29 VanDerWaalsContact O-CB 3.31Å; V25-H29 WeakPolarHBondContact O-CB 3.4Å; V25-H29 PolarHBondContact O-N 2.99Å; V25-H29 PolarHBondContact O-ND1 3.5Å; E27-H29 VanDerWaalsContact C-N 3.31Å; E27-H29 PolarHBondContact O-N 2.92Å; H29-K32 PolarHBondContact O-N 3.23Å
30L52.4Low64.9Low64 Ų6493.9 Ų93.934%0.33547%0.467SS..Hα-helixtrans-69.1-38172.4-85.6162000112.2S26 E27 K32 P168S26-L30 WeakPolarHBondContact O-CB 3.11Å; S26-L30 WeakPolarHBondContact O-CD1 3.46Å; S26-L30 WeakPolarHBondContact O-CG 3.43Å; S26-L30 PolarHBondContact O-N 2.87Å; E27-L30 PolarHBondContact O-N 3.47Å; L30-K32 PolarHBondContact O-N 2.79Å; L30-P168 HydrophobicContact CD2-CG 4.44Å
31V49.1Very low66.8Low118 Ų11889.9 Ų89.972%0.71545%0.446SS*.Hα-helixtrans-66.7-25.7175.9175.50000111.8E27 Y33E27-V31 VanDerWaalsContact O-CG2 3.31Å; E27-V31 WeakPolarHBondContact O-CG2 3.25Å; E27-V31 PolarHBondContact O-N 3.45Å; V31-Y33 VanDerWaalsContact C-N 3.32Å; V31-Y33 PolarHBondContact O-N 3.11Å
32K50.6Low68.6Low148 Ų14887.7 Ų87.764%0.64344%0.442SS*.THydrogen-bonded Turntrans-71.6-11-177.6-92.4176179.4167.10116.3E28 H29 L30E28-K32 PolarHBondContact O-N 3.12Å; H29-K32 PolarHBondContact O-N 3.23Å; L30-K32 PolarHBondContact O-N 2.79Å
33Y57.7Low70.4Confident199 Ų19984.7 Ų84.778%0.7844%0.437SS*.THydrogen-bonded Turntrans-117.729.3-173.3-82.6-81.4000115V31 P35V31-Y33 VanDerWaalsContact C-N 3.32Å; V31-Y33 PolarHBondContact O-N 3.11Å; Y33-P35 WeakPolarHBondContact O-CD 3.13Å
34C64.4Low71.8Confident73 Ų7378.7 Ų78.749%0.49342%0.421SS..  trans-94.599.8170.8-140.50000109.9F163C34-F163 PolarHBondContact SG-O 2.88Å
35P81.8Confident73.2Confident69 Ų6983.5 Ų83.545%0.44844%0.439SS..PPolyproline II helixtrans-59.5150.8178.914.6-22.4000111.5Y33 F163Y33-P35 WeakPolarHBondContact O-CD 3.13Å; P35-F163 HydrophobicContact CB-CD2 3.97Å; P35-F163 HydrophobicContact CB-CE2 4.22Å; P35-F163 HydrophobicContact CB-CG 4.39Å; P35-F163 HydrophobicContact CG-CB 3.74Å; P35-F163 HydrophobicContact CG-CD1 4.05Å; P35-F163 HydrophobicContact CG-CD2 3.61Å; P35-F163 HydrophobicContact CG-CE2 4.18Å; P35-F163 HydrophobicContact CG-CG 3.53Å
36E88.9Confident74.6Confident156 Ų15683.2 Ų83.273%0.72943%0.434SS*.PPolyproline II helixtrans-56.6135-178.3-166.4177.9177.800110.6F163E36-F163 WeakPolarHBondContact O-CE2 3.35Å
37P93.1Very high76.1Confident30 Ų3085.2 Ų85.220%0.19545%0.445CS..PPolyproline II helixtrans-65.4141.2-177.527.2-36.9000111.6I39 I161 E162P37-I39 PolarHBondContact O-N 3.29Å; P37-I161 CarbonylContact C-O 3.52Å; P37-I161 VanDerWaalsContact CA-O 3.26Å; P37-I161 WeakPolarHBondContact CA-O 3.31Å; P37-I161 WeakPolarHBondContact CB-O 3.49Å; P37-E162 HydrophobicContact CB-CG 4.03Å
38V94.9Very high77.5Confident20 Ų2079 Ų7912%0.12142%0.416CS..EExtended strand (participates in β ladder)trans-71.8127.2173.5-177.40000108.8P60 V62 L63 L160 I161 F163V38-P60 HydrophobicContact CG1-CB 3.69Å; V38-P60 HydrophobicContact CG1-CG 3.87Å; V38-V62 HydrophobicContact CG2-CB 4.13Å; V38-V62 HydrophobicContact CG2-CG1 4.22Å; V38-L63 HydrophobicContact CG2-CD2 4.16Å; V38-L63 HydrophobicContact CG2-CG 4.42Å; V38-L160 WeakPolarHBondContact O-CA 3.46Å; V38-I161 HydrophobicContact CB-CB 4.17Å; V38-I161 PolarHBondContact N-O 3.42Å; V38-I161 PolarHBondContact O-N 3.11Å; V38-F163 HydrophobicContact CG2-CE2 4.24Å; V38-F163 HydrophobicContact CG2-CZ 4.27Å
39I94.7Very high79.1Confident56 Ų5678.2 Ų78.229%0.28741%0.411SS..EExtended strand (participates in β ladder)trans-102.2119.5-179.3-50173.6000109.2P37 R41 V158 L160P37-I39 PolarHBondContact O-N 3.29Å; I39-R41 HydrophobicContact CG2-CG 4.22Å; I39-V158 HydrophobicContact CG2-CB 4.04Å; I39-V158 HydrophobicContact CG2-CG1 4.27Å; I39-V158 HydrophobicContact CG2-CG2 4.1Å; I39-L160 HydrophobicContact CB-CD2 4.2Å; I39-L160 HydrophobicContact CG1-CD2 3.74Å; I39-L160 HydrophobicContact CG2-CD2 4.1Å
40M94.3Very high80.9Confident10 Ų1074.1 Ų74.15%0.04940%0.396CS..EExtended strand (participates in β ladder)trans-106.5114.2172.8-63.8179.164.400110.2D56 F72 I76 W142 I159 I161M40-D56 WeakPolarHBondContact CE-O 3.26Å; M40-F72 HydrophobicContact CE-CE1 4.3Å; M40-F72 HydrophobicContact CE-CE2 4.07Å; M40-F72 HydrophobicContact CE-CZ 3.4Å; M40-F72 HydrophobicContact SD-CE2 3.71Å; M40-F72 HydrophobicContact SD-CZ 3.63Å; M40-I76 HydrophobicContact CE-CD1 3.52Å; M40-I76 HydrophobicContact CE-CG1 3.81Å; M40-W142 HydrophobicContact SD-CH2 4.18Å; M40-W142 HydrophobicContact SD-CZ3 4.33Å; M40-I159 HydrophobicContact CB-CB 4.14Å; M40-I159 PolarHBondContact N-O 2.88Å; M40-I159 PolarHBondContact O-N 3.12Å; M40-I159 HydrophobicContact SD-CG2 4.48Å; M40-I161 HydrophobicContact SD-CD1 3.81Å
41R92.5Very high82.7Confident65 Ų6571.3 Ų71.325%0.24538%0.381CS..  trans-90.9164.7-178.7-66.9-172.3-174.2-103.51.1112.2I39 D56 E150 E156 V158I39-R41 HydrophobicContact CG2-CG 4.22Å; R41-D56 PolarHBondContact O-N 3.39Å; R41-E150 IonicContact CZ-OE1 3.63Å; R41-E150 IonicContact NE-OE1 2.91Å; R41-E150 VanDerWaalsContact NH2-CG 3.33Å; R41-E150 IonicContact NH2-OE1 3.46Å; R41-E150 PolarHBondContact NH2-OE1 3.3Å; R41-E150 IonicContact NH2-OE2 3.91Å; R41-E156 IonicContact CZ-OE1 3.98Å; R41-E156 IonicContact NE-OE1 3.49Å; R41-E156 IonicContact NH1-OE1 2.93Å; R41-E156 PolarHBondContact NH1-OE1 2.87Å; R41-V158 HydrophobicContact CG-CG1 4.01Å
42G91.6Very high84.7Confident34 Ų3466 Ų6635%0.35135%0.349SS..BIsolated β-bridgetrans-68.8129.717500000111.5K54G42-K54 CarbonylContact C-O 3.49Å; G42-K54 VanDerWaalsContact CA-O 3.31Å; G42-K54 WeakPolarHBondContact CA-O 3.31Å
43A91.7Very high86.5Confident55 Ų5560.1 Ų60.146%0.45533%0.325SS..  trans-110.219175.600000111.9K54 D56A43-K54 PolarHBondContact N-O 2.91Å; A43-D56 HydrophobicContact CB-CB 4.15Å
44G85.8Confident88.2Confident21 Ų2155.1 Ų55.122%0.21631%0.307CS..  trans-92.2153.5-176.100000112.9I46 S52 N53 K54G44-I46 VanDerWaalsContact C-N 3.35Å; G44-S52 WeakPolarHBondContact CA-OG 3.47Å; G44-S52 PolarHBondContact N-OG 3.37Å; G44-N53 WeakPolarHBondContact CA-OD1 3.34Å; G44-K54 PolarHBondContact N-O 3.38Å
45H84.9Confident89.6Confident171 Ų17151.7 Ų51.779%0.79228%0.284SS*.SBendtrans-86.3-6.7174.353.8-86.5000113
46I85.5Confident90.2Very high59 Ų5951.5 Ų51.530%0.30328%0.279SS..  trans-123.3128.1178-50.3177.2000109.1G44 V48 N53 L87G44-I46 VanDerWaalsContact C-N 3.35Å; I46-V48 HydrophobicContact CG2-CG2 4.25Å; I46-N53 HydrophobicContact CB-CB 4.32Å; I46-N53 PolarHBondContact O-N 2.96Å; I46-L87 HydrophobicContact CB-CD2 3.94Å; I46-L87 HydrophobicContact CD1-CD2 3.89Å; I46-L87 HydrophobicContact CG1-CD2 4.46Å; I46-L87 HydrophobicContact CG2-CD2 3.83Å
47T86.6Confident90.3Very high86 Ų8646.9 Ų46.953%0.52826%0.261SS..EExtended strand (participates in β ladder)trans-127.5127.7176.7-60.10000109.5L51T47-L51 WeakPolarHBondContact CA-O 3.4Å
48V84.6Confident90.4Very high8 Ų852.3 Ų52.35%0.04828%0.284CS..EExtended strand (participates in β ladder)trans-122.5116.7178.6-176.20000109I46 G50 L51 L87 N116I46-V48 HydrophobicContact CG2-CG2 4.25Å; V48-G50 PolarHBondContact O-N 3.3Å; V48-L51 PolarHBondContact N-O 3.22Å; V48-L51 WeakPolarHBondContact O-CB 3.42Å; V48-L51 PolarHBondContact O-N 3.37Å; V48-L87 HydrophobicContact CG2-CD1 4.47Å; V48-N116 PolarHBondContact O-ND2 3.44Å
49F85.7Confident90.5Very high102 Ų10253.9 Ų53.945%0.44729%0.29SS..THydrogen-bonded Turntrans47.743.9-173.8-59.1-72.4000113.4L51 V112 I113 N116F49-L51 VanDerWaalsContact C-N 3.27Å; F49-L51 PolarHBondContact O-N 3.02Å; F49-V112 HydrophobicContact CE2-CB 4.28Å; F49-V112 HydrophobicContact CE2-CG1 3.8Å; F49-V112 HydrophobicContact CZ-CG1 4.49Å; F49-I113 HydrophobicContact CE2-CG1 4.48Å; F49-I113 HydrophobicContact CZ-CG1 4.13Å; F49-N116 HydrophobicContact CD2-CB 3.94Å
50G88.9Confident90.5Very high13 Ų1352.3 Ų52.313%0.13428%0.283CS..THydrogen-bonded Turntrans79.5-4.4-179.600000115.3V48 M155 E156 Y157V48-G50 PolarHBondContact O-N 3.3Å; G50-M155 VanDerWaalsContact CA-O 3.3Å; G50-M155 WeakPolarHBondContact CA-O 3.44Å; G50-E156 CarbonylContact O-C 3.58Å; G50-E156 WeakPolarHBondContact O-CA 3.47Å; G50-Y157 PolarHBondContact O-N 3.5Å
51L89.8Confident90.5Very high4 Ų456.2 Ų56.22%0.02131%0.311CS..EExtended strand (participates in β ladder)trans-92.4114.6175.3-174.165.5000110.1T47 V48 F49 F55 L83 A119 R120 I123 Y157T47-L51 WeakPolarHBondContact CA-O 3.4Å; V48-L51 PolarHBondContact N-O 3.22Å; V48-L51 WeakPolarHBondContact O-CB 3.42Å; V48-L51 PolarHBondContact O-N 3.37Å; F49-L51 VanDerWaalsContact C-N 3.27Å; F49-L51 PolarHBondContact O-N 3.02Å; L51-F55 HydrophobicContact CD1-CZ 4.32Å; L51-L83 HydrophobicContact CD1-CD2 4.24Å; L51-L83 HydrophobicContact CD2-CD2 3.96Å; L51-L83 HydrophobicContact CG-CD2 4.01Å; L51-A119 HydrophobicContact CD2-CB 4.24Å; L51-R120 HydrophobicContact CD2-CG 4.15Å; L51-I123 HydrophobicContact CD1-CD1 4.12Å; L51-I123 HydrophobicContact CD2-CD1 4.06Å; L51-Y157 HydrophobicContact CB-CD2 4.13Å; L51-Y157 HydrophobicContact CD1-CG 4.34Å
52S90.6Very high90.5Very high6 Ų657.6 Ų57.64%0.04233%0.327CS..EExtended strand (participates in β ladder)trans-70.3148173.7176.30000111.3G44 K54 L83G44-S52 WeakPolarHBondContact CA-OG 3.47Å; G44-S52 PolarHBondContact N-OG 3.37Å; S52-K54 PolarHBondContact O-N 3.41Å; S52-K54 PolarHBondContact OG-N 2.96Å; S52-K54 PolarHBondContact OG-O 2.67Å; S52-L83 WeakPolarHBondContact O-CD2 3.3Å
53N88.6Confident90.7Very high25 Ų2556 Ų5613%0.13431%0.31CS..SBendtrans-75.8-9.3175.172.3-10.2000114.8G44 I46 L83 L87G44-N53 WeakPolarHBondContact CA-OD1 3.34Å; I46-N53 HydrophobicContact CB-CB 4.32Å; I46-N53 PolarHBondContact O-N 2.96Å; N53-L83 WeakPolarHBondContact O-CB 3.37Å; N53-L87 HydrophobicContact CB-CD1 3.64Å; N53-L87 HydrophobicContact CB-CD2 3.29Å; N53-L87 HydrophobicContact CB-CG 3.99Å
