A0A077ZBY1_TRITR Loading...

RNA binding protein fusilli

AlphaFold DB , UniProt , Accession A0A077ZBY1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 799 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
1M40Very low37.5Very low224 Ų224149.2 Ų149.2100%1.10380%0.803SS**  066.80-64.9-176.6-177.200110.4
2D37.7Very low37Very low125 Ų125147 Ų14767%0.66880%0.798SS**  cis-151.5116.8-14.3-80.6-42.1000106.9
3M37.4Very low36.7Very low158 Ų158144.9 Ų144.978%0.77879%0.793SS**  82.5137.192.5-79.5-155.6-64.500114.4
4L40.5Very low36.4Very low156 Ų156144.9 Ų144.982%0.81779%0.792SS**  trans79.697.2168.7-58.7167.3000117.5
5N37.5Very low36.1Very low171 Ų171141.3 Ų141.391%0.91480%0.801SS**  trans-150.480.7140.4-138.30.6000109.5
6D38Very low36.3Very low134 Ų134140 Ų14072%0.71780%0.796SS**  trans-128.9116.8-180-95.6-49.4000110.1
7N38.4Very low36.5Very low154 Ų154142.9 Ų142.982%0.82480%0.798SS**  trans162.5102.3144.6-87.6-52.2000108
8V40Very low36.7Very low107 Ų107143.9 Ų143.965%0.64880%0.795SS**  81.8100.166.31750000112.8
9N34Very low37.3Very low148 Ų148139.3 Ų139.379%0.79177%0.772SS**  trans39.8122.4141.4-52.4-19.7000120.2
10N36Very low38Very low166 Ų166140.3 Ų140.389%0.88877%0.768SS**  -145163.7109.6-137.7-12.7000111.8
11S32.6Very low38.9Very low98 Ų98136.2 Ų136.269%0.68574%0.743SS**  trans-116.7-175.3-171.958.30000112.7
12V32.4Very low40.2Very low123 Ų123129.9 Ų129.975%0.74572%0.717SS**  trans115.997.8159.3-179.60000116.7
13V33Very low41.9Very low120 Ų120124.6 Ų124.673%0.72769%0.688SS**  trans81.5151.2136.5170.10000121.2
14D32.4Very low44Very low145 Ų145121 Ų12178%0.77567%0.666SS**  trans68.8123.9173.1-69.1-26.2000120.9V16D14-V16 VanDerWaalsContact C-N 3.3Å; D14-V16 PolarHBondContact O-N 2.92Å
15G32.2Very low46.3Very low90 Ų90115.3 Ų115.393%0.92863%0.634SS**  trans-85.153-17200000114.5
16V38Very low48.9Very low121 Ų121107.4 Ų107.473%0.73359%0.592SS**  trans-87126.3166.7-177.10000108.2D14 E18D14-V16 VanDerWaalsContact C-N 3.3Å; D14-V16 PolarHBondContact O-N 2.92Å; V16-E18 PolarHBondContact O-N 3.35Å
17K40.6Very low51.5Low189 Ų189101.1 Ų101.182%0.82256%0.558SS**  trans-68.4114.5165.5-79.6-173.3173.3-173.30108V19K17-V19 PolarHBondContact O-N 2.76Å
18E39.6Very low54.1Low161 Ų16193.8 Ų93.875%0.75252%0.519SS*.  trans-58.5120.8168.7-70.3-174123.500109.9V16 K20V16-E18 PolarHBondContact O-N 3.35Å; E18-K20 PolarHBondContact O-N 2.8Å; E18-K20 VanDerWaalsContact O-N 3.12Å
19V49.3Very low56.8Low57 Ų5788.8 Ų88.835%0.34549%0.488SS..  trans-7499.9167.9179.60000106.8K17 Q21K17-V19 PolarHBondContact O-N 2.76Å; V19-Q21 VanDerWaalsContact C-N 3.27Å; V19-Q21 PolarHBondContact O-N 3.03Å
20K50.7Low59.7Low158 Ų15883.8 Ų83.869%0.68746%0.46SS*.  trans-73.778.9179.8-77.8-166.7171-1710111.3E18 T22E18-K20 PolarHBondContact O-N 2.8Å; E18-K20 VanDerWaalsContact O-N 3.12Å; K20-T22 PolarHBondContact O-N 3.39Å
21Q57.1Low62.4Low56 Ų5676.2 Ų76.226%0.26242%0.42SS..  trans-66.6105.7173.2-175.7149.469.600110.6V19 F23 L59V19-Q21 VanDerWaalsContact C-N 3.27Å; V19-Q21 PolarHBondContact O-N 3.03Å; Q21-F23 VanDerWaalsContact C-N 3.33Å; Q21-F23 PolarHBondContact O-N 3.18Å; Q21-L59 VanDerWaalsContact OE1-CD2 3.25Å
22T66.1Low65.3Low90 Ų9072.4 Ų72.455%0.55239%0.392SS*.  trans-65.8-29.1-172.4-51.70000114.3K20K20-T22 PolarHBondContact O-N 3.39Å
23F74.6Confident68.2Low15 Ų1566.5 Ų66.57%0.06636%0.357CS..  trans-119.8137.7-173.2-60.3-80.1000111Q21 L123 P221Q21-F23 VanDerWaalsContact C-N 3.33Å; Q21-F23 PolarHBondContact O-N 3.18Å; F23-L123 HydrophobicContact CB-CB 3.98Å; F23-L123 HydrophobicContact CD1-CB 3.99Å; F23-L123 HydrophobicContact CD2-CB 3.82Å; F23-L123 HydrophobicContact CD2-CD2 3.57Å; F23-L123 HydrophobicContact CD2-CG 4.29Å; F23-L123 HydrophobicContact CE1-CB 4.45Å; F23-L123 HydrophobicContact CE2-CB 4.31Å; F23-L123 HydrophobicContact CE2-CD2 3.77Å; F23-L123 HydrophobicContact CE2-CG 4.48Å; F23-L123 HydrophobicContact CG-CB 3.65Å; F23-L123 HydrophobicContact CG-CD2 4.28Å; F23-P221 HydrophobicContact CE2-CG 4.2Å; F23-P221 HydrophobicContact CZ-CG 4.12Å
24R81Confident71Confident83 Ų8362.3 Ų62.331%0.31333%0.328SS..SBendtrans-73.7-34.3-174.7177.959.9-164.4101-2.4112.4D57 P58 D121R24-D57 IonicContact CZ-OD1 2.63Å; R24-D57 IonicContact CZ-OD2 2.7Å; R24-D57 VanDerWaalsContact NH1-CG 3.29Å; R24-D57 IonicContact NH1-OD1 3.79Å; R24-D57 PolarHBondContact NH1-OD1 3.18Å; R24-D57 IonicContact NH1-OD2 2.64Å; R24-D57 PolarHBondContact NH1-OD2 2.83Å; R24-D57 IonicContact NH2-OD1 3.56Å; R24-D57 IonicContact NH2-OD2 2.76Å; R24-D57 PolarHBondContact NH2-OD2 3.46Å; R24-P58 WeakPolarHBondContact O-CD 3.32Å; R24-D121 PolarHBondContact N-O 3.31Å
25Y88.6Confident73.7Confident36 Ų3655.9 Ų55.914%0.14130%0.296CS..EExtended strand (participates in β ladder)trans-137146.3-178.7-60.5-62000110.9V56 D57 I64 T115 L122 L123Y25-V56 WeakPolarHBondContact CA-O 3.39Å; Y25-D57 HydrophobicContact CD1-CB 4.29Å; Y25-D57 HydrophobicContact CE1-CB 4.19Å; Y25-I64 HydrophobicContact CD1-CD1 3.57Å; Y25-I64 HydrophobicContact CE1-CD1 3.39Å; Y25-T115 HydrophobicContact CD2-CG2 3.79Å; Y25-T115 HydrophobicContact CE2-CG2 4.18Å; Y25-T115 HydrophobicContact CG-CG2 4.47Å; Y25-L122 HydrophobicContact CD2-CD2 3.93Å; Y25-L122 HydrophobicContact CG-CD2 4.43Å; Y25-L123 PolarHBondContact O-N 3.47Å; Y25-L123 VanDerWaalsContact O-N 3.16Å
26L91.4Very high76.4Confident4 Ų455.7 Ų55.72%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-102.2146.8171.2-56.1177.5000109.2V56 P58 L123 V125 V203 A207 F218L26-V56 HydrophobicContact CB-CB 4.22Å; L26-V56 PolarHBondContact N-O 3.11Å; L26-V56 PolarHBondContact O-N 3.25Å; L26-P58 HydrophobicContact CD1-CB 4.09Å; L26-P58 HydrophobicContact CG-CB 4.32Å; L26-P58 HydrophobicContact CG-CG 4.33Å; L26-L123 CarbonylContact C-O 3.57Å; L26-L123 WeakPolarHBondContact CA-O 3.33Å; L26-L123 HydrophobicContact CD2-CB 4.08Å; L26-L123 HydrophobicContact CD2-CD2 4.17Å; L26-L123 HydrophobicContact CD2-CG 4.34Å; L26-V125 HydrophobicContact CB-CG2 4.32Å; L26-V203 HydrophobicContact CB-CG1 3.97Å; L26-V203 HydrophobicContact CD1-CG1 3.86Å; L26-A207 HydrophobicContact CD1-CB 4Å; L26-F218 HydrophobicContact CD1-CD2 3.51Å; L26-F218 HydrophobicContact CD1-CE2 3.49Å; L26-F218 VanDerWaalsContact CD1-CE2 3.49Å; L26-F218 HydrophobicContact CD1-CG 4.11Å; L26-F218 HydrophobicContact CD1-CZ 4.05Å; L26-F218 HydrophobicContact CD2-CB 4.18Å; L26-F218 HydrophobicContact CD2-CD2 4.32Å; L26-F218 HydrophobicContact CD2-CG 4.19Å
27L93.4Very high78.8Confident3 Ų355.4 Ų55.42%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-125.993.3-173.8-166.566.6000110.6M29 F53 V55 L111 L123 L124 V125 L150L27-M29 PolarHBondContact O-N 2.92Å; L27-F53 HydrophobicContact CD1-CB 3.81Å; L27-F53 HydrophobicContact CD1-CG 4.47Å; L27-F53 HydrophobicContact CD2-CB 4.5Å; L27-F53 HydrophobicContact CD2-CD1 3.8Å; L27-F53 HydrophobicContact CD2-CE1 4.29Å; L27-F53 HydrophobicContact CD2-CG 4.3Å; L27-F53 HydrophobicContact CG-CB 4.13Å; L27-F53 HydrophobicContact CG-CD1 3.93Å; L27-F53 HydrophobicContact CG-CG 4.36Å; L27-V55 HydrophobicContact CD1-CB 4.4Å; L27-V55 HydrophobicContact CD1-CG2 3.79Å; L27-L111 HydrophobicContact CD1-CD1 4.35Å; L27-L111 HydrophobicContact CD1-CD2 3.67Å; L27-L111 HydrophobicContact CD2-CD1 3.78Å; L27-L123 PolarHBondContact N-O 3.44Å; L27-L124 HydrophobicContact CB-CD1 4.28Å; L27-L124 HydrophobicContact CD2-CD1 3.89Å; L27-L124 HydrophobicContact CG-CD1 4.19Å; L27-V125 PolarHBondContact O-N 2.9Å; L27-L150 HydrophobicContact CD2-CD2 3.9Å
28G94.1Very high80.9Confident0 Ų049.2 Ų49.20%025%0.252CS..EExtended strand (participates in β ladder)trans-69.5113.8178.500000110.8F53 A54 V125G28-F53 CarbonylContact O-C 3.58Å; G28-F53 WeakPolarHBondContact O-CA 3.4Å; G28-A54 PolarHBondContact N-O 3.4Å; G28-A54 PolarHBondContact O-N 3.06Å; G28-V125 WeakPolarHBondContact CA-O 3.36Å
29M95.3Very high83Confident1 Ų148.3 Ų48.31%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-109.1125.9-171.6-178.3-164.1-166.900112.4L27 I31 I51 G52 F53 L124 V125 T126 L132 L136 F151 L199L27-M29 PolarHBondContact O-N 2.92Å; M29-I31 HydrophobicContact CE-CD1 3.44Å; M29-I31 VanDerWaalsContact CE-CD1 3.44Å; M29-I31 HydrophobicContact CE-CG1 4.05Å; M29-I31 HydrophobicContact SD-CD1 4.49Å; M29-I51 HydrophobicContact CE-CD1 3.65Å; M29-I51 HydrophobicContact CE-CG1 4.27Å; M29-G52 WeakPolarHBondContact CA-O 3.37Å; M29-F53 HydrophobicContact CB-CD1 4.07Å; M29-F53 HydrophobicContact CB-CE1 4.22Å; M29-F53 HydrophobicContact CE-CE1 4.07Å; M29-F53 HydrophobicContact CE-CZ 4.38Å; M29-F53 HydrophobicContact CG-CD1 3.94Å; M29-F53 HydrophobicContact CG-CE1 3.68Å; M29-F53 HydrophobicContact SD-CE1 4.22Å; M29-L124 HydrophobicContact CB-CD1 3.73Å; M29-L124 HydrophobicContact CB-CG 4.32Å; M29-L124 HydrophobicContact CG-CD1 4.19Å; M29-L124 HydrophobicContact SD-CD1 3.93Å; M29-L124 HydrophobicContact SD-CD2 3.88Å; M29-L124 HydrophobicContact SD-CG 4.06Å; M29-V125 PolarHBondContact N-O 3.08Å; M29-T126 HydrophobicContact CB-CG2 4.05Å; M29-T126 HydrophobicContact CG-CG2 4.45Å; M29-T126 HydrophobicContact SD-CG2 3.96Å; M29-L132 HydrophobicContact CE-CD2 4.07Å; M29-L132 HydrophobicContact SD-CD2 3.87Å; M29-L132 HydrophobicContact SD-CG 4.12Å; M29-L136 HydrophobicContact CE-CD2 4.02Å; M29-F151 HydrophobicContact CE-CD1 4.36Å; M29-F151 HydrophobicContact CE-CE1 4.11Å; M29-L199 VanDerWaalsContact C-CD2 3.47Å; M29-L199 VanDerWaalsContact O-CD2 3.23Å; M29-L199 WeakPolarHBondContact O-CD2 3.38Å
30H94.5Very high84.9Confident44 Ų4448.5 Ų48.520%0.20425%0.247CC..EExtended strand (participates in β ladder)trans-117.7136.6175.6-170.558.3000111Y50 I51 G52 T196 L199H30-Y50 AromaticContact CD2-CE1 3.93Å; H30-I51 WeakPolarHBondContact O-CA 3.26Å; H30-G52 PolarHBondContact N-O 3.4Å; H30-G52 PolarHBondContact O-N 3.01Å; H30-T196 HydrophobicContact CB-CG2 4.46Å; H30-T196 WeakPolarHBondContact CB-OG1 3.47Å; H30-L199 HydrophobicContact CB-CD2 4.32Å
31I94.4Very high86.9Confident6 Ų641.6 Ų41.63%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-130.2140.7176-80.3171.8000108.9M29 L41 I48 Y50 I51 P131 A135 L136M29-I31 HydrophobicContact CE-CD1 3.44Å; M29-I31 VanDerWaalsContact CE-CD1 3.44Å; M29-I31 HydrophobicContact CE-CG1 4.05Å; M29-I31 HydrophobicContact SD-CD1 4.49Å; I31-L41 HydrophobicContact CG2-CD2 4.19Å; I31-I48 HydrophobicContact CD1-CD1 3.97Å; I31-I48 HydrophobicContact CG1-CD1 4.5Å; I31-I48 HydrophobicContact CG2-CD1 4.14Å; I31-I48 HydrophobicContact CG2-CG1 3.84Å; I31-I48 HydrophobicContact CG2-CG2 4.29Å; I31-Y50 WeakPolarHBondContact CA-O 3.46Å; I31-I51 HydrophobicContact CD1-CD1 4.43Å; I31-I51 HydrophobicContact CG1-CB 4.35Å; I31-I51 HydrophobicContact CG1-CD1 4.34Å; I31-I51 HydrophobicContact CG1-CG1 4.07Å; I31-P131 HydrophobicContact CB-CB 4.28Å; I31-P131 HydrophobicContact CD1-CB 4.2Å; I31-P131 VanDerWaalsContact CD1-O 3.31Å; I31-P131 WeakPolarHBondContact CD1-O 3.25Å; I31-A135 HydrophobicContact CG2-CB 4.03Å; I31-L136 HydrophobicContact CD1-CB 4.09Å
32V92.4Very high88.5Confident18 Ų1839.2 Ų39.211%0.10921%0.208CC..EExtended strand (participates in β ladder)trans-127.5131.7167.2-170.70000109I49 Y50 I89V32-I49 HydrophobicContact CB-CG1 4.48Å; V32-I49 HydrophobicContact CG1-CD1 4.4Å; V32-I49 HydrophobicContact CG1-CG1 4.38Å; V32-I49 WeakPolarHBondContact O-CG1 3.44Å; V32-I49 PolarHBondContact O-N 3.27Å; V32-Y50 HydrophobicContact CG2-CD1 4.25Å; V32-Y50 PolarHBondContact N-O 3.13Å; V32-Y50 PolarHBondContact O-N 3.31Å; V32-Y50 VanDerWaalsContact O-N 3.17Å; V32-I89 HydrophobicContact CG1-CD1 4.28Å
33T93.3Very high89.7Confident0 Ų035.9 Ų35.90%019%0.19CC..EExtended strand (participates in β ladder)trans-99166.617065.80000110.7G35 M36 L41 A46 E47 I48 A135T33-G35 PolarHBondContact O-N 3.2Å; T33-G35 VanDerWaalsContact O-N 3.16Å; T33-G35 PolarHBondContact OG1-N 2.87Å; T33-M36 PolarHBondContact OG1-O 2.78Å; T33-L41 HydrophobicContact CG2-CD1 3.89Å; T33-L41 HydrophobicContact CG2-CG 4.46Å; T33-A46 WeakPolarHBondContact CB-O 3.34Å; T33-A46 WeakPolarHBondContact CG2-O 3.37Å; T33-E47 CarbonylContact C-O 3.54Å; T33-E47 VanDerWaalsContact CA-O 3.23Å; T33-E47 WeakPolarHBondContact CA-O 3.48Å; T33-E47 WeakPolarHBondContact CB-O 3.33Å; T33-I48 HydrophobicContact CG2-CG1 4.21Å; T33-A135 HydrophobicContact CG2-CB 4.13Å
34Y91.1Very high90.5Very high32 Ų3238.2 Ų38.213%0.12520%0.203CC..SBendtrans-71-1.8175.163.3-112.9000114.7A46 E47 I49 P73 K78 V79Y34-A46 HydrophobicContact CD2-CB 3.66Å; Y34-A46 HydrophobicContact CE2-CB 3.54Å; Y34-A46 HydrophobicContact CG-CB 4.19Å; Y34-E47 HydrophobicContact CD1-CB 4.21Å; Y34-E47 WeakPolarHBondContact CD1-O 3.35Å; Y34-E47 HydrophobicContact CE1-CB 3.71Å; Y34-E47 HydrophobicContact CE1-CG 4.03Å; Y34-E47 PolarHBondContact N-O 2.81Å; Y34-I49 HydrophobicContact CD1-CG2 4.17Å; Y34-P73 HydrophobicContact CD1-CB 4.29Å; Y34-P73 HydrophobicContact CE1-CB 4.15Å; Y34-K78 HydrophobicContact CE2-CB 4.33Å; Y34-V79 HydrophobicContact CD1-CG2 3.99Å; Y34-V79 HydrophobicContact CE1-CG2 4.43Å; Y34-V79 HydrophobicContact CG-CG2 4.18Å
35G89.7Confident91Very high10 Ų1037.9 Ų37.910%0.10321%0.205CC..SBendtrans-120-129-168.500000114.1T33 D44 R87T33-G35 PolarHBondContact O-N 3.2Å; T33-G35 VanDerWaalsContact O-N 3.16Å; T33-G35 PolarHBondContact OG1-N 2.87Å; G35-D44 WeakPolarHBondContact CA-OD2 3.4Å; G35-R87 PolarHBondContact O-NH1 2.72Å; G35-R87 PolarHBondContact O-NH2 2.75Å
36M89.6Confident91.2Very high85 Ų8536.5 Ų36.542%0.41920%0.201SC..  trans-64.3150.9178.5-66.6-167.384.800112.8T33 N40 L41 A43 D44T33-M36 PolarHBondContact OG1-O 2.78Å; M36-N40 HydrophobicContact CB-CB 4.2Å; M36-N40 VanDerWaalsContact CB-O 3.25Å; M36-N40 WeakPolarHBondContact CB-O 3.33Å; M36-N40 HydrophobicContact CE-CB 3.58Å; M36-N40 HydrophobicContact SD-CB 4.08Å; M36-L41 WeakPolarHBondContact O-CA 3.37Å; M36-A43 HydrophobicContact SD-CB 4.42Å; M36-D44 HydrophobicContact CG-CB 4.1Å; M36-D44 WeakPolarHBondContact CG-OD2 3.36Å; M36-D44 PolarHBondContact N-OD2 2.77Å; M36-D44 HydrophobicContact SD-CB 4.32Å
37E87Confident91.3Very high116 Ų11637.7 Ų37.754%0.54221%0.206SC..  trans-129177.7-176.673.6-149.7119.800112.6N40 R87E37-N40 PolarHBondContact O-N 2.88Å; E37-R87 IonicContact OE1-CZ 2.72Å; E37-R87 IonicContact OE1-NE 2.79Å; E37-R87 PolarHBondContact OE1-NE 3.21Å; E37-R87 IonicContact OE1-NH2 3.52Å; E37-R87 PolarHBondContact OE1-NH2 2.98Å; E37-R87 IonicContact OE2-CZ 3.74Å; E37-R87 IonicContact OE2-NE 3.17Å; E37-R87 PolarHBondContact OE2-NE 2.7Å; E37-R87 IonicContact OE2-NH2 2.68Å; E37-R87 PolarHBondContact OE2-NH2 3.43Å
38G84.9Confident91.3Very high59 Ų5937.6 Ų37.661%0.60821%0.206SC*.G310 helixtrans60.7-135.6-17900000112.5N40 L41G38-N40 PolarHBondContact O-N 3.45Å; G38-L41 VanDerWaalsContact O-CB 3.32Å; G38-L41 WeakPolarHBondContact O-CB 3.44Å; G38-L41 PolarHBondContact O-N 3.06Å; G38-L41 VanDerWaalsContact O-N 3.13Å
39E84.5Confident91.3Very high142 Ų14237.6 Ų37.666%0.66421%0.206SC*.G310 helixtrans-58.9-18178.2-65-171.3-174.200114.6K302E39-K302 PolarHBondContact O-NZ 3.16Å
40N89.4Confident91.2Very high61 Ų6137.5 Ų37.533%0.32621%0.205SC..G310 helixtrans-107.611.8-177.6-62-44.5000112.9M36 E37 G38 G42 A43 K302M36-N40 HydrophobicContact CB-CB 4.2Å; M36-N40 VanDerWaalsContact CB-O 3.25Å; M36-N40 WeakPolarHBondContact CB-O 3.33Å; M36-N40 HydrophobicContact CE-CB 3.58Å; M36-N40 HydrophobicContact SD-CB 4.08Å; E37-N40 PolarHBondContact O-N 2.88Å; G38-N40 PolarHBondContact O-N 3.45Å; N40-G42 PolarHBondContact O-N 2.77Å; N40-A43 HydrophobicContact CB-CB 4.26Å; N40-A43 WeakPolarHBondContact O-CB 3.08Å; N40-A43 PolarHBondContact O-N 3.36Å; N40-K302 WeakPolarHBondContact OD1-CE 3.35Å; N40-K302 PolarHBondContact OD1-NZ 3.09Å