54K92.8Very high90.8Very high95 Ų9558 Ų5841%0.41332%0.317SS..  trans-149.8136.4178.2-174-176.2176.3-165.20109.4G42 A43 G44 S52 N80G42-K54 CarbonylContact C-O 3.49Å; G42-K54 VanDerWaalsContact CA-O 3.31Å; G42-K54 WeakPolarHBondContact CA-O 3.31Å; A43-K54 PolarHBondContact N-O 2.91Å; G44-K54 PolarHBondContact N-O 3.38Å; S52-K54 PolarHBondContact O-N 3.41Å; S52-K54 PolarHBondContact OG-N 2.96Å; S52-K54 PolarHBondContact OG-O 2.67Å; K54-N80 WeakPolarHBondContact CA-OD1 3.48Å
55F94.6Very high91.1Very high0 Ų060.9 Ų60.90%035%0.347CS..BIsolated β-bridgetrans-96.9152165-72.9-75.3000110.3L51 I76 V79 N80 L83 L144 Y157 I159L51-F55 HydrophobicContact CD1-CZ 4.32Å; F55-I76 HydrophobicContact CB-CD1 3.79Å; F55-I76 HydrophobicContact CB-CG1 4.46Å; F55-V79 HydrophobicContact CD2-CG1 3.98Å; F55-V79 HydrophobicContact CE2-CG1 4.36Å; F55-N80 PolarHBondContact N-OD1 3.22Å; F55-N80 PolarHBondContact O-ND2 2.91Å; F55-N80 VanDerWaalsContact O-ND2 3.07Å; F55-L83 HydrophobicContact CD2-CD1 3.55Å; F55-L83 HydrophobicContact CE2-CD1 3.68Å; F55-L144 HydrophobicContact CE2-CD1 4.48Å; F55-L144 HydrophobicContact CZ-CD1 4.01Å; F55-Y157 WeakPolarHBondContact CE1-O 3.37Å; F55-I159 HydrophobicContact CB-CD1 4.31Å; F55-I159 HydrophobicContact CD1-CD1 4.1Å; F55-I159 HydrophobicContact CD1-CG1 4.2Å; F55-I159 HydrophobicContact CD2-CD1 3.58Å; F55-I159 HydrophobicContact CD2-CG1 4.24Å; F55-I159 HydrophobicContact CE1-CD1 4.36Å; F55-I159 HydrophobicContact CE1-CG1 4.05Å; F55-I159 HydrophobicContact CE2-CD1 3.84Å; F55-I159 HydrophobicContact CE2-CG1 4.06Å; F55-I159 HydrophobicContact CG-CD1 3.72Å; F55-I159 HydrophobicContact CG-CG1 4.31Å; F55-I159 HydrophobicContact CZ-CD1 4.23Å; F55-I159 HydrophobicContact CZ-CG1 3.98Å
56D93.3Very high91.6Very high65 Ų6557.5 Ų57.535%0.34833%0.33SS..  trans-56142175.2-159.8-9.6000111.3M40 R41 A43 E58 I76M40-D56 WeakPolarHBondContact CE-O 3.26Å; R41-D56 PolarHBondContact O-N 3.39Å; A43-D56 HydrophobicContact CB-CB 4.15Å; D56-E58 PolarHBondContact OD1-N 3.26Å; D56-I76 WeakPolarHBondContact O-CG1 3.31Å
57T92.3Very high92.1Very high59 Ų5955.2 Ų55.236%0.36232%0.319SS..  trans-110-2.3179.955.10000112.4I76 N80T57-I76 HydrophobicContact CG2-CG1 4.43Å; T57-I76 HydrophobicContact CG2-CG2 4.06Å; T57-N80 WeakPolarHBondContact CG2-ND2 3.4Å
58E95.2Very high92.5Very high145 Ų14553.7 Ų53.768%0.67832%0.315SS*.SBendtrans-59.2135.4171.4-171.5171.6-175.300110.5D56 P60 F72D56-E58 PolarHBondContact OD1-N 3.26Å; E58-P60 WeakPolarHBondContact O-CD 3.44Å; E58-F72 WeakPolarHBondContact O-CE1 3.3Å
59F96Very high93.1Very high53 Ų5356.6 Ų56.623%0.23233%0.333CS..PPolyproline II helixtrans-76.7122.1-178.9-179.3-100.5000110.2S61 L63 V67 P69 F72F59-S61 PolarHBondContact O-N 3.13Å; F59-L63 HydrophobicContact CE1-CB 4.47Å; F59-L63 HydrophobicContact CE2-CB 4.25Å; F59-L63 HydrophobicContact CZ-CB 3.83Å; F59-V67 HydrophobicContact CE2-CG1 3.86Å; F59-V67 HydrophobicContact CZ-CG1 4.2Å; F59-P69 HydrophobicContact CD1-CG 4.44Å; F59-P69 HydrophobicContact CD2-CB 4.03Å; F59-P69 HydrophobicContact CD2-CG 4.33Å; F59-P69 HydrophobicContact CE1-CG 4.32Å; F59-P69 HydrophobicContact CE2-CB 4.27Å; F59-P69 HydrophobicContact CE2-CG 4.21Å; F59-P69 HydrophobicContact CG-CB 4.26Å; F59-P69 HydrophobicContact CG-CG 4.43Å; F59-P69 HydrophobicContact CZ-CG 4.2Å; F59-F72 HydrophobicContact CD2-CB 3.84Å; F59-F72 AromaticContact CD2-CD1 3.78Å; F59-F72 HydrophobicContact CD2-CD1 3.78Å; F59-F72 HydrophobicContact CD2-CD2 4.39Å; F59-F72 HydrophobicContact CD2-CE1 4.45Å; F59-F72 AromaticContact CD2-CG 3.74Å; F59-F72 HydrophobicContact CD2-CG 3.74Å; F59-F72 HydrophobicContact CE2-CB 3.89Å; F59-F72 HydrophobicContact CE2-CG 4.11Å
60P94.9Very high93.6Very high22 Ų2257.7 Ų57.714%0.14334%0.34CS..PPolyproline II helixtrans-69.7120.1178.5-15.728.9000110.8V38 E58 V62 L63 F72V38-P60 HydrophobicContact CG1-CB 3.69Å; V38-P60 HydrophobicContact CG1-CG 3.87Å; E58-P60 WeakPolarHBondContact O-CD 3.44Å; P60-V62 PolarHBondContact O-N 2.62Å; P60-V62 VanDerWaalsContact O-N 3.12Å; P60-L63 HydrophobicContact CB-CD1 4.17Å; P60-L63 HydrophobicContact CB-CG 4.18Å; P60-L63 HydrophobicContact CG-CD1 3.9Å; P60-L63 HydrophobicContact CG-CG 4.46Å; P60-L63 WeakPolarHBondContact O-CB 3.46Å; P60-L63 PolarHBondContact O-N 3.4Å; P60-F72 HydrophobicContact CG-CE2 4.01Å; P60-F72 HydrophobicContact CG-CZ 3.93Å
61S94.3Very high94Very high93 Ų9360.4 Ų60.465%0.6535%0.349SS*.G310 helixtrans-57.4-29.3-178.958.20000113.4F59 L63 T64F59-S61 PolarHBondContact O-N 3.13Å; S61-L63 PolarHBondContact O-N 3.25Å; S61-T64 WeakPolarHBondContact O-CB 3.45Å; S61-T64 PolarHBondContact O-N 2.83Å; S61-T64 PolarHBondContact O-OG1 2.8Å
62V93.3Very high94.4Very high93 Ų9360.3 Ų60.356%0.56435%0.349SS*.G310 helixtrans-60.9-23.3175.7-172.40000112.5V38 P60 T64 F163V38-V62 HydrophobicContact CG2-CB 4.13Å; V38-V62 HydrophobicContact CG2-CG1 4.22Å; P60-V62 PolarHBondContact O-N 2.62Å; P60-V62 VanDerWaalsContact O-N 3.12Å; V62-T64 VanDerWaalsContact C-N 3.33Å; V62-F163 HydrophobicContact CG1-CZ 4.02Å
63L94.5Very high94.7Very high0 Ų065.5 Ų65.50%037%0.37CS..G310 helixtrans-88.3-0.1177.6-58.5179.1000113.4V38 F59 P60 S61 G65 K66 V67 F72 L140 I161 F163V38-L63 HydrophobicContact CG2-CD2 4.16Å; V38-L63 HydrophobicContact CG2-CG 4.42Å; F59-L63 HydrophobicContact CE1-CB 4.47Å; F59-L63 HydrophobicContact CE2-CB 4.25Å; F59-L63 HydrophobicContact CZ-CB 3.83Å; P60-L63 HydrophobicContact CB-CD1 4.17Å; P60-L63 HydrophobicContact CB-CG 4.18Å; P60-L63 HydrophobicContact CG-CD1 3.9Å; P60-L63 HydrophobicContact CG-CG 4.46Å; P60-L63 WeakPolarHBondContact O-CB 3.46Å; P60-L63 PolarHBondContact O-N 3.4Å; S61-L63 PolarHBondContact O-N 3.25Å; L63-G65 PolarHBondContact O-N 3Å; L63-K66 WeakPolarHBondContact O-CB 3.06Å; L63-K66 PolarHBondContact O-N 2.82Å; L63-V67 HydrophobicContact CB-CG1 3.95Å; L63-V67 HydrophobicContact CD1-CG1 4.27Å; L63-V67 PolarHBondContact O-N 2.89Å; L63-F72 HydrophobicContact CD1-CD2 4.06Å; L63-F72 HydrophobicContact CD1-CE2 4.09Å; L63-L140 HydrophobicContact CD2-CD1 4.27Å; L63-L140 HydrophobicContact CD2-CD2 4.22Å; L63-I161 HydrophobicContact CD1-CD1 3.71Å; L63-I161 HydrophobicContact CD2-CG2 4.22Å; L63-F163 HydrophobicContact CD2-CE1 4.41Å; L63-F163 HydrophobicContact CD2-CZ 4.2Å
64T94.3Very high95.1Very high97 Ų9766.9 Ų66.960%0.59538%0.38SS*.THydrogen-bonded Turntrans-58.5131.7177.4-56.40000110.3S61 V62 K66S61-T64 WeakPolarHBondContact O-CB 3.45Å; S61-T64 PolarHBondContact O-N 2.83Å; S61-T64 PolarHBondContact O-OG1 2.8Å; V62-T64 VanDerWaalsContact C-N 3.33Å; T64-K66 PolarHBondContact O-N 2.85Å
65G93.4Very high95.3Very high82 Ų8262.4 Ų62.485%0.84536%0.361SS*.THydrogen-bonded Turntrans75.4-1.8-175.400000115L63L63-G65 PolarHBondContact O-N 3Å
66K93.5Very high95.4Very high101 Ų10162.4 Ų62.444%0.43936%0.361SS..THydrogen-bonded Turntrans-104.8-42.3174.8-60.6-66.3-176118.10112.7L63 T64 L140L63-K66 WeakPolarHBondContact O-CB 3.06Å; L63-K66 PolarHBondContact O-N 2.82Å; T64-K66 PolarHBondContact O-N 2.85Å; K66-L140 HydrophobicContact CB-CD1 4.36Å
67V96.6Very high95.6Very high11 Ų1162 Ų627%0.06736%0.363CS..SBendtrans-136.8145.1177.770.40000110F59 L63 E71 F72 L134 Y135 L138F59-V67 HydrophobicContact CE2-CG1 3.86Å; F59-V67 HydrophobicContact CZ-CG1 4.2Å; L63-V67 HydrophobicContact CB-CG1 3.95Å; L63-V67 HydrophobicContact CD1-CG1 4.27Å; L63-V67 PolarHBondContact O-N 2.89Å; V67-E71 HydrophobicContact CG2-CB 4.15Å; V67-F72 HydrophobicContact CG1-CB 4.37Å; V67-L134 HydrophobicContact CG2-CD2 4.38Å; V67-Y135 HydrophobicContact CB-CE1 4.5Å; V67-Y135 HydrophobicContact CG2-CE1 3.92Å; V67-L138 HydrophobicContact CB-CD1 3.89Å; V67-L138 HydrophobicContact CG2-CD1 3.72Å
68A96.4Very high95.7Very high54 Ų5463.5 Ų63.545%0.44636%0.362SS..  trans-67.8136.717400000110.4E70 E71 F72A68-E70 PolarHBondContact O-N 3.37Å; A68-E71 HydrophobicContact CB-CB 4.48Å; A68-E71 HydrophobicContact CB-CG 4.4Å; A68-E71 PolarHBondContact O-N 3.33Å; A68-E71 VanDerWaalsContact O-N 3.12Å; A68-F72 PolarHBondContact O-N 2.81Å; A68-F72 VanDerWaalsContact O-N 3.11Å
69P96.9Very high95.7Very high68 Ų6856.7 Ų56.744%0.44233%0.33SS..Hα-helixtrans-55-34.7177.8-28.235.5000113.8F59 F72 K73F59-P69 HydrophobicContact CD1-CG 4.44Å; F59-P69 HydrophobicContact CD2-CB 4.03Å; F59-P69 HydrophobicContact CD2-CG 4.33Å; F59-P69 HydrophobicContact CE1-CG 4.32Å; F59-P69 HydrophobicContact CE2-CB 4.27Å; F59-P69 HydrophobicContact CE2-CG 4.21Å; F59-P69 HydrophobicContact CG-CB 4.26Å; F59-P69 HydrophobicContact CG-CG 4.43Å; F59-P69 HydrophobicContact CZ-CG 4.2Å; P69-F72 PolarHBondContact O-N 2.85Å; P69-K73 VanDerWaalsContact O-CB 3.25Å; P69-K73 WeakPolarHBondContact O-CB 3.46Å; P69-K73 PolarHBondContact O-N 3.34Å
70E96.6Very high95.7Very high125 Ų12555.2 Ų55.258%0.58433%0.325SS*.Hα-helixtrans-69.5-37.3179.1-60.2-51.9139.600113.2A68 K73 T74A68-E70 PolarHBondContact O-N 3.37Å; E70-K73 PolarHBondContact O-N 2.85Å; E70-T74 WeakPolarHBondContact O-CB 3.44Å; E70-T74 PolarHBondContact O-N 3.05Å; E70-T74 PolarHBondContact O-OG1 3.24Å
71E96.8Very high95.6Very high71 Ų7156.4 Ų56.433%0.33234%0.336SS..Hα-helixtrans-68-43.9174.6-75.7-64.1155.100110.6V67 A68 K73 T74 S75 R133 L134V67-E71 HydrophobicContact CG2-CB 4.15Å; A68-E71 HydrophobicContact CB-CB 4.48Å; A68-E71 HydrophobicContact CB-CG 4.4Å; A68-E71 PolarHBondContact O-N 3.33Å; A68-E71 VanDerWaalsContact O-N 3.12Å; E71-K73 PolarHBondContact O-N 3.17Å; E71-T74 PolarHBondContact O-N 3.24Å; E71-S75 PolarHBondContact O-N 3.48Å; E71-S75 PolarHBondContact O-OG 2.96Å; E71-S75 VanDerWaalsContact O-OG 3.14Å; E71-R133 IonicContact OE2-CZ 3.8Å; E71-R133 IonicContact OE2-NH1 3.02Å; E71-R133 PolarHBondContact OE2-NH1 3.07Å; E71-R133 IonicContact OE2-NH2 2.63Å; E71-R133 PolarHBondContact OE2-NH2 3.27Å; E71-L134 HydrophobicContact CB-CD2 3.81Å; E71-L134 HydrophobicContact CG-CD2 4.02Å
72F97.3Very high95.5Very high1 Ų152.9 Ų52.90%0.00431%0.312CS..Hα-helixtrans-55.7-52.3173.5174.6-89.5000111.3M40 E58 F59 P60 L63 V67 A68 P69 T74 S75 I76 W142 I161M40-F72 HydrophobicContact CE-CE1 4.3Å; M40-F72 HydrophobicContact CE-CE2 4.07Å; M40-F72 HydrophobicContact CE-CZ 3.4Å; M40-F72 HydrophobicContact SD-CE2 3.71Å; M40-F72 HydrophobicContact SD-CZ 3.63Å; E58-F72 WeakPolarHBondContact O-CE1 3.3Å; F59-F72 HydrophobicContact CD2-CB 3.84Å; F59-F72 AromaticContact CD2-CD1 3.78Å; F59-F72 HydrophobicContact CD2-CD1 3.78Å; F59-F72 HydrophobicContact CD2-CD2 4.39Å; F59-F72 HydrophobicContact CD2-CE1 4.45Å; F59-F72 AromaticContact CD2-CG 3.74Å; F59-F72 HydrophobicContact CD2-CG 3.74Å; F59-F72 HydrophobicContact CE2-CB 3.89Å; F59-F72 HydrophobicContact CE2-CG 4.11Å; P60-F72 HydrophobicContact CG-CE2 4.01Å; P60-F72 HydrophobicContact CG-CZ 3.93Å; L63-F72 HydrophobicContact CD1-CD2 4.06Å; L63-F72 HydrophobicContact CD1-CE2 4.09Å; V67-F72 HydrophobicContact CG1-CB 4.37Å; A68-F72 PolarHBondContact O-N 2.81Å; A68-F72 VanDerWaalsContact O-N 3.11Å; P69-F72 PolarHBondContact O-N 2.85Å; F72-T74 VanDerWaalsContact C-N 3.26Å; F72-T74 PolarHBondContact O-N 2.69Å; F72-S75 PolarHBondContact O-N 3.42Å; F72-I76 HydrophobicContact CD1-CG2 4.45Å; F72-I76 HydrophobicContact CE1-CG2 4.24Å; F72-I76 WeakPolarHBondContact O-CG2 3.3Å; F72-I76 PolarHBondContact O-N 3.2Å; F72-W142 AromaticContact CD2-CH2 3.73Å; F72-W142 HydrophobicContact CD2-CH2 3.73Å; F72-W142 AromaticContact CD2-CZ2 3.53Å; F72-W142 HydrophobicContact CD2-CZ2 3.53Å; F72-W142 AromaticContact CE2-CH2 3.54Å; F72-W142 HydrophobicContact CE2-CH2 3.54Å; F72-W142 AromaticContact CE2-CZ2 3.61Å; F72-W142 HydrophobicContact CE2-CZ2 3.61Å; F72-W142 HydrophobicContact CZ-CH2 4.33Å; F72-I161 HydrophobicContact CE2-CD1 4.02Å
73K96.9Very high95.2Very high115 Ų11548.6 Ų48.650%0.529%0.285SS..Hα-helixtrans-59.1-38.7179.6-173.1176.9-179.8-178.30111.6P69 E70 E71 I76 S77P69-K73 VanDerWaalsContact O-CB 3.25Å; P69-K73 WeakPolarHBondContact O-CB 3.46Å; P69-K73 PolarHBondContact O-N 3.34Å; E70-K73 PolarHBondContact O-N 2.85Å; E71-K73 PolarHBondContact O-N 3.17Å; K73-I76 WeakPolarHBondContact O-CG2 3.39Å; K73-S77 WeakPolarHBondContact O-CB 3.42Å; K73-S77 PolarHBondContact O-N 3.29Å; K73-S77 PolarHBondContact O-OG 3.36Å
74T97.3Very high94.8Very high55 Ų5556.5 Ų56.534%0.33732%0.32SS..Hα-helixtrans-65.3-49.1176-62.70000111.6E70 E71 F72 S77 R78E70-T74 WeakPolarHBondContact O-CB 3.44Å; E70-T74 PolarHBondContact O-N 3.05Å; E70-T74 PolarHBondContact O-OG1 3.24Å; E71-T74 PolarHBondContact O-N 3.24Å; F72-T74 VanDerWaalsContact C-N 3.26Å; F72-T74 PolarHBondContact O-N 2.69Å; T74-S77 PolarHBondContact O-N 3.33Å; T74-R78 WeakPolarHBondContact O-CG 3.37Å; T74-R78 PolarHBondContact O-N 3.28Å
75S97.2Very high94.2Very high1 Ų160 Ų601%0.00733%0.327CS..Hα-helixtrans-60.4-49.4179.2-58.10000111.6E71 F72 S77 R78 V79 E130 Y135E71-S75 PolarHBondContact O-N 3.48Å; E71-S75 PolarHBondContact O-OG 2.96Å; E71-S75 VanDerWaalsContact O-OG 3.14Å; F72-S75 PolarHBondContact O-N 3.42Å; S75-S77 VanDerWaalsContact C-N 3.31Å; S75-S77 PolarHBondContact O-N 3.03Å; S75-R78 WeakPolarHBondContact O-CB 3.41Å; S75-R78 PolarHBondContact O-N 2.86Å; S75-V79 PolarHBondContact O-N 2.89Å; S75-V79 VanDerWaalsContact O-N 3.15Å; S75-E130 VanDerWaalsContact OG-CD 3.24Å; S75-E130 PolarHBondContact OG-OE2 3.01Å; S75-Y135 WeakPolarHBondContact CB-OH 3.33Å; S75-Y135 WeakPolarHBondContact OG-CE2 3.37Å; S75-Y135 PolarHBondContact OG-OH 3.33Å
76I96.8Very high93.2Very high0 Ų057.9 Ų57.90%030%0.296CS..Hα-helixtrans-67.3-33.1179.8-164.363.5000112.1M40 F55 D56 T57 F72 K73 R78 V79 N80 W142 I159M40-I76 HydrophobicContact CE-CD1 3.52Å; M40-I76 HydrophobicContact CE-CG1 3.81Å; F55-I76 HydrophobicContact CB-CD1 3.79Å; F55-I76 HydrophobicContact CB-CG1 4.46Å; D56-I76 WeakPolarHBondContact O-CG1 3.31Å; T57-I76 HydrophobicContact CG2-CG1 4.43Å; T57-I76 HydrophobicContact CG2-CG2 4.06Å; F72-I76 HydrophobicContact CD1-CG2 4.45Å; F72-I76 HydrophobicContact CE1-CG2 4.24Å; F72-I76 WeakPolarHBondContact O-CG2 3.3Å; F72-I76 PolarHBondContact O-N 3.2Å; K73-I76 WeakPolarHBondContact O-CG2 3.39Å; I76-R78 VanDerWaalsContact C-N 3.35Å; I76-R78 PolarHBondContact O-N 3.32Å; I76-V79 HydrophobicContact CD1-CB 4.43Å; I76-V79 WeakPolarHBondContact O-CB 3.5Å; I76-V79 PolarHBondContact O-N 2.97Å; I76-N80 WeakPolarHBondContact O-CB 3.33Å; I76-N80 PolarHBondContact O-N 3.39Å; I76-W142 HydrophobicContact CB-CH2 4.5Å; I76-W142 HydrophobicContact CD1-CZ3 4.17Å; I76-I159 HydrophobicContact CD1-CD1 3.85Å
77S96.4Very high92.1Very high56 Ų5653.8 Ų53.839%0.39228%0.279SS..Hα-helixtrans-64.4-38.3174.5-66.10000112K73 T74 S75 N80 A81K73-S77 WeakPolarHBondContact O-CB 3.42Å; K73-S77 PolarHBondContact O-N 3.29Å; K73-S77 PolarHBondContact O-OG 3.36Å; T74-S77 PolarHBondContact O-N 3.33Å; S75-S77 VanDerWaalsContact C-N 3.31Å; S75-S77 PolarHBondContact O-N 3.03Å; S77-N80 PolarHBondContact O-N 3.4Å; S77-A81 WeakPolarHBondContact O-CB 3.44Å; S77-A81 PolarHBondContact O-N 3.18Å
78R95.6Very high90.8Very high91 Ų9156.7 Ų56.734%0.34330%0.298SS..Hα-helixtrans-63.9-41.2173.2-71.2173.1-178147.73.1111.6T74 S75 I76 A81 C82 L126 E130T74-R78 WeakPolarHBondContact O-CG 3.37Å; T74-R78 PolarHBondContact O-N 3.28Å; S75-R78 WeakPolarHBondContact O-CB 3.41Å; S75-R78 PolarHBondContact O-N 2.86Å; I76-R78 VanDerWaalsContact C-N 3.35Å; I76-R78 PolarHBondContact O-N 3.32Å; R78-A81 PolarHBondContact O-N 2.97Å; R78-C82 PolarHBondContact O-N 3.14Å; R78-L126 HydrophobicContact CB-CD1 4.46Å; R78-L126 HydrophobicContact CB-CD2 4.14Å; R78-E130 VanDerWaalsContact CD-OE1 3.28Å; R78-E130 WeakPolarHBondContact CD-OE1 3.48Å; R78-E130 IonicContact CZ-OE1 3.68Å; R78-E130 IonicContact NE-OE1 3.9Å; R78-E130 IonicContact NH1-OE1 2.7Å; R78-E130 PolarHBondContact NH1-OE1 3.07Å; R78-E130 IonicContact NH1-OE2 3.74Å
79V95.8Very high89.8Confident1 Ų157.4 Ų57.41%0.00630%0.297CS..Hα-helixtrans-61.2-49.6174.9175.50000110.8F55 S75 I76 A81 C82 L83 I123 L126 L127 I159F55-V79 HydrophobicContact CD2-CG1 3.98Å; F55-V79 HydrophobicContact CE2-CG1 4.36Å; S75-V79 PolarHBondContact O-N 2.89Å; S75-V79 VanDerWaalsContact O-N 3.15Å; I76-V79 HydrophobicContact CD1-CB 4.43Å; I76-V79 WeakPolarHBondContact O-CB 3.5Å; I76-V79 PolarHBondContact O-N 2.97Å; V79-A81 VanDerWaalsContact C-N 3.3Å; V79-A81 PolarHBondContact O-N 3.22Å; V79-C82 WeakPolarHBondContact O-CB 3.42Å; V79-C82 PolarHBondContact O-N 3.05Å; V79-C82 VanDerWaalsContact O-N 3.1Å; V79-L83 HydrophobicContact CG1-CD1 4.24Å; V79-L83 PolarHBondContact O-N 2.65Å; V79-I123 HydrophobicContact CG1-CG2 4.21Å; V79-L126 HydrophobicContact CB-CD2 4.36Å; V79-L126 HydrophobicContact CG2-CD2 3.84Å; V79-L126 HydrophobicContact CG2-CG 4.49Å; V79-L127 HydrophobicContact CG2-CD2 3.87Å; V79-I159 HydrophobicContact CG1-CD1 4.04Å
80N94.6Very high88.6Confident23 Ų2354.4 Ų54.412%0.12328%0.277CS..Hα-helixtrans-62.6-35.9178.1-77-26.5000112.5K54 F55 T57 I76 S77 L83 K84K54-N80 WeakPolarHBondContact CA-OD1 3.48Å; F55-N80 PolarHBondContact N-OD1 3.22Å; F55-N80 PolarHBondContact O-ND2 2.91Å; F55-N80 VanDerWaalsContact O-ND2 3.07Å; T57-N80 WeakPolarHBondContact CG2-ND2 3.4Å; I76-N80 WeakPolarHBondContact O-CB 3.33Å; I76-N80 PolarHBondContact O-N 3.39Å; S77-N80 PolarHBondContact O-N 3.4Å; N80-L83 PolarHBondContact O-N 3.32Å; N80-K84 WeakPolarHBondContact O-CB 3.34Å; N80-K84 PolarHBondContact O-N 2.93Å
81A93.4Very high87.6Confident47 Ų4750.7 Ų50.739%0.38826%0.262SS..Hα-helixtrans-65.7-39.2173.100000112.3S77 R78 V79 K85S77-A81 WeakPolarHBondContact O-CB 3.44Å; S77-A81 PolarHBondContact O-N 3.18Å; R78-A81 PolarHBondContact O-N 2.97Å; V79-A81 VanDerWaalsContact C-N 3.3Å; V79-A81 PolarHBondContact O-N 3.22Å; A81-K85 WeakPolarHBondContact O-CG 3.13Å; A81-K85 PolarHBondContact O-N 3.15Å
82C91.1Very high86.9Confident19 Ų1954.8 Ų54.813%0.12828%0.279CS..Hα-helixtrans-62.2-45.2174.1-173.90000111.3R78 V79 K85 N86 S122 L126R78-C82 PolarHBondContact O-N 3.14Å; V79-C82 WeakPolarHBondContact O-CB 3.42Å; V79-C82 PolarHBondContact O-N 3.05Å; V79-C82 VanDerWaalsContact O-N 3.1Å; C82-K85 PolarHBondContact O-N 2.91Å; C82-N86 PolarHBondContact O-N 3.49Å; C82-N86 PolarHBondContact O-ND2 2.89Å; C82-S122 PolarHBondContact SG-OG 2.93Å; C82-L126 HydrophobicContact CB-CD2 4.27Å
83L88.9Confident86Confident3 Ų360.9 Ų60.92%0.01630%0.302CS..Hα-helixtrans-60.3-49.2176.6-76.6166.7000112.2L51 S52 N53 F55 V79 N80 K85 N86 L87 I123L51-L83 HydrophobicContact CD1-CD2 4.24Å; L51-L83 HydrophobicContact CD2-CD2 3.96Å; L51-L83 HydrophobicContact CG-CD2 4.01Å; S52-L83 WeakPolarHBondContact O-CD2 3.3Å; N53-L83 WeakPolarHBondContact O-CB 3.37Å; F55-L83 HydrophobicContact CD2-CD1 3.55Å; F55-L83 HydrophobicContact CE2-CD1 3.68Å; V79-L83 HydrophobicContact CG1-CD1 4.24Å; V79-L83 PolarHBondContact O-N 2.65Å; N80-L83 PolarHBondContact O-N 3.32Å; L83-K85 PolarHBondContact O-N 2.91Å; L83-N86 PolarHBondContact O-N 2.83Å; L83-N86 VanDerWaalsContact O-N 3.12Å; L83-L87 PolarHBondContact O-N 3.21Å; L83-L87 VanDerWaalsContact O-N 3.09Å; L83-I123 HydrophobicContact CD2-CD1 3.41Å; L83-I123 VanDerWaalsContact CD2-CD1 3.41Å; L83-I123 HydrophobicContact CD2-CG1 4.46Å; L83-I123 HydrophobicContact CG-CD1 3.93Å
84K85Confident85Confident166 Ų16658.2 Ų58.272%0.72229%0.293SS*.Hα-helixtrans-59.3-33.3-179-168.9175-178.2179.90112.9N80 P88N80-K84 WeakPolarHBondContact O-CB 3.34Å; N80-K84 PolarHBondContact O-N 2.93Å; K84-P88 WeakPolarHBondContact O-CD 3.49Å
85K81.7Confident84.1Confident170 Ų17061.2 Ų61.274%0.73931%0.306SS*.Hα-helixtrans-72.6-35177.5-72.8177.2-179.2-177.70113.3A81 C82 L83A81-K85 WeakPolarHBondContact O-CG 3.13Å; A81-K85 PolarHBondContact O-N 3.15Å; C82-K85 PolarHBondContact O-N 2.91Å; L83-K85 PolarHBondContact O-N 2.91Å
86N71.9Confident83.1Confident37 Ų3764.5 Ų64.520%0.19833%0.329CS..Hα-helixtrans-85.9-26.6-175.7-73.1-76.7000113.1C82 L83 N90 A119C82-N86 PolarHBondContact O-N 3.49Å; C82-N86 PolarHBondContact O-ND2 2.89Å; L83-N86 PolarHBondContact O-N 2.83Å; L83-N86 VanDerWaalsContact O-N 3.12Å; N86-N90 PolarHBondContact O-N 3.45Å; N86-N90 PolarHBondContact O-ND2 3.04Å; N86-N90 PolarHBondContact O-OD1 2.87Å; N86-A119 HydrophobicContact CB-CB 4.09Å