41L91.7Very high91.3Very high13 Ų1335.4 Ų35.47%0.06820%0.196CC..THydrogen-bonded Turntrans-50.8121.5171.4-174.575000110.9I31 T33 M36 G38 A43 A130 P131 Q134 A135I31-L41 HydrophobicContact CG2-CD2 4.19Å; T33-L41 HydrophobicContact CG2-CD1 3.89Å; T33-L41 HydrophobicContact CG2-CG 4.46Å; M36-L41 WeakPolarHBondContact O-CA 3.37Å; G38-L41 VanDerWaalsContact O-CB 3.32Å; G38-L41 WeakPolarHBondContact O-CB 3.44Å; G38-L41 PolarHBondContact O-N 3.06Å; G38-L41 VanDerWaalsContact O-N 3.13Å; L41-A43 VanDerWaalsContact C-N 3.3Å; L41-A43 PolarHBondContact O-N 3.32Å; L41-A130 HydrophobicContact CB-CB 4.16Å; L41-P131 HydrophobicContact CD2-CB 4.3Å; L41-P131 HydrophobicContact CD2-CG 3.99Å; L41-Q134 VanDerWaalsContact O-CB 3.31Å; L41-Q134 WeakPolarHBondContact O-CB 3.48Å; L41-A135 HydrophobicContact CG-CB 4.46Å
42G90.5Very high91.3Very high5 Ų535.1 Ų35.15%0.05219%0.194CC..THydrogen-bonded Turntrans780.7-17900000115.8N40 D44 E45 H306N40-G42 PolarHBondContact O-N 2.77Å; G42-D44 PolarHBondContact O-N 3.23Å; G42-E45 PolarHBondContact O-N 2.93Å; G42-H306 PolarHBondContact O-CE1 3.08Å
43A92.1Very high91.4Very high21 Ų2134.3 Ų34.317%0.17419%0.189CC..THydrogen-bonded Turntrans-69.5-8.6177.500000113.7M36 N40 L41 K302 H306M36-A43 HydrophobicContact SD-CB 4.42Å; N40-A43 HydrophobicContact CB-CB 4.26Å; N40-A43 WeakPolarHBondContact O-CB 3.08Å; N40-A43 PolarHBondContact O-N 3.36Å; L41-A43 VanDerWaalsContact C-N 3.3Å; L41-A43 PolarHBondContact O-N 3.32Å; A43-K302 HydrophobicContact CB-CB 4.13Å; A43-H306 PolarHBondContact O-NE2 3.36Å
44D91.5Very high91.5Very high64 Ų6434.3 Ų34.334%0.34219%0.189SC..THydrogen-bonded Turntrans-117.314.1-175.861.7-19000113.9G35 M36 G42 A46G35-D44 WeakPolarHBondContact CA-OD2 3.4Å; M36-D44 HydrophobicContact CG-CB 4.1Å; M36-D44 WeakPolarHBondContact CG-OD2 3.36Å; M36-D44 PolarHBondContact N-OD2 2.77Å; M36-D44 HydrophobicContact SD-CB 4.32Å; G42-D44 PolarHBondContact O-N 3.23Å; D44-A46 PolarHBondContact O-N 3.05Å; D44-A46 VanDerWaalsContact O-N 3.11Å; D44-A46 WeakPolarHBondContact OD1-CB 3.47Å; D44-A46 PolarHBondContact OD1-N 3.05Å
45E91.3Very high91.6Very high75 Ų7532.8 Ų32.835%0.3518%0.183SC..  trans56.619.6-174.7-56.8-179.6110.700114.1G42 E47 H306 F307G42-E45 PolarHBondContact O-N 2.93Å; E45-E47 PolarHBondContact O-N 2.82Å; E45-H306 VanDerWaalsContact CD-CA 3.45Å; E45-H306 HydrophobicContact CG-CB 4Å; E45-H306 VanDerWaalsContact CG-CG 3.48Å; E45-H306 WeakPolarHBondContact OE1-CA 3.37Å; E45-H306 WeakPolarHBondContact OE1-CB 3.25Å; E45-H306 IonicContact OE1-CG 2.72Å; E45-F307 PolarHBondContact OE1-N 3.22Å
46A92.8Very high91.8Very high7 Ų732.3 Ų32.36%0.05818%0.179CC..PPolyproline II helixtrans-71126.7176.200000111.3T33 Y34 D44T33-A46 WeakPolarHBondContact CB-O 3.34Å; T33-A46 WeakPolarHBondContact CG2-O 3.37Å; Y34-A46 HydrophobicContact CD2-CB 3.66Å; Y34-A46 HydrophobicContact CE2-CB 3.54Å; Y34-A46 HydrophobicContact CG-CB 4.19Å; D44-A46 PolarHBondContact O-N 3.05Å; D44-A46 VanDerWaalsContact O-N 3.11Å; D44-A46 WeakPolarHBondContact OD1-CB 3.47Å; D44-A46 PolarHBondContact OD1-N 3.05Å
47E93.9Very high91.8Very high30 Ų3028.4 Ų28.414%0.1416%0.159CC..PPolyproline II helixtrans-69.1151.5178.9-53.4-174.2-176.600112.1T33 Y34 E45 P73 S74 E139 K143T33-E47 CarbonylContact C-O 3.54Å; T33-E47 VanDerWaalsContact CA-O 3.23Å; T33-E47 WeakPolarHBondContact CA-O 3.48Å; T33-E47 WeakPolarHBondContact CB-O 3.33Å; Y34-E47 HydrophobicContact CD1-CB 4.21Å; Y34-E47 WeakPolarHBondContact CD1-O 3.35Å; Y34-E47 HydrophobicContact CE1-CB 3.71Å; Y34-E47 HydrophobicContact CE1-CG 4.03Å; Y34-E47 PolarHBondContact N-O 2.81Å; E45-E47 PolarHBondContact O-N 2.82Å; E47-P73 HydrophobicContact CB-CB 4.19Å; E47-P73 WeakPolarHBondContact OE2-CA 3.38Å; E47-P73 WeakPolarHBondContact OE2-CB 3.38Å; E47-S74 VanDerWaalsContact CD-OG 3.26Å; E47-S74 VanDerWaalsContact OE1-CB 3.25Å; E47-S74 WeakPolarHBondContact OE1-CB 3.4Å; E47-S74 PolarHBondContact OE1-OG 3.07Å; E47-S74 PolarHBondContact OE2-N 3.19Å; E47-S74 PolarHBondContact OE2-OG 3.2Å; E47-S74 VanDerWaalsContact OE2-OG 3.06Å; E47-E139 WeakPolarHBondContact CA-OE2 3.18Å; E47-K143 IonicContact OE1-NZ 3.23Å; E47-K143 WeakPolarHBondContact OE2-CE 3.47Å; E47-K143 IonicContact OE2-NZ 2.78Å; E47-K143 PolarHBondContact OE2-NZ 2.85Å
48I94.4Very high91.7Very high0 Ų023 Ų230%013%0.134CC..EExtended strand (participates in β ladder)trans-60132.3172.9-63.3172.1000109.2I31 T33 Y50 V71 A135 L136 E139I31-I48 HydrophobicContact CD1-CD1 3.97Å; I31-I48 HydrophobicContact CG1-CD1 4.5Å; I31-I48 HydrophobicContact CG2-CD1 4.14Å; I31-I48 HydrophobicContact CG2-CG1 3.84Å; I31-I48 HydrophobicContact CG2-CG2 4.29Å; T33-I48 HydrophobicContact CG2-CG1 4.21Å; I48-Y50 WeakPolarHBondContact CG2-O 3.17Å; I48-V71 HydrophobicContact CG2-CB 4.21Å; I48-V71 HydrophobicContact CG2-CG2 4.03Å; I48-V71 WeakPolarHBondContact O-CB 3.16Å; I48-V71 WeakPolarHBondContact O-CG1 3.48Å; I48-A135 HydrophobicContact CD1-CB 4.18Å; I48-A135 HydrophobicContact CG1-CB 4.12Å; I48-L136 HydrophobicContact CD1-CB 4.39Å; I48-L136 HydrophobicContact CD1-CD1 4Å; I48-E139 WeakPolarHBondContact CB-OE2 3.36Å; I48-E139 VanDerWaalsContact CG1-OE2 3.29Å; I48-E139 WeakPolarHBondContact CG1-OE2 3.48Å; I48-E139 PolarHBondContact N-OE2 2.97Å
49I92.9Very high91.5Very high0 Ų025.7 Ų25.70%013%0.134CC..EExtended strand (participates in β ladder)trans-116.2-15.3173.756.9171.4000112.9V32 Y34 Y70 V71 L84 I89 F94V32-I49 HydrophobicContact CB-CG1 4.48Å; V32-I49 HydrophobicContact CG1-CD1 4.4Å; V32-I49 HydrophobicContact CG1-CG1 4.38Å; V32-I49 WeakPolarHBondContact O-CG1 3.44Å; V32-I49 PolarHBondContact O-N 3.27Å; Y34-I49 HydrophobicContact CD1-CG2 4.17Å; I49-Y70 CarbonylContact O-C 3.48Å; I49-Y70 VanDerWaalsContact O-CA 3.27Å; I49-Y70 WeakPolarHBondContact O-CA 3.33Å; I49-Y70 WeakPolarHBondContact O-CD1 3.25Å; I49-V71 PolarHBondContact O-N 2.86Å; I49-L84 HydrophobicContact CD1-CD1 3.62Å; I49-L84 HydrophobicContact CD1-CD2 3.6Å; I49-L84 HydrophobicContact CD1-CG 4.25Å; I49-I89 HydrophobicContact CD1-CD1 3.64Å; I49-I89 HydrophobicContact CG1-CD1 4.41Å; I49-F94 HydrophobicContact CB-CE2 4.08Å; I49-F94 HydrophobicContact CG2-CE2 4.28Å
50Y93.5Very high91.5Very high0 Ų024.7 Ų24.70%013%0.129CC..EExtended strand (participates in β ladder)trans-146.9138.1175175.1-87.5000110.2H30 I31 V32 I48 D68 Y70 C192 H193 T196H30-Y50 AromaticContact CD2-CE1 3.93Å; I31-Y50 WeakPolarHBondContact CA-O 3.46Å; V32-Y50 HydrophobicContact CG2-CD1 4.25Å; V32-Y50 PolarHBondContact N-O 3.13Å; V32-Y50 PolarHBondContact O-N 3.31Å; V32-Y50 VanDerWaalsContact O-N 3.17Å; I48-Y50 WeakPolarHBondContact CG2-O 3.17Å; Y50-D68 HydrophobicContact CE2-CB 3.7Å; Y50-D68 WeakPolarHBondContact CE2-OD2 3.33Å; Y50-D68 WeakPolarHBondContact OH-CB 3.48Å; Y50-D68 PolarHBondContact OH-OD2 2.9Å; Y50-Y70 HydrophobicContact CD2-CD1 4.06Å; Y50-Y70 HydrophobicContact CD2-CD2 4.42Å; Y50-Y70 AromaticContact CD2-CE1 3.7Å; Y50-Y70 HydrophobicContact CD2-CE1 3.7Å; Y50-Y70 HydrophobicContact CD2-CE2 4.07Å; Y50-Y70 HydrophobicContact CD2-CG 4.4Å; Y50-Y70 AromaticContact CD2-CZ 3.7Å; Y50-Y70 HydrophobicContact CE2-CE2 4.35Å; Y50-Y70 HydrophobicContact CG-CE1 4.4Å; Y50-C192 HydrophobicContact CD1-CB 3.7Å; Y50-C192 HydrophobicContact CD2-CB 3.57Å; Y50-C192 HydrophobicContact CE1-CB 3.67Å; Y50-C192 HydrophobicContact CE2-CB 3.52Å; Y50-C192 HydrophobicContact CG-CB 3.64Å; Y50-C192 PolarHBondContact OH-O 3.34Å; Y50-H193 WeakPolarHBondContact OH-CA 3.31Å; Y50-H193 PolarHBondContact OH-N 2.93Å; Y50-T196 WeakPolarHBondContact CE1-OG1 3.5Å; Y50-T196 PolarHBondContact OH-OG1 3.46Å
51I95.4Very high91.2Very high0 Ų023 Ų230%013%0.127CC..EExtended strand (participates in β ladder)trans-135.2134.1167.8-177.4169.9000109.1M29 H30 I31 F53 D68 G69 V71 T103 L104 L107M29-I51 HydrophobicContact CE-CD1 3.65Å; M29-I51 HydrophobicContact CE-CG1 4.27Å; H30-I51 WeakPolarHBondContact O-CA 3.26Å; I31-I51 HydrophobicContact CD1-CD1 4.43Å; I31-I51 HydrophobicContact CG1-CB 4.35Å; I31-I51 HydrophobicContact CG1-CD1 4.34Å; I31-I51 HydrophobicContact CG1-CG1 4.07Å; I51-F53 HydrophobicContact CD1-CE2 4.18Å; I51-F53 HydrophobicContact CD1-CZ 3.75Å; I51-F53 HydrophobicContact CG1-CE2 4.21Å; I51-F53 HydrophobicContact CG1-CZ 4.09Å; I51-D68 WeakPolarHBondContact O-CA 3.25Å; I51-G69 PolarHBondContact N-O 3.44Å; I51-G69 VanDerWaalsContact N-O 3.13Å; I51-G69 PolarHBondContact O-N 3.42Å; I51-V71 HydrophobicContact CG2-CG2 3.91Å; I51-T103 HydrophobicContact CG2-CG2 3.72Å; I51-L104 HydrophobicContact CD1-CD2 3.74Å; I51-L107 HydrophobicContact CG2-CD1 3.81Å
52G94.5Very high91.1Very high0 Ų028.3 Ų28.30%015%0.149CC..EExtended strand (participates in β ladder)trans-140.5146.6-178.900000112.2M29 H30 T196M29-G52 WeakPolarHBondContact CA-O 3.37Å; H30-G52 PolarHBondContact N-O 3.4Å; H30-G52 PolarHBondContact O-N 3.01Å; G52-T196 VanDerWaalsContact C-CG2 3.47Å
53F95.8Very high91.2Very high0 Ų030 Ų300%016%0.158CC..EExtended strand (participates in β ladder)trans-128.9129.7178.5-57.9-74.6000110.9L27 G28 M29 I51 I66 Y67 L107 L111 L124 F151L27-F53 HydrophobicContact CD1-CB 3.81Å; L27-F53 HydrophobicContact CD1-CG 4.47Å; L27-F53 HydrophobicContact CD2-CB 4.5Å; L27-F53 HydrophobicContact CD2-CD1 3.8Å; L27-F53 HydrophobicContact CD2-CE1 4.29Å; L27-F53 HydrophobicContact CD2-CG 4.3Å; L27-F53 HydrophobicContact CG-CB 4.13Å; L27-F53 HydrophobicContact CG-CD1 3.93Å; L27-F53 HydrophobicContact CG-CG 4.36Å; G28-F53 CarbonylContact O-C 3.58Å; G28-F53 WeakPolarHBondContact O-CA 3.4Å; M29-F53 HydrophobicContact CB-CD1 4.07Å; M29-F53 HydrophobicContact CB-CE1 4.22Å; M29-F53 HydrophobicContact CE-CE1 4.07Å; M29-F53 HydrophobicContact CE-CZ 4.38Å; M29-F53 HydrophobicContact CG-CD1 3.94Å; M29-F53 HydrophobicContact CG-CE1 3.68Å; M29-F53 HydrophobicContact SD-CE1 4.22Å; I51-F53 HydrophobicContact CD1-CE2 4.18Å; I51-F53 HydrophobicContact CD1-CZ 3.75Å; I51-F53 HydrophobicContact CG1-CE2 4.21Å; I51-F53 HydrophobicContact CG1-CZ 4.09Å; F53-I66 CarbonylContact O-C 3.56Å; F53-I66 WeakPolarHBondContact O-CA 3.38Å; F53-Y67 PolarHBondContact N-O 2.81Å; F53-Y67 PolarHBondContact O-N 2.84Å; F53-L107 HydrophobicContact CD2-CB 4Å; F53-L107 HydrophobicContact CD2-CD1 3.95Å; F53-L107 HydrophobicContact CD2-CG 4.38Å; F53-L107 HydrophobicContact CE2-CB 3.75Å; F53-L107 HydrophobicContact CE2-CD1 3.69Å; F53-L107 HydrophobicContact CE2-CG 4.29Å; F53-L111 HydrophobicContact CB-CD2 4.43Å; F53-L111 HydrophobicContact CD2-CD1 4.08Å; F53-L111 HydrophobicContact CE2-CD1 4.45Å; F53-L111 HydrophobicContact CG-CD1 4.25Å; F53-L124 HydrophobicContact CD1-CD1 4.27Å; F53-L124 HydrophobicContact CE1-CD1 4.02Å; F53-F151 HydrophobicContact CE1-CE1 4.08Å; F53-F151 AromaticContact CZ-CE1 3.8Å; F53-F151 HydrophobicContact CZ-CE1 3.8Å; F53-F151 AromaticContact CZ-CZ 3.96Å; F53-F151 HydrophobicContact CZ-CZ 3.96Å
54A95Very high91.1Very high0 Ų032.9 Ų32.90%017%0.17CC..EExtended strand (participates in β ladder)trans-106.1115.9168.300000110G28 V63 I66 T196G28-A54 PolarHBondContact N-O 3.4Å; G28-A54 PolarHBondContact O-N 3.06Å; A54-V63 HydrophobicContact CB-CG1 4.27Å; A54-I66 HydrophobicContact CB-CG1 4.31Å; A54-T196 HydrophobicContact CB-CG2 4.32Å; A54-T196 WeakPolarHBondContact CB-O 3.49Å
55V94.3Very high91.1Very high1 Ų130.5 Ų30.51%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-80.5126.3177.6-170.40000108.7L27 V63 I64 G65 Y67 L111 T115L27-V55 HydrophobicContact CD1-CB 4.4Å; L27-V55 HydrophobicContact CD1-CG2 3.79Å; V55-V63 CarbonylContact O-C 3.53Å; V55-V63 WeakPolarHBondContact O-CA 3.41Å; V55-I64 HydrophobicContact CB-CB 4.39Å; V55-I64 HydrophobicContact CG1-CB 4.41Å; V55-I64 HydrophobicContact CG1-CD1 3.88Å; V55-I64 HydrophobicContact CG1-CG1 4.35Å; V55-I64 PolarHBondContact O-N 3.09Å; V55-G65 PolarHBondContact N-O 2.85Å; V55-Y67 HydrophobicContact CG2-CD2 3.9Å; V55-Y67 HydrophobicContact CG2-CE2 3.83Å; V55-L111 HydrophobicContact CG2-CD2 3.38Å; V55-T115 HydrophobicContact CG1-CG2 4.07Å
56V92.5Very high91.2Very high0 Ų029.2 Ų29.20%016%0.156CC..EExtended strand (participates in β ladder)trans-120.2130.3-177171.20000110.2Y25 L26 P58 K62 V63 G200 V203 A204Y25-V56 WeakPolarHBondContact CA-O 3.39Å; L26-V56 HydrophobicContact CB-CB 4.22Å; L26-V56 PolarHBondContact N-O 3.11Å; L26-V56 PolarHBondContact O-N 3.25Å; V56-P58 VanDerWaalsContact O-CD 3.25Å; V56-P58 WeakPolarHBondContact O-CD 3.43Å; V56-K62 WeakPolarHBondContact CA-O 3.47Å; V56-V63 HydrophobicContact CG2-CG2 4.2Å; V56-G200 WeakPolarHBondContact CG2-O 3.47Å; V56-V203 HydrophobicContact CG1-CG1 4.48Å; V56-V203 HydrophobicContact CG2-CB 4.48Å; V56-V203 HydrophobicContact CG2-CG1 4.32Å; V56-A204 HydrophobicContact CG1-CB 3.75Å; V56-A204 HydrophobicContact CG2-CB 4.25Å
57D89.5Confident91.3Very high3 Ų331.3 Ų31.32%0.01616%0.163CC..EExtended strand (participates in β ladder)trans-88.3104.4163.9-170.4-22.3000108.9R24 Y25 L59 Q60 G61 K62 I64R24-D57 IonicContact CZ-OD1 2.63Å; R24-D57 IonicContact CZ-OD2 2.7Å; R24-D57 VanDerWaalsContact NH1-CG 3.29Å; R24-D57 IonicContact NH1-OD1 3.79Å; R24-D57 PolarHBondContact NH1-OD1 3.18Å; R24-D57 IonicContact NH1-OD2 2.64Å; R24-D57 PolarHBondContact NH1-OD2 2.83Å; R24-D57 IonicContact NH2-OD1 3.56Å; R24-D57 IonicContact NH2-OD2 2.76Å; R24-D57 PolarHBondContact NH2-OD2 3.46Å; Y25-D57 HydrophobicContact CD1-CB 4.29Å; Y25-D57 HydrophobicContact CE1-CB 4.19Å; D57-L59 VanDerWaalsContact C-N 3.26Å; D57-L59 PolarHBondContact O-N 3.44Å; D57-L59 WeakPolarHBondContact OD1-CB 3.18Å; D57-L59 PolarHBondContact OD1-N 2.6Å; D57-Q60 HydrophobicContact CB-CB 4.1Å; D57-Q60 HydrophobicContact CB-CG 4.31Å; D57-Q60 PolarHBondContact O-N 3.22Å; D57-Q60 PolarHBondContact OD1-N 3.42Å; D57-Q60 PolarHBondContact OD2-NE2 2.89Å; D57-G61 PolarHBondContact O-N 2.83Å; D57-K62 PolarHBondContact N-O 3.27Å; D57-K62 PolarHBondContact O-N 2.85Å; D57-I64 HydrophobicContact CB-CD1 3.85Å; D57-I64 HydrophobicContact CB-CG1 4.03Å
58P85Confident91.3Very high2 Ų231.7 Ų31.71%0.01317%0.166CC..THydrogen-bonded Turntrans-69.3-22.9-17729.9-36.7000113R24 L26 V56 A207R24-P58 WeakPolarHBondContact O-CD 3.32Å; L26-P58 HydrophobicContact CD1-CB 4.09Å; L26-P58 HydrophobicContact CG-CB 4.32Å; L26-P58 HydrophobicContact CG-CG 4.33Å; V56-P58 VanDerWaalsContact O-CD 3.25Å; V56-P58 WeakPolarHBondContact O-CD 3.43Å; P58-A207 HydrophobicContact CB-CB 3.79Å
59L81.7Confident91.2Very high116 Ų11632.3 Ų32.361%0.60717%0.171SC*.THydrogen-bonded Turntrans-74.8-29175.6-62175.8000111.9Q21 D57Q21-L59 VanDerWaalsContact OE1-CD2 3.25Å; D57-L59 VanDerWaalsContact C-N 3.26Å; D57-L59 PolarHBondContact O-N 3.44Å; D57-L59 WeakPolarHBondContact OD1-CB 3.18Å; D57-L59 PolarHBondContact OD1-N 2.6Å
60Q83.7Confident91.1Very high121 Ų12133.7 Ų33.757%0.56518%0.177SC*.THydrogen-bonded Turntrans-94.1-16.8176.4-63.7-172.256.500113.6D57 K62D57-Q60 HydrophobicContact CB-CB 4.1Å; D57-Q60 HydrophobicContact CB-CG 4.31Å; D57-Q60 PolarHBondContact O-N 3.22Å; D57-Q60 PolarHBondContact OD1-N 3.42Å; D57-Q60 PolarHBondContact OD2-NE2 2.89Å; Q60-K62 HydrophobicContact CB-CB 4.35Å; Q60-K62 HydrophobicContact CB-CD 4.32Å; Q60-K62 HydrophobicContact CB-CG 4.38Å
61G84.3Confident91.1Very high26 Ų2633.7 Ų33.727%0.26818%0.177SC..THydrogen-bonded Turntrans64.739.3-172.900000112.8D57D57-G61 PolarHBondContact O-N 2.83Å
62K89.1Confident90.8Very high124 Ų12437.1 Ų37.154%0.53919%0.193SC..EExtended strand (participates in β ladder)trans-139145-172.2-70.4177.2-173.7173.40113.5V56 D57 Q60V56-K62 WeakPolarHBondContact CA-O 3.47Å; D57-K62 PolarHBondContact N-O 3.27Å; D57-K62 PolarHBondContact O-N 2.85Å; Q60-K62 HydrophobicContact CB-CB 4.35Å; Q60-K62 HydrophobicContact CB-CD 4.32Å; Q60-K62 HydrophobicContact CB-CG 4.38Å
63V91.4Very high90.5Very high39 Ų3937.3 Ų37.324%0.23619%0.194CC..EExtended strand (participates in β ladder)trans-71.2130.4161.3-173.80000108.9A54 V55 V56 I66A54-V63 HydrophobicContact CB-CG1 4.27Å; V55-V63 CarbonylContact O-C 3.53Å; V55-V63 WeakPolarHBondContact O-CA 3.41Å; V56-V63 HydrophobicContact CG2-CG2 4.2Å; V63-I66 HydrophobicContact CG1-CD1 4.5Å; V63-I66 HydrophobicContact CG1-CG1 3.97Å