87L70.6Confident82.1Confident15 Ų1564.8 Ų64.88%0.07933%0.332CS..Hα-helixtrans-67.4-43.4-169.8-148.590.2000116.1I46 V48 N53 L83 V89 N90 V91I46-L87 HydrophobicContact CB-CD2 3.94Å; I46-L87 HydrophobicContact CD1-CD2 3.89Å; I46-L87 HydrophobicContact CG1-CD2 4.46Å; I46-L87 HydrophobicContact CG2-CD2 3.83Å; V48-L87 HydrophobicContact CG2-CD1 4.47Å; N53-L87 HydrophobicContact CB-CD1 3.64Å; N53-L87 HydrophobicContact CB-CD2 3.29Å; N53-L87 HydrophobicContact CB-CG 3.99Å; L83-L87 PolarHBondContact O-N 3.21Å; L83-L87 VanDerWaalsContact O-N 3.09Å; L87-V89 PolarHBondContact O-N 2.97Å; L87-N90 PolarHBondContact O-N 3.02Å; L87-N90 VanDerWaalsContact O-N 3.11Å; L87-V91 HydrophobicContact CG-CG2 4.43Å; L87-V91 WeakPolarHBondContact O-CG2 3.47Å; L87-V91 PolarHBondContact O-N 3.26Å
88P70.4Confident81Confident73 Ų7366 Ų6647%0.47434%0.339SS..Hα-helixtrans-62.8-34-177.8-20.631.2000112.3K84 K92K84-P88 WeakPolarHBondContact O-CD 3.49Å; P88-K92 VanDerWaalsContact O-CG 3.3Å; P88-K92 WeakPolarHBondContact O-CG 3.09Å; P88-K92 PolarHBondContact O-N 2.8Å; P88-K92 VanDerWaalsContact O-N 3.15Å
89V74.9Confident80Confident69 Ų6968.8 Ų68.842%0.41836%0.36SS..Hα-helixtrans-65.9-51.8173.9-179.70000108.8L87 V91 K92 W93 L115L87-V89 PolarHBondContact O-N 2.97Å; V89-V91 VanDerWaalsContact C-N 3.31Å; V89-V91 PolarHBondContact O-N 3.32Å; V89-K92 PolarHBondContact O-N 2.58Å; V89-W93 PolarHBondContact O-N 2.71Å; V89-L115 HydrophobicContact CG1-CD1 4.41Å; V89-L115 HydrophobicContact CG1-CD2 4.33Å
90N72.1Confident78.5Confident5 Ų571.9 Ų71.93%0.02738%0.381CS..Hα-helixtrans-57.2-41.5-179.7-62.2-5.1000113N86 L87 L94 L115N86-N90 PolarHBondContact O-N 3.45Å; N86-N90 PolarHBondContact O-ND2 3.04Å; N86-N90 PolarHBondContact O-OD1 2.87Å; L87-N90 PolarHBondContact O-N 3.02Å; L87-N90 VanDerWaalsContact O-N 3.11Å; N90-L94 WeakPolarHBondContact O-CB 3.32Å; N90-L94 PolarHBondContact O-N 2.81Å; N90-L115 WeakPolarHBondContact OD1-CB 3.43Å
91V76.1Confident76.9Confident46 Ų4673 Ų7328%0.27939%0.39SS..Hα-helixtrans-68.1-43.9179.2174.50000111.5L87 V89 W93 L94 L95L87-V91 HydrophobicContact CG-CG2 4.43Å; L87-V91 WeakPolarHBondContact O-CG2 3.47Å; L87-V91 PolarHBondContact O-N 3.26Å; V89-V91 VanDerWaalsContact C-N 3.31Å; V89-V91 PolarHBondContact O-N 3.32Å; V91-W93 VanDerWaalsContact C-N 3.31Å; V91-W93 PolarHBondContact O-N 3.02Å; V91-L94 PolarHBondContact O-N 2.82Å; V91-L95 HydrophobicContact CG1-CD1 4.06Å; V91-L95 HydrophobicContact CG1-CG 4.39Å; V91-L95 WeakPolarHBondContact O-CG 3.38Å; V91-L95 PolarHBondContact O-N 2.85Å
92K80Confident75.3Confident158 Ų15876.6 Ų76.669%0.68741%0.411SS*.Hα-helixtrans-59.1-43.3176.2-75.8178.5178.7-175.70111.9P88 V89 C96P88-K92 VanDerWaalsContact O-CG 3.3Å; P88-K92 WeakPolarHBondContact O-CG 3.09Å; P88-K92 PolarHBondContact O-N 2.8Å; P88-K92 VanDerWaalsContact O-N 3.15Å; V89-K92 PolarHBondContact O-N 2.58Å; K92-C96 WeakPolarHBondContact O-CB 3.5Å; K92-C96 PolarHBondContact O-N 2.82Å; K92-C96 VanDerWaalsContact O-N 3.09Å
93W79Confident73.8Confident129 Ų12981.1 Ų81.149%0.48944%0.442SS..Hα-helixtrans-69.9-35.2176.6-76.499.1000112.8V89 V91 G97 P111 V112 L115V89-W93 PolarHBondContact O-N 2.71Å; V91-W93 VanDerWaalsContact C-N 3.31Å; V91-W93 PolarHBondContact O-N 3.02Å; W93-G97 PolarHBondContact O-N 3.25Å; W93-P111 HydrophobicContact CE3-CB 4.14Å; W93-P111 HydrophobicContact CZ3-CB 4.46Å; W93-V112 HydrophobicContact CB-CG2 4.37Å; W93-V112 WeakPolarHBondContact O-CG2 3.43Å; W93-L115 HydrophobicContact CB-CD1 3.58Å; W93-L115 HydrophobicContact CD2-CD1 4.18Å; W93-L115 HydrophobicContact CG-CD1 3.42Å; W93-L115 VanDerWaalsContact CG-CD1 3.42Å
94L77Confident72.5Confident59 Ų5983.6 Ų83.631%0.30946%0.457SS..Hα-helixtrans-62.5-46.9174.1-178.667.8000111.7N90 V91 G97 C98 V112N90-L94 WeakPolarHBondContact O-CB 3.32Å; N90-L94 PolarHBondContact O-N 2.81Å; V91-L94 PolarHBondContact O-N 2.82Å; L94-G97 PolarHBondContact O-N 2.86Å; L94-C98 VanDerWaalsContact O-CB 3.27Å; L94-C98 WeakPolarHBondContact O-CB 3.31Å; L94-C98 PolarHBondContact O-N 2.85Å; L94-V112 HydrophobicContact CB-CG1 3.82Å; L94-V112 HydrophobicContact CD1-CG1 3.88Å; L94-V112 HydrophobicContact CG-CG1 4.43Å
95L77.9Confident71.7Confident117 Ų11782.8 Ų82.861%0.61347%0.466SS*.Hα-helixtrans-63.3-43.9178.6-69172.5000111.5V91 C98 L99V91-L95 HydrophobicContact CG1-CD1 4.06Å; V91-L95 HydrophobicContact CG1-CG 4.39Å; V91-L95 WeakPolarHBondContact O-CG 3.38Å; V91-L95 PolarHBondContact O-N 2.85Å; L95-C98 PolarHBondContact O-N 2.78Å; L95-L99 WeakPolarHBondContact O-CB 3.27Å; L95-L99 PolarHBondContact O-N 3.32Å
96C76.8Confident71Confident70 Ų7076 Ų7647%0.47344%0.444SS..Hα-helixtrans-61.6-46.8174.7-176.30000112K92 C98 L99 C100K92-C96 WeakPolarHBondContact O-CB 3.5Å; K92-C96 PolarHBondContact O-N 2.82Å; K92-C96 VanDerWaalsContact O-N 3.09Å; C96-C98 VanDerWaalsContact C-N 3.32Å; C96-C98 PolarHBondContact O-N 3.42Å; C96-L99 PolarHBondContact O-N 3.15Å; C96-C100 PolarHBondContact O-N 2.97Å
97G74.1Confident70.9Confident6 Ų682.4 Ų82.46%0.06247%0.47CS..Hα-helixtrans-65.1-33.6179.400000113.6W93 L94 C101 S108W93-G97 PolarHBondContact O-N 3.25Å; L94-G97 PolarHBondContact O-N 2.86Å; G97-C101 WeakPolarHBondContact O-CA 3.37Å; G97-C101 WeakPolarHBondContact O-CB 3.33Å; G97-C101 PolarHBondContact O-N 3.41Å; G97-C101 VanDerWaalsContact O-N 3.09Å; G97-S108 PolarHBondContact O-OG 2.94Å
98C73.8Confident70.9Confident81 Ų8183 Ų8355%0.54748%0.476SS..Hα-helixtrans-71.9-42.2176.1-172.70000111.9L94 L95 C96 C100 C101L94-C98 VanDerWaalsContact O-CB 3.27Å; L94-C98 WeakPolarHBondContact O-CB 3.31Å; L94-C98 PolarHBondContact O-N 2.85Å; L95-C98 PolarHBondContact O-N 2.78Å; C96-C98 VanDerWaalsContact C-N 3.32Å; C96-C98 PolarHBondContact O-N 3.42Å; C98-C100 PolarHBondContact O-N 3.4Å; C98-C101 WeakPolarHBondContact O-CB 3.43Å; C98-C101 PolarHBondContact O-N 2.81Å; C98-C101 VanDerWaalsContact O-N 3.14Å
99L74.5Confident70.8Confident150 Ų15081.7 Ų81.779%0.78547%0.465SS*.Hα-helixtrans-61.6-32.9176.1-171.763.9000112.3L95 C96L95-L99 WeakPolarHBondContact O-CB 3.27Å; L95-L99 PolarHBondContact O-N 3.32Å; C96-L99 PolarHBondContact O-N 3.15Å
100C64.7Low71Confident66 Ų6686 Ų8645%0.44647%0.473SS..THydrogen-bonded Turntrans-95.52.6177.9-62.10000114.2C96 C98 C102 C103C96-C100 PolarHBondContact O-N 2.97Å; C98-C100 PolarHBondContact O-N 3.4Å; C100-C102 VanDerWaalsContact C-N 3.31Å; C100-C102 PolarHBondContact O-N 3.41Å; C100-C103 PolarHBondContact O-N 2.97Å
101C60.9Low71.2Confident47 Ų4788.2 Ų88.232%0.31849%0.488SS..G310 helixtrans-66.6-27.6-170.61790000113.6G97 C98 C103G97-C101 WeakPolarHBondContact O-CA 3.37Å; G97-C101 WeakPolarHBondContact O-CB 3.33Å; G97-C101 PolarHBondContact O-N 3.41Å; G97-C101 VanDerWaalsContact O-N 3.09Å; C98-C101 WeakPolarHBondContact O-CB 3.43Å; C98-C101 PolarHBondContact O-N 2.81Å; C98-C101 VanDerWaalsContact O-N 3.14Å; C101-C103 PolarHBondContact O-N 3.1Å; C101-C103 VanDerWaalsContact O-N 3.12Å
102C60.2Low71.2Confident123 Ų12386 Ų8683%0.83148%0.475SS*.G310 helixtrans-66-16.8-175.6-48.90000113.5C100C100-C102 VanDerWaalsContact C-N 3.31Å; C100-C102 PolarHBondContact O-N 3.41Å
103C59.7Low71.2Confident113 Ų11381.2 Ų81.276%0.76446%0.456SS*.G310 helixtrans-109.7-7-167.2-54.60000114.6C100 C101C100-C103 PolarHBondContact O-N 2.97Å; C101-C103 PolarHBondContact O-N 3.1Å; C101-C103 VanDerWaalsContact O-N 3.12Å
104T61.1Low71.3Confident55 Ų5577.4 Ų77.434%0.33745%0.449SS..THydrogen-bonded Turntrans-134.316.8-169.2610000115.4G106 F107 S108T104-G106 PolarHBondContact O-N 3.43Å; T104-F107 WeakPolarHBondContact O-CD2 3.01Å; T104-F107 PolarHBondContact O-N 3.39Å; T104-S108 WeakPolarHBondContact OG1-CB 3.43Å; T104-S108 PolarHBondContact OG1-N 3.38Å; T104-S108 PolarHBondContact OG1-OG 2.84Å
105V69.3Low71.4Confident150 Ų15076.2 Ų76.291%0.90944%0.442SS*.THydrogen-bonded Turntrans50.531.8178.7-159.70000112.3
106G66.3Low71.6Confident28 Ų2870.8 Ų70.829%0.28941%0.414SS..THydrogen-bonded Turntrans92.1-1.8177.100000117.2T104 S108 L109T104-G106 PolarHBondContact O-N 3.43Å; G106-S108 PolarHBondContact O-N 3.44Å; G106-L109 WeakPolarHBondContact O-CB 3.36Å; G106-L109 PolarHBondContact O-N 2.96Å; G106-L109 VanDerWaalsContact O-N 3.11Å
107F70.2Confident72.1Confident170 Ų17071.1 Ų71.175%0.74641%0.407SS*.G310 helixtrans-61.5-30.5174.7-81.2-77.6000112.9T104 L109 W110T104-F107 WeakPolarHBondContact O-CD2 3.01Å; T104-F107 PolarHBondContact O-N 3.39Å; F107-L109 PolarHBondContact O-N 3.45Å; F107-L109 VanDerWaalsContact O-N 3.09Å; F107-W110 WeakPolarHBondContact O-CB 3.31Å; F107-W110 PolarHBondContact O-N 2.93Å; F107-W110 VanDerWaalsContact O-N 3.13Å
108S69.9Low72.7Confident27 Ų2779.2 Ų79.219%0.18944%0.436CS..G310 helixtrans-61.4-15175.364.50000114.4G97 T104 G106 P111G97-S108 PolarHBondContact O-OG 2.94Å; T104-S108 WeakPolarHBondContact OG1-CB 3.43Å; T104-S108 PolarHBondContact OG1-N 3.38Å; T104-S108 PolarHBondContact OG1-OG 2.84Å; G106-S108 PolarHBondContact O-N 3.44Å; S108-P111 WeakPolarHBondContact O-CD 3.22Å
109L68.7Low73.4Confident47 Ų4775.4 Ų75.425%0.24641%0.411CS..G310 helixtrans-89.4-13178.9-60.8175.5000113.2G106 F107 P111 V112 I113G106-L109 WeakPolarHBondContact O-CB 3.36Å; G106-L109 PolarHBondContact O-N 2.96Å; G106-L109 VanDerWaalsContact O-N 3.11Å; F107-L109 PolarHBondContact O-N 3.45Å; F107-L109 VanDerWaalsContact O-N 3.09Å; L109-P111 VanDerWaalsContact C-CD 3.46Å; L109-V112 WeakPolarHBondContact O-CB 3.48Å; L109-V112 PolarHBondContact O-N 3.28Å; L109-I113 WeakPolarHBondContact O-CG1 3.43Å; L109-I113 PolarHBondContact O-N 3.4Å
110W78.8Confident74.2Confident158 Ų15871 Ų7160%0.59838%0.384SS*.Hα-helixtrans-54.6-42.2178.8-175-100.3000114.1F107 V112 I113 C114F107-W110 WeakPolarHBondContact O-CB 3.31Å; F107-W110 PolarHBondContact O-N 2.93Å; F107-W110 VanDerWaalsContact O-N 3.13Å; W110-V112 VanDerWaalsContact C-N 3.29Å; W110-V112 PolarHBondContact O-N 3.05Å; W110-I113 PolarHBondContact O-N 2.97Å; W110-C114 PolarHBondContact NE1-SG 3.44Å; W110-C114 VanDerWaalsContact NE1-SG 3.38Å; W110-C114 WeakPolarHBondContact O-CB 3.28Å; W110-C114 PolarHBondContact O-N 3.44Å; W110-C114 PolarHBondContact O-SG 3.48Å
111P76.8Confident75.6Confident52 Ų5275.4 Ų75.434%0.33839%0.391SS..Hα-helixtrans-58.2-40.3174.2-25.236.2000112.6W93 S108 L109 C114 L115W93-P111 HydrophobicContact CE3-CB 4.14Å; W93-P111 HydrophobicContact CZ3-CB 4.46Å; S108-P111 WeakPolarHBondContact O-CD 3.22Å; L109-P111 VanDerWaalsContact C-CD 3.46Å; P111-C114 PolarHBondContact O-N 3.13Å; P111-L115 WeakPolarHBondContact O-CB 3.37Å; P111-L115 VanDerWaalsContact O-CG 3.27Å; P111-L115 WeakPolarHBondContact O-CG 3.44Å; P111-L115 PolarHBondContact O-N 2.7Å
112V76.8Confident77.1Confident1 Ų175.5 Ų75.51%0.00639%0.392CS..Hα-helixtrans-69.8-40.1-179.2-160.50000111.1F49 W93 L94 L109 W110 C114 L115 N116F49-V112 HydrophobicContact CE2-CB 4.28Å; F49-V112 HydrophobicContact CE2-CG1 3.8Å; F49-V112 HydrophobicContact CZ-CG1 4.49Å; W93-V112 HydrophobicContact CB-CG2 4.37Å; W93-V112 WeakPolarHBondContact O-CG2 3.43Å; L94-V112 HydrophobicContact CB-CG1 3.82Å; L94-V112 HydrophobicContact CD1-CG1 3.88Å; L94-V112 HydrophobicContact CG-CG1 4.43Å; L109-V112 WeakPolarHBondContact O-CB 3.48Å; L109-V112 PolarHBondContact O-N 3.28Å; W110-V112 VanDerWaalsContact C-N 3.29Å; W110-V112 PolarHBondContact O-N 3.05Å; V112-C114 VanDerWaalsContact C-N 3.34Å; V112-L115 PolarHBondContact O-N 2.94Å; V112-N116 WeakPolarHBondContact O-CB 3.33Å; V112-N116 PolarHBondContact O-N 2.96Å
113I79.7Confident78.7Confident57 Ų5769.7 Ų69.729%0.29235%0.353SS..Hα-helixtrans-62.4-43.7174.2-64.1168000110.3F49 L109 W110 N116 K117F49-I113 HydrophobicContact CE2-CG1 4.48Å; F49-I113 HydrophobicContact CZ-CG1 4.13Å; L109-I113 WeakPolarHBondContact O-CG1 3.43Å; L109-I113 PolarHBondContact O-N 3.4Å; W110-I113 PolarHBondContact O-N 2.97Å; I113-N116 PolarHBondContact O-N 3.24Å; I113-K117 WeakPolarHBondContact O-CG 3.48Å; I113-K117 PolarHBondContact O-N 3.36Å
114C80.5Confident80.5Confident49 Ų4968.9 Ų68.933%0.33134%0.338SS..Hα-helixtrans-63.7-42.5177.4-72.90000112.3W110 P111 V112 K117 R118W110-C114 PolarHBondContact NE1-SG 3.44Å; W110-C114 VanDerWaalsContact NE1-SG 3.38Å; W110-C114 WeakPolarHBondContact O-CB 3.28Å; W110-C114 PolarHBondContact O-N 3.44Å; W110-C114 PolarHBondContact O-SG 3.48Å; P111-C114 PolarHBondContact O-N 3.13Å; V112-C114 VanDerWaalsContact C-N 3.34Å; C114-K117 WeakPolarHBondContact O-CB 3.28Å; C114-K117 PolarHBondContact O-N 2.87Å; C114-R118 PolarHBondContact O-N 2.99Å
115L78.3Confident82.2Confident33 Ų3373.4 Ų73.417%0.17335%0.353CS..Hα-helixtrans-63.1-41.2175.6-77.6172.8000112.2V89 N90 W93 P111 V112 R118 A119V89-L115 HydrophobicContact CG1-CD1 4.41Å; V89-L115 HydrophobicContact CG1-CD2 4.33Å; N90-L115 WeakPolarHBondContact OD1-CB 3.43Å; W93-L115 HydrophobicContact CB-CD1 3.58Å; W93-L115 HydrophobicContact CD2-CD1 4.18Å; W93-L115 HydrophobicContact CG-CD1 3.42Å; W93-L115 VanDerWaalsContact CG-CD1 3.42Å; P111-L115 WeakPolarHBondContact O-CB 3.37Å; P111-L115 VanDerWaalsContact O-CG 3.27Å; P111-L115 WeakPolarHBondContact O-CG 3.44Å; P111-L115 PolarHBondContact O-N 2.7Å; V112-L115 PolarHBondContact O-N 2.94Å; L115-R118 WeakPolarHBondContact O-CB 3.41Å; L115-R118 PolarHBondContact O-N 2.93Å; L115-A119 PolarHBondContact O-N 2.9Å
116N83.1Confident83.5Confident3 Ų368 Ų682%0.01632%0.318CS..Hα-helixtrans-64.8-42.8173.8-170-72.9000111.8V48 F49 V112 I113 R118 A119 R120V48-N116 PolarHBondContact O-ND2 3.44Å; F49-N116 HydrophobicContact CD2-CB 3.94Å; V112-N116 WeakPolarHBondContact O-CB 3.33Å; V112-N116 PolarHBondContact O-N 2.96Å; I113-N116 PolarHBondContact O-N 3.24Å; N116-R118 VanDerWaalsContact C-N 3.28Å; N116-R118 PolarHBondContact O-N 3.25Å; N116-A119 PolarHBondContact O-N 3.44Å; N116-R120 WeakPolarHBondContact O-CG 3.39Å; N116-R120 PolarHBondContact O-N 3.11Å; N116-R120 PolarHBondContact OD1-NE 3.23Å
117K87.1Confident85Confident77 Ų7766.8 Ų66.834%0.33531%0.305SS..Hα-helixtrans-56.3-42171.3-78.2177.1-179.7178.20111.4I113 C114 R120 R121I113-K117 WeakPolarHBondContact O-CG 3.48Å; I113-K117 PolarHBondContact O-N 3.36Å; C114-K117 WeakPolarHBondContact O-CB 3.28Å; C114-K117 PolarHBondContact O-N 2.87Å; K117-R120 PolarHBondContact O-N 3.28Å; K117-R121 WeakPolarHBondContact O-CG 3.46Å; K117-R121 PolarHBondContact O-N 2.8Å
118R87.6Confident86.3Confident176 Ų17664.3 Ų64.366%0.66430%0.296SS*.Hα-helixtrans-62.7-47.8177.3-177178.5-175.8145.71.9111.9C114 L115 N116 R120 R121 S122C114-R118 PolarHBondContact O-N 2.99Å; L115-R118 WeakPolarHBondContact O-CB 3.41Å; L115-R118 PolarHBondContact O-N 2.93Å; N116-R118 VanDerWaalsContact C-N 3.28Å; N116-R118 PolarHBondContact O-N 3.25Å; R118-R120 VanDerWaalsContact C-N 3.34Å; R118-R120 PolarHBondContact O-N 3.09Å; R118-R121 PolarHBondContact O-N 3.3Å; R118-S122 PolarHBondContact O-N 3.34Å
119A87.8Confident87.6Confident2 Ų269.2 Ų69.22%0.01731%0.311CS..Hα-helixtrans-59-46177.500000111.3L51 N86 L115 N116 R121 S122 I123L51-A119 HydrophobicContact CD2-CB 4.24Å; N86-A119 HydrophobicContact CB-CB 4.09Å; L115-A119 PolarHBondContact O-N 2.9Å; N116-A119 PolarHBondContact O-N 3.44Å; A119-R121 PolarHBondContact O-N 3.4Å; A119-S122 WeakPolarHBondContact O-CB 3.25Å; A119-S122 PolarHBondContact O-N 3.11Å; A119-I123 WeakPolarHBondContact O-CG1 3.3Å; A119-I123 PolarHBondContact O-N 2.86Å
120R91.8Very high89Confident57 Ų5767 Ų6722%0.21530%0.299CS..Hα-helixtrans-58.5-48.1176.5-72.6-175.9-74145.9-13.9112.8L51 N116 K117 R118 S122 I123 Q124 L144 Y157L51-R120 HydrophobicContact CD2-CG 4.15Å; N116-R120 WeakPolarHBondContact O-CG 3.39Å; N116-R120 PolarHBondContact O-N 3.11Å; N116-R120 PolarHBondContact OD1-NE 3.23Å; K117-R120 PolarHBondContact O-N 3.28Å; R118-R120 VanDerWaalsContact C-N 3.34Å; R118-R120 PolarHBondContact O-N 3.09Å; R120-S122 VanDerWaalsContact C-N 3.28Å; R120-S122 PolarHBondContact O-N 3.12Å; R120-I123 PolarHBondContact O-N 3.35Å; R120-Q124 WeakPolarHBondContact O-CG 3.41Å; R120-Q124 PolarHBondContact O-N 3.3Å; R120-L144 HydrophobicContact CB-CD2 4.38Å; R120-L144 HydrophobicContact CG-CD2 4.31Å; R120-Y157 PolarHBondContact NH1-OH 3.12Å
121R92.4Very high90Very high158 Ų15859.7 Ų59.760%0.59627%0.272SS*.Hα-helixtrans-60.2-39176.5-71.5175.3-169.7166.40.6112K117 R118 A119 I123 Q124 K125K117-R121 WeakPolarHBondContact O-CG 3.46Å; K117-R121 PolarHBondContact O-N 2.8Å; R118-R121 PolarHBondContact O-N 3.3Å; A119-R121 PolarHBondContact O-N 3.4Å; R121-I123 VanDerWaalsContact C-N 3.35Å; R121-Q124 PolarHBondContact O-N 3.41Å; R121-K125 WeakPolarHBondContact O-CG 3.28Å; R121-K125 PolarHBondContact O-N 3.04Å
122S92.8Very high91Very high49 Ų4961.8 Ų61.834%0.34328%0.28SS..Hα-helixtrans-63.5-41.4177.5-167.20000111.9C82 R118 A119 R120 L126C82-S122 PolarHBondContact SG-OG 2.93Å; R118-S122 PolarHBondContact O-N 3.34Å; A119-S122 WeakPolarHBondContact O-CB 3.25Å; A119-S122 PolarHBondContact O-N 3.11Å; R120-S122 VanDerWaalsContact C-N 3.28Å; R120-S122 PolarHBondContact O-N 3.12Å; S122-L126 WeakPolarHBondContact O-CB 3.47Å; S122-L126 PolarHBondContact O-N 3.28Å; S122-L126 VanDerWaalsContact O-N 3.11Å
123I94.8Very high92Very high1 Ų165.4 Ų65.41%0.00529%0.294CS..Hα-helixtrans-67.8-46.4176.5-63.6162.8000110.2L51 V79 L83 A119 R120 R121 K125 L126 L127 L144L51-I123 HydrophobicContact CD1-CD1 4.12Å; L51-I123 HydrophobicContact CD2-CD1 4.06Å; V79-I123 HydrophobicContact CG1-CG2 4.21Å; L83-I123 HydrophobicContact CD2-CD1 3.41Å; L83-I123 VanDerWaalsContact CD2-CD1 3.41Å; L83-I123 HydrophobicContact CD2-CG1 4.46Å; L83-I123 HydrophobicContact CG-CD1 3.93Å; A119-I123 WeakPolarHBondContact O-CG1 3.3Å; A119-I123 PolarHBondContact O-N 2.86Å; R120-I123 PolarHBondContact O-N 3.35Å; R121-I123 VanDerWaalsContact C-N 3.35Å; I123-K125 VanDerWaalsContact C-N 3.32Å; I123-K125 PolarHBondContact O-N 2.95Å; I123-L126 WeakPolarHBondContact O-CB 3.21Å; I123-L126 PolarHBondContact O-N 2.92Å; I123-L127 HydrophobicContact CG2-CD1 4.13Å; I123-L127 HydrophobicContact CG2-CG 4.19Å; I123-L127 WeakPolarHBondContact O-CG 3.41Å; I123-L127 PolarHBondContact O-N 2.9Å; I123-L144 HydrophobicContact CB-CD2 4.36Å; I123-L144 HydrophobicContact CG2-CD1 4.37Å; I123-L144 HydrophobicContact CG2-CD2 4.18Å
124Q96.3Very high92.8Very high96 Ų9664.3 Ų64.345%0.44929%0.288SS..Hα-helixtrans-55.8-46.9178.1-74.7173.9-38.700111.8R120 R121 L126 L127 E128 L144R120-Q124 WeakPolarHBondContact O-CG 3.41Å; R120-Q124 PolarHBondContact O-N 3.3Å; R121-Q124 PolarHBondContact O-N 3.41Å; Q124-L126 VanDerWaalsContact C-N 3.32Å; Q124-L126 PolarHBondContact O-N 3.37Å; Q124-L127 PolarHBondContact O-N 3.35Å; Q124-E128 WeakPolarHBondContact O-CB 3.49Å; Q124-E128 PolarHBondContact O-N 3.06Å; Q124-L144 HydrophobicContact CG-CB 4.16Å; Q124-L144 HydrophobicContact CG-CD2 4.33Å
125K97Very high93.6Very high151 Ų15162 Ų6266%0.65727%0.273SS*.Hα-helixtrans-61.5-38.6175.3-73.5-176.4176.5-165.80113R121 I123 W129R121-K125 WeakPolarHBondContact O-CG 3.28Å; R121-K125 PolarHBondContact O-N 3.04Å; I123-K125 VanDerWaalsContact C-N 3.32Å; I123-K125 PolarHBondContact O-N 2.95Å; K125-W129 WeakPolarHBondContact O-CB 3.37Å; K125-W129 PolarHBondContact O-N 2.99Å
126L97.1Very high94.4Very high35 Ų3563.9 Ų63.918%0.18328%0.28CS..Hα-helixtrans-66.5-43.1177177.464.3000111.5R78 V79 C82 S122 I123 Q124 E128 W129 E130R78-L126 HydrophobicContact CB-CD1 4.46Å; R78-L126 HydrophobicContact CB-CD2 4.14Å; V79-L126 HydrophobicContact CB-CD2 4.36Å; V79-L126 HydrophobicContact CG2-CD2 3.84Å; V79-L126 HydrophobicContact CG2-CG 4.49Å; C82-L126 HydrophobicContact CB-CD2 4.27Å; S122-L126 WeakPolarHBondContact O-CB 3.47Å; S122-L126 PolarHBondContact O-N 3.28Å; S122-L126 VanDerWaalsContact O-N 3.11Å; I123-L126 WeakPolarHBondContact O-CB 3.21Å; I123-L126 PolarHBondContact O-N 2.92Å; Q124-L126 VanDerWaalsContact C-N 3.32Å; Q124-L126 PolarHBondContact O-N 3.37Å; L126-E128 VanDerWaalsContact C-N 3.34Å; L126-W129 HydrophobicContact CD1-CE3 4.4Å; L126-W129 PolarHBondContact O-N 3.35Å; L126-E130 PolarHBondContact O-N 3.41Å