64I91.3Very high90.1Very high82 Ų8241.5 Ų41.542%0.42122%0.223SC..EExtended strand (participates in β ladder)trans-91.9-39.5179.2-44.5178.8000110.5Y25 V55 D57Y25-I64 HydrophobicContact CD1-CD1 3.57Å; Y25-I64 HydrophobicContact CE1-CD1 3.39Å; V55-I64 HydrophobicContact CB-CB 4.39Å; V55-I64 HydrophobicContact CG1-CB 4.41Å; V55-I64 HydrophobicContact CG1-CD1 3.88Å; V55-I64 HydrophobicContact CG1-CG1 4.35Å; V55-I64 PolarHBondContact O-N 3.09Å; D57-I64 HydrophobicContact CB-CD1 3.85Å; D57-I64 HydrophobicContact CB-CG1 4.03Å
65G91.5Very high89.6Confident15 Ų1544 Ų4416%0.15524%0.237CC..EExtended strand (participates in β ladder)trans-169.7158.4-177.700000111.4V55V55-G65 PolarHBondContact N-O 2.85Å
66I93.7Very high89Confident48 Ų4848.7 Ų48.725%0.24626%0.259CS..EExtended strand (participates in β ladder)trans-124.3129.5179.3-59.2150.4000107.3F53 A54 V63 H193 T196 A197F53-I66 CarbonylContact O-C 3.56Å; F53-I66 WeakPolarHBondContact O-CA 3.38Å; A54-I66 HydrophobicContact CB-CG1 4.31Å; V63-I66 HydrophobicContact CG1-CD1 4.5Å; V63-I66 HydrophobicContact CG1-CG1 3.97Å; I66-H193 VanDerWaalsContact CG2-CE1 3.48Å; I66-H193 WeakPolarHBondContact CG2-CE1 3.45Å; I66-T196 HydrophobicContact CG2-CG2 3.93Å; I66-A197 HydrophobicContact CD1-CB 3.46Å; I66-A197 VanDerWaalsContact CD1-CB 3.46Å; I66-A197 HydrophobicContact CG1-CB 4.41Å
67Y94.1Very high88.4Confident51 Ų5153.8 Ų53.820%0.229%0.294CS..EExtended strand (participates in β ladder)trans-132.2120.2-174.7-59.9-76.2000110F53 V55 L107 Q110 L111 C114F53-Y67 PolarHBondContact N-O 2.81Å; F53-Y67 PolarHBondContact O-N 2.84Å; V55-Y67 HydrophobicContact CG2-CD2 3.9Å; V55-Y67 HydrophobicContact CG2-CE2 3.83Å; Y67-L107 VanDerWaalsContact C-CD2 3.43Å; Y67-Q110 HydrophobicContact CD1-CB 3.75Å; Y67-Q110 HydrophobicContact CD1-CG 4.44Å; Y67-Q110 HydrophobicContact CE1-CB 4.1Å; Y67-Q110 HydrophobicContact CG-CB 4.26Å; Y67-L111 HydrophobicContact CD2-CD2 3.78Å; Y67-L111 HydrophobicContact CE2-CD2 4.39Å; Y67-C114 HydrophobicContact CE2-CB 3.86Å; Y67-C114 WeakPolarHBondContact OH-CB 3.49Å; Y67-C114 PolarHBondContact OH-SG 3.09Å
68D93.7Very high88.1Confident38 Ų3859.6 Ų59.620%0.20332%0.32CS..EExtended strand (participates in β ladder)trans-141.6171.4-174.962.9-10.7000115Y50 I51 K106 H193Y50-D68 HydrophobicContact CE2-CB 3.7Å; Y50-D68 WeakPolarHBondContact CE2-OD2 3.33Å; Y50-D68 WeakPolarHBondContact OH-CB 3.48Å; Y50-D68 PolarHBondContact OH-OD2 2.9Å; I51-D68 WeakPolarHBondContact O-CA 3.25Å; D68-K106 PolarHBondContact O-NZ 3.03Å; D68-H193 IonicContact OD1-ND1 3.82Å; D68-H193 IonicContact OD2-CE1 3.87Å; D68-H193 IonicContact OD2-CG 3.55Å; D68-H193 IonicContact OD2-ND1 2.93Å; D68-H193 PolarHBondContact OD2-ND1 2.96Å
69G91.8Very high88Confident12 Ų1260 Ų6012%0.12432%0.322CS..EExtended strand (participates in β ladder)trans-168.3141.2176.200000113.4I51I51-G69 PolarHBondContact N-O 3.44Å; I51-G69 VanDerWaalsContact N-O 3.13Å; I51-G69 PolarHBondContact O-N 3.42Å
70Y92.2Very high88.2Confident30 Ų3058.2 Ų58.212%0.11831%0.313CS..EExtended strand (participates in β ladder)trans-78.3137.3171.2-68.9-87.4000110.5I49 Y50 I89 V93 F94 S97 M98I49-Y70 CarbonylContact O-C 3.48Å; I49-Y70 VanDerWaalsContact O-CA 3.27Å; I49-Y70 WeakPolarHBondContact O-CA 3.33Å; I49-Y70 WeakPolarHBondContact O-CD1 3.25Å; Y50-Y70 HydrophobicContact CD2-CD1 4.06Å; Y50-Y70 HydrophobicContact CD2-CD2 4.42Å; Y50-Y70 AromaticContact CD2-CE1 3.7Å; Y50-Y70 HydrophobicContact CD2-CE1 3.7Å; Y50-Y70 HydrophobicContact CD2-CE2 4.07Å; Y50-Y70 HydrophobicContact CD2-CG 4.4Å; Y50-Y70 AromaticContact CD2-CZ 3.7Å; Y50-Y70 HydrophobicContact CE2-CE2 4.35Å; Y50-Y70 HydrophobicContact CG-CE1 4.4Å; Y70-I89 HydrophobicContact CD1-CG2 4.49Å; Y70-I89 HydrophobicContact CE1-CG1 4.47Å; Y70-I89 HydrophobicContact CE1-CG2 4.09Å; Y70-V93 HydrophobicContact CD2-CG1 4.01Å; Y70-V93 HydrophobicContact CE1-CG1 4.25Å; Y70-V93 HydrophobicContact CE2-CG1 3.36Å; Y70-F94 HydrophobicContact CD1-CD2 4.22Å; Y70-S97 WeakPolarHBondContact O-CA 3.44Å; Y70-S97 WeakPolarHBondContact O-CB 3.41Å; Y70-M98 PolarHBondContact O-N 3.21Å
71V92.7Very high88.1Confident0 Ų055.6 Ų55.60%030%0.298CS..EExtended strand (participates in β ladder)trans-106.8127.7-174174.30000109.6I48 I49 I51 P73 F94 M98 L100 T103I48-V71 HydrophobicContact CG2-CB 4.21Å; I48-V71 HydrophobicContact CG2-CG2 4.03Å; I48-V71 WeakPolarHBondContact O-CB 3.16Å; I48-V71 WeakPolarHBondContact O-CG1 3.48Å; I49-V71 PolarHBondContact O-N 2.86Å; I51-V71 HydrophobicContact CG2-CG2 3.91Å; V71-P73 WeakPolarHBondContact O-CD 3.37Å; V71-F94 VanDerWaalsContact O-CE2 3.31Å; V71-F94 WeakPolarHBondContact O-CE2 3.28Å; V71-F94 WeakPolarHBondContact O-CZ 3.31Å; V71-M98 CarbonylContact C-O 3.59Å; V71-M98 WeakPolarHBondContact CA-O 3.39Å; V71-L100 HydrophobicContact CG1-CB 3.78Å; V71-L100 HydrophobicContact CG1-CD1 4.16Å; V71-L100 HydrophobicContact CG2-CD1 4.01Å; V71-T103 HydrophobicContact CG2-CG2 3.91Å
72Q90Very high88Confident71 Ų7160.3 Ų60.333%0.33232%0.317SS..EExtended strand (participates in β ladder)trans-80.1119.6178.3-169.5178.230.200110.5M98Q72-M98 PolarHBondContact N-O 3.34Å
73P88.1Confident87.6Confident5 Ų558.1 Ų58.13%0.03231%0.309CS..  trans-76.4153177.231.7-36000111.5Y34 E47 V71 D75 Q76 V79 F94Y34-P73 HydrophobicContact CD1-CB 4.29Å; Y34-P73 HydrophobicContact CE1-CB 4.15Å; E47-P73 HydrophobicContact CB-CB 4.19Å; E47-P73 WeakPolarHBondContact OE2-CA 3.38Å; E47-P73 WeakPolarHBondContact OE2-CB 3.38Å; V71-P73 WeakPolarHBondContact O-CD 3.37Å; P73-D75 VanDerWaalsContact C-N 3.27Å; P73-D75 PolarHBondContact O-N 3.18Å; P73-Q76 HydrophobicContact CG-CG 4.16Å; P73-V79 HydrophobicContact CG-CG2 3.86Å; P73-F94 VanDerWaalsContact CD-CZ 3.49Å
74S87.1Confident87.2Confident87 Ų8756.2 Ų56.261%0.60830%0.297SS*.SBendtrans-62.7-35.5-178.5-34.80000112.2E47 K143E47-S74 VanDerWaalsContact CD-OG 3.26Å; E47-S74 VanDerWaalsContact OE1-CB 3.25Å; E47-S74 WeakPolarHBondContact OE1-CB 3.4Å; E47-S74 PolarHBondContact OE1-OG 3.07Å; E47-S74 PolarHBondContact OE2-N 3.19Å; E47-S74 PolarHBondContact OE2-OG 3.2Å; E47-S74 VanDerWaalsContact OE2-OG 3.06Å; S74-K143 WeakPolarHBondContact OG-CE 3.37Å
75D84.1Confident86.7Confident54 Ų5454.8 Ų54.829%0.28930%0.298SS..  trans-129.490.4-176.9-179.42.6000110.4P73 S77 K78P73-D75 VanDerWaalsContact C-N 3.27Å; P73-D75 PolarHBondContact O-N 3.18Å; D75-S77 PolarHBondContact O-N 2.78Å; D75-S77 VanDerWaalsContact OD1-CB 3.31Å; D75-S77 WeakPolarHBondContact OD1-CB 3.38Å; D75-S77 PolarHBondContact OD1-N 3.01Å; D75-S77 PolarHBondContact OD1-OG 3.16Å; D75-K78 HydrophobicContact CB-CD 4.14Å; D75-K78 PolarHBondContact O-N 2.79Å; D75-K78 WeakPolarHBondContact OD2-CD 3.5Å; D75-K78 WeakPolarHBondContact OD2-CE 3.41Å; D75-K78 WeakPolarHBondContact OD2-CG 3.27Å; D75-K78 IonicContact OD2-NZ 3.67Å; D75-K78 PolarHBondContact OD2-NZ 3.45Å
76Q80.9Confident85.9Confident98 Ų9862.1 Ų62.146%0.45833%0.328SS..G310 helixtrans-65-13.7178.3-66.7170.644.800113.2P73 K78 V79P73-Q76 HydrophobicContact CG-CG 4.16Å; Q76-K78 VanDerWaalsContact C-N 3.27Å; Q76-K78 PolarHBondContact O-N 3.3Å; Q76-V79 PolarHBondContact O-N 3.07Å
77S80.6Confident84.9Confident107 Ų10762 Ų6275%0.74832%0.324SS*.G310 helixtrans-74.1-18.4179.578.30000113.4D75D75-S77 PolarHBondContact O-N 2.78Å; D75-S77 VanDerWaalsContact OD1-CB 3.31Å; D75-S77 WeakPolarHBondContact OD1-CB 3.38Å; D75-S77 PolarHBondContact OD1-N 3.01Å; D75-S77 PolarHBondContact OD1-OG 3.16Å
78K83.6Confident84Confident126 Ų12661.2 Ų61.255%0.54833%0.332SS..G310 helixtrans-81.1-12.9173.7-68.7169.5-180153.40113.7Y34 D75 Q76 N80Y34-K78 HydrophobicContact CE2-CB 4.33Å; D75-K78 HydrophobicContact CB-CD 4.14Å; D75-K78 PolarHBondContact O-N 2.79Å; D75-K78 WeakPolarHBondContact OD2-CD 3.5Å; D75-K78 WeakPolarHBondContact OD2-CE 3.41Å; D75-K78 WeakPolarHBondContact OD2-CG 3.27Å; D75-K78 IonicContact OD2-NZ 3.67Å; D75-K78 PolarHBondContact OD2-NZ 3.45Å; Q76-K78 VanDerWaalsContact C-N 3.27Å; Q76-K78 PolarHBondContact O-N 3.3Å; K78-N80 PolarHBondContact O-N 3.39Å
79V83.1Confident83.4Confident11 Ų1159.5 Ų59.57%0.06732%0.322CS..  trans-84.1117.8-170.2-176.50000111.2Y34 P73 Q76 W81 L84Y34-V79 HydrophobicContact CD1-CG2 3.99Å; Y34-V79 HydrophobicContact CE1-CG2 4.43Å; Y34-V79 HydrophobicContact CG-CG2 4.18Å; P73-V79 HydrophobicContact CG-CG2 3.86Å; Q76-V79 PolarHBondContact O-N 3.07Å; V79-W81 HydrophobicContact CB-CZ2 3.98Å; V79-W81 HydrophobicContact CG1-CD2 3.81Å; V79-W81 HydrophobicContact CG1-CE3 4.09Å; V79-W81 HydrophobicContact CG1-CG 4.38Å; V79-W81 HydrophobicContact CG1-CH2 3.88Å; V79-W81 HydrophobicContact CG1-CZ2 3.61Å; V79-W81 HydrophobicContact CG1-CZ3 4.12Å; V79-W81 HydrophobicContact CG2-CZ2 4.44Å; V79-W81 PolarHBondContact O-N 2.99Å; V79-L84 HydrophobicContact CG1-CD1 3.48Å; V79-L84 VanDerWaalsContact CG1-CD1 3.48Å; V79-L84 HydrophobicContact CG1-CG 4.48Å
80N84.7Confident82.6Confident78 Ų7861.9 Ų61.942%0.41733%0.334SS..  trans-84.687.2174.2-174.98.8000111.3K78 D82 Q83 L84K78-N80 PolarHBondContact O-N 3.39Å; N80-D82 VanDerWaalsContact C-N 3.26Å; N80-D82 PolarHBondContact O-N 3.05Å; N80-Q83 HydrophobicContact CB-CB 4.2Å; N80-Q83 WeakPolarHBondContact ND2-CB 3.1Å; N80-Q83 PolarHBondContact ND2-OE1 3.33Å; N80-Q83 PolarHBondContact O-N 2.89Å; N80-Q83 VanDerWaalsContact O-N 3.12Å; N80-L84 PolarHBondContact O-N 3.43Å
81W81.7Confident81.8Confident66 Ų6665.3 Ų65.325%0.2535%0.354CS..Hα-helixtrans-59-31.4-177.1-63.8103.8000114.4V79 Q83 L84 A85 F94V79-W81 HydrophobicContact CB-CZ2 3.98Å; V79-W81 HydrophobicContact CG1-CD2 3.81Å; V79-W81 HydrophobicContact CG1-CE3 4.09Å; V79-W81 HydrophobicContact CG1-CG 4.38Å; V79-W81 HydrophobicContact CG1-CH2 3.88Å; V79-W81 HydrophobicContact CG1-CZ2 3.61Å; V79-W81 HydrophobicContact CG1-CZ3 4.12Å; V79-W81 HydrophobicContact CG2-CZ2 4.44Å; V79-W81 PolarHBondContact O-N 2.99Å; W81-Q83 VanDerWaalsContact C-N 3.29Å; W81-Q83 PolarHBondContact O-N 3.42Å; W81-L84 HydrophobicContact CE3-CD1 4.09Å; W81-L84 HydrophobicContact CZ3-CD1 4.04Å; W81-L84 PolarHBondContact O-N 3.23Å; W81-A85 WeakPolarHBondContact O-CB 3.47Å; W81-A85 PolarHBondContact O-N 3.42Å; W81-F94 HydrophobicContact CH2-CB 4.37Å; W81-F94 AromaticContact CH2-CD1 3.42Å; W81-F94 HydrophobicContact CH2-CD1 3.42Å; W81-F94 VanDerWaalsContact CH2-CD1 3.42Å; W81-F94 HydrophobicContact CH2-CD2 4.17Å; W81-F94 AromaticContact CH2-CE1 3.68Å; W81-F94 HydrophobicContact CH2-CE1 3.68Å; W81-F94 HydrophobicContact CH2-CE2 4.4Å; W81-F94 AromaticContact CH2-CG 3.69Å; W81-F94 HydrophobicContact CH2-CG 3.69Å; W81-F94 HydrophobicContact CH2-CZ 4.16Å; W81-F94 HydrophobicContact CZ2-CD1 4.36Å; W81-F94 HydrophobicContact CZ2-CE1 4.46Å; W81-F94 HydrophobicContact CZ3-CB 4.14Å; W81-F94 HydrophobicContact CZ3-CD1 4.04Å; W81-F94 HydrophobicContact CZ3-CD2 4.24Å; W81-F94 AromaticContact CZ3-CG 3.84Å; W81-F94 HydrophobicContact CZ3-CG 3.84Å
82D82.3Confident81Confident124 Ų12470.9 Ų70.966%0.66338%0.38SS*.Hα-helixtrans-67.2-31.2178.2-65.7-30.2000112.4N80 Q86N80-D82 VanDerWaalsContact C-N 3.26Å; N80-D82 PolarHBondContact O-N 3.05Å; D82-Q86 WeakPolarHBondContact O-CG 3.38Å; D82-Q86 PolarHBondContact O-NE2 3.06Å
83Q81.8Confident80.4Confident78 Ų7869.3 Ų69.336%0.36438%0.375SS..Hα-helixtrans-78.6-34.1174.9-179.2176.9-8.900111.6N80 W81 Q86 R87N80-Q83 HydrophobicContact CB-CB 4.2Å; N80-Q83 WeakPolarHBondContact ND2-CB 3.1Å; N80-Q83 PolarHBondContact ND2-OE1 3.33Å; N80-Q83 PolarHBondContact O-N 2.89Å; N80-Q83 VanDerWaalsContact O-N 3.12Å; W81-Q83 VanDerWaalsContact C-N 3.29Å; W81-Q83 PolarHBondContact O-N 3.42Å; Q83-Q86 PolarHBondContact O-N 3.31Å; Q83-R87 PolarHBondContact O-N 3.12Å
84L82.9Confident80Confident0 Ų069.5 Ų69.50%038%0.375CS..Hα-helixtrans-71.6-35174.6-65.6-171.9000112.7I49 V79 N80 W81 Q86 R87 G88 I89I49-L84 HydrophobicContact CD1-CD1 3.62Å; I49-L84 HydrophobicContact CD1-CD2 3.6Å; I49-L84 HydrophobicContact CD1-CG 4.25Å; V79-L84 HydrophobicContact CG1-CD1 3.48Å; V79-L84 VanDerWaalsContact CG1-CD1 3.48Å; V79-L84 HydrophobicContact CG1-CG 4.48Å; N80-L84 PolarHBondContact O-N 3.43Å; W81-L84 HydrophobicContact CE3-CD1 4.09Å; W81-L84 HydrophobicContact CZ3-CD1 4.04Å; W81-L84 PolarHBondContact O-N 3.23Å; L84-Q86 PolarHBondContact O-N 3.39Å; L84-R87 CarbonylContact O-C 3.6Å; L84-R87 WeakPolarHBondContact O-CA 3.47Å; L84-R87 PolarHBondContact O-N 3.28Å; L84-G88 PolarHBondContact O-N 3.21Å; L84-I89 CarbonylContact C-O 3.54Å; L84-I89 VanDerWaalsContact C-O 3.28Å; L84-I89 HydrophobicContact CB-CB 4.22Å; L84-I89 PolarHBondContact O-N 3.06Å
85A80.3Confident79.4Confident52 Ų5273.2 Ų73.243%0.4338%0.376SS..Hα-helixtrans-60-35.5172.300000112.1W81 R87 G88 I89W81-A85 WeakPolarHBondContact O-CB 3.47Å; W81-A85 PolarHBondContact O-N 3.42Å; A85-R87 VanDerWaalsContact C-N 3.28Å; A85-R87 PolarHBondContact O-N 2.87Å; A85-G88 PolarHBondContact O-N 3.13Å; A85-I89 PolarHBondContact N-O 3.07Å
86Q73.6Confident79.3Confident168 Ų16875.5 Ų75.579%0.78539%0.394SS*.Hα-helixtrans-68.1-24.9173.6-67.6168.442.200113.1D82 Q83 L84 G88D82-Q86 WeakPolarHBondContact O-CG 3.38Å; D82-Q86 PolarHBondContact O-NE2 3.06Å; Q83-Q86 PolarHBondContact O-N 3.31Å; L84-Q86 PolarHBondContact O-N 3.39Å; Q86-G88 VanDerWaalsContact C-N 3.3Å
87R74.5Confident79.6Confident47 Ų4771.7 Ų71.718%0.17738%0.378CS..THydrogen-bonded Turntrans-86.78169.4-65.7-174.6177.3141.66.3113.2G35 E37 Q83 L84 A85 I89G35-R87 PolarHBondContact O-NH1 2.72Å; G35-R87 PolarHBondContact O-NH2 2.75Å; E37-R87 IonicContact OE1-CZ 2.72Å; E37-R87 IonicContact OE1-NE 2.79Å; E37-R87 PolarHBondContact OE1-NE 3.21Å; E37-R87 IonicContact OE1-NH2 3.52Å; E37-R87 PolarHBondContact OE1-NH2 2.98Å; E37-R87 IonicContact OE2-CZ 3.74Å; E37-R87 IonicContact OE2-NE 3.17Å; E37-R87 PolarHBondContact OE2-NE 2.7Å; E37-R87 IonicContact OE2-NH2 2.68Å; E37-R87 PolarHBondContact OE2-NH2 3.43Å; Q83-R87 PolarHBondContact O-N 3.12Å; L84-R87 CarbonylContact O-C 3.6Å; L84-R87 WeakPolarHBondContact O-CA 3.47Å; L84-R87 PolarHBondContact O-N 3.28Å; A85-R87 VanDerWaalsContact C-N 3.28Å; A85-R87 PolarHBondContact O-N 2.87Å; R87-I89 VanDerWaalsContact C-N 3.32Å; R87-I89 PolarHBondContact O-N 3.36Å
88G74.7Confident80.1Confident34 Ų3469.6 Ų69.635%0.35136%0.357SS..THydrogen-bonded Turntrans78.17.3-178.300000115.2L84 A85 Q86L84-G88 PolarHBondContact O-N 3.21Å; A85-G88 PolarHBondContact O-N 3.13Å; Q86-G88 VanDerWaalsContact C-N 3.3Å
89I80Confident80.5Confident1 Ų166.5 Ų66.51%0.00535%0.35CS..  trans-96.2100.2179.2-55.6174.8000108.8V32 I49 Y70 L84 A85 R87V32-I89 HydrophobicContact CG1-CD1 4.28Å; I49-I89 HydrophobicContact CD1-CD1 3.64Å; I49-I89 HydrophobicContact CG1-CD1 4.41Å; Y70-I89 HydrophobicContact CD1-CG2 4.49Å; Y70-I89 HydrophobicContact CE1-CG1 4.47Å; Y70-I89 HydrophobicContact CE1-CG2 4.09Å; L84-I89 CarbonylContact C-O 3.54Å; L84-I89 VanDerWaalsContact C-O 3.28Å; L84-I89 HydrophobicContact CB-CB 4.22Å; L84-I89 PolarHBondContact O-N 3.06Å; A85-I89 PolarHBondContact N-O 3.07Å; R87-I89 VanDerWaalsContact C-N 3.32Å; R87-I89 PolarHBondContact O-N 3.36Å
90T75.4Confident81Confident62 Ų6266 Ų6638%0.3835%0.347SS..  trans-92.4155.6177.273.10000112E92 V93 F94T90-E92 PolarHBondContact O-N 3.25Å; T90-E92 VanDerWaalsContact O-N 3.11Å; T90-V93 PolarHBondContact O-N 3.11Å; T90-F94 WeakPolarHBondContact O-CB 3.4Å; T90-F94 PolarHBondContact O-N 3.2Å
91I76Confident81.4Confident102 Ų10267.9 Ų67.952%0.52335%0.353SS..Hα-helixtrans-60.5-20.8177.5-163.3168.9000113.4R95I91-R95 PolarHBondContact O-N 2.94Å
92E75Confident82Confident118 Ų11871.2 Ų71.255%0.55137%0.369SS*.Hα-helixtrans-74.6-47.8178-58.9-119.898.100111.3T90 F94 R95T90-E92 PolarHBondContact O-N 3.25Å; T90-E92 VanDerWaalsContact O-N 3.11Å; E92-F94 PolarHBondContact O-N 3.36Å; E92-R95 VanDerWaalsContact O-CB 3.28Å; E92-R95 WeakPolarHBondContact O-CB 3.37Å; E92-R95 PolarHBondContact O-N 2.84Å; E92-R95 IonicContact OE1-CZ 3.56Å; E92-R95 IonicContact OE1-NH1 3.93Å; E92-R95 PolarHBondContact OE1-NH1 3.35Å; E92-R95 IonicContact OE1-NH2 3.54Å; E92-R95 PolarHBondContact OE1-NH2 3.02Å
93V77.6Confident82.6Confident37 Ų3765.3 Ų65.322%0.22434%0.338CS..Hα-helixtrans-64.1-29.3173.5-179.90000110.9Y70 T90 P96 F190Y70-V93 HydrophobicContact CD2-CG1 4.01Å; Y70-V93 HydrophobicContact CE1-CG1 4.25Å; Y70-V93 HydrophobicContact CE2-CG1 3.36Å; T90-V93 PolarHBondContact O-N 3.11Å; V93-P96 WeakPolarHBondContact O-CD 3.49Å; V93-F190 HydrophobicContact CG1-CD1 3.99Å; V93-F190 HydrophobicContact CG1-CE1 3.92Å; V93-F190 HydrophobicContact CG2-CD1 4.38Å; V93-F190 HydrophobicContact CG2-CE1 3.87Å