127L97.8Very high94.9Very high3 Ų371.6 Ų71.62%0.01631%0.314CS..Hα-helixtrans-62.9-42.4176.1-66.9-178.3000111.2V79 I123 Q124 W129 E130 N131 W142 L144V79-L127 HydrophobicContact CG2-CD2 3.87Å; I123-L127 HydrophobicContact CG2-CD1 4.13Å; I123-L127 HydrophobicContact CG2-CG 4.19Å; I123-L127 WeakPolarHBondContact O-CG 3.41Å; I123-L127 PolarHBondContact O-N 2.9Å; Q124-L127 PolarHBondContact O-N 3.35Å; L127-W129 VanDerWaalsContact C-N 3.32Å; L127-W129 PolarHBondContact O-N 2.95Å; L127-E130 PolarHBondContact O-N 2.96Å; L127-N131 VanDerWaalsContact O-CB 3.28Å; L127-N131 WeakPolarHBondContact O-CB 3.44Å; L127-N131 PolarHBondContact O-N 2.93Å; L127-N131 PolarHBondContact O-ND2 3.46Å; L127-W142 HydrophobicContact CD2-CB 4.14Å; L127-W142 HydrophobicContact CD2-CE3 3.77Å; L127-L144 HydrophobicContact CD1-CB 3.97Å
128E97.9Very high95.3Very high118 Ų11870.3 Ų70.355%0.55131%0.31SS*.Hα-helixtrans-61.6-40.3175.8-168.6168.2-157.300112Q124 L126 N131 N132Q124-E128 WeakPolarHBondContact O-CB 3.49Å; Q124-E128 PolarHBondContact O-N 3.06Å; L126-E128 VanDerWaalsContact C-N 3.34Å; E128-N131 WeakPolarHBondContact O-CB 3.47Å; E128-N131 PolarHBondContact O-N 2.97Å; E128-N132 VanDerWaalsContact O-CG 3.25Å; E128-N132 PolarHBondContact O-N 3.29Å; E128-N132 PolarHBondContact O-ND2 2.94Å
129W97.8Very high95.6Very high131 Ų13162.6 Ų62.650%0.49629%0.285SS..Hα-helixtrans-64.9-45.3173.3179.987.2000112.8K125 L126 L127 N131 N132 R133K125-W129 WeakPolarHBondContact O-CB 3.37Å; K125-W129 PolarHBondContact O-N 2.99Å; L126-W129 HydrophobicContact CD1-CE3 4.4Å; L126-W129 PolarHBondContact O-N 3.35Å; L127-W129 VanDerWaalsContact C-N 3.32Å; L127-W129 PolarHBondContact O-N 2.95Å; W129-N131 VanDerWaalsContact C-N 3.3Å; W129-N131 PolarHBondContact O-N 3.48Å; W129-N132 PolarHBondContact O-N 2.95Å; W129-R133 VanDerWaalsContact O-CB 3.25Å; W129-R133 WeakPolarHBondContact O-CB 3.4Å; W129-R133 PolarHBondContact O-N 3.2Å
130E98Very high96Very high1 Ų162.5 Ų62.51%0.00529%0.285CS..Hα-helixtrans-62.1-38.9175.4-75.6-70.4173.700111.9S75 R78 L126 L127 R133 L134 Y135S75-E130 VanDerWaalsContact OG-CD 3.24Å; S75-E130 PolarHBondContact OG-OE2 3.01Å; R78-E130 VanDerWaalsContact CD-OE1 3.28Å; R78-E130 WeakPolarHBondContact CD-OE1 3.48Å; R78-E130 IonicContact CZ-OE1 3.68Å; R78-E130 IonicContact NE-OE1 3.9Å; R78-E130 IonicContact NH1-OE1 2.7Å; R78-E130 PolarHBondContact NH1-OE1 3.07Å; R78-E130 IonicContact NH1-OE2 3.74Å; L126-E130 PolarHBondContact O-N 3.41Å; L127-E130 PolarHBondContact O-N 2.96Å; E130-R133 PolarHBondContact O-N 3.4Å; E130-R133 IonicContact OE1-NH2 2.62Å; E130-R133 IonicContact OE2-CZ 3.55Å; E130-R133 IonicContact OE2-NE 3.13Å; E130-R133 PolarHBondContact OE2-NE 3.28Å; E130-R133 VanDerWaalsContact OE2-NE 3.13Å; E130-R133 IonicContact OE2-NH2 3.99Å; E130-R133 PolarHBondContact OE2-NH2 3.37Å; E130-L134 PolarHBondContact O-N 2.91Å; E130-Y135 HydrophobicContact CB-CD2 4.11Å; E130-Y135 HydrophobicContact CB-CE2 4.1Å; E130-Y135 PolarHBondContact O-N 3.02Å
131N98.1Very high96.2Very high3 Ų362.4 Ų62.42%0.01629%0.287CS..Hα-helixtrans-59.4-52.6176.6-81.5-20.7000112.1L127 E128 W129 R133 L134 Y135 H136 W142L127-N131 VanDerWaalsContact O-CB 3.28Å; L127-N131 WeakPolarHBondContact O-CB 3.44Å; L127-N131 PolarHBondContact O-N 2.93Å; L127-N131 PolarHBondContact O-ND2 3.46Å; E128-N131 WeakPolarHBondContact O-CB 3.47Å; E128-N131 PolarHBondContact O-N 2.97Å; W129-N131 VanDerWaalsContact C-N 3.3Å; W129-N131 PolarHBondContact O-N 3.48Å; N131-R133 VanDerWaalsContact C-N 3.31Å; N131-R133 PolarHBondContact O-N 3Å; N131-L134 PolarHBondContact O-N 3.45Å; N131-Y135 PolarHBondContact O-N 3.47Å; N131-H136 WeakPolarHBondContact O-CB 3.39Å; N131-H136 PolarHBondContact O-N 3.37Å; N131-W142 PolarHBondContact ND2-N 3.43Å; N131-W142 PolarHBondContact ND2-O 3.09Å; N131-W142 WeakPolarHBondContact OD1-CB 3.42Å; N131-W142 PolarHBondContact OD1-N 3.01Å
132N98Very high96.5Very high97 Ų9755 Ų5552%0.51926%0.259SS..Hα-helixtrans-67-34179.5-65.5-17.4000111.9E128 W129 H136E128-N132 VanDerWaalsContact O-CG 3.25Å; E128-N132 PolarHBondContact O-N 3.29Å; E128-N132 PolarHBondContact O-ND2 2.94Å; W129-N132 PolarHBondContact O-N 2.95Å; N132-H136 PolarHBondContact OD1-CE1 3.22Å; N132-H136 PolarHBondContact OD1-ND1 3.21Å
133R97.3Very high96.7Very high77 Ų7756 Ų5629%0.29126%0.257SS..Hα-helixtrans-65.3-49.2177.8-177.4179.382101.92.5111.8E71 W129 E130 N131 K137E71-R133 IonicContact OE2-CZ 3.8Å; E71-R133 IonicContact OE2-NH1 3.02Å; E71-R133 PolarHBondContact OE2-NH1 3.07Å; E71-R133 IonicContact OE2-NH2 2.63Å; E71-R133 PolarHBondContact OE2-NH2 3.27Å; W129-R133 VanDerWaalsContact O-CB 3.25Å; W129-R133 WeakPolarHBondContact O-CB 3.4Å; W129-R133 PolarHBondContact O-N 3.2Å; E130-R133 PolarHBondContact O-N 3.4Å; E130-R133 IonicContact OE1-NH2 2.62Å; E130-R133 IonicContact OE2-CZ 3.55Å; E130-R133 IonicContact OE2-NE 3.13Å; E130-R133 PolarHBondContact OE2-NE 3.28Å; E130-R133 VanDerWaalsContact OE2-NE 3.13Å; E130-R133 IonicContact OE2-NH2 3.99Å; E130-R133 PolarHBondContact OE2-NH2 3.37Å; N131-R133 VanDerWaalsContact C-N 3.31Å; N131-R133 PolarHBondContact O-N 3Å; R133-K137 WeakPolarHBondContact O-CE 3.27Å; R133-K137 PolarHBondContact O-NZ 3.16Å
134L96.8Very high96.7Very high34 Ų3456.8 Ų56.818%0.17826%0.261CS..THydrogen-bonded Turntrans-137.1-58.8-165.3178.863.2000113.4V67 E71 E130 N131 H136 K137 L138V67-L134 HydrophobicContact CG2-CD2 4.38Å; E71-L134 HydrophobicContact CB-CD2 3.81Å; E71-L134 HydrophobicContact CG-CD2 4.02Å; E130-L134 PolarHBondContact O-N 2.91Å; N131-L134 PolarHBondContact O-N 3.45Å; L134-H136 PolarHBondContact O-N 3.2Å; L134-K137 WeakPolarHBondContact O-CB 3.5Å; L134-K137 PolarHBondContact O-N 3.15Å; L134-L138 HydrophobicContact CD1-CD1 3.86Å; L134-L138 HydrophobicContact CD1-CG 4.17Å; L134-L138 HydrophobicContact CD2-CD1 4.33Å; L134-L138 HydrophobicContact CG-CD1 3.8Å; L134-L138 HydrophobicContact CG-CG 4.4Å; L134-L138 PolarHBondContact O-N 2.99Å
135Y97.1Very high96.7Very high0 Ų053.7 Ų53.70%025%0.25CS..G310 helixtrans-66.4-34-161.3-68.4-79.9000114V67 S75 E130 N131 K137 L138 G139 L140 W142V67-Y135 HydrophobicContact CB-CE1 4.5Å; V67-Y135 HydrophobicContact CG2-CE1 3.92Å; S75-Y135 WeakPolarHBondContact CB-OH 3.33Å; S75-Y135 WeakPolarHBondContact OG-CE2 3.37Å; S75-Y135 PolarHBondContact OG-OH 3.33Å; E130-Y135 HydrophobicContact CB-CD2 4.11Å; E130-Y135 HydrophobicContact CB-CE2 4.1Å; E130-Y135 PolarHBondContact O-N 3.02Å; N131-Y135 PolarHBondContact O-N 3.47Å; Y135-K137 VanDerWaalsContact C-N 3.26Å; Y135-K137 PolarHBondContact O-N 3.24Å; Y135-L138 HydrophobicContact CD1-CD1 4.47Å; Y135-L138 CarbonylContact O-C 3.54Å; Y135-L138 WeakPolarHBondContact O-CA 3.4Å; Y135-L138 WeakPolarHBondContact O-CB 3.34Å; Y135-L138 PolarHBondContact O-N 3.18Å; Y135-G139 PolarHBondContact O-N 3.31Å; Y135-G139 VanDerWaalsContact O-N 3.17Å; Y135-L140 CarbonylContact C-O 3.6Å; Y135-L140 WeakPolarHBondContact CB-O 3.3Å; Y135-L140 HydrophobicContact CD1-CB 4.05Å; Y135-L140 HydrophobicContact CD1-CD1 3.94Å; Y135-L140 PolarHBondContact O-N 3.37Å; Y135-W142 AromaticContact CD1-CD1 3.69Å; Y135-W142 AromaticContact CD1-NE1 3.18Å; Y135-W142 AromaticContact CD2-CD1 3.84Å; Y135-W142 HydrophobicContact CD2-CG 4.4Å; Y135-W142 AromaticContact CD2-NE1 3.8Å; Y135-W142 AromaticContact CE1-CE2 3.63Å; Y135-W142 AromaticContact CE1-CZ2 3.8Å; Y135-W142 HydrophobicContact CE1-CZ2 3.8Å; Y135-W142 AromaticContact CE1-NE1 3.09Å; Y135-W142 HydrophobicContact CE2-CD2 4.39Å; Y135-W142 AromaticContact CE2-CE2 3.87Å; Y135-W142 HydrophobicContact CE2-CZ2 4.18Å; Y135-W142 AromaticContact CE2-NE1 3.75Å; Y135-W142 AromaticContact CG-CD1 3.6Å; Y135-W142 AromaticContact CG-NE1 3.55Å; Y135-W142 AromaticContact CZ-CE2 3.5Å; Y135-W142 VanDerWaalsContact CZ-CE2 3.5Å; Y135-W142 AromaticContact CZ-CZ2 3.5Å; Y135-W142 VanDerWaalsContact CZ-CZ2 3.5Å; Y135-W142 AromaticContact CZ-NE1 3.41Å; Y135-W142 VanDerWaalsContact OH-CZ2 3.3Å; Y135-W142 WeakPolarHBondContact OH-CZ2 3.35Å
136H96.2Very high96.5Very high73 Ų7351.9 Ų51.934%0.33824%0.242SC..G310 helixtrans-62.1-35.9175-71.6173.2000112.2N131 N132 L134 L138 G139 L140 H141N131-H136 WeakPolarHBondContact O-CB 3.39Å; N131-H136 PolarHBondContact O-N 3.37Å; N132-H136 PolarHBondContact OD1-CE1 3.22Å; N132-H136 PolarHBondContact OD1-ND1 3.21Å; L134-H136 PolarHBondContact O-N 3.2Å; H136-L138 PolarHBondContact O-N 3Å; H136-G139 PolarHBondContact O-N 3.2Å; H136-L140 PolarHBondContact CD2-O 3.14Å; H136-L140 PolarHBondContact N-O 3.01Å; H136-H141 AromaticContact CD2-ND1 3.96Å; H136-H141 AromaticContact NE2-CE1 3.92Å; H136-H141 AromaticContact NE2-ND1 3.15Å; H136-H141 PolarHBondContact NE2-ND1 3.4Å; H136-H141 VanDerWaalsContact NE2-ND1 3.15Å
137K94.3Very high96.3Very high164 Ų16454 Ų5471%0.71325%0.248SC*.G310 helixtrans-65.9-24.7175.2-56.3172.8-177.41640112R133 L134 Y135R133-K137 WeakPolarHBondContact O-CE 3.27Å; R133-K137 PolarHBondContact O-NZ 3.16Å; L134-K137 WeakPolarHBondContact O-CB 3.5Å; L134-K137 PolarHBondContact O-N 3.15Å; Y135-K137 VanDerWaalsContact C-N 3.26Å; Y135-K137 PolarHBondContact O-N 3.24Å
138L94.4Very high96Very high50 Ų5059.5 Ų59.526%0.26227%0.271SS..G310 helixtrans-90.1-1.8176.3-56177.8000112.8V67 L134 Y135 H136 L140V67-L138 HydrophobicContact CB-CD1 3.89Å; V67-L138 HydrophobicContact CG2-CD1 3.72Å; L134-L138 HydrophobicContact CD1-CD1 3.86Å; L134-L138 HydrophobicContact CD1-CG 4.17Å; L134-L138 HydrophobicContact CD2-CD1 4.33Å; L134-L138 HydrophobicContact CG-CD1 3.8Å; L134-L138 HydrophobicContact CG-CG 4.4Å; L134-L138 PolarHBondContact O-N 2.99Å; Y135-L138 HydrophobicContact CD1-CD1 4.47Å; Y135-L138 CarbonylContact O-C 3.54Å; Y135-L138 WeakPolarHBondContact O-CA 3.4Å; Y135-L138 WeakPolarHBondContact O-CB 3.34Å; Y135-L138 PolarHBondContact O-N 3.18Å; H136-L138 PolarHBondContact O-N 3Å; L138-L140 HydrophobicContact CB-CD1 4.2Å; L138-L140 HydrophobicContact CB-CG 4.31Å
139G93.9Very high95.4Very high14 Ų1454.8 Ų54.814%0.14425%0.251CS..THydrogen-bonded Turntrans70.134-172.800000112.9Y135 H136 L164Y135-G139 PolarHBondContact O-N 3.31Å; Y135-G139 VanDerWaalsContact O-N 3.17Å; H136-G139 PolarHBondContact O-N 3.2Å; G139-L164 PolarHBondContact O-N 3.09Å
140L95.8Very high94.6Very high1 Ų156.1 Ų56.11%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-124.2149.1179.4-63174000110.2L63 K66 Y135 H136 L138 I161 E162 F163L63-L140 HydrophobicContact CD2-CD1 4.27Å; L63-L140 HydrophobicContact CD2-CD2 4.22Å; K66-L140 HydrophobicContact CB-CD1 4.36Å; Y135-L140 CarbonylContact C-O 3.6Å; Y135-L140 WeakPolarHBondContact CB-O 3.3Å; Y135-L140 HydrophobicContact CD1-CB 4.05Å; Y135-L140 HydrophobicContact CD1-CD1 3.94Å; Y135-L140 PolarHBondContact O-N 3.37Å; H136-L140 PolarHBondContact CD2-O 3.14Å; H136-L140 PolarHBondContact N-O 3.01Å; L138-L140 HydrophobicContact CB-CD1 4.2Å; L138-L140 HydrophobicContact CB-CG 4.31Å; L140-I161 HydrophobicContact CB-CG2 4.26Å; L140-I161 HydrophobicContact CD2-CG2 4.12Å; L140-E162 CarbonylContact C-O 3.5Å; L140-E162 VanDerWaalsContact CA-O 3.3Å; L140-E162 WeakPolarHBondContact CA-O 3.4Å; L140-F163 HydrophobicContact CD2-CD1 3.52Å; L140-F163 HydrophobicContact CD2-CE1 3.63Å; L140-F163 HydrophobicContact CD2-CG 4.26Å; L140-F163 HydrophobicContact CD2-CZ 4.44Å
141H96.8Very high93.7Very high55 Ų5561.5 Ų61.526%0.25530%0.301SS..EExtended strand (participates in β ladder)trans-136.4115.2177.1-176.7100000111.1H136 I161 E162 L164H136-H141 AromaticContact CD2-ND1 3.96Å; H136-H141 AromaticContact NE2-CE1 3.92Å; H136-H141 AromaticContact NE2-ND1 3.15Å; H136-H141 PolarHBondContact NE2-ND1 3.4Å; H136-H141 VanDerWaalsContact NE2-ND1 3.15Å; H141-I161 WeakPolarHBondContact O-CA 3.46Å; H141-E162 HydrophobicContact CB-CB 4.4Å; H141-E162 PolarHBondContact N-O 2.97Å; H141-E162 PolarHBondContact O-N 3.29Å; H141-L164 HydrophobicContact CB-CD1 4.43Å; H141-L164 HydrophobicContact CB-CD2 3.9Å; H141-L164 HydrophobicContact CB-CG 4.14Å
142W97.8Very high92.8Very high2 Ų263 Ų631%0.00831%0.312CS..EExtended strand (participates in β ladder)trans-87.5130.5175.3-72.547.7000110.9M40 F72 I76 L127 N131 Y135 I159 L160 I161M40-W142 HydrophobicContact SD-CH2 4.18Å; M40-W142 HydrophobicContact SD-CZ3 4.33Å; F72-W142 AromaticContact CD2-CH2 3.73Å; F72-W142 HydrophobicContact CD2-CH2 3.73Å; F72-W142 AromaticContact CD2-CZ2 3.53Å; F72-W142 HydrophobicContact CD2-CZ2 3.53Å; F72-W142 AromaticContact CE2-CH2 3.54Å; F72-W142 HydrophobicContact CE2-CH2 3.54Å; F72-W142 AromaticContact CE2-CZ2 3.61Å; F72-W142 HydrophobicContact CE2-CZ2 3.61Å; F72-W142 HydrophobicContact CZ-CH2 4.33Å; I76-W142 HydrophobicContact CB-CH2 4.5Å; I76-W142 HydrophobicContact CD1-CZ3 4.17Å; L127-W142 HydrophobicContact CD2-CB 4.14Å; L127-W142 HydrophobicContact CD2-CE3 3.77Å; N131-W142 PolarHBondContact ND2-N 3.43Å; N131-W142 PolarHBondContact ND2-O 3.09Å; N131-W142 WeakPolarHBondContact OD1-CB 3.42Å; N131-W142 PolarHBondContact OD1-N 3.01Å; Y135-W142 AromaticContact CD1-CD1 3.69Å; Y135-W142 AromaticContact CD1-NE1 3.18Å; Y135-W142 AromaticContact CD2-CD1 3.84Å; Y135-W142 HydrophobicContact CD2-CG 4.4Å; Y135-W142 AromaticContact CD2-NE1 3.8Å; Y135-W142 AromaticContact CE1-CE2 3.63Å; Y135-W142 AromaticContact CE1-CZ2 3.8Å; Y135-W142 HydrophobicContact CE1-CZ2 3.8Å; Y135-W142 AromaticContact CE1-NE1 3.09Å; Y135-W142 HydrophobicContact CE2-CD2 4.39Å; Y135-W142 AromaticContact CE2-CE2 3.87Å; Y135-W142 HydrophobicContact CE2-CZ2 4.18Å; Y135-W142 AromaticContact CE2-NE1 3.75Å; Y135-W142 AromaticContact CG-CD1 3.6Å; Y135-W142 AromaticContact CG-NE1 3.55Å; Y135-W142 AromaticContact CZ-CE2 3.5Å; Y135-W142 VanDerWaalsContact CZ-CE2 3.5Å; Y135-W142 AromaticContact CZ-CZ2 3.5Å; Y135-W142 VanDerWaalsContact CZ-CZ2 3.5Å; Y135-W142 AromaticContact CZ-NE1 3.41Å; Y135-W142 VanDerWaalsContact OH-CZ2 3.3Å; Y135-W142 WeakPolarHBondContact OH-CZ2 3.35Å; W142-I159 HydrophobicContact CD2-CG2 4.31Å; W142-I159 HydrophobicContact CE3-CG2 3.65Å; W142-I159 HydrophobicContact CZ3-CG2 4.18Å; W142-L160 CarbonylContact C-O 3.46Å; W142-L160 VanDerWaalsContact CA-O 3.28Å; W142-L160 WeakPolarHBondContact CA-O 3.49Å; W142-I161 HydrophobicContact CD2-CD1 4.14Å; W142-I161 HydrophobicContact CD2-CG1 3.92Å; W142-I161 VanDerWaalsContact CE2-CD1 3.48Å; W142-I161 HydrophobicContact CG-CG1 4.06Å; W142-I161 HydrophobicContact CH2-CD1 4.19Å; W142-I161 HydrophobicContact CZ2-CD1 3.53Å; W142-I161 HydrophobicContact CZ2-CG1 4.24Å
143K96.6Very high92Very high70 Ų7065 Ų6530%0.30432%0.322SS..EExtended strand (participates in β ladder)trans-141.8147.8173.368.5-177.1-173.4-164.60112.7I159 L160 E162K143-I159 CarbonylContact O-C 3.54Å; K143-I159 WeakPolarHBondContact O-CA 3.42Å; K143-L160 HydrophobicContact CG-CB 3.93Å; K143-L160 HydrophobicContact CG-CD1 4.48Å; K143-L160 PolarHBondContact N-O 3.07Å; K143-L160 PolarHBondContact O-N 3.27Å; K143-E162 WeakPolarHBondContact CD-OE2 3.43Å; K143-E162 WeakPolarHBondContact CE-OE1 3.38Å; K143-E162 WeakPolarHBondContact CE-OE2 3.34Å; K143-E162 IonicContact NZ-OE1 2.71Å; K143-E162 PolarHBondContact NZ-OE1 3.13Å; K143-E162 IonicContact NZ-OE2 3.57Å; K143-E162 PolarHBondContact NZ-OE2 3.02Å
144L96.7Very high91.5Very high17 Ų1767.8 Ų67.89%0.08934%0.34CS..EExtended strand (participates in β ladder)trans-85.4117.3170.5-171.271.2000108.7F55 R120 I123 Q124 L127 Y157 I159F55-L144 HydrophobicContact CE2-CD1 4.48Å; F55-L144 HydrophobicContact CZ-CD1 4.01Å; R120-L144 HydrophobicContact CB-CD2 4.38Å; R120-L144 HydrophobicContact CG-CD2 4.31Å; I123-L144 HydrophobicContact CB-CD2 4.36Å; I123-L144 HydrophobicContact CG2-CD1 4.37Å; I123-L144 HydrophobicContact CG2-CD2 4.18Å; Q124-L144 HydrophobicContact CG-CB 4.16Å; Q124-L144 HydrophobicContact CG-CD2 4.33Å; L127-L144 HydrophobicContact CD1-CB 3.97Å; L144-Y157 HydrophobicContact CD2-CD1 4.21Å; L144-Y157 HydrophobicContact CG-CD1 4.05Å; L144-I159 HydrophobicContact CD1-CG1 4.22Å
145S95.4Very high91.2Very high32 Ų3270.2 Ų70.222%0.22435%0.352CS..EExtended strand (participates in β ladder)trans-123152.8-178.2-170.40000111.6Y157 V158 L160S145-Y157 CarbonylContact O-C 3.51Å; S145-Y157 VanDerWaalsContact O-CA 3.31Å; S145-Y157 WeakPolarHBondContact O-CA 3.42Å; S145-V158 PolarHBondContact N-O 3.48Å; S145-V158 PolarHBondContact O-N 3.33Å; S145-L160 VanDerWaalsContact CB-CD1 3.42Å
146K93.8Very high91Very high113 Ų11371.8 Ų71.849%0.49136%0.359SS..EExtended strand (participates in β ladder)trans-98.3119.3176.5-164.7-175.2176.7-178.50108.4M155 E156 Y157K146-M155 HydrophobicContact CD-CB 4.39Å; K146-M155 HydrophobicContact CD-CE 4.12Å; K146-M155 HydrophobicContact CG-CB 4.25Å; K146-M155 HydrophobicContact CG-CE 3.8Å; K146-E156 CarbonylContact C-O 3.55Å; K146-E156 WeakPolarHBondContact CA-O 3.43Å; K146-Y157 HydrophobicContact CB-CD1 4.21Å; K146-Y157 HydrophobicContact CB-CE1 3.86Å; K146-Y157 HydrophobicContact CG-CE1 4.16Å
147R92.9Very high90.9Very high80 Ų8069.7 Ų69.730%0.30235%0.348SS..EExtended strand (participates in β ladder)trans-128162.3178.7-69.5-157.4178.6-165.34.1111.2M155 E156 V158R147-M155 CarbonylContact O-C 3.56Å; R147-M155 WeakPolarHBondContact O-CA 3.39Å; R147-E156 PolarHBondContact N-O 3.34Å; R147-E156 PolarHBondContact O-N 2.9Å; R147-E156 VanDerWaalsContact O-O 3.13Å; R147-V158 HydrophobicContact CB-CG2 4.12Å; R147-V158 HydrophobicContact CG-CG2 3.8Å
148K90.5Very high90.9Very high117 Ų11761.9 Ų61.951%0.50931%0.314SS..EExtended strand (participates in β ladder)trans-73.9135171.1-165.3178.1177.9-1750108.5N153 M155K148-N153 WeakPolarHBondContact CE-OD1 3.46Å; K148-N153 PolarHBondContact NZ-OD1 3.38Å; K148-M155 HydrophobicContact CB-SD 4.2Å
149C84.8Confident91.1Very high19 Ų1959.5 Ų59.513%0.12830%0.302CS..  trans-65.1143.4172.6-167.80000109S151 S152 M154 E156C149-S151 PolarHBondContact SG-OG 2.92Å; C149-S151 VanDerWaalsContact SG-OG 3.38Å; C149-S152 CarbonylContact C-O 3.05Å; C149-S152 WeakPolarHBondContact CB-O 3.17Å; C149-S152 WeakPolarHBondContact CB-OG 3.46Å; C149-M154 VanDerWaalsContact CB-O 3.31Å; C149-M154 WeakPolarHBondContact CB-O 3.44Å; C149-M154 PolarHBondContact N-O 3.39Å; C149-E156 HydrophobicContact CB-CG 4.18Å; C149-E156 PolarHBondContact SG-OE2 3.02Å
150E81Confident91.2Very high160 Ų16059 Ų5975%0.74830%0.296SS*.SBendtrans-74.3-36.6178.4-82.6166.9-163.600111.8R41R41-E150 IonicContact CZ-OE1 3.63Å; R41-E150 IonicContact NE-OE1 2.91Å; R41-E150 VanDerWaalsContact NH2-CG 3.33Å; R41-E150 IonicContact NH2-OE1 3.46Å; R41-E150 PolarHBondContact NH2-OE1 3.3Å; R41-E150 IonicContact NH2-OE2 3.91Å
151S80.6Confident91.2Very high114 Ų11459 Ų5980%0.79730%0.296SS*.SBendtrans-89-8.1-176.457.80000114C149C149-S151 PolarHBondContact SG-OG 2.92Å; C149-S151 VanDerWaalsContact SG-OG 3.38Å
152S78.4Confident91.2Very high35 Ų3559 Ų5925%0.24530%0.296CS..SBendtrans-148.9156.7179.771.10000111.9C149 M154C149-S152 CarbonylContact C-O 3.05Å; C149-S152 WeakPolarHBondContact CB-O 3.17Å; C149-S152 WeakPolarHBondContact CB-OG 3.46Å; S152-M154 PolarHBondContact O-N 2.86Å; S152-M154 PolarHBondContact OG-N 3.09Å
153N80.9Confident90.9Very high137 Ų13759.9 Ų59.973%0.73330%0.3SS*.SBendtrans-71.95.6173.5-74.7-46.8000113.7K148K148-N153 WeakPolarHBondContact CE-OD1 3.46Å; K148-N153 PolarHBondContact NZ-OD1 3.38Å