94F79.1Confident83.2Confident9 Ų962 Ų624%0.03932%0.323CS..Hα-helixtrans-79.3-21.5176.9-161.8-94.2000114.7I49 Y70 V71 P73 W81 T90 E92 P96 S97I49-F94 HydrophobicContact CB-CE2 4.08Å; I49-F94 HydrophobicContact CG2-CE2 4.28Å; Y70-F94 HydrophobicContact CD1-CD2 4.22Å; V71-F94 VanDerWaalsContact O-CE2 3.31Å; V71-F94 WeakPolarHBondContact O-CE2 3.28Å; V71-F94 WeakPolarHBondContact O-CZ 3.31Å; P73-F94 VanDerWaalsContact CD-CZ 3.49Å; W81-F94 HydrophobicContact CH2-CB 4.37Å; W81-F94 AromaticContact CH2-CD1 3.42Å; W81-F94 HydrophobicContact CH2-CD1 3.42Å; W81-F94 VanDerWaalsContact CH2-CD1 3.42Å; W81-F94 HydrophobicContact CH2-CD2 4.17Å; W81-F94 AromaticContact CH2-CE1 3.68Å; W81-F94 HydrophobicContact CH2-CE1 3.68Å; W81-F94 HydrophobicContact CH2-CE2 4.4Å; W81-F94 AromaticContact CH2-CG 3.69Å; W81-F94 HydrophobicContact CH2-CG 3.69Å; W81-F94 HydrophobicContact CH2-CZ 4.16Å; W81-F94 HydrophobicContact CZ2-CD1 4.36Å; W81-F94 HydrophobicContact CZ2-CE1 4.46Å; W81-F94 HydrophobicContact CZ3-CB 4.14Å; W81-F94 HydrophobicContact CZ3-CD1 4.04Å; W81-F94 HydrophobicContact CZ3-CD2 4.24Å; W81-F94 AromaticContact CZ3-CG 3.84Å; W81-F94 HydrophobicContact CZ3-CG 3.84Å; T90-F94 WeakPolarHBondContact O-CB 3.4Å; T90-F94 PolarHBondContact O-N 3.2Å; E92-F94 PolarHBondContact O-N 3.36Å; F94-P96 VanDerWaalsContact C-CD 3.47Å; F94-S97 WeakPolarHBondContact CE1-OG 3.49Å; F94-S97 WeakPolarHBondContact CZ-OG 3.45Å; F94-S97 WeakPolarHBondContact O-CB 3.38Å; F94-S97 PolarHBondContact O-N 3.24Å; F94-S97 PolarHBondContact O-OG 3.19Å
95R75.8Confident83.8Confident166 Ų16665.3 Ų65.363%0.62635%0.345SS*.THydrogen-bonded Turntrans-54.8-36.5-175.7-167.3179.5-69130.8-2.6115.3I91 E92I91-R95 PolarHBondContact O-N 2.94Å; E92-R95 VanDerWaalsContact O-CB 3.28Å; E92-R95 WeakPolarHBondContact O-CB 3.37Å; E92-R95 PolarHBondContact O-N 2.84Å; E92-R95 IonicContact OE1-CZ 3.56Å; E92-R95 IonicContact OE1-NH1 3.93Å; E92-R95 PolarHBondContact OE1-NH1 3.35Å; E92-R95 IonicContact OE1-NH2 3.54Å; E92-R95 PolarHBondContact OE1-NH2 3.02Å
96P81.9Confident84.4Confident102 Ų10266.8 Ų66.866%0.66234%0.342SS*.THydrogen-bonded Turntrans-89.214.7174.836.7-37.8000114.7V93 F94V93-P96 WeakPolarHBondContact O-CD 3.49Å; F94-P96 VanDerWaalsContact C-CD 3.47Å
97S86Confident85.3Confident18 Ų1858.8 Ų58.813%0.12631%0.305CS..  trans-60.5155.1178.157.30000113.2Y70 F94Y70-S97 WeakPolarHBondContact O-CA 3.44Å; Y70-S97 WeakPolarHBondContact O-CB 3.41Å; F94-S97 WeakPolarHBondContact CE1-OG 3.49Å; F94-S97 WeakPolarHBondContact CZ-OG 3.45Å; F94-S97 WeakPolarHBondContact O-CB 3.38Å; F94-S97 PolarHBondContact O-N 3.24Å; F94-S97 PolarHBondContact O-OG 3.19Å
98M91.1Very high86.2Confident63 Ų6357.7 Ų57.731%0.3130%0.302SS..EExtended strand (participates in β ladder)trans-128.5155.2178.8-61.1-172.3-66.700111.3Y70 V71 Q72 K102 T103 K106Y70-M98 PolarHBondContact O-N 3.21Å; V71-M98 CarbonylContact C-O 3.59Å; V71-M98 WeakPolarHBondContact CA-O 3.39Å; Q72-M98 PolarHBondContact N-O 3.34Å; M98-K102 HydrophobicContact CB-CB 4.08Å; M98-K102 HydrophobicContact CE-CB 4.48Å; M98-K102 HydrophobicContact SD-CB 4.24Å; M98-T103 PolarHBondContact O-OG1 3Å; M98-K106 HydrophobicContact CE-CB 4.23Å; M98-K106 HydrophobicContact CE-CD 3.73Å
99P92.5Very high87Confident60 Ų6059 Ų5939%0.3931%0.306SS..EExtended strand (participates in β ladder)trans-55.2143.4172.7-26.434.9000112.2Q101 K102 T103P99-Q101 VanDerWaalsContact C-N 3.27Å; P99-Q101 PolarHBondContact O-N 3.13Å; P99-K102 PolarHBondContact O-N 2.99Å; P99-T103 PolarHBondContact O-N 3.12Å
100L93.9Very high87.6Confident2 Ų261.6 Ų61.61%0.0132%0.318CS..Hα-helixtrans-42.8-48.2-170.6178.162.2000113.8V71 K102 T103 L104 L136 E139 I145V71-L100 HydrophobicContact CG1-CB 3.78Å; V71-L100 HydrophobicContact CG1-CD1 4.16Å; V71-L100 HydrophobicContact CG2-CD1 4.01Å; L100-K102 VanDerWaalsContact C-N 3.34Å; L100-K102 PolarHBondContact O-N 3.49Å; L100-T103 PolarHBondContact O-N 3.13Å; L100-L104 HydrophobicContact CD1-CD1 3.95Å; L100-L104 HydrophobicContact CD1-CG 3.98Å; L100-L104 HydrophobicContact CD2-CD1 4.42Å; L100-L104 HydrophobicContact CG-CD1 3.81Å; L100-L104 HydrophobicContact CG-CG 4.3Å; L100-L104 WeakPolarHBondContact O-CG 3.34Å; L100-L104 PolarHBondContact O-N 3.02Å; L100-L136 HydrophobicContact CD1-CD1 4.35Å; L100-L136 HydrophobicContact CD2-CD1 4.32Å; L100-E139 HydrophobicContact CD2-CB 4.48Å; L100-E139 HydrophobicContact CD2-CG 4.04Å; L100-E139 WeakPolarHBondContact CD2-OE1 3.33Å; L100-I145 HydrophobicContact CB-CD1 4.02Å; L100-I145 HydrophobicContact CD2-CD1 4Å; L100-I145 HydrophobicContact CG-CD1 4.11Å
101Q94Very high88.3Confident116 Ų11658.6 Ų58.654%0.54230%0.3SS..Hα-helixtrans-56.3-43.6179.2-171.2-179.813.300113P99 S105 I145P99-Q101 VanDerWaalsContact C-N 3.27Å; P99-Q101 PolarHBondContact O-N 3.13Å; Q101-S105 PolarHBondContact O-N 3.02Å; Q101-S105 PolarHBondContact O-OG 2.96Å; Q101-S105 VanDerWaalsContact O-OG 3.12Å; Q101-I145 HydrophobicContact CB-CD1 3.92Å; Q101-I145 HydrophobicContact CB-CG1 4.1Å; Q101-I145 HydrophobicContact CB-CG2 4.28Å; Q101-I145 HydrophobicContact CG-CG2 4.18Å
102K94.3Very high88.9Confident136 Ų13658 Ų5859%0.59130%0.295SS*.Hα-helixtrans-70.5-37.1179-68.9-171.1179.2-178.10111.8M98 P99 L100 K106M98-K102 HydrophobicContact CB-CB 4.08Å; M98-K102 HydrophobicContact CE-CB 4.48Å; M98-K102 HydrophobicContact SD-CB 4.24Å; P99-K102 PolarHBondContact O-N 2.99Å; L100-K102 VanDerWaalsContact C-N 3.34Å; L100-K102 PolarHBondContact O-N 3.49Å; K102-K106 WeakPolarHBondContact O-CB 3.48Å; K102-K106 PolarHBondContact O-N 2.96Å
103T94.8Very high89.5Confident1 Ų159 Ų591%0.00630%0.299CS..Hα-helixtrans-65.6-44.4175.6-56.30000110.9I51 V71 M98 P99 L100 K106 L107I51-T103 HydrophobicContact CG2-CG2 3.72Å; V71-T103 HydrophobicContact CG2-CG2 3.91Å; M98-T103 PolarHBondContact O-OG1 3Å; P99-T103 PolarHBondContact O-N 3.12Å; L100-T103 PolarHBondContact O-N 3.13Å; T103-K106 PolarHBondContact O-N 2.9Å; T103-L107 HydrophobicContact CG2-CD1 3.97Å; T103-L107 WeakPolarHBondContact O-CB 3.36Å; T103-L107 VanDerWaalsContact O-CG 3.25Å; T103-L107 WeakPolarHBondContact O-CG 3.29Å; T103-L107 PolarHBondContact O-N 3.11Å
104L94.7Very high90Very high8 Ų858.9 Ų58.94%0.04230%0.3CS..Hα-helixtrans-59.7-50.7173.3-71.1169.4000111.9I51 L100 K106 L107 L108 L136 L147 F151I51-L104 HydrophobicContact CD1-CD2 3.74Å; L100-L104 HydrophobicContact CD1-CD1 3.95Å; L100-L104 HydrophobicContact CD1-CG 3.98Å; L100-L104 HydrophobicContact CD2-CD1 4.42Å; L100-L104 HydrophobicContact CG-CD1 3.81Å; L100-L104 HydrophobicContact CG-CG 4.3Å; L100-L104 WeakPolarHBondContact O-CG 3.34Å; L100-L104 PolarHBondContact O-N 3.02Å; L104-K106 PolarHBondContact O-N 2.87Å; L104-L107 PolarHBondContact O-N 3.12Å; L104-L107 VanDerWaalsContact O-N 3.13Å; L104-L108 WeakPolarHBondContact O-CG 3.44Å; L104-L108 PolarHBondContact O-N 3.5Å; L104-L136 HydrophobicContact CD1-CD1 4.33Å; L104-L136 HydrophobicContact CD2-CD1 4.36Å; L104-L147 HydrophobicContact CD1-CD2 3.89Å; L104-F151 HydrophobicContact CD2-CE1 4.34Å; L104-F151 HydrophobicContact CD2-CE2 4.26Å; L104-F151 HydrophobicContact CD2-CZ 3.76Å
105S93.8Very high90.2Very high69 Ų6958.9 Ų58.948%0.48330%0.3SS..Hα-helixtrans-62.8-37.3179.3-62.10000113.4Q101 C109Q101-S105 PolarHBondContact O-N 3.02Å; Q101-S105 PolarHBondContact O-OG 2.96Å; Q101-S105 VanDerWaalsContact O-OG 3.12Å; S105-C109 WeakPolarHBondContact O-CB 3.39Å; S105-C109 PolarHBondContact O-N 3.12Å
106K94.1Very high90.5Very high84 Ų8459.5 Ų59.537%0.36531%0.307SS..Hα-helixtrans-58.8-50.2170.8167.8-177.7173.7-76.40110.4D68 M98 K102 T103 L104 C109 Q110D68-K106 PolarHBondContact O-NZ 3.03Å; M98-K106 HydrophobicContact CE-CB 4.23Å; M98-K106 HydrophobicContact CE-CD 3.73Å; K102-K106 WeakPolarHBondContact O-CB 3.48Å; K102-K106 PolarHBondContact O-N 2.96Å; T103-K106 PolarHBondContact O-N 2.9Å; L104-K106 PolarHBondContact O-N 2.87Å; K106-C109 PolarHBondContact O-N 2.93Å; K106-Q110 VanDerWaalsContact CE-OE1 3.3Å; K106-Q110 WeakPolarHBondContact O-CG 3.48Å; K106-Q110 PolarHBondContact O-N 2.82Å
107L93.3Very high90.1Very high0 Ų058.3 Ų58.30%029%0.294CS..Hα-helixtrans-68.5-43.4-173.7-70.2172.3000112.6I51 F53 Y67 T103 L104 C109 Q110 L111I51-L107 HydrophobicContact CG2-CD1 3.81Å; F53-L107 HydrophobicContact CD2-CB 4Å; F53-L107 HydrophobicContact CD2-CD1 3.95Å; F53-L107 HydrophobicContact CD2-CG 4.38Å; F53-L107 HydrophobicContact CE2-CB 3.75Å; F53-L107 HydrophobicContact CE2-CD1 3.69Å; F53-L107 HydrophobicContact CE2-CG 4.29Å; Y67-L107 VanDerWaalsContact C-CD2 3.43Å; T103-L107 HydrophobicContact CG2-CD1 3.97Å; T103-L107 WeakPolarHBondContact O-CB 3.36Å; T103-L107 VanDerWaalsContact O-CG 3.25Å; T103-L107 WeakPolarHBondContact O-CG 3.29Å; T103-L107 PolarHBondContact O-N 3.11Å; L104-L107 PolarHBondContact O-N 3.12Å; L104-L107 VanDerWaalsContact O-N 3.13Å; L107-C109 VanDerWaalsContact C-N 3.33Å; L107-C109 PolarHBondContact O-N 3.19Å; L107-Q110 PolarHBondContact O-N 3.18Å; L107-L111 VanDerWaalsContact O-CG 3.26Å; L107-L111 WeakPolarHBondContact O-CG 3.16Å; L107-L111 PolarHBondContact O-N 3.05Å
108L92.6Very high89.5Confident23 Ų2360.9 Ų60.912%0.1231%0.31CS..Hα-helixtrans-57.2-45.9173.8-68.6170.7000111.5L104 Q110 L111 E112 D148 L150 F151L104-L108 WeakPolarHBondContact O-CG 3.44Å; L104-L108 PolarHBondContact O-N 3.5Å; L108-Q110 VanDerWaalsContact C-N 3.35Å; L108-Q110 PolarHBondContact O-N 2.83Å; L108-L111 WeakPolarHBondContact O-CB 3.31Å; L108-L111 PolarHBondContact O-N 3.43Å; L108-L111 VanDerWaalsContact O-N 3.08Å; L108-E112 WeakPolarHBondContact O-CG 3.21Å; L108-E112 PolarHBondContact O-N 2.86Å; L108-D148 HydrophobicContact CD1-CB 3.89Å; L108-L150 HydrophobicContact CD2-CD2 3.91Å; L108-F151 HydrophobicContact CD1-CE2 4.29Å; L108-F151 HydrophobicContact CD2-CE2 4.11Å; L108-F151 HydrophobicContact CD2-CZ 4.23Å
109C91.7Very high88.7Confident63 Ų6358.7 Ų58.743%0.42630%0.3SS..Hα-helixtrans-60.1-41.5176.4-176.70000112.6S105 K106 L107 L111 E112 E113S105-C109 WeakPolarHBondContact O-CB 3.39Å; S105-C109 PolarHBondContact O-N 3.12Å; K106-C109 PolarHBondContact O-N 2.93Å; L107-C109 VanDerWaalsContact C-N 3.33Å; L107-C109 PolarHBondContact O-N 3.19Å; C109-L111 VanDerWaalsContact C-N 3.33Å; C109-L111 PolarHBondContact O-N 2.9Å; C109-E112 PolarHBondContact O-N 3.48Å; C109-E113 WeakPolarHBondContact O-CG 3.35Å; C109-E113 PolarHBondContact O-N 2.9Å
110Q91.6Very high87.7Confident54 Ų5461.8 Ų61.825%0.25231%0.313SS..Hα-helixtrans-67.6-30.7174.8-67.2-173.9-92.400113.1Y67 K106 L107 L108 C114Y67-Q110 HydrophobicContact CD1-CB 3.75Å; Y67-Q110 HydrophobicContact CD1-CG 4.44Å; Y67-Q110 HydrophobicContact CE1-CB 4.1Å; Y67-Q110 HydrophobicContact CG-CB 4.26Å; K106-Q110 VanDerWaalsContact CE-OE1 3.3Å; K106-Q110 WeakPolarHBondContact O-CG 3.48Å; K106-Q110 PolarHBondContact O-N 2.82Å; L107-Q110 PolarHBondContact O-N 3.18Å; L108-Q110 VanDerWaalsContact C-N 3.35Å; L108-Q110 PolarHBondContact O-N 2.83Å; Q110-C114 VanDerWaalsContact O-CB 3.25Å; Q110-C114 WeakPolarHBondContact O-CB 3.18Å; Q110-C114 PolarHBondContact O-N 3.03Å; Q110-C114 VanDerWaalsContact O-N 3.11Å
111L90.6Very high87.1Confident0 Ų064.4 Ų64.40%033%0.327CS..Hα-helixtrans-72.2-42.9175.4-68.6170000111.6L27 F53 V55 Y67 L107 L108 C109 C114 T115L27-L111 HydrophobicContact CD1-CD1 4.35Å; L27-L111 HydrophobicContact CD1-CD2 3.67Å; L27-L111 HydrophobicContact CD2-CD1 3.78Å; F53-L111 HydrophobicContact CB-CD2 4.43Å; F53-L111 HydrophobicContact CD2-CD1 4.08Å; F53-L111 HydrophobicContact CE2-CD1 4.45Å; F53-L111 HydrophobicContact CG-CD1 4.25Å; V55-L111 HydrophobicContact CG2-CD2 3.38Å; Y67-L111 HydrophobicContact CD2-CD2 3.78Å; Y67-L111 HydrophobicContact CE2-CD2 4.39Å; L107-L111 VanDerWaalsContact O-CG 3.26Å; L107-L111 WeakPolarHBondContact O-CG 3.16Å; L107-L111 PolarHBondContact O-N 3.05Å; L108-L111 WeakPolarHBondContact O-CB 3.31Å; L108-L111 PolarHBondContact O-N 3.43Å; L108-L111 VanDerWaalsContact O-N 3.08Å; C109-L111 VanDerWaalsContact C-N 3.33Å; C109-L111 PolarHBondContact O-N 2.9Å; L111-C114 PolarHBondContact O-N 3.46Å; L111-T115 WeakPolarHBondContact O-CB 3.47Å; L111-T115 WeakPolarHBondContact O-CG2 3.15Å; L111-T115 PolarHBondContact O-N 2.96Å; L111-T115 PolarHBondContact O-OG1 3Å
112E88.4Confident86.8Confident90 Ų9059.4 Ų59.442%0.42130%0.304SS..Hα-helixtrans-61.2-43.9173.9-71.6168.6-159.500111.6L108 C109 C114 K116 N119L108-E112 WeakPolarHBondContact O-CG 3.21Å; L108-E112 PolarHBondContact O-N 2.86Å; C109-E112 PolarHBondContact O-N 3.48Å; E112-C114 VanDerWaalsContact C-N 3.34Å; E112-C114 PolarHBondContact O-N 3.49Å; E112-K116 WeakPolarHBondContact O-CA 3.44Å; E112-K116 PolarHBondContact O-N 3.23Å; E112-N119 PolarHBondContact OE1-ND2 2.86Å
113E88.5Confident86.6Confident139 Ų13953 Ų5365%0.6528%0.276SS*.Hα-helixtrans-61.1-38.7173.4-76.1-179.1176.100113.1C109C109-E113 WeakPolarHBondContact O-CG 3.35Å; C109-E113 PolarHBondContact O-N 2.9Å
114C87Confident86.5Confident34 Ų3453 Ų5323%0.2328%0.276CS..Hα-helixtrans-73.1-50.7-178.7-175.60000112.4Y67 Q110 L111 E112Y67-C114 HydrophobicContact CE2-CB 3.86Å; Y67-C114 WeakPolarHBondContact OH-CB 3.49Å; Y67-C114 PolarHBondContact OH-SG 3.09Å; Q110-C114 VanDerWaalsContact O-CB 3.25Å; Q110-C114 WeakPolarHBondContact O-CB 3.18Å; Q110-C114 PolarHBondContact O-N 3.03Å; Q110-C114 VanDerWaalsContact O-N 3.11Å; L111-C114 PolarHBondContact O-N 3.46Å; E112-C114 VanDerWaalsContact C-N 3.34Å; E112-C114 PolarHBondContact O-N 3.49Å
115T84.8Confident86.5Confident9 Ų952.6 Ų52.66%0.05527%0.274CS..Hα-helixtrans-82.9-31.8-172.460.20000112.7Y25 V55 L111 M117 L122Y25-T115 HydrophobicContact CD2-CG2 3.79Å; Y25-T115 HydrophobicContact CE2-CG2 4.18Å; Y25-T115 HydrophobicContact CG-CG2 4.47Å; V55-T115 HydrophobicContact CG1-CG2 4.07Å; L111-T115 WeakPolarHBondContact O-CB 3.47Å; L111-T115 WeakPolarHBondContact O-CG2 3.15Å; L111-T115 PolarHBondContact O-N 2.96Å; L111-T115 PolarHBondContact O-OG1 3Å; T115-M117 PolarHBondContact O-N 3.21Å; T115-L122 HydrophobicContact CG2-CD1 4.39Å; T115-L122 HydrophobicContact CG2-CD2 3.79Å
116K82.1Confident86.5Confident178 Ų17849.3 Ų49.377%0.77425%0.251SS*.  trans60.424.1-175-52.7177-175.2174.20114.1E112E112-K116 WeakPolarHBondContact O-CA 3.44Å; E112-K116 PolarHBondContact O-N 3.23Å
117M72.2Confident86.2Confident77 Ų7746.8 Ų46.838%0.37924%0.243SC..SBendtrans-124.9157.4179.5-61.5-58.4-64.300109.3T115 D121T115-M117 PolarHBondContact O-N 3.21Å; M117-D121 HydrophobicContact CB-CB 4.42Å; M117-D121 WeakPolarHBondContact CE-OD2 3.33Å
118P74.2Confident86Confident73 Ų7347.4 Ų47.447%0.47425%0.249SC..  trans-62.4152.6168.129.3-35.8000111D120 D121P118-D120 PolarHBondContact O-N 2.86Å; P118-D120 VanDerWaalsContact O-N 3.07Å; P118-D121 PolarHBondContact O-N 2.8Å
119N74.1Confident85.9Confident16 Ų1647.1 Ų47.19%0.08625%0.247CC..G310 helixtrans-61.9-19.1-177.7-62.1-40.6000113.6E112 D121 L122 L150E112-N119 PolarHBondContact OE1-ND2 2.86Å; N119-D121 VanDerWaalsContact C-N 3.27Å; N119-D121 PolarHBondContact O-N 2.96Å; N119-L122 WeakPolarHBondContact O-CB 3.31Å; N119-L122 PolarHBondContact O-N 3.27Å; N119-L150 HydrophobicContact CB-CB 4.4Å
120D71.8Confident86Confident125 Ų12544.6 Ų44.667%0.66823%0.231SC*.G310 helixtrans-63.8-25.1176.9-64.9-45.1000114P118 L122P118-D120 PolarHBondContact O-N 2.86Å; P118-D120 VanDerWaalsContact O-N 3.07Å; D120-L122 VanDerWaalsContact C-N 3.3Å
121D79.9Confident86.1Confident58 Ų5842.6 Ų42.631%0.3122%0.222SC..G310 helixtrans-85.5-0.2178.2-73.6-35.5000113.3R24 M117 P118 N119R24-D121 PolarHBondContact N-O 3.31Å; M117-D121 HydrophobicContact CB-CB 4.42Å; M117-D121 WeakPolarHBondContact CE-OD2 3.33Å; P118-D121 PolarHBondContact O-N 2.8Å; N119-D121 VanDerWaalsContact C-N 3.27Å; N119-D121 PolarHBondContact O-N 2.96Å
122L87.5Confident86.2Confident11 Ų1142.6 Ų42.66%0.05822%0.222CC..EExtended strand (participates in β ladder)trans-103.6135.8-177.9-47.9-179.2000110.4Y25 T115 N119 D120 L150Y25-L122 HydrophobicContact CD2-CD2 3.93Å; Y25-L122 HydrophobicContact CG-CD2 4.43Å; T115-L122 HydrophobicContact CG2-CD1 4.39Å; T115-L122 HydrophobicContact CG2-CD2 3.79Å; N119-L122 WeakPolarHBondContact O-CB 3.31Å; N119-L122 PolarHBondContact O-N 3.27Å; D120-L122 VanDerWaalsContact C-N 3.3Å; L122-L150 HydrophobicContact CB-CD1 3.94Å
123L90.7Very high86.5Confident1 Ų138.4 Ų38.41%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-113.4121.5174.2173.557.3000112F23 Y25 L26 L27 F218 P221F23-L123 HydrophobicContact CB-CB 3.98Å; F23-L123 HydrophobicContact CD1-CB 3.99Å; F23-L123 HydrophobicContact CD2-CB 3.82Å; F23-L123 HydrophobicContact CD2-CD2 3.57Å; F23-L123 HydrophobicContact CD2-CG 4.29Å; F23-L123 HydrophobicContact CE1-CB 4.45Å; F23-L123 HydrophobicContact CE2-CB 4.31Å; F23-L123 HydrophobicContact CE2-CD2 3.77Å; F23-L123 HydrophobicContact CE2-CG 4.48Å; F23-L123 HydrophobicContact CG-CB 3.65Å; F23-L123 HydrophobicContact CG-CD2 4.28Å; Y25-L123 PolarHBondContact O-N 3.47Å; Y25-L123 VanDerWaalsContact O-N 3.16Å; L26-L123 CarbonylContact C-O 3.57Å; L26-L123 WeakPolarHBondContact CA-O 3.33Å; L26-L123 HydrophobicContact CD2-CB 4.08Å; L26-L123 HydrophobicContact CD2-CD2 4.17Å; L26-L123 HydrophobicContact CD2-CG 4.34Å; L27-L123 PolarHBondContact N-O 3.44Å; L123-F218 HydrophobicContact CD2-CB 3.75Å; L123-F218 VanDerWaalsContact CD2-O 3.29Å; L123-F218 WeakPolarHBondContact CD2-O 3.49Å; L123-P221 HydrophobicContact CD1-CB 3.57Å; L123-P221 HydrophobicContact CD1-CG 4.32Å; L123-P221 HydrophobicContact CD2-CB 4.42Å
124L93.4Very high86.8Confident0 Ų032.1 Ų32.10%017%0.173CC..EExtended strand (participates in β ladder)trans-72.3134.4177-158.860.3000111.6L27 M29 F53 L132 F151 R153 F154 C155L27-L124 HydrophobicContact CB-CD1 4.28Å; L27-L124 HydrophobicContact CD2-CD1 3.89Å; L27-L124 HydrophobicContact CG-CD1 4.19Å; M29-L124 HydrophobicContact CB-CD1 3.73Å; M29-L124 HydrophobicContact CB-CG 4.32Å; M29-L124 HydrophobicContact CG-CD1 4.19Å; M29-L124 HydrophobicContact SD-CD1 3.93Å; M29-L124 HydrophobicContact SD-CD2 3.88Å; M29-L124 HydrophobicContact SD-CG 4.06Å; F53-L124 HydrophobicContact CD1-CD1 4.27Å; F53-L124 HydrophobicContact CE1-CD1 4.02Å; L124-L132 HydrophobicContact CD2-CD1 3.74Å; L124-L132 HydrophobicContact CD2-CD2 3.9Å; L124-L132 HydrophobicContact CD2-CG 4.37Å; L124-L132 HydrophobicContact CG-CD1 4.41Å; L124-F151 HydrophobicContact CD2-CD1 3.94Å; L124-F151 HydrophobicContact CD2-CE1 4.49Å; L124-R153 WeakPolarHBondContact CB-O 3.21Å; L124-F154 HydrophobicContact CB-CB 4.09Å; L124-F154 HydrophobicContact CG-CB 4.48Å; L124-F154 CarbonylContact O-C 3.59Å; L124-F154 WeakPolarHBondContact O-CA 3.37Å; L124-C155 PolarHBondContact O-N 3.19Å
125V93.9Very high87.1Confident0 Ų030.8 Ų30.80%016%0.164CC..EExtended strand (participates in β ladder)trans-129.4124.5179.4-175.80000109.7L26 L27 G28 M29 C155 L157 V203 F218L26-V125 HydrophobicContact CB-CG2 4.32Å; L27-V125 PolarHBondContact O-N 2.9Å; G28-V125 WeakPolarHBondContact CA-O 3.36Å; M29-V125 PolarHBondContact N-O 3.08Å; V125-C155 WeakPolarHBondContact CA-O 3.34Å; V125-L157 HydrophobicContact CG1-CB 4.2Å; V125-L157 HydrophobicContact CG1-CD1 4.35Å; V125-V203 HydrophobicContact CB-CG2 4.26Å; V125-V203 HydrophobicContact CG1-CG2 3.77Å; V125-V203 HydrophobicContact CG2-CG1 4.43Å; V125-F218 HydrophobicContact CG1-CE1 3.88Å; V125-F218 HydrophobicContact CG2-CD1 4.03Å; V125-F218 HydrophobicContact CG2-CE1 3.88Å
126T93.3Very high87.6Confident0 Ų030.3 Ų30.30%016%0.162CC..EExtended strand (participates in β ladder)trans-122151.7-176.255.60000112.7M29 G128 P131 L132 F154 C155 L157M29-T126 HydrophobicContact CB-CG2 4.05Å; M29-T126 HydrophobicContact CG-CG2 4.45Å; M29-T126 HydrophobicContact SD-CG2 3.96Å; T126-G128 VanDerWaalsContact CB-O 3.3Å; T126-G128 WeakPolarHBondContact CB-O 3.38Å; T126-G128 PolarHBondContact O-N 2.97Å; T126-G128 PolarHBondContact OG1-O 3.18Å; T126-P131 HydrophobicContact CG2-CB 4.18Å; T126-L132 HydrophobicContact CG2-CD1 3.83Å; T126-L132 HydrophobicContact CG2-CG 4.12Å; T126-F154 WeakPolarHBondContact OG1-CD2 3.46Å; T126-C155 PolarHBondContact N-O 3.4Å; T126-L157 WeakPolarHBondContact O-CB 3.46Å; T126-L157 PolarHBondContact O-N 3.08Å
127V89.8Confident88.3Confident32 Ų3222 Ų2219%0.19413%0.125CC..SBendtrans-78.195.7169.3-175.30000108.5L157 Y158 L174 L199V127-L157 HydrophobicContact CG2-CD2 4.35Å; V127-Y158 HydrophobicContact CG1-CE1 4.38Å; V127-Y158 HydrophobicContact CG1-CE2 3.6Å; V127-Y158 VanDerWaalsContact CG1-OH 3.31Å; V127-Y158 WeakPolarHBondContact CG1-OH 3.29Å; V127-L174 HydrophobicContact CG2-CD1 4.39Å; V127-L199 HydrophobicContact CG2-CD1 3.48Å; V127-L199 VanDerWaalsContact CG2-CD1 3.48Å; V127-L199 HydrophobicContact CG2-CD2 4.11Å; V127-L199 HydrophobicContact CG2-CG 4.37Å
128G88Confident89.3Confident12 Ų1219.2 Ų19.212%0.12411%0.113CC..SBendtrans72.2174.8-169.700000113.1T126 D156T126-G128 VanDerWaalsContact CB-O 3.3Å; T126-G128 WeakPolarHBondContact CB-O 3.38Å; T126-G128 PolarHBondContact O-N 2.97Å; T126-G128 PolarHBondContact OG1-O 3.18Å; G128-D156 VanDerWaalsContact CA-OD1 3.26Å; G128-D156 WeakPolarHBondContact CA-OD1 3.31Å; G128-D156 WeakPolarHBondContact CA-OD2 3.23Å; G128-D156 PolarHBondContact N-OD1 3.45Å
129Q91Very high90.3Very high18 Ų1816.4 Ų16.48%0.0849%0.094CC..SBendtrans-81.5-19.4-179.7-63.31735300114.2P131 L132 R133 F154 D156 E295 L299Q129-P131 VanDerWaalsContact C-CD 3.49Å; Q129-L132 PolarHBondContact O-N 3.42Å; Q129-R133 HydrophobicContact CB-CB 4.41Å; Q129-R133 HydrophobicContact CB-CG 4.1Å; Q129-R133 VanDerWaalsContact O-CB 3.31Å; Q129-R133 WeakPolarHBondContact O-CB 3.4Å; Q129-R133 PolarHBondContact O-N 2.98Å; Q129-R133 VanDerWaalsContact OE1-CD 3.29Å; Q129-R133 VanDerWaalsContact OE1-NE 3.09Å; Q129-F154 HydrophobicContact CB-CE2 4.43Å; Q129-F154 HydrophobicContact CB-CZ 4.31Å; Q129-F154 HydrophobicContact CG-CE2 4Å; Q129-F154 HydrophobicContact CG-CZ 3.93Å; Q129-D156 HydrophobicContact CG-CB 4.46Å; Q129-E295 PolarHBondContact NE2-OE2 2.67Å; Q129-L299 HydrophobicContact CB-CD1 4.2Å
130A92.6Very high91.3Very high10 Ų1015.7 Ų15.78%0.0839%0.09CC..Hα-helixtrans-60.3-38.7-17000000115.8L41 L132 Q134 A135L41-A130 HydrophobicContact CB-CB 4.16Å; A130-L132 VanDerWaalsContact C-N 3.27Å; A130-L132 PolarHBondContact O-N 3.44Å; A130-Q134 HydrophobicContact CB-CB 4.44Å; A130-Q134 HydrophobicContact CB-CG 4.38Å; A130-Q134 WeakPolarHBondContact O-CA 3.34Å; A130-Q134 WeakPolarHBondContact O-CB 3.4Å; A130-Q134 PolarHBondContact O-N 3.32Å; A130-A135 PolarHBondContact O-N 3.2Å; A130-A135 VanDerWaalsContact O-N 3.14Å
131P93.8Very high92.3Very high11 Ų1111.3 Ų11.37%0.0717%0.069CC..Iπ-helixtrans-53.3-42179.1-3037.8000113.8I31 L41 T126 Q129 A135 L136I31-P131 HydrophobicContact CB-CB 4.28Å; I31-P131 HydrophobicContact CD1-CB 4.2Å; I31-P131 VanDerWaalsContact CD1-O 3.31Å; I31-P131 WeakPolarHBondContact CD1-O 3.25Å; L41-P131 HydrophobicContact CD2-CB 4.3Å; L41-P131 HydrophobicContact CD2-CG 3.99Å; T126-P131 HydrophobicContact CG2-CB 4.18Å; Q129-P131 VanDerWaalsContact C-CD 3.49Å; P131-A135 WeakPolarHBondContact O-CB 3.49Å; P131-L136 PolarHBondContact O-N 2.7Å
132L93.9Very high92.8Very high0 Ų014.1 Ų14.10%08%0.084CC..Iπ-helixtrans-88.5-58175.9-69.9164.8000111.3M29 L124 T126 Q129 A130 Q134 L136 H137 F151 F154M29-L132 HydrophobicContact CE-CD2 4.07Å; M29-L132 HydrophobicContact SD-CD2 3.87Å; M29-L132 HydrophobicContact SD-CG 4.12Å; L124-L132 HydrophobicContact CD2-CD1 3.74Å; L124-L132 HydrophobicContact CD2-CD2 3.9Å; L124-L132 HydrophobicContact CD2-CG 4.37Å; L124-L132 HydrophobicContact CG-CD1 4.41Å; T126-L132 HydrophobicContact CG2-CD1 3.83Å; T126-L132 HydrophobicContact CG2-CG 4.12Å; Q129-L132 PolarHBondContact O-N 3.42Å; A130-L132 VanDerWaalsContact C-N 3.27Å; A130-L132 PolarHBondContact O-N 3.44Å; L132-Q134 VanDerWaalsContact C-N 3.26Å; L132-Q134 PolarHBondContact O-N 2.91Å; L132-L136 HydrophobicContact CD2-CB 4.34Å; L132-L136 HydrophobicContact CD2-CD2 3.75Å; L132-H137 PolarHBondContact O-CD2 2.96Å; L132-H137 PolarHBondContact O-N 2.72Å; L132-H137 VanDerWaalsContact O-N 3.07Å; L132-F151 HydrophobicContact CD2-CD1 4.22Å; L132-F154 HydrophobicContact CD1-CB 3.49Å; L132-F154 VanDerWaalsContact CD1-CB 3.49Å; L132-F154 HydrophobicContact CD1-CD1 3.67Å; L132-F154 HydrophobicContact CD1-CD2 3.98Å; L132-F154 HydrophobicContact CD1-CE1 4.42Å; L132-F154 HydrophobicContact CD1-CG 3.42Å; L132-F154 VanDerWaalsContact CD1-CG 3.42Å
133R94.2Very high93Very high2 Ų216.6 Ų16.61%0.0089%0.094CC..Iπ-helixtrans-72.4-9.6-169-61-159.5-176.6-90.84.7114.4Q129 F154 E222 G265 L266 N267 H296 L299 R303Q129-R133 HydrophobicContact CB-CB 4.41Å; Q129-R133 HydrophobicContact CB-CG 4.1Å; Q129-R133 VanDerWaalsContact O-CB 3.31Å; Q129-R133 WeakPolarHBondContact O-CB 3.4Å; Q129-R133 PolarHBondContact O-N 2.98Å; Q129-R133 VanDerWaalsContact OE1-CD 3.29Å; Q129-R133 VanDerWaalsContact OE1-NE 3.09Å; R133-F154 HydrophobicContact CG-CE1 4.4Å; R133-F154 HydrophobicContact CG-CZ 4.27Å; R133-E222 IonicContact CZ-OE2 3.58Å; R133-E222 IonicContact NE-OE2 3.72Å; R133-E222 PolarHBondContact NE-OE2 3.43Å; R133-E222 IonicContact NH2-OE2 2.7Å; R133-E222 PolarHBondContact NH2-OE2 3.37Å; R133-G265 WeakPolarHBondContact CD-O 3.31Å; R133-G265 WeakPolarHBondContact CG-O 3.49Å; R133-G265 PolarHBondContact NH1-O 2.66Å; R133-L266 HydrophobicContact CB-CD2 4Å; R133-N267 PolarHBondContact NH1-OD1 3.41Å; R133-H296 VanDerWaalsContact CZ-NE2 3.26Å; R133-H296 PolarHBondContact NE-NE2 3.32Å; R133-H296 PolarHBondContact NH2-NE2 2.93Å; R133-L299 HydrophobicContact CB-CD1 4.15Å; R133-R303 PolarHBondContact O-NH2 3.24Å
134Q93.9Very high93Very high8 Ų819.9 Ų19.94%0.03713%0.128CC..Iπ-helixtrans-130.6-31.3178.2-61-73.957.100114.5L41 A130 L132 P138 L299 R303L41-Q134 VanDerWaalsContact O-CB 3.31Å; L41-Q134 WeakPolarHBondContact O-CB 3.48Å; A130-Q134 HydrophobicContact CB-CB 4.44Å; A130-Q134 HydrophobicContact CB-CG 4.38Å; A130-Q134 WeakPolarHBondContact O-CA 3.34Å; A130-Q134 WeakPolarHBondContact O-CB 3.4Å; A130-Q134 PolarHBondContact O-N 3.32Å; L132-Q134 VanDerWaalsContact C-N 3.26Å; L132-Q134 PolarHBondContact O-N 2.91Å; Q134-P138 WeakPolarHBondContact O-CG 3.33Å; Q134-L299 HydrophobicContact CG-CD2 3.94Å; Q134-L299 PolarHBondContact NE2-O 2.87Å; Q134-R303 VanDerWaalsContact OE1-NH2 3.09Å
135A94.7Very high93Very high5 Ų520.9 Ų20.94%0.04113%0.134CC..Iπ-helixtrans-95.9-66.8176.100000112.4I31 T33 L41 I48 A130 P131 P138 E139I31-A135 HydrophobicContact CG2-CB 4.03Å; T33-A135 HydrophobicContact CG2-CB 4.13Å; L41-A135 HydrophobicContact CG-CB 4.46Å; I48-A135 HydrophobicContact CD1-CB 4.18Å; I48-A135 HydrophobicContact CG1-CB 4.12Å; A130-A135 PolarHBondContact O-N 3.2Å; A130-A135 VanDerWaalsContact O-N 3.14Å; P131-A135 WeakPolarHBondContact O-CB 3.49Å; A135-P138 WeakPolarHBondContact O-CD 3.3Å; A135-E139 WeakPolarHBondContact O-CB 3.33Å; A135-E139 PolarHBondContact O-N 2.93Å; A135-E139 VanDerWaalsContact O-N 3.14Å
136L95.6Very high92.9Very high0 Ų032.4 Ų32.40%018%0.177CC..Iπ-helixtrans-65.1-51.3-169-171.271.7000113.6M29 I31 I48 L100 L104 P131 L132 A140 L147 F151M29-L136 HydrophobicContact CE-CD2 4.02Å; I31-L136 HydrophobicContact CD1-CB 4.09Å; I48-L136 HydrophobicContact CD1-CB 4.39Å; I48-L136 HydrophobicContact CD1-CD1 4Å; L100-L136 HydrophobicContact CD1-CD1 4.35Å; L100-L136 HydrophobicContact CD2-CD1 4.32Å; L104-L136 HydrophobicContact CD1-CD1 4.33Å; L104-L136 HydrophobicContact CD2-CD1 4.36Å; P131-L136 PolarHBondContact O-N 2.7Å; L132-L136 HydrophobicContact CD2-CB 4.34Å; L132-L136 HydrophobicContact CD2-CD2 3.75Å; L136-A140 WeakPolarHBondContact O-CB 3.49Å; L136-A140 PolarHBondContact O-N 3.28Å; L136-L147 HydrophobicContact CD1-CD2 4.37Å; L136-L147 HydrophobicContact CD2-CD1 4.18Å; L136-L147 HydrophobicContact CD2-CD2 4.11Å; L136-L147 HydrophobicContact CG-CD1 4.2Å; L136-L147 HydrophobicContact CG-CD2 4.19Å; L136-F151 HydrophobicContact CD2-CB 4.16Å; L136-F151 HydrophobicContact CD2-CD1 3.37Å; L136-F151 HydrophobicContact CD2-CE1 3.91Å; L136-F151 HydrophobicContact CD2-CG 3.79Å
137H95.7Very high92.8Very high2 Ų233.3 Ų33.31%0.00918%0.182CC..Hα-helixtrans-63.8-46.8-175.8-67.9-66.6000112.6L132 C141 L147 F151 W152 I264L132-H137 PolarHBondContact O-CD2 2.96Å; L132-H137 PolarHBondContact O-N 2.72Å; L132-H137 VanDerWaalsContact O-N 3.07Å; H137-C141 WeakPolarHBondContact O-CB 3.44Å; H137-C141 PolarHBondContact O-N 3.39Å; H137-L147 WeakPolarHBondContact ND1-CD1 3.44Å; H137-F151 PolarHBondContact CE1-O 3.35Å; H137-F151 PolarHBondContact NE2-O 3.45Å; H137-W152 AromaticContact CE1-CE3 3.66Å; H137-W152 AromaticContact CE1-CZ3 3.74Å; H137-W152 AromaticContact ND1-CH2 3.85Å; H137-W152 AromaticContact ND1-CZ3 3.67Å; H137-I264 HydrophobicContact CB-CG1 4.34Å; H137-I264 HydrophobicContact CB-CG2 4.29Å
138P94.4Very high92.8Very high19 Ų1934.6 Ų34.612%0.12319%0.188CC..Hα-helixtrans-64.3-43.9177.7-26.439.6000113.3Q134 A135 C141 N142 I264Q134-P138 WeakPolarHBondContact O-CG 3.33Å; A135-P138 WeakPolarHBondContact O-CD 3.3Å; P138-C141 PolarHBondContact O-N 3.43Å; P138-N142 WeakPolarHBondContact O-CB 3.26Å; P138-N142 VanDerWaalsContact O-CG 3.27Å; P138-N142 PolarHBondContact O-N 2.84Å; P138-I264 HydrophobicContact CG-CG2 4.46Å
139E94.5Very high92.8Very high15 Ų1536 Ų367%0.0720%0.202CC..Hα-helixtrans-66.4-46.3179.8-173.6-175.7145.500111.9E47 I48 L100 A135 C141 N142 K143E47-E139 WeakPolarHBondContact CA-OE2 3.18Å; I48-E139 WeakPolarHBondContact CB-OE2 3.36Å; I48-E139 VanDerWaalsContact CG1-OE2 3.29Å; I48-E139 WeakPolarHBondContact CG1-OE2 3.48Å; I48-E139 PolarHBondContact N-OE2 2.97Å; L100-E139 HydrophobicContact CD2-CB 4.48Å; L100-E139 HydrophobicContact CD2-CG 4.04Å; L100-E139 WeakPolarHBondContact CD2-OE1 3.33Å; A135-E139 WeakPolarHBondContact O-CB 3.33Å; A135-E139 PolarHBondContact O-N 2.93Å; A135-E139 VanDerWaalsContact O-N 3.14Å; E139-C141 PolarHBondContact O-N 3.03Å; E139-N142 PolarHBondContact O-N 2.93Å; E139-K143 HydrophobicContact CG-CD 3.86Å; E139-K143 HydrophobicContact CG-CG 4.38Å; E139-K143 WeakPolarHBondContact O-CB 3.32Å; E139-K143 WeakPolarHBondContact O-CG 3.1Å; E139-K143 PolarHBondContact O-N 2.93Å; E139-K143 WeakPolarHBondContact OE1-CE 3.33Å; E139-K143 IonicContact OE1-NZ 2.81Å; E139-K143 PolarHBondContact OE1-NZ 3.17Å
140A94.5Very high92.8Very high1 Ų135.5 Ų35.51%0.00820%0.2CC..Hα-helixtrans-58.5-41.5177.100000110.9L136 K143 G144 I145 L147L136-A140 WeakPolarHBondContact O-CB 3.49Å; L136-A140 PolarHBondContact O-N 3.28Å; A140-K143 CarbonylContact O-C 3.47Å; A140-K143 PolarHBondContact O-N 3.46Å; A140-G144 PolarHBondContact O-N 3.01Å; A140-G144 VanDerWaalsContact O-N 3.08Å; A140-I145 HydrophobicContact CB-CB 4.14Å; A140-I145 PolarHBondContact O-N 3.43Å; A140-L147 HydrophobicContact CB-CD1 3.87Å; A140-L147 HydrophobicContact CB-CD2 3.76Å; A140-L147 HydrophobicContact CB-CG 3.75Å
141C92.5Very high92.8Very high33 Ų3335.1 Ų35.122%0.22320%0.196CC..Hα-helixtrans-68.8-44.1179.1-1550000112.8H137 P138 E139 K143 G144 Q261 I264H137-C141 WeakPolarHBondContact O-CB 3.44Å; H137-C141 PolarHBondContact O-N 3.39Å; P138-C141 PolarHBondContact O-N 3.43Å; E139-C141 PolarHBondContact O-N 3.03Å; C141-K143 PolarHBondContact O-N 3.27Å; C141-G144 PolarHBondContact O-N 3.27Å; C141-G144 VanDerWaalsContact O-N 3.11Å; C141-Q261 WeakPolarHBondContact SG-CG 3.48Å; C141-Q261 PolarHBondContact SG-NE2 3.36Å; C141-Q261 VanDerWaalsContact SG-NE2 3.44Å; C141-I264 HydrophobicContact CB-CG2 3.78Å
142N91Very high92.7Very high117 Ų11737.3 Ų37.363%0.62620%0.203SC*.Hα-helixtrans-62.9-29.6175.1-74.3-12.2000112.6P138 E139P138-N142 WeakPolarHBondContact O-CB 3.26Å; P138-N142 VanDerWaalsContact O-CG 3.27Å; P138-N142 PolarHBondContact O-N 2.84Å; E139-N142 PolarHBondContact O-N 2.93Å
143K91.2Very high92.6Very high63 Ų6342.9 Ų42.927%0.27422%0.224SC..THydrogen-bonded Turntrans-90.92.4175.9-66.1-177.6-179.7-179.20114.1E47 S74 E139 A140 C141 I145E47-K143 IonicContact OE1-NZ 3.23Å; E47-K143 WeakPolarHBondContact OE2-CE 3.47Å; E47-K143 IonicContact OE2-NZ 2.78Å; E47-K143 PolarHBondContact OE2-NZ 2.85Å; S74-K143 WeakPolarHBondContact OG-CE 3.37Å; E139-K143 HydrophobicContact CG-CD 3.86Å; E139-K143 HydrophobicContact CG-CG 4.38Å; E139-K143 WeakPolarHBondContact O-CB 3.32Å; E139-K143 WeakPolarHBondContact O-CG 3.1Å; E139-K143 PolarHBondContact O-N 2.93Å; E139-K143 WeakPolarHBondContact OE1-CE 3.33Å; E139-K143 IonicContact OE1-NZ 2.81Å; E139-K143 PolarHBondContact OE1-NZ 3.17Å; A140-K143 CarbonylContact O-C 3.47Å; A140-K143 PolarHBondContact O-N 3.46Å; C141-K143 PolarHBondContact O-N 3.27Å; K143-I145 HydrophobicContact CB-CD1 3.71Å; K143-I145 HydrophobicContact CB-CG1 3.86Å; K143-I145 HydrophobicContact CD-CD1 4.25Å; K143-I145 PolarHBondContact O-N 3.32Å
144G91.1Very high92.6Very high70 Ų7042.8 Ų42.872%0.72222%0.224SC*.THydrogen-bonded Turntrans66.920.5-178.800000114.8A140 C141A140-G144 PolarHBondContact O-N 3.01Å; A140-G144 VanDerWaalsContact O-N 3.08Å; C141-G144 PolarHBondContact O-N 3.27Å; C141-G144 VanDerWaalsContact O-N 3.11Å
145I93.3Very high92.5Very high21 Ų2142.5 Ų42.511%0.10822%0.223CC..  trans-84.1117.2-176.3-59.3169.9000109.6L100 Q101 A140 K143 L147L100-I145 HydrophobicContact CB-CD1 4.02Å; L100-I145 HydrophobicContact CD2-CD1 4Å; L100-I145 HydrophobicContact CG-CD1 4.11Å; Q101-I145 HydrophobicContact CB-CD1 3.92Å; Q101-I145 HydrophobicContact CB-CG1 4.1Å; Q101-I145 HydrophobicContact CB-CG2 4.28Å; Q101-I145 HydrophobicContact CG-CG2 4.18Å; A140-I145 HydrophobicContact CB-CB 4.14Å; A140-I145 PolarHBondContact O-N 3.43Å; K143-I145 HydrophobicContact CB-CD1 3.71Å; K143-I145 HydrophobicContact CB-CG1 3.86Å; K143-I145 HydrophobicContact CD-CD1 4.25Å; K143-I145 PolarHBondContact O-N 3.32Å; I145-L147 PolarHBondContact O-N 3.42Å
146R91.4Very high92.4Very high241 Ų24142.9 Ų42.991%0.90922%0.224SC*.  trans-71.1112.2168.1-177175.9178.8168.70.4109.6
147L92.3Very high92.1Very high19 Ų1943 Ų4310%0.09922%0.224CC..  trans-75.5147173.6-66.6175.1000111.5L104 L136 H137 A140 I145 F151 W152L104-L147 HydrophobicContact CD1-CD2 3.89Å; L136-L147 HydrophobicContact CD1-CD2 4.37Å; L136-L147 HydrophobicContact CD2-CD1 4.18Å; L136-L147 HydrophobicContact CD2-CD2 4.11Å; L136-L147 HydrophobicContact CG-CD1 4.2Å; L136-L147 HydrophobicContact CG-CD2 4.19Å; H137-L147 WeakPolarHBondContact ND1-CD1 3.44Å; A140-L147 HydrophobicContact CB-CD1 3.87Å; A140-L147 HydrophobicContact CB-CD2 3.76Å; A140-L147 HydrophobicContact CB-CG 3.75Å; I145-L147 PolarHBondContact O-N 3.42Å; L147-F151 HydrophobicContact CB-CB 4.26Å; L147-F151 HydrophobicContact CB-CD2 4.2Å; L147-F151 HydrophobicContact CD1-CB 4.27Å; L147-F151 HydrophobicContact CD2-CD2 4.2Å; L147-F151 HydrophobicContact CD2-CG 4.5Å; L147-W152 HydrophobicContact CB-CZ2 4.13Å; L147-W152 HydrophobicContact CD1-CZ2 4.4Å
148D90.3Very high91.6Very high60 Ų6045.3 Ų45.332%0.32123%0.234SC..  trans-65.8160.1172.6-172.2-97.9000112.7L108 L150 F151 W152L108-D148 HydrophobicContact CD1-CB 3.89Å; D148-L150 PolarHBondContact O-N 2.96Å; D148-L150 WeakPolarHBondContact OD1-CB 3.44Å; D148-L150 PolarHBondContact OD1-N 3.06Å; D148-F151 HydrophobicContact CB-CD2 4Å; D148-F151 HydrophobicContact CB-CE2 4.08Å; D148-F151 PolarHBondContact O-N 3.1Å; D148-W152 PolarHBondContact O-NE1 3.38Å
149G87.9Confident91.2Very high41 Ų4147.2 Ų47.242%0.42324%0.24SC..G310 helixtrans-51.5-37.9176.300000113.7F151 W152G149-F151 PolarHBondContact O-N 2.96Å; G149-F151 VanDerWaalsContact O-N 3.14Å; G149-W152 PolarHBondContact O-N 3.25Å; G149-W152 VanDerWaalsContact O-N 3.13Å
150L90.1Very high90.8Very high8 Ų847.4 Ų47.44%0.04224%0.241CC..G310 helixtrans-52.7-34.3178.9-179.359.1000114L27 L108 N119 L122 D148 W152L27-L150 HydrophobicContact CD2-CD2 3.9Å; L108-L150 HydrophobicContact CD2-CD2 3.91Å; N119-L150 HydrophobicContact CB-CB 4.4Å; L122-L150 HydrophobicContact CB-CD1 3.94Å; D148-L150 PolarHBondContact O-N 2.96Å; D148-L150 WeakPolarHBondContact OD1-CB 3.44Å; D148-L150 PolarHBondContact OD1-N 3.06Å; L150-W152 VanDerWaalsContact C-N 3.29Å; L150-W152 PolarHBondContact O-N 3.13Å
151F92.8Very high90.2Very high1 Ų147.9 Ų47.90%0.00424%0.243CC..G310 helixtrans-81.2-4.6-175-62.2-69.7000114.3M29 F53 L104 L108 L124 L132 L136 H137 L147 D148 G149M29-F151 HydrophobicContact CE-CD1 4.36Å; M29-F151 HydrophobicContact CE-CE1 4.11Å; F53-F151 HydrophobicContact CE1-CE1 4.08Å; F53-F151 AromaticContact CZ-CE1 3.8Å; F53-F151 HydrophobicContact CZ-CE1 3.8Å; F53-F151 AromaticContact CZ-CZ 3.96Å; F53-F151 HydrophobicContact CZ-CZ 3.96Å; L104-F151 HydrophobicContact CD2-CE1 4.34Å; L104-F151 HydrophobicContact CD2-CE2 4.26Å; L104-F151 HydrophobicContact CD2-CZ 3.76Å; L108-F151 HydrophobicContact CD1-CE2 4.29Å; L108-F151 HydrophobicContact CD2-CE2 4.11Å; L108-F151 HydrophobicContact CD2-CZ 4.23Å; L124-F151 HydrophobicContact CD2-CD1 3.94Å; L124-F151 HydrophobicContact CD2-CE1 4.49Å; L132-F151 HydrophobicContact CD2-CD1 4.22Å; L136-F151 HydrophobicContact CD2-CB 4.16Å; L136-F151 HydrophobicContact CD2-CD1 3.37Å; L136-F151 HydrophobicContact CD2-CE1 3.91Å; L136-F151 HydrophobicContact CD2-CG 3.79Å; H137-F151 PolarHBondContact CE1-O 3.35Å; H137-F151 PolarHBondContact NE2-O 3.45Å; L147-F151 HydrophobicContact CB-CB 4.26Å; L147-F151 HydrophobicContact CB-CD2 4.2Å; L147-F151 HydrophobicContact CD1-CB 4.27Å; L147-F151 HydrophobicContact CD2-CD2 4.2Å; L147-F151 HydrophobicContact CD2-CG 4.5Å; D148-F151 HydrophobicContact CB-CD2 4Å; D148-F151 HydrophobicContact CB-CE2 4.08Å; D148-F151 PolarHBondContact O-N 3.1Å; G149-F151 PolarHBondContact O-N 2.96Å; G149-F151 VanDerWaalsContact O-N 3.14Å
152W92.1Very high89.7Confident58 Ų5852.8 Ų52.822%0.2226%0.261CS..G310 helixtrans-98.51.5-177.8-55.794.2000113.6H137 L147 D148 G149 L150 S223 V224 A226 I264H137-W152 AromaticContact CE1-CE3 3.66Å; H137-W152 AromaticContact CE1-CZ3 3.74Å; H137-W152 AromaticContact ND1-CH2 3.85Å; H137-W152 AromaticContact ND1-CZ3 3.67Å; L147-W152 HydrophobicContact CB-CZ2 4.13Å; L147-W152 HydrophobicContact CD1-CZ2 4.4Å; D148-W152 PolarHBondContact O-NE1 3.38Å; G149-W152 PolarHBondContact O-N 3.25Å; G149-W152 VanDerWaalsContact O-N 3.13Å; L150-W152 VanDerWaalsContact C-N 3.29Å; L150-W152 PolarHBondContact O-N 3.13Å; W152-S223 CarbonylContact O-C 3.54Å; W152-S223 WeakPolarHBondContact O-CA 3.21Å; W152-V224 HydrophobicContact CE3-CB 3.98Å; W152-V224 HydrophobicContact CE3-CG1 3.84Å; W152-V224 HydrophobicContact CZ3-CG1 4.04Å; W152-V224 PolarHBondContact O-N 2.92Å; W152-A226 HydrophobicContact CD2-CB 4.2Å; W152-A226 HydrophobicContact CE3-CB 3.76Å; W152-A226 HydrophobicContact CH2-CB 3.67Å; W152-A226 HydrophobicContact CZ2-CB 4.1Å; W152-A226 HydrophobicContact CZ3-CB 3.49Å; W152-A226 VanDerWaalsContact CZ3-CB 3.49Å; W152-I264 HydrophobicContact CH2-CD1 4.31Å; W152-I264 HydrophobicContact CZ3-CD1 4.22Å
153R91.9Very high89Confident116 Ų11652.7 Ų52.744%0.43826%0.26SS..EExtended strand (participates in β ladder)trans-139.1127.4178.1-58.9179.774-164.22.2110.4L124 E222L124-R153 WeakPolarHBondContact CB-O 3.21Å; R153-E222 WeakPolarHBondContact CA-O 3.25Å
154F93.9Very high88.2Confident0 Ų050 Ų500%025%0.249CC..EExtended strand (participates in β ladder)trans-152.8163.4-179.374.8-77.6000113.3L124 T126 Q129 L132 R133 D156 P221 E222 V224L124-F154 HydrophobicContact CB-CB 4.09Å; L124-F154 HydrophobicContact CG-CB 4.48Å; L124-F154 CarbonylContact O-C 3.59Å; L124-F154 WeakPolarHBondContact O-CA 3.37Å; T126-F154 WeakPolarHBondContact OG1-CD2 3.46Å; Q129-F154 HydrophobicContact CB-CE2 4.43Å; Q129-F154 HydrophobicContact CB-CZ 4.31Å; Q129-F154 HydrophobicContact CG-CE2 4Å; Q129-F154 HydrophobicContact CG-CZ 3.93Å; L132-F154 HydrophobicContact CD1-CB 3.49Å; L132-F154 VanDerWaalsContact CD1-CB 3.49Å; L132-F154 HydrophobicContact CD1-CD1 3.67Å; L132-F154 HydrophobicContact CD1-CD2 3.98Å; L132-F154 HydrophobicContact CD1-CE1 4.42Å; L132-F154 HydrophobicContact CD1-CG 3.42Å; L132-F154 VanDerWaalsContact CD1-CG 3.42Å; R133-F154 HydrophobicContact CG-CE1 4.4Å; R133-F154 HydrophobicContact CG-CZ 4.27Å; F154-D156 HydrophobicContact CE2-CB 4.4Å; F154-P221 CarbonylContact O-C 3.56Å; F154-P221 WeakPolarHBondContact O-CA 3.06Å; F154-E222 HydrophobicContact CD1-CB 4.16Å; F154-E222 HydrophobicContact CE1-CB 3.75Å; F154-E222 HydrophobicContact CE2-CB 4.48Å; F154-E222 HydrophobicContact CZ-CB 3.92Å; F154-E222 HydrophobicContact CZ-CG 4.46Å; F154-E222 WeakPolarHBondContact CZ-OE2 3.38Å; F154-E222 PolarHBondContact N-O 3.31Å; F154-E222 WeakPolarHBondContact O-CB 3.41Å; F154-E222 PolarHBondContact O-N 3.19Å; F154-V224 HydrophobicContact CD1-CG2 4.12Å; F154-V224 HydrophobicContact CE1-CG2 3.85Å
155C92.2Very high87Confident3 Ų347.9 Ų47.92%0.0223%0.225CC..EExtended strand (participates in β ladder)trans-111.1134.4165.6-76.50000111.3L124 V125 T126 L157 E160 F218L124-C155 PolarHBondContact O-N 3.19Å; V125-C155 WeakPolarHBondContact CA-O 3.34Å; T126-C155 PolarHBondContact N-O 3.4Å; C155-L157 PolarHBondContact O-N 3.14Å; C155-E160 HydrophobicContact CB-CG 4.04Å; C155-E160 PolarHBondContact SG-OE1 3.01Å; C155-F218 HydrophobicContact CB-CD1 3.79Å; C155-F218 HydrophobicContact CB-CE1 4.4Å
156D91.1Very high85.3Confident13 Ų1354.2 Ų54.27%0.0726%0.259CS..EExtended strand (participates in β ladder)trans-79.5114.4168.4-175.4-21.2000109.5G128 Q129 F154 Y158 K159 E160G128-D156 VanDerWaalsContact CA-OD1 3.26Å; G128-D156 WeakPolarHBondContact CA-OD1 3.31Å; G128-D156 WeakPolarHBondContact CA-OD2 3.23Å; G128-D156 PolarHBondContact N-OD1 3.45Å; Q129-D156 HydrophobicContact CG-CB 4.46Å; F154-D156 HydrophobicContact CE2-CB 4.4Å; D156-Y158 PolarHBondContact O-N 3.18Å; D156-Y158 VanDerWaalsContact O-N 3.16Å; D156-Y158 WeakPolarHBondContact OD1-CB 3.34Å; D156-Y158 PolarHBondContact OD1-N 3.08Å; D156-K159 HydrophobicContact CB-CB 4.29Å; D156-K159 HydrophobicContact CB-CD 3.99Å; D156-K159 HydrophobicContact CB-CG 3.96Å; D156-K159 WeakPolarHBondContact O-CB 3.37Å; D156-K159 PolarHBondContact O-N 3.44Å; D156-E160 PolarHBondContact O-N 2.91Å; D156-E160 VanDerWaalsContact O-N 3.15Å
157L89.6Confident83.5Confident1 Ų147.2 Ų47.21%0.00524%0.24CC..Hα-helixtrans-56.4-31.5-177.7-176.759.4000113V125 T126 V127 C155 L161 L177 L199 V202 V203 L206V125-L157 HydrophobicContact CG1-CB 4.2Å; V125-L157 HydrophobicContact CG1-CD1 4.35Å; T126-L157 WeakPolarHBondContact O-CB 3.46Å; T126-L157 PolarHBondContact O-N 3.08Å; V127-L157 HydrophobicContact CG2-CD2 4.35Å; C155-L157 PolarHBondContact O-N 3.14Å; L157-L161 VanDerWaalsContact O-CB 3.26Å; L157-L161 WeakPolarHBondContact O-CB 3.38Å; L157-L161 PolarHBondContact O-N 3.27Å; L157-L177 HydrophobicContact CD2-CD1 3.74Å; L157-L177 HydrophobicContact CG-CD1 4.19Å; L157-L199 HydrophobicContact CD2-CD1 3.64Å; L157-V202 HydrophobicContact CD2-CG1 3.96Å; L157-V203 HydrophobicContact CD1-CG2 4.17Å; L157-V203 HydrophobicContact CD2-CG2 4.32Å; L157-L206 HydrophobicContact CD1-CD2 3.53Å
158Y85.7Confident81.6Confident52 Ų5253.7 Ų53.720%0.20428%0.275CS..Hα-helixtrans-72-29.8177.9-65-54.2000112.5V127 D156 K162 S171 S172 S173 L177V127-Y158 HydrophobicContact CG1-CE1 4.38Å; V127-Y158 HydrophobicContact CG1-CE2 3.6Å; V127-Y158 VanDerWaalsContact CG1-OH 3.31Å; V127-Y158 WeakPolarHBondContact CG1-OH 3.29Å; D156-Y158 PolarHBondContact O-N 3.18Å; D156-Y158 VanDerWaalsContact O-N 3.16Å; D156-Y158 WeakPolarHBondContact OD1-CB 3.34Å; D156-Y158 PolarHBondContact OD1-N 3.08Å; Y158-K162 WeakPolarHBondContact O-CB 3.35Å; Y158-K162 PolarHBondContact O-N 3.38Å; Y158-K162 VanDerWaalsContact O-N 3.11Å; Y158-S171 WeakPolarHBondContact CE1-O 3.33Å; Y158-S172 VanDerWaalsContact OH-C 3.27Å; Y158-S172 PolarHBondContact OH-O 3.3Å; Y158-S172 VanDerWaalsContact OH-O 3.07Å; Y158-S173 PolarHBondContact OH-N 3.32Å; Y158-L177 HydrophobicContact CD1-CD1 4.34Å; Y158-L177 HydrophobicContact CD1-CD2 4.41Å; Y158-L177 HydrophobicContact CE1-CD1 3.9Å; Y158-L177 HydrophobicContact CE1-CD2 4.22Å; Y158-L177 HydrophobicContact CE1-CG 4.24Å
159K85.8Confident79.8Confident59 Ų5958 Ų5826%0.25729%0.293SS..Hα-helixtrans-74.4-46.3175.4-63.3-175.4-178.1179.30111D156 L161 K162 N163 E222 E295D156-K159 HydrophobicContact CB-CB 4.29Å; D156-K159 HydrophobicContact CB-CD 3.99Å; D156-K159 HydrophobicContact CB-CG 3.96Å; D156-K159 WeakPolarHBondContact O-CB 3.37Å; D156-K159 PolarHBondContact O-N 3.44Å; K159-L161 VanDerWaalsContact C-N 3.33Å; K159-L161 PolarHBondContact O-N 3.49Å; K159-K162 PolarHBondContact O-N 2.77Å; K159-N163 VanDerWaalsContact O-CG 3.24Å; K159-N163 PolarHBondContact O-N 3.49Å; K159-E222 WeakPolarHBondContact CE-OE1 3.38Å; K159-E222 IonicContact NZ-OE1 2.71Å; K159-E222 PolarHBondContact NZ-OE1 3.44Å; K159-E295 WeakPolarHBondContact CE-OE2 3.13Å; K159-E295 IonicContact NZ-OE1 2.72Å; K159-E295 IonicContact NZ-OE2 3.87Å; K159-E295 PolarHBondContact NZ-OE2 3.17Å
160E86.1Confident77.9Confident19 Ų1961.9 Ų61.99%0.08931%0.312CS..Hα-helixtrans-59.3-42.8175.4-65.8-70.8170.400111.8C155 D156 N163 T164 L206 C217 F218C155-E160 HydrophobicContact CB-CG 4.04Å; C155-E160 PolarHBondContact SG-OE1 3.01Å; D156-E160 PolarHBondContact O-N 2.91Å; D156-E160 VanDerWaalsContact O-N 3.15Å; E160-N163 PolarHBondContact O-N 2.95Å; E160-T164 WeakPolarHBondContact O-CB 3.23Å; E160-T164 PolarHBondContact O-N 2.98Å; E160-T164 PolarHBondContact O-OG1 2.9Å; E160-L206 HydrophobicContact CB-CD2 4.06Å; E160-C217 WeakPolarHBondContact OE2-CA 3.38Å; E160-F218 HydrophobicContact CB-CE1 4.15Å; E160-F218 VanDerWaalsContact CD-N 3.26Å; E160-F218 HydrophobicContact CG-CD1 3.73Å; E160-F218 HydrophobicContact CG-CE1 3.75Å; E160-F218 VanDerWaalsContact OE1-CA 3.31Å; E160-F218 WeakPolarHBondContact OE1-CA 3.32Å; E160-F218 PolarHBondContact OE1-N 2.89Å; E160-F218 PolarHBondContact OE2-N 3.22Å
161L83.1Confident76.4Confident10 Ų1062.3 Ų62.35%0.05232%0.316CS..Hα-helixtrans-60.2-49.9173.6-176.777.2000111.8L157 K159 N163 T164 A165 L177 M180 Y181L157-L161 VanDerWaalsContact O-CB 3.26Å; L157-L161 WeakPolarHBondContact O-CB 3.38Å; L157-L161 PolarHBondContact O-N 3.27Å; K159-L161 VanDerWaalsContact C-N 3.33Å; K159-L161 PolarHBondContact O-N 3.49Å; L161-N163 VanDerWaalsContact C-N 3.29Å; L161-N163 PolarHBondContact O-N 3.21Å; L161-T164 PolarHBondContact O-N 2.88Å; L161-T164 VanDerWaalsContact O-N 3.15Å; L161-A165 WeakPolarHBondContact O-CB 3.33Å; L161-A165 PolarHBondContact O-N 3.17Å; L161-L177 HydrophobicContact CD2-CD2 3.43Å; L161-L177 VanDerWaalsContact CD2-CD2 3.43Å; L161-M180 HydrophobicContact CD1-SD 4.02Å; L161-M180 HydrophobicContact CD2-CE 4.2Å; L161-M180 HydrophobicContact CD2-SD 4.31Å; L161-Y181 HydrophobicContact CD1-CE2 3.89Å; L161-Y181 VanDerWaalsContact CD1-OH 3.32Å; L161-Y181 WeakPolarHBondContact CD1-OH 3.31Å
162K80.4Confident75.1Confident136 Ų13666.5 Ų66.559%0.59135%0.345SS*.Hα-helixtrans-58.9-41.5-179.4-175.4-179.9178.6-176.50111.8Y158 K159 N166Y158-K162 WeakPolarHBondContact O-CB 3.35Å; Y158-K162 PolarHBondContact O-N 3.38Å; Y158-K162 VanDerWaalsContact O-N 3.11Å; K159-K162 PolarHBondContact O-N 2.77Å; K162-N166 PolarHBondContact O-N 2.97Å
163N77.9Confident74.2Confident115 Ų11565.8 Ų65.862%0.61535%0.349SS*.Hα-helixtrans-66.4-40.8175.7-67.2-10.5000112.1K159 E160 L161K159-N163 VanDerWaalsContact O-CG 3.24Å; K159-N163 PolarHBondContact O-N 3.49Å; E160-N163 PolarHBondContact O-N 2.95Å; L161-N163 VanDerWaalsContact C-N 3.29Å; L161-N163 PolarHBondContact O-N 3.21Å
164T72.4Confident73.6Confident6 Ų661.6 Ų61.64%0.03734%0.335CS..Hα-helixtrans-80-30.4-175.4-54.40000113.4E160 L161 L206 S210 R213 I215E160-T164 WeakPolarHBondContact O-CB 3.23Å; E160-T164 PolarHBondContact O-N 2.98Å; E160-T164 PolarHBondContact O-OG1 2.9Å; L161-T164 PolarHBondContact O-N 2.88Å; L161-T164 VanDerWaalsContact O-N 3.15Å; T164-L206 HydrophobicContact CG2-CD1 3.78Å; T164-S210 WeakPolarHBondContact CG2-OG 3.41Å; T164-R213 PolarHBondContact O-NH1 2.83Å; T164-I215 HydrophobicContact CG2-CD1 4.4Å
165A66.4Low73Confident27 Ų2767.5 Ų67.522%0.22336%0.364CS..Hα-helixtrans-93.1-20.2-170.900000114.7L161 N167L161-A165 WeakPolarHBondContact O-CB 3.33Å; L161-A165 PolarHBondContact O-N 3.17Å; A165-N167 HydrophobicContact CB-CB 4.2Å; A165-N167 PolarHBondContact O-N 2.77Å
166N58.2Low72.4Confident153 Ų15370.2 Ų70.282%0.81838%0.378SS*.  trans549-167.3-84.6-29.6000115K162K162-N166 PolarHBondContact O-N 2.97Å
167N54.2Low71.9Confident94 Ų9469.6 Ų69.650%0.50338%0.375SS..  trans-92.3126.8-177.5-87-27000110.9A165 Q169A165-N167 HydrophobicContact CB-CB 4.2Å; A165-N167 PolarHBondContact O-N 2.77Å; N167-Q169 PolarHBondContact O-N 3.44Å; N167-Q169 VanDerWaalsContact O-N 3.13Å
168N51Low71.6Confident156 Ų15670 Ų7083%0.83438%0.377SS*.  trans-75.111.6171.5-74.6-40000113.7C170N168-C170 PolarHBondContact O-N 3.46Å
169Q52.6Low71.5Confident150 Ų15072.9 Ų72.970%0.70140%0.396SS*.  trans-85104.8174.8-70.9-174.3-9.200109.4N167 S171N167-Q169 PolarHBondContact O-N 3.44Å; N167-Q169 VanDerWaalsContact O-N 3.13Å; Q169-S171 PolarHBondContact O-N 2.96Å
170C49.5Very low71.1Confident122 Ų12273.6 Ų73.682%0.82440%0.401SS*.  trans-82.493.9178.4-159.40000109.3N168 S172N168-C170 PolarHBondContact O-N 3.46Å; C170-S172 PolarHBondContact O-N 2.84Å
171S58.6Low70.9Confident18 Ų1873.5 Ų73.513%0.12640%0.4CS..  trans-58132.2168.6-69.60000110.1Y158 Q169 M180Y158-S171 WeakPolarHBondContact CE1-O 3.33Å; Q169-S171 PolarHBondContact O-N 2.96Å; S171-M180 WeakPolarHBondContact OG-CE 3.33Å
172S63.5Low70.7Confident88 Ų8881.6 Ų81.662%0.61544%0.438SS*.  trans-104-15.9-173.854.90000113.8Y158 C170 D176Y158-S172 VanDerWaalsContact OH-C 3.27Å; Y158-S172 PolarHBondContact OH-O 3.3Å; Y158-S172 VanDerWaalsContact OH-O 3.07Å; C170-S172 PolarHBondContact O-N 2.84Å; S172-D176 PolarHBondContact N-OD2 2.64Å
173S74.5Confident70.8Confident43 Ų4377 Ų7730%0.30142%0.419SS..SBendtrans-130159.1177.176.10000113Y158 M175 D176 L177Y158-S173 PolarHBondContact OH-N 3.32Å; S173-M175 PolarHBondContact O-N 3.41Å; S173-M175 PolarHBondContact OG-N 3.26Å; S173-D176 WeakPolarHBondContact CB-OD2 3.16Å; S173-D176 PolarHBondContact N-OD2 3.06Å; S173-D176 WeakPolarHBondContact O-CB 3.5Å; S173-D176 PolarHBondContact O-N 3.17Å; S173-D176 VanDerWaalsContact O-N 3.17Å; S173-D176 PolarHBondContact OG-N 3.37Å; S173-D176 PolarHBondContact OG-OD2 2.79Å; S173-L177 PolarHBondContact O-N 2.98Å
174L79.4Confident70.9Confident29 Ų2979.6 Ų79.615%0.15243%0.428CS..Hα-helixtrans-57.9-35.6170.7179.861.1000111.6V127 D176 L177 M178 D198 L199 V202V127-L174 HydrophobicContact CG2-CD1 4.39Å; L174-D176 VanDerWaalsContact C-N 3.32Å; L174-D176 PolarHBondContact O-N 3.43Å; L174-L177 HydrophobicContact CD1-CD1 4.34Å; L174-L177 WeakPolarHBondContact O-CA 3.34Å; L174-L177 WeakPolarHBondContact O-CB 3.38Å; L174-L177 PolarHBondContact O-N 2.87Å; L174-M178 WeakPolarHBondContact O-CG 3.36Å; L174-M178 PolarHBondContact O-N 3.24Å; L174-D198 HydrophobicContact CD2-CB 4.37Å; L174-L199 HydrophobicContact CD1-CB 4.49Å; L174-L199 HydrophobicContact CD1-CD1 4.32Å; L174-L199 HydrophobicContact CD2-CB 4.27Å; L174-V202 HydrophobicContact CD1-CG2 4.01Å
175M80.4Confident71.3Confident124 Ų12483 Ų8361%0.61145%0.45SS*.Hα-helixtrans-64.6-34.8178.3-172.5170.2-76.200112.1S173 L177 M178 N179S173-M175 PolarHBondContact O-N 3.41Å; S173-M175 PolarHBondContact OG-N 3.26Å; M175-L177 VanDerWaalsContact C-N 3.29Å; M175-L177 PolarHBondContact O-N 3.21Å; M175-M178 PolarHBondContact O-N 3.4Å; M175-N179 WeakPolarHBondContact O-CB 3.48Å; M175-N179 PolarHBondContact O-N 3.34Å; M175-N179 PolarHBondContact O-ND2 3.04Å; M175-N179 VanDerWaalsContact O-ND2 3.1Å
176D80.9Confident72Confident59 Ų5984 Ų8432%0.31645%0.453SS..Hα-helixtrans-64.9-34.3172.3-55.6-55.1000111.9S172 S173 L174 M180S172-D176 PolarHBondContact N-OD2 2.64Å; S173-D176 WeakPolarHBondContact CB-OD2 3.16Å; S173-D176 PolarHBondContact N-OD2 3.06Å; S173-D176 WeakPolarHBondContact O-CB 3.5Å; S173-D176 PolarHBondContact O-N 3.17Å; S173-D176 VanDerWaalsContact O-N 3.17Å; S173-D176 PolarHBondContact OG-N 3.37Å; S173-D176 PolarHBondContact OG-OD2 2.79Å; L174-D176 VanDerWaalsContact C-N 3.32Å; L174-D176 PolarHBondContact O-N 3.43Å; D176-M180 WeakPolarHBondContact O-CB 3.47Å; D176-M180 PolarHBondContact O-N 2.85Å
177L80.6Confident72.7Confident1 Ų182.3 Ų82.31%0.00545%0.453CS..Hα-helixtrans-69.7-41.9175.1-55.3-178.7000111.6L157 Y158 L161 S173 L174 M175 M180 Y181 V202L157-L177 HydrophobicContact CD2-CD1 3.74Å; L157-L177 HydrophobicContact CG-CD1 4.19Å; Y158-L177 HydrophobicContact CD1-CD1 4.34Å; Y158-L177 HydrophobicContact CD1-CD2 4.41Å; Y158-L177 HydrophobicContact CE1-CD1 3.9Å; Y158-L177 HydrophobicContact CE1-CD2 4.22Å; Y158-L177 HydrophobicContact CE1-CG 4.24Å; L161-L177 HydrophobicContact CD2-CD2 3.43Å; L161-L177 VanDerWaalsContact CD2-CD2 3.43Å; S173-L177 PolarHBondContact O-N 2.98Å; L174-L177 HydrophobicContact CD1-CD1 4.34Å; L174-L177 WeakPolarHBondContact O-CA 3.34Å; L174-L177 WeakPolarHBondContact O-CB 3.38Å; L174-L177 PolarHBondContact O-N 2.87Å; M175-L177 VanDerWaalsContact C-N 3.29Å; M175-L177 PolarHBondContact O-N 3.21Å; L177-M180 PolarHBondContact O-N 3.45Å; L177-Y181 WeakPolarHBondContact O-CD2 3.22Å; L177-Y181 PolarHBondContact O-N 2.67Å; L177-Y181 VanDerWaalsContact O-N 3.08Å; L177-V202 HydrophobicContact CB-CG1 3.98Å; L177-V202 HydrophobicContact CB-CG2 4.25Å; L177-V202 HydrophobicContact CD1-CG1 4.21Å
178M81.9Confident73.5Confident10 Ų1080.2 Ų80.25%0.04945%0.454CS..Hα-helixtrans-61.2-47175.1-62.6-163.876.100111.5L174 M175 M180 Y181 E182 L183 E184 P185 D198 V202L174-M178 WeakPolarHBondContact O-CG 3.36Å; L174-M178 PolarHBondContact O-N 3.24Å; M175-M178 PolarHBondContact O-N 3.4Å; M178-M180 VanDerWaalsContact C-N 3.32Å; M178-M180 PolarHBondContact O-N 2.69Å; M178-Y181 CarbonylContact O-C 3.5Å; M178-Y181 PolarHBondContact O-N 2.73Å; M178-E182 PolarHBondContact O-N 2.89Å; M178-E182 VanDerWaalsContact O-N 3.08Å; M178-L183 HydrophobicContact CB-CB 4.34Å; M178-L183 HydrophobicContact CE-CB 3.94Å; M178-L183 PolarHBondContact O-N 2.86Å; M178-E184 WeakPolarHBondContact CE-O 3.38Å; M178-P185 HydrophobicContact CE-CB 4.37Å; M178-P185 HydrophobicContact SD-CB 4.47Å; M178-D198 HydrophobicContact CE-CB 3.82Å; M178-D198 WeakPolarHBondContact CE-OD1 3.28Å; M178-D198 HydrophobicContact SD-CB 3.59Å; M178-D198 VanDerWaalsContact SD-CB 3.59Å; M178-V202 HydrophobicContact CG-CG2 3.98Å
179N83.3Confident74.3Confident112 Ų11281.2 Ų81.260%0.59945%0.454SS*.Hα-helixtrans-60.4-39.3175.1-70.7-31.4000111.9M175 Y181 E182M175-N179 WeakPolarHBondContact O-CB 3.48Å; M175-N179 PolarHBondContact O-N 3.34Å; M175-N179 PolarHBondContact O-ND2 3.04Å; M175-N179 VanDerWaalsContact O-ND2 3.1Å; N179-Y181 VanDerWaalsContact C-N 3.31Å; N179-Y181 PolarHBondContact O-N 3.16Å; N179-E182 PolarHBondContact O-N 3.48Å
180M79.2Confident75.4Confident73 Ų7378.5 Ų78.536%0.3644%0.44SS..Hα-helixtrans-64.8-32.4176.6-173.6-175.2-58.700113.1L161 S171 D176 L177 M178L161-M180 HydrophobicContact CD1-SD 4.02Å; L161-M180 HydrophobicContact CD2-CE 4.2Å; L161-M180 HydrophobicContact CD2-SD 4.31Å; S171-M180 WeakPolarHBondContact OG-CE 3.33Å; D176-M180 WeakPolarHBondContact O-CB 3.47Å; D176-M180 PolarHBondContact O-N 2.85Å; L177-M180 PolarHBondContact O-N 3.45Å; M178-M180 VanDerWaalsContact C-N 3.32Å; M178-M180 PolarHBondContact O-N 2.69Å
181Y80.5Confident76.9Confident18 Ų1874.9 Ų74.97%0.07142%0.419CS..THydrogen-bonded Turntrans-97.75-178.8-77.9-63.9000114.8L161 L177 M178 N179 L183 V202 R205L161-Y181 HydrophobicContact CD1-CE2 3.89Å; L161-Y181 VanDerWaalsContact CD1-OH 3.32Å; L161-Y181 WeakPolarHBondContact CD1-OH 3.31Å; L177-Y181 WeakPolarHBondContact O-CD2 3.22Å; L177-Y181 PolarHBondContact O-N 2.67Å; L177-Y181 VanDerWaalsContact O-N 3.08Å; M178-Y181 CarbonylContact O-C 3.5Å; M178-Y181 PolarHBondContact O-N 2.73Å; N179-Y181 VanDerWaalsContact C-N 3.31Å; N179-Y181 PolarHBondContact O-N 3.16Å; Y181-L183 VanDerWaalsContact C-N 3.25Å; Y181-L183 PolarHBondContact O-N 3.31Å; Y181-V202 HydrophobicContact CD2-CG1 4.2Å; Y181-V202 HydrophobicContact CE2-CG1 4.31Å; Y181-R205 HydrophobicContact CD1-CG 3.51Å; Y181-R205 HydrophobicContact CE1-CG 4.1Å; Y181-R205 HydrophobicContact CG-CG 3.89Å
182E79.8Confident78.2Confident180 Ų18074.4 Ų74.484%0.84142%0.415SS*.THydrogen-bonded Turntrans55.140.6-175.6-57.5177.8160.800112M178 N179M178-E182 PolarHBondContact O-N 2.89Å; M178-E182 VanDerWaalsContact O-N 3.08Å; N179-E182 PolarHBondContact O-N 3.48Å
183L82Confident79.3Confident39 Ų3972.9 Ų72.920%0.20440%0.398CS..PPolyproline II helixtrans-96.3121.3179.8-62.9174.2000110.8M178 Y181 N201 V202 R205M178-L183 HydrophobicContact CB-CB 4.34Å; M178-L183 HydrophobicContact CE-CB 3.94Å; M178-L183 PolarHBondContact O-N 2.86Å; Y181-L183 VanDerWaalsContact C-N 3.25Å; Y181-L183 PolarHBondContact O-N 3.31Å; L183-N201 HydrophobicContact CD1-CB 4.27Å; L183-V202 HydrophobicContact CD1-CG2 3.85Å; L183-R205 HydrophobicContact CD1-CB 4.42Å
184E80.5Confident80Confident169 Ų16971.8 Ų71.879%0.7939%0.389SS*.PPolyproline II helixtrans-65.4135.1170.9-68.2-67.9164.600110.8M178M178-E184 WeakPolarHBondContact CE-O 3.38Å
185P79.8Confident80.4Confident78 Ų7871.5 Ų71.551%0.50639%0.391SS..PPolyproline II helixtrans-68.9138.7179.428.1-34.1000112.4M178 S187M178-P185 HydrophobicContact CE-CB 4.37Å; M178-P185 HydrophobicContact SD-CB 4.47Å; P185-S187 PolarHBondContact O-N 3.08Å
186T81.2Confident81Confident47 Ų4765.6 Ų65.629%0.28836%0.362SS..PPolyproline II helixtrans-63.5118.6177.6-58.90000109.7N194 A197 D198T186-N194 HydrophobicContact CG2-CB 4.15Å; T186-N194 VanDerWaalsContact O-CB 3.31Å; T186-N194 WeakPolarHBondContact O-CB 3.18Å; T186-N194 VanDerWaalsContact O-CG 3.28Å; T186-N194 PolarHBondContact O-ND2 3.13Å; T186-N194 VanDerWaalsContact O-ND2 3.13Å; T186-A197 HydrophobicContact CG2-CB 4.11Å; T186-D198 WeakPolarHBondContact CB-OD1 3.43Å; T186-D198 PolarHBondContact N-OD1 3.34Å; T186-D198 PolarHBondContact N-OD2 2.83Å; T186-D198 PolarHBondContact OG1-OD1 2.79Å
187S74.1Confident81.5Confident118 Ų11863.1 Ų63.183%0.82535%0.349SS*.PPolyproline II helixtrans-97.9135.3179.249.90000111.4P185P185-S187 PolarHBondContact O-N 3.08Å
188G70.2Confident82.1Confident51 Ų5163.7 Ų63.753%0.52635%0.352SS..SBendtrans169166.7-174.800000111.7F190 N194G188-F190 VanDerWaalsContact C-N 3.29Å; G188-F190 PolarHBondContact O-N 3.38Å; G188-N194 PolarHBondContact N-ND2 3.11Å; G188-N194 PolarHBondContact O-ND2 3.23Å
189E66.9Low82.5Confident176 Ų17663.2 Ų63.282%0.82235%0.35SS*.SBendtrans-68.6-24.6-174.7-60-179.9160.200113.5
190F76.7Confident83Confident94 Ų9457.9 Ų57.941%0.41232%0.322SS..  trans-101.485.1-172.1-60.2-80.8000111.7V93 G188 C192 H193 N194V93-F190 HydrophobicContact CG1-CD1 3.99Å; V93-F190 HydrophobicContact CG1-CE1 3.92Å; V93-F190 HydrophobicContact CG2-CD1 4.38Å; V93-F190 HydrophobicContact CG2-CE1 3.87Å; G188-F190 VanDerWaalsContact C-N 3.29Å; G188-F190 PolarHBondContact O-N 3.38Å; F190-C192 VanDerWaalsContact C-N 3.27Å; F190-C192 PolarHBondContact O-N 3.04Å; F190-C192 VanDerWaalsContact O-N 3.12Å; F190-H193 HydrophobicContact CB-CB 3.74Å; F190-H193 WeakPolarHBondContact O-CB 3.22Å; F190-H193 PolarHBondContact O-N 3.33Å; F190-N194 PolarHBondContact O-N 3.33Å; F190-N194 PolarHBondContact O-OD1 3.42Å
191A81Confident83.6Confident45 Ų4557.1 Ų57.137%0.37232%0.319SS..Hα-helixtrans-50.5-40.6-174.700000114.7N194 A195A191-N194 PolarHBondContact O-N 2.93Å; A191-A195 WeakPolarHBondContact O-CB 3.26Å; A191-A195 PolarHBondContact O-N 3.36Å
192C85.1Confident84Confident8 Ų856.3 Ų56.35%0.05432%0.316CS..Hα-helixtrans-70.1-35.1178.6-51.50000113.1Y50 F190 T196Y50-C192 HydrophobicContact CD1-CB 3.7Å; Y50-C192 HydrophobicContact CD2-CB 3.57Å; Y50-C192 HydrophobicContact CE1-CB 3.67Å; Y50-C192 HydrophobicContact CE2-CB 3.52Å; Y50-C192 HydrophobicContact CG-CB 3.64Å; Y50-C192 PolarHBondContact OH-O 3.34Å; F190-C192 VanDerWaalsContact C-N 3.27Å; F190-C192 PolarHBondContact O-N 3.04Å; F190-C192 VanDerWaalsContact O-N 3.12Å; C192-T196 PolarHBondContact O-N 2.62Å; C192-T196 VanDerWaalsContact O-N 3.12Å; C192-T196 PolarHBondContact O-OG1 2.71Å
193H87.3Confident84.6Confident56 Ų5647.7 Ų47.726%0.25928%0.276SS..Hα-helixtrans-66.4-46.2175-170.291.1000110.4Y50 I66 D68 F190 A195 T196 A197Y50-H193 WeakPolarHBondContact OH-CA 3.31Å; Y50-H193 PolarHBondContact OH-N 2.93Å; I66-H193 VanDerWaalsContact CG2-CE1 3.48Å; I66-H193 WeakPolarHBondContact CG2-CE1 3.45Å; D68-H193 IonicContact OD1-ND1 3.82Å; D68-H193 IonicContact OD2-CE1 3.87Å; D68-H193 IonicContact OD2-CG 3.55Å; D68-H193 IonicContact OD2-ND1 2.93Å; D68-H193 PolarHBondContact OD2-ND1 2.96Å; F190-H193 HydrophobicContact CB-CB 3.74Å; F190-H193 WeakPolarHBondContact O-CB 3.22Å; F190-H193 PolarHBondContact O-N 3.33Å; H193-A195 PolarHBondContact O-N 3.14Å; H193-T196 WeakPolarHBondContact O-CB 3.47Å; H193-T196 PolarHBondContact O-N 2.89Å; H193-T196 VanDerWaalsContact O-N 3.11Å; H193-A197 PolarHBondContact O-N 3.07Å
194N88.9Confident85Confident21 Ų2146 Ų4611%0.11227%0.267CS..Hα-helixtrans-57.3-49.8175.6-58.9-5.6000111T186 G188 F190 A191 T196 A197 D198T186-N194 HydrophobicContact CG2-CB 4.15Å; T186-N194 VanDerWaalsContact O-CB 3.31Å; T186-N194 WeakPolarHBondContact O-CB 3.18Å; T186-N194 VanDerWaalsContact O-CG 3.28Å; T186-N194 PolarHBondContact O-ND2 3.13Å; T186-N194 VanDerWaalsContact O-ND2 3.13Å; G188-N194 PolarHBondContact N-ND2 3.11Å; G188-N194 PolarHBondContact O-ND2 3.23Å; F190-N194 PolarHBondContact O-N 3.33Å; F190-N194 PolarHBondContact O-OD1 3.42Å; A191-N194 PolarHBondContact O-N 2.93Å; N194-T196 PolarHBondContact O-N 3.43Å; N194-A197 WeakPolarHBondContact O-CA 3.41Å; N194-A197 WeakPolarHBondContact O-CB 3.48Å; N194-A197 PolarHBondContact O-N 2.98Å; N194-D198 WeakPolarHBondContact O-CB 3.42Å; N194-D198 PolarHBondContact O-N 3.21Å
195A89Confident85.3Confident23 Ų2342.4 Ų42.419%0.1925%0.246CC..Hα-helixtrans-60.1-29.2177.300000113.5A191 H193 L199A191-A195 WeakPolarHBondContact O-CB 3.26Å; A191-A195 PolarHBondContact O-N 3.36Å; H193-A195 PolarHBondContact O-N 3.14Å; A195-L199 WeakPolarHBondContact O-CB 3.17Å; A195-L199 PolarHBondContact O-N 3.42Å; A195-L199 VanDerWaalsContact O-N 3.09Å
196T92Very high85.7Confident0 Ų038.7 Ų38.70%022%0.222CC..Hα-helixtrans-74.5-42.5173.6-54.60000111.4H30 Y50 G52 A54 I66 C192 H193 N194 D198 L199 G200H30-T196 HydrophobicContact CB-CG2 4.46Å; H30-T196 WeakPolarHBondContact CB-OG1 3.47Å; Y50-T196 WeakPolarHBondContact CE1-OG1 3.5Å; Y50-T196 PolarHBondContact OH-OG1 3.46Å; G52-T196 VanDerWaalsContact C-CG2 3.47Å; A54-T196 HydrophobicContact CB-CG2 4.32Å; A54-T196 WeakPolarHBondContact CB-O 3.49Å; I66-T196 HydrophobicContact CG2-CG2 3.93Å; C192-T196 PolarHBondContact O-N 2.62Å; C192-T196 VanDerWaalsContact O-N 3.12Å; C192-T196 PolarHBondContact O-OG1 2.71Å; H193-T196 WeakPolarHBondContact O-CB 3.47Å; H193-T196 PolarHBondContact O-N 2.89Å; H193-T196 VanDerWaalsContact O-N 3.11Å; N194-T196 PolarHBondContact O-N 3.43Å; T196-D198 VanDerWaalsContact C-N 3.34Å; T196-L199 PolarHBondContact O-N 3.18Å; T196-G200 PolarHBondContact O-N 3.17Å
197A92.4Very high86Confident6 Ų636.4 Ų36.45%0.0521%0.209CC..Hα-helixtrans-59.2-45.8172.700000111.5I66 T186 H193 N194 G200 N201I66-A197 HydrophobicContact CD1-CB 3.46Å; I66-A197 VanDerWaalsContact CD1-CB 3.46Å; I66-A197 HydrophobicContact CG1-CB 4.41Å; T186-A197 HydrophobicContact CG2-CB 4.11Å; H193-A197 PolarHBondContact O-N 3.07Å; N194-A197 WeakPolarHBondContact O-CA 3.41Å; N194-A197 WeakPolarHBondContact O-CB 3.48Å; N194-A197 PolarHBondContact O-N 2.98Å; A197-G200 CarbonylContact O-C 3.51Å; A197-G200 WeakPolarHBondContact O-CA 3.33Å; A197-G200 PolarHBondContact O-N 2.88Å; A197-G200 VanDerWaalsContact O-N 3.09Å; A197-N201 VanDerWaalsContact O-CG 3.29Å; A197-N201 PolarHBondContact O-N 2.73Å; A197-N201 PolarHBondContact O-ND2 3.16Å
198D91.5Very high86.6Confident13 Ų1332.6 Ų32.67%0.0718%0.184CC..Hα-helixtrans-62.8-42.9179.6-70.2-21.5000112.1L174 M178 T186 N194 T196 G200 N201 V202L174-D198 HydrophobicContact CD2-CB 4.37Å; M178-D198 HydrophobicContact CE-CB 3.82Å; M178-D198 WeakPolarHBondContact CE-OD1 3.28Å; M178-D198 HydrophobicContact SD-CB 3.59Å; M178-D198 VanDerWaalsContact SD-CB 3.59Å; T186-D198 WeakPolarHBondContact CB-OD1 3.43Å; T186-D198 PolarHBondContact N-OD1 3.34Å; T186-D198 PolarHBondContact N-OD2 2.83Å; T186-D198 PolarHBondContact OG1-OD1 2.79Å; N194-D198 WeakPolarHBondContact O-CB 3.42Å; N194-D198 PolarHBondContact O-N 3.21Å; T196-D198 VanDerWaalsContact C-N 3.34Å; D198-G200 VanDerWaalsContact C-N 3.34Å; D198-G200 PolarHBondContact O-N 2.91Å; D198-N201 PolarHBondContact O-N 3.22Å; D198-V202 WeakPolarHBondContact O-CG2 3.17Å; D198-V202 PolarHBondContact O-N 3.41Å
199L91.8Very high87.2Confident0 Ų031.8 Ų31.80%017%0.166CC..Hα-helixtrans-58.8-45169.8176.256.3000111.6M29 H30 V127 L157 L174 A195 T196 N201 V202 V203M29-L199 VanDerWaalsContact C-CD2 3.47Å; M29-L199 VanDerWaalsContact O-CD2 3.23Å; M29-L199 WeakPolarHBondContact O-CD2 3.38Å; H30-L199 HydrophobicContact CB-CD2 4.32Å; V127-L199 HydrophobicContact CG2-CD1 3.48Å; V127-L199 VanDerWaalsContact CG2-CD1 3.48Å; V127-L199 HydrophobicContact CG2-CD2 4.11Å; V127-L199 HydrophobicContact CG2-CG 4.37Å; L157-L199 HydrophobicContact CD2-CD1 3.64Å; L174-L199 HydrophobicContact CD1-CB 4.49Å; L174-L199 HydrophobicContact CD1-CD1 4.32Å; L174-L199 HydrophobicContact CD2-CB 4.27Å; A195-L199 WeakPolarHBondContact O-CB 3.17Å; A195-L199 PolarHBondContact O-N 3.42Å; A195-L199 VanDerWaalsContact O-N 3.09Å; T196-L199 PolarHBondContact O-N 3.18Å; L199-N201 VanDerWaalsContact C-N 3.32Å; L199-N201 PolarHBondContact O-N 2.98Å; L199-V202 PolarHBondContact O-N 3.11Å; L199-V203 HydrophobicContact CD1-CG2 4.06Å; L199-V203 WeakPolarHBondContact O-CG2 3.32Å; L199-V203 PolarHBondContact O-N 3.21Å
200G92.4Very high88Confident0 Ų023.4 Ų23.40%013%0.127CC..Hα-helixtrans-56.6-43.6173.400000112.8V56 T196 A197 D198 V203 A204V56-G200 WeakPolarHBondContact CG2-O 3.47Å; T196-G200 PolarHBondContact O-N 3.17Å; A197-G200 CarbonylContact O-C 3.51Å; A197-G200 WeakPolarHBondContact O-CA 3.33Å; A197-G200 PolarHBondContact O-N 2.88Å; A197-G200 VanDerWaalsContact O-N 3.09Å; D198-G200 VanDerWaalsContact C-N 3.34Å; D198-G200 PolarHBondContact O-N 2.91Å; G200-V203 PolarHBondContact O-N 2.67Å; G200-A204 WeakPolarHBondContact O-CB 3.31Å; G200-A204 PolarHBondContact O-N 2.97Å
201N91.9Very high88.2Confident57 Ų5721.8 Ų21.831%0.30513%0.125SC..Hα-helixtrans-64.9-42.2178.2-67.9-33.9000112.1L183 A197 D198 L199 R205L183-N201 HydrophobicContact CD1-CB 4.27Å; A197-N201 VanDerWaalsContact O-CG 3.29Å; A197-N201 PolarHBondContact O-N 2.73Å; A197-N201 PolarHBondContact O-ND2 3.16Å; D198-N201 PolarHBondContact O-N 3.22Å; L199-N201 VanDerWaalsContact C-N 3.32Å; L199-N201 PolarHBondContact O-N 2.98Å; N201-R205 WeakPolarHBondContact O-CB 3.17Å; N201-R205 PolarHBondContact O-N 3.15Å
202V90.4Very high88.4Confident1 Ų128.4 Ų28.41%0.00615%0.145CC..Hα-helixtrans-64.3-46.1175.3175.60000111.1L157 L174 L177 M178 Y181 L183 D198 L199 R205 L206L157-V202 HydrophobicContact CD2-CG1 3.96Å; L174-V202 HydrophobicContact CD1-CG2 4.01Å; L177-V202 HydrophobicContact CB-CG1 3.98Å; L177-V202 HydrophobicContact CB-CG2 4.25Å; L177-V202 HydrophobicContact CD1-CG1 4.21Å; M178-V202 HydrophobicContact CG-CG2 3.98Å; Y181-V202 HydrophobicContact CD2-CG1 4.2Å; Y181-V202 HydrophobicContact CE2-CG1 4.31Å; L183-V202 HydrophobicContact CD1-CG2 3.85Å; D198-V202 WeakPolarHBondContact O-CG2 3.17Å; D198-V202 PolarHBondContact O-N 3.41Å; L199-V202 PolarHBondContact O-N 3.11Å; V202-R205 PolarHBondContact O-N 3.48Å; V202-L206 WeakPolarHBondContact O-CB 3.35Å; V202-L206 PolarHBondContact O-N 2.77Å
203V91.1Very high88.3Confident0 Ų034.3 Ų34.30%017%0.167CC..Hα-helixtrans-63.2-44.1178172.60000111.2L26 V56 V125 L157 L199 G200 R205 L206 A207 F218L26-V203 HydrophobicContact CB-CG1 3.97Å; L26-V203 HydrophobicContact CD1-CG1 3.86Å; V56-V203 HydrophobicContact CG1-CG1 4.48Å; V56-V203 HydrophobicContact CG2-CB 4.48Å; V56-V203 HydrophobicContact CG2-CG1 4.32Å; V125-V203 HydrophobicContact CB-CG2 4.26Å; V125-V203 HydrophobicContact CG1-CG2 3.77Å; V125-V203 HydrophobicContact CG2-CG1 4.43Å; L157-V203 HydrophobicContact CD1-CG2 4.17Å; L157-V203 HydrophobicContact CD2-CG2 4.32Å; L199-V203 HydrophobicContact CD1-CG2 4.06Å; L199-V203 WeakPolarHBondContact O-CG2 3.32Å; L199-V203 PolarHBondContact O-N 3.21Å; G200-V203 PolarHBondContact O-N 2.67Å; V203-R205 VanDerWaalsContact C-N 3.33Å; V203-R205 PolarHBondContact O-N 3.22Å; V203-L206 PolarHBondContact O-N 2.97Å; V203-A207 WeakPolarHBondContact O-CB 3.45Å; V203-A207 PolarHBondContact O-N 3.37Å; V203-F218 HydrophobicContact CG1-CZ 4.29Å
204A90.8Very high87.8Confident3 Ų333.8 Ų33.83%0.02518%0.176CC..Hα-helixtrans-60.6-40.9175.900000112.4V56 G200 A208V56-A204 HydrophobicContact CG1-CB 3.75Å; V56-A204 HydrophobicContact CG2-CB 4.25Å; G200-A204 WeakPolarHBondContact O-CB 3.31Å; G200-A204 PolarHBondContact O-N 2.97Å; A204-A208 WeakPolarHBondContact O-CB 2.99Å; A204-A208 PolarHBondContact O-N 2.98Å
205R87.8Confident87.4Confident93 Ų9335.5 Ų35.535%0.35119%0.185SC..Hα-helixtrans-70.8-43.3178.3-178.156.9-177.8-91.4-10.7112.4Y181 L183 N201 V202 V203 A208 E209Y181-R205 HydrophobicContact CD1-CG 3.51Å; Y181-R205 HydrophobicContact CE1-CG 4.1Å; Y181-R205 HydrophobicContact CG-CG 3.89Å; L183-R205 HydrophobicContact CD1-CB 4.42Å; N201-R205 WeakPolarHBondContact O-CB 3.17Å; N201-R205 PolarHBondContact O-N 3.15Å; V202-R205 PolarHBondContact O-N 3.48Å; V203-R205 VanDerWaalsContact C-N 3.33Å; V203-R205 PolarHBondContact O-N 3.22Å; R205-A208 PolarHBondContact O-N 3.15Å; R205-E209 IonicContact CZ-OE1 3.64Å; R205-E209 VanDerWaalsContact CZ-OE1 3.23Å; R205-E209 IonicContact NE-OE1 3.43Å; R205-E209 PolarHBondContact NE-OE1 3.14Å; R205-E209 IonicContact NH2-OE1 2.77Å; R205-E209 PolarHBondContact NH2-OE1 3.06Å; R205-E209 PolarHBondContact O-N 2.97Å
206L87.5Confident86.6Confident0 Ų038.9 Ų38.90%020%0.197CC..Hα-helixtrans-59.8-49.4175174.955.9000111L157 E160 T164 V202 V203 A208 E209 S210 F218L157-L206 HydrophobicContact CD1-CD2 3.53Å; E160-L206 HydrophobicContact CB-CD2 4.06Å; T164-L206 HydrophobicContact CG2-CD1 3.78Å; V202-L206 WeakPolarHBondContact O-CB 3.35Å; V202-L206 PolarHBondContact O-N 2.77Å; V203-L206 PolarHBondContact O-N 2.97Å; L206-A208 PolarHBondContact O-N 3.21Å; L206-E209 PolarHBondContact O-N 3.02Å; L206-S210 PolarHBondContact O-N 3.17Å; L206-S210 PolarHBondContact O-OG 3.18Å; L206-F218 HydrophobicContact CD2-CE2 4.5Å; L206-F218 HydrophobicContact CD2-CZ 3.84Å; L206-F218 HydrophobicContact CG-CE2 4.39Å; L206-F218 HydrophobicContact CG-CZ 4.18Å
207A87.2Confident85.8Confident0 Ų039.5 Ų39.50%020%0.201CC..Hα-helixtrans-58.2-46.9177.700000112.3L26 P58 V203 E209 S210 V211 F218L26-A207 HydrophobicContact CD1-CB 4Å; P58-A207 HydrophobicContact CB-CB 3.79Å; V203-A207 WeakPolarHBondContact O-CB 3.45Å; V203-A207 PolarHBondContact O-N 3.37Å; A207-E209 VanDerWaalsContact C-N 3.34Å; A207-E209 PolarHBondContact O-N 2.75Å; A207-S210 PolarHBondContact O-N 2.65Å; A207-V211 WeakPolarHBondContact O-CG2 3.49Å; A207-V211 PolarHBondContact O-N 3.34Å; A207-F218 HydrophobicContact CB-CE2 4.15Å
208A85.7Confident85.3Confident38 Ų3839.5 Ų39.531%0.31420%0.2SC..Hα-helixtrans-63.5-36.7178.300000113A204 R205 L206 K212A204-A208 WeakPolarHBondContact O-CB 2.99Å; A204-A208 PolarHBondContact O-N 2.98Å; R205-A208 PolarHBondContact O-N 3.15Å; L206-A208 PolarHBondContact O-N 3.21Å; A208-K212 VanDerWaalsContact O-CB 3.25Å; A208-K212 WeakPolarHBondContact O-CB 3.42Å; A208-K212 PolarHBondContact O-N 2.58Å
209E83.6Confident84.6Confident33 Ų3342.3 Ų42.315%0.15421%0.212CC..Hα-helixtrans-71.8-39.4175.4-76.3-159.3-154.900113R205 L206 A207 K212 R213R205-E209 IonicContact CZ-OE1 3.64Å; R205-E209 VanDerWaalsContact CZ-OE1 3.23Å; R205-E209 IonicContact NE-OE1 3.43Å; R205-E209 PolarHBondContact NE-OE1 3.14Å; R205-E209 IonicContact NH2-OE1 2.77Å; R205-E209 PolarHBondContact NH2-OE1 3.06Å; R205-E209 PolarHBondContact O-N 2.97Å; L206-E209 PolarHBondContact O-N 3.02Å; A207-E209 VanDerWaalsContact C-N 3.34Å; A207-E209 PolarHBondContact O-N 2.75Å; E209-K212 PolarHBondContact O-N 3.11Å; E209-R213 WeakPolarHBondContact O-CB 3.22Å; E209-R213 WeakPolarHBondContact O-CG 3.32Å; E209-R213 PolarHBondContact O-N 3.44Å; E209-R213 IonicContact OE2-CZ 3.48Å; E209-R213 IonicContact OE2-NE 2.74Å; E209-R213 IonicContact OE2-NH2 3.57Å; E209-R213 PolarHBondContact OE2-NH2 3.35Å
210S83.3Confident84.1Confident0 Ų050.9 Ų50.90%025%0.253CS..Hα-helixtrans-63.2-47175.4-64.80000111.9T164 L206 A207 K212 R213 G214 I215 C217T164-S210 WeakPolarHBondContact CG2-OG 3.41Å; L206-S210 PolarHBondContact O-N 3.17Å; L206-S210 PolarHBondContact O-OG 3.18Å; A207-S210 PolarHBondContact O-N 2.65Å; S210-K212 VanDerWaalsContact C-N 3.33Å; S210-K212 PolarHBondContact O-N 3.41Å; S210-R213 CarbonylContact O-C 3.54Å; S210-R213 PolarHBondContact O-N 3.26Å; S210-R213 VanDerWaalsContact O-N 3.13Å; S210-G214 PolarHBondContact O-N 3.49Å; S210-I215 CarbonylContact C-O 3.58Å; S210-I215 WeakPolarHBondContact CB-O 3.2Å; S210-I215 PolarHBondContact O-N 3.12Å; S210-C217 WeakPolarHBondContact CB-SG 3.36Å; S210-C217 PolarHBondContact OG-SG 2.82Å; S210-C217 VanDerWaalsContact OG-SG 3.37Å
211V82.1Confident83.8Confident60 Ų6051.7 Ų51.736%0.36426%0.258SS..Hα-helixtrans-56.3-46172.8170.90000110.9A207 R213 G214A207-V211 WeakPolarHBondContact O-CG2 3.49Å; A207-V211 PolarHBondContact O-N 3.34Å; V211-R213 VanDerWaalsContact C-N 3.33Å; V211-R213 PolarHBondContact O-N 3.19Å; V211-G214 PolarHBondContact O-N 3.45Å
212K83.6Confident83.7Confident184 Ų18450.8 Ų50.880%0.825%0.251SS*.Hα-helixtrans-65.2-31.8177.7-178180176.6-175.10113.7A208 E209 S210A208-K212 VanDerWaalsContact O-CB 3.25Å; A208-K212 WeakPolarHBondContact O-CB 3.42Å; A208-K212 PolarHBondContact O-N 2.58Å; E209-K212 PolarHBondContact O-N 3.11Å; S210-K212 VanDerWaalsContact C-N 3.33Å; S210-K212 PolarHBondContact O-N 3.41Å
213R83Confident83.7Confident132 Ų13253.7 Ų53.750%0.49827%0.272SS..Hα-helixtrans-85.4-11.3178.6-67.8169.1-169.4-148.35.5113T164 E209 S210 V211 I215T164-R213 PolarHBondContact O-NH1 2.83Å; E209-R213 WeakPolarHBondContact O-CB 3.22Å; E209-R213 WeakPolarHBondContact O-CG 3.32Å; E209-R213 PolarHBondContact O-N 3.44Å; E209-R213 IonicContact OE2-CZ 3.48Å; E209-R213 IonicContact OE2-NE 2.74Å; E209-R213 IonicContact OE2-NH2 3.57Å; E209-R213 PolarHBondContact OE2-NH2 3.35Å; S210-R213 CarbonylContact O-C 3.54Å; S210-R213 PolarHBondContact O-N 3.26Å; S210-R213 VanDerWaalsContact O-N 3.13Å; V211-R213 VanDerWaalsContact C-N 3.33Å; V211-R213 PolarHBondContact O-N 3.19Å; R213-I215 HydrophobicContact CB-CB 4.35Å; R213-I215 HydrophobicContact CB-CD1 3.77Å; R213-I215 HydrophobicContact CB-CG1 3.76Å; R213-I215 HydrophobicContact CG-CD1 4.36Å
214G78.1Confident83.8Confident45 Ų4554.1 Ų54.146%0.46427%0.274SS..THydrogen-bonded Turntrans66.127.5-168.500000112.8S210 V211S210-G214 PolarHBondContact O-N 3.49Å; V211-G214 PolarHBondContact O-N 3.45Å
215I79.6Confident83.8Confident57 Ų5757 Ų5729%0.29229%0.287SS..  trans-93.4132.7176.5-65.8175.2000108.3T164 S210 R213T164-I215 HydrophobicContact CG2-CD1 4.4Å; S210-I215 CarbonylContact C-O 3.58Å; S210-I215 WeakPolarHBondContact CB-O 3.2Å; S210-I215 PolarHBondContact O-N 3.12Å; R213-I215 HydrophobicContact CB-CB 4.35Å; R213-I215 HydrophobicContact CB-CD1 3.77Å; R213-I215 HydrophobicContact CB-CG1 3.76Å; R213-I215 HydrophobicContact CG-CD1 4.36Å
216H72.3Confident83.6Confident95 Ų9555 Ų5544%0.4429%0.289SS..  trans-77.1124172.5-65.3-96.6000109.2E219H216-E219 HydrophobicContact CB-CG 4.28Å; H216-E219 WeakPolarHBondContact CB-OE2 3.28Å; H216-E219 IonicContact CE1-OE1 3.11Å; H216-E219 IonicContact CG-OE1 2.79Å; H216-E219 IonicContact CG-OE2 3.61Å; H216-E219 VanDerWaalsContact ND1-CD 3.27Å; H216-E219 IonicContact ND1-OE1 2.7Å; H216-E219 PolarHBondContact ND1-OE1 3.13Å; H216-E219 IonicContact ND1-OE2 2.72Å; H216-E219 PolarHBondContact ND1-OE2 3.23Å
217C76.6Confident83.4Confident13 Ų1360 Ų609%0.08832%0.32CS..  trans-140.5152.2177.764.50000109.5E160 S210 E219E160-C217 WeakPolarHBondContact OE2-CA 3.38Å; S210-C217 WeakPolarHBondContact CB-SG 3.36Å; S210-C217 PolarHBondContact OG-SG 2.82Å; S210-C217 VanDerWaalsContact OG-SG 3.37Å; C217-E219 PolarHBondContact O-N 2.71Å
218F81.8Confident83.4Confident6 Ų660.8 Ų60.83%0.02632%0.324CS..SBendtrans60.224.6-176.9-46.5-73.1000114.4L26 L123 V125 C155 E160 V203 L206 A207L26-F218 HydrophobicContact CD1-CD2 3.51Å; L26-F218 HydrophobicContact CD1-CE2 3.49Å; L26-F218 VanDerWaalsContact CD1-CE2 3.49Å; L26-F218 HydrophobicContact CD1-CG 4.11Å; L26-F218 HydrophobicContact CD1-CZ 4.05Å; L26-F218 HydrophobicContact CD2-CB 4.18Å; L26-F218 HydrophobicContact CD2-CD2 4.32Å; L26-F218 HydrophobicContact CD2-CG 4.19Å; L123-F218 HydrophobicContact CD2-CB 3.75Å; L123-F218 VanDerWaalsContact CD2-O 3.29Å; L123-F218 WeakPolarHBondContact CD2-O 3.49Å; V125-F218 HydrophobicContact CG1-CE1 3.88Å; V125-F218 HydrophobicContact CG2-CD1 4.03Å; V125-F218 HydrophobicContact CG2-CE1 3.88Å; C155-F218 HydrophobicContact CB-CD1 3.79Å; C155-F218 HydrophobicContact CB-CE1 4.4Å; E160-F218 HydrophobicContact CB-CE1 4.15Å; E160-F218 VanDerWaalsContact CD-N 3.26Å; E160-F218 HydrophobicContact CG-CD1 3.73Å; E160-F218 HydrophobicContact CG-CE1 3.75Å; E160-F218 VanDerWaalsContact OE1-CA 3.31Å; E160-F218 WeakPolarHBondContact OE1-CA 3.32Å; E160-F218 PolarHBondContact OE1-N 2.89Å; E160-F218 PolarHBondContact OE2-N 3.22Å; V203-F218 HydrophobicContact CG1-CZ 4.29Å; L206-F218 HydrophobicContact CD2-CE2 4.5Å; L206-F218 HydrophobicContact CD2-CZ 3.84Å; L206-F218 HydrophobicContact CG-CE2 4.39Å; L206-F218 HydrophobicContact CG-CZ 4.18Å; A207-F218 HydrophobicContact CB-CE2 4.15Å
219E75.5Confident83.3Confident71 Ų7162 Ų6233%0.33232%0.323SS..  trans-88.1-34-179.1-68-162.7157.900114.1H216 C217 P221H216-E219 HydrophobicContact CB-CG 4.28Å; H216-E219 WeakPolarHBondContact CB-OE2 3.28Å; H216-E219 IonicContact CE1-OE1 3.11Å; H216-E219 IonicContact CG-OE1 2.79Å; H216-E219 IonicContact CG-OE2 3.61Å; H216-E219 VanDerWaalsContact ND1-CD 3.27Å; H216-E219 IonicContact ND1-OE1 2.7Å; H216-E219 PolarHBondContact ND1-OE1 3.13Å; H216-E219 IonicContact ND1-OE2 2.72Å; H216-E219 PolarHBondContact ND1-OE2 3.23Å; C217-E219 PolarHBondContact O-N 2.71Å; E219-P221 VanDerWaalsContact C-CD 3.42Å; E219-P221 WeakPolarHBondContact O-CD 3.12Å
220E81.3Confident83.2Confident181 Ų18163.2 Ų63.285%0.84633%0.329SS*.SBendtrans-111.975.4-177.7-65.2-168.2154.300111.1E222E220-E222 PolarHBondContact O-N 3.03Å
221P86.8Confident83.1Confident16 Ų1664.1 Ų64.110%0.10434%0.338CS..PPolyproline II helixtrans-69.2133.7-177.829.3-36.6000112.1F23 L123 F154 E219 S223F23-P221 HydrophobicContact CE2-CG 4.2Å; F23-P221 HydrophobicContact CZ-CG 4.12Å; L123-P221 HydrophobicContact CD1-CB 3.57Å; L123-P221 HydrophobicContact CD1-CG 4.32Å; L123-P221 HydrophobicContact CD2-CB 4.42Å; F154-P221 CarbonylContact O-C 3.56Å; F154-P221 WeakPolarHBondContact O-CA 3.06Å; E219-P221 VanDerWaalsContact C-CD 3.42Å; E219-P221 WeakPolarHBondContact O-CD 3.12Å; P221-S223 PolarHBondContact O-N 2.69Å
222E89.9Confident83.1Confident38 Ų3864 Ų6418%0.17834%0.335CS..EExtended strand (participates in β ladder)trans-57.5122.1171.8-75.6-169.2-140.100110R133 R153 F154 K159 E220R133-E222 IonicContact CZ-OE2 3.58Å; R133-E222 IonicContact NE-OE2 3.72Å; R133-E222 PolarHBondContact NE-OE2 3.43Å; R133-E222 IonicContact NH2-OE2 2.7Å; R133-E222 PolarHBondContact NH2-OE2 3.37Å; R153-E222 WeakPolarHBondContact CA-O 3.25Å; F154-E222 HydrophobicContact CD1-CB 4.16Å; F154-E222 HydrophobicContact CE1-CB 3.75Å; F154-E222 HydrophobicContact CE2-CB 4.48Å; F154-E222 HydrophobicContact CZ-CB 3.92Å; F154-E222 HydrophobicContact CZ-CG 4.46Å; F154-E222 WeakPolarHBondContact CZ-OE2 3.38Å; F154-E222 PolarHBondContact N-O 3.31Å; F154-E222 WeakPolarHBondContact O-CB 3.41Å; F154-E222 PolarHBondContact O-N 3.19Å; K159-E222 WeakPolarHBondContact CE-OE