154M86.2Confident90.7Very high137 Ų13759.7 Ų59.768%0.67530%0.302SS*.SBendtrans-78.4151.4179.4-65.5-168.9-98.500111.5C149 S152C149-M154 VanDerWaalsContact CB-O 3.31Å; C149-M154 WeakPolarHBondContact CB-O 3.44Å; C149-M154 PolarHBondContact N-O 3.39Å; S152-M154 PolarHBondContact O-N 2.86Å; S152-M154 PolarHBondContact OG-N 3.09Å
155M90.8Very high89.9Confident84 Ų8462.9 Ų62.941%0.41432%0.324SS..EExtended strand (participates in β ladder)trans-87138.3171-61.7-64.5-65.100110G50 K146 R147 K148G50-M155 VanDerWaalsContact CA-O 3.3Å; G50-M155 WeakPolarHBondContact CA-O 3.44Å; K146-M155 HydrophobicContact CD-CB 4.39Å; K146-M155 HydrophobicContact CD-CE 4.12Å; K146-M155 HydrophobicContact CG-CB 4.25Å; K146-M155 HydrophobicContact CG-CE 3.8Å; R147-M155 CarbonylContact O-C 3.56Å; R147-M155 WeakPolarHBondContact O-CA 3.39Å; K148-M155 HydrophobicContact CB-SD 4.2Å
156E93Very high88.6Confident34 Ų3468.8 Ų68.816%0.15935%0.345CS..EExtended strand (participates in β ladder)trans-127.6155.8176.460.6174.9-147.800111.9R41 G50 K146 R147 C149 V158R41-E156 IonicContact CZ-OE1 3.98Å; R41-E156 IonicContact NE-OE1 3.49Å; R41-E156 IonicContact NH1-OE1 2.93Å; R41-E156 PolarHBondContact NH1-OE1 2.87Å; G50-E156 CarbonylContact O-C 3.58Å; G50-E156 WeakPolarHBondContact O-CA 3.47Å; K146-E156 CarbonylContact C-O 3.55Å; K146-E156 WeakPolarHBondContact CA-O 3.43Å; R147-E156 PolarHBondContact N-O 3.34Å; R147-E156 PolarHBondContact O-N 2.9Å; R147-E156 VanDerWaalsContact O-O 3.13Å; C149-E156 HydrophobicContact CB-CG 4.18Å; C149-E156 PolarHBondContact SG-OE2 3.02Å; E156-V158 HydrophobicContact CG-CG1 4.06Å; E156-V158 WeakPolarHBondContact OE1-CG1 3.27Å
157Y94.3Very high87.1Confident29 Ų2972.5 Ų72.511%0.11436%0.358CS..EExtended strand (participates in β ladder)trans-92.8123.3170.4-76-79.5000109.4G50 L51 F55 R120 L144 S145 K146G50-Y157 PolarHBondContact O-N 3.5Å; L51-Y157 HydrophobicContact CB-CD2 4.13Å; L51-Y157 HydrophobicContact CD1-CG 4.34Å; F55-Y157 WeakPolarHBondContact CE1-O 3.37Å; R120-Y157 PolarHBondContact NH1-OH 3.12Å; L144-Y157 HydrophobicContact CD2-CD1 4.21Å; L144-Y157 HydrophobicContact CG-CD1 4.05Å; S145-Y157 CarbonylContact O-C 3.51Å; S145-Y157 VanDerWaalsContact O-CA 3.31Å; S145-Y157 WeakPolarHBondContact O-CA 3.42Å; K146-Y157 HydrophobicContact CB-CD1 4.21Å; K146-Y157 HydrophobicContact CB-CE1 3.86Å; K146-Y157 HydrophobicContact CG-CE1 4.16Å
158V95.3Very high85.4Confident0 Ų073 Ų730%037%0.371CS..EExtended strand (participates in β ladder)trans-117.9152.7177.5-60.30000109.8I39 R41 S145 R147 E156 L160I39-V158 HydrophobicContact CG2-CB 4.04Å; I39-V158 HydrophobicContact CG2-CG1 4.27Å; I39-V158 HydrophobicContact CG2-CG2 4.1Å; R41-V158 HydrophobicContact CG-CG1 4.01Å; S145-V158 PolarHBondContact N-O 3.48Å; S145-V158 PolarHBondContact O-N 3.33Å; R147-V158 HydrophobicContact CB-CG2 4.12Å; R147-V158 HydrophobicContact CG-CG2 3.8Å; E156-V158 HydrophobicContact CG-CG1 4.06Å; E156-V158 WeakPolarHBondContact OE1-CG1 3.27Å; V158-L160 HydrophobicContact CG2-CD2 3.99Å; V158-L160 HydrophobicContact CG2-CG 4.27Å
159I96.9Very high84Confident0 Ų075.2 Ų75.20%039%0.387CS..EExtended strand (participates in β ladder)trans-90.3127.3167.9-63.5170.9000107.3M40 F55 I76 V79 W142 K143 L144M40-I159 HydrophobicContact CB-CB 4.14Å; M40-I159 PolarHBondContact N-O 2.88Å; M40-I159 PolarHBondContact O-N 3.12Å; M40-I159 HydrophobicContact SD-CG2 4.48Å; F55-I159 HydrophobicContact CB-CD1 4.31Å; F55-I159 HydrophobicContact CD1-CD1 4.1Å; F55-I159 HydrophobicContact CD1-CG1 4.2Å; F55-I159 HydrophobicContact CD2-CD1 3.58Å; F55-I159 HydrophobicContact CD2-CG1 4.24Å; F55-I159 HydrophobicContact CE1-CD1 4.36Å; F55-I159 HydrophobicContact CE1-CG1 4.05Å; F55-I159 HydrophobicContact CE2-CD1 3.84Å; F55-I159 HydrophobicContact CE2-CG1 4.06Å; F55-I159 HydrophobicContact CG-CD1 3.72Å; F55-I159 HydrophobicContact CG-CG1 4.31Å; F55-I159 HydrophobicContact CZ-CD1 4.23Å; F55-I159 HydrophobicContact CZ-CG1 3.98Å; I76-I159 HydrophobicContact CD1-CD1 3.85Å; V79-I159 HydrophobicContact CG1-CD1 4.04Å; W142-I159 HydrophobicContact CD2-CG2 4.31Å; W142-I159 HydrophobicContact CE3-CG2 3.65Å; W142-I159 HydrophobicContact CZ3-CG2 4.18Å; K143-I159 CarbonylContact O-C 3.54Å; K143-I159 WeakPolarHBondContact O-CA 3.42Å; L144-I159 HydrophobicContact CD1-CG1 4.22Å
160L96.7Very high82.5Confident3 Ų383.8 Ų83.82%0.01642%0.423CS..EExtended strand (participates in β ladder)trans-105.2136172.8-61.1178.8000108.9V38 I39 W142 K143 S145 V158 E162V38-L160 WeakPolarHBondContact O-CA 3.46Å; I39-L160 HydrophobicContact CB-CD2 4.2Å; I39-L160 HydrophobicContact CG1-CD2 3.74Å; I39-L160 HydrophobicContact CG2-CD2 4.1Å; W142-L160 CarbonylContact C-O 3.46Å; W142-L160 VanDerWaalsContact CA-O 3.28Å; W142-L160 WeakPolarHBondContact CA-O 3.49Å; K143-L160 HydrophobicContact CG-CB 3.93Å; K143-L160 HydrophobicContact CG-CD1 4.48Å; K143-L160 PolarHBondContact N-O 3.07Å; K143-L160 PolarHBondContact O-N 3.27Å; S145-L160 VanDerWaalsContact CB-CD1 3.42Å; V158-L160 HydrophobicContact CG2-CD2 3.99Å; V158-L160 HydrophobicContact CG2-CG 4.27Å; L160-E162 HydrophobicContact CB-CG 4.5Å
161I96.8Very high81.1Confident0 Ų085.3 Ų85.30%042%0.421CS..EExtended strand (participates in β ladder)trans-112.2104.3169.9-52.4173.7000106.7P37 V38 M40 L63 F72 L140 H141 W142P37-I161 CarbonylContact C-O 3.52Å; P37-I161 VanDerWaalsContact CA-O 3.26Å; P37-I161 WeakPolarHBondContact CA-O 3.31Å; P37-I161 WeakPolarHBondContact CB-O 3.49Å; V38-I161 HydrophobicContact CB-CB 4.17Å; V38-I161 PolarHBondContact N-O 3.42Å; V38-I161 PolarHBondContact O-N 3.11Å; M40-I161 HydrophobicContact SD-CD1 3.81Å; L63-I161 HydrophobicContact CD1-CD1 3.71Å; L63-I161 HydrophobicContact CD2-CG2 4.22Å; F72-I161 HydrophobicContact CE2-CD1 4.02Å; L140-I161 HydrophobicContact CB-CG2 4.26Å; L140-I161 HydrophobicContact CD2-CG2 4.12Å; H141-I161 WeakPolarHBondContact O-CA 3.46Å; W142-I161 HydrophobicContact CD2-CD1 4.14Å; W142-I161 HydrophobicContact CD2-CG1 3.92Å; W142-I161 VanDerWaalsContact CE2-CD1 3.48Å; W142-I161 HydrophobicContact CG-CG1 4.06Å; W142-I161 HydrophobicContact CH2-CD1 4.19Å; W142-I161 HydrophobicContact CZ2-CD1 3.53Å; W142-I161 HydrophobicContact CZ2-CG1 4.24Å
162E95.3Very high80Confident57 Ų5785.6 Ų85.627%0.26642%0.421SS..EExtended strand (participates in β ladder)trans-92.1148.2-179.8-48.3-166127.300110.1P37 L140 H141 K143 L160P37-E162 HydrophobicContact CB-CG 4.03Å; L140-E162 CarbonylContact C-O 3.5Å; L140-E162 VanDerWaalsContact CA-O 3.3Å; L140-E162 WeakPolarHBondContact CA-O 3.4Å; H141-E162 HydrophobicContact CB-CB 4.4Å; H141-E162 PolarHBondContact N-O 2.97Å; H141-E162 PolarHBondContact O-N 3.29Å; K143-E162 WeakPolarHBondContact CD-OE2 3.43Å; K143-E162 WeakPolarHBondContact CE-OE1 3.38Å; K143-E162 WeakPolarHBondContact CE-OE2 3.34Å; K143-E162 IonicContact NZ-OE1 2.71Å; K143-E162 PolarHBondContact NZ-OE1 3.13Å; K143-E162 IonicContact NZ-OE2 3.57Å; K143-E162 PolarHBondContact NZ-OE2 3.02Å; L160-E162 HydrophobicContact CB-CG 4.5Å
163F93.2Very high78.7Confident19 Ų1995.5 Ų95.58%0.08347%0.471CS..EExtended strand (participates in β ladder)trans-90126.7173.2-62.5-92.8000108.3C34 P35 E36 V38 V62 L63 L140C34-F163 PolarHBondContact SG-O 2.88Å; P35-F163 HydrophobicContact CB-CD2 3.97Å; P35-F163 HydrophobicContact CB-CE2 4.22Å; P35-F163 HydrophobicContact CB-CG 4.39Å; P35-F163 HydrophobicContact CG-CB 3.74Å; P35-F163 HydrophobicContact CG-CD1 4.05Å; P35-F163 HydrophobicContact CG-CD2 3.61Å; P35-F163 HydrophobicContact CG-CE2 4.18Å; P35-F163 HydrophobicContact CG-CG 3.53Å; E36-F163 WeakPolarHBondContact O-CE2 3.35Å; V38-F163 HydrophobicContact CG2-CE2 4.24Å; V38-F163 HydrophobicContact CG2-CZ 4.27Å; V62-F163 HydrophobicContact CG1-CZ 4.02Å; L63-F163 HydrophobicContact CD2-CE1 4.41Å; L63-F163 HydrophobicContact CD2-CZ 4.2Å; L140-F163 HydrophobicContact CD2-CD1 3.52Å; L140-F163 HydrophobicContact CD2-CE1 3.63Å; L140-F163 HydrophobicContact CD2-CG 4.26Å; L140-F163 HydrophobicContact CD2-CZ 4.44Å
164L90.6Very high78.6Confident66 Ų6693.4 Ų93.435%0.34646%0.458SS..PPolyproline II helixtrans-81.2133.1175.7-63.7175.7000108.6G139 H141 K166G139-L164 PolarHBondContact O-N 3.09Å; H141-L164 HydrophobicContact CB-CD1 4.43Å; H141-L164 HydrophobicContact CB-CD2 3.9Å; H141-L164 HydrophobicContact CB-CG 4.14Å; L164-K166 PolarHBondContact O-N 3.38Å
165P80.9Confident78.2Confident85 Ų8591.1 Ų91.155%0.55245%0.446SS*.PPolyproline II helixtrans-60.9132.6178.725.1-32.6000109.5
166K68.1Low77.5Confident155 Ų15591.5 Ų91.567%0.67445%0.448SS*.PPolyproline II helixtrans-94.5123169.1-67.3-171.5178.6-171.60107.5L164L164-K166 PolarHBondContact O-N 3.38Å
167Y61.8Low76.6Confident192 Ų19294.9 Ų94.975%0.75347%0.465SS*.PPolyproline II helixtrans-58.4126.1169.1-65.5-81.1000108.4I169Y167-I169 PolarHBondContact O-N 2.93Å
168P58.5Low75.5Confident91 Ų9199 Ų9959%0.59149%0.487SS*.PPolyproline II helixtrans-64.2121173.725.3-30000108.2L30 F170L30-P168 HydrophobicContact CD2-CG 4.44Å; P168-F170 PolarHBondContact O-N 3.35Å
169I59.3Low74.2Confident163 Ų163105.6 Ų105.684%0.83652%0.519SS*.  trans-77.6-3.5-178.3-51171.9000110.9Y167 R171Y167-I169 PolarHBondContact O-N 2.93Å; I169-R171 VanDerWaalsContact C-N 3.3Å; I169-R171 PolarHBondContact O-N 3.27Å; I169-R171 VanDerWaalsContact O-N 3.11Å
170F54.8Low72.5Confident199 Ų199113.1 Ų113.187%0.87356%0.556SS**  trans-87.755-178.5-67.9-78000113P168P168-F170 PolarHBondContact O-N 3.35Å
171R50.2Low70.7Confident191 Ų191121.6 Ų121.672%0.72160%0.598SS**  trans-97.1108.4153.7-88.5-172.7177.4167.2-1.2107.1I169I169-R171 VanDerWaalsContact C-N 3.3Å; I169-R171 PolarHBondContact O-N 3.27Å; I169-R171 VanDerWaalsContact O-N 3.11Å
172P58.3Low68.5Low121 Ų121131.8 Ų131.879%0.78665%0.648SS**  trans-64.4134.3161.126.9-28000108.1
173D51.3Low66.1Low242 Ų242138.5 Ų138.5100%1.29468%0.683SS**  trans-61.30170.9-66.7-35000111.7

Retrieved 173 of 173 residues in 216.2 ms (Link to these results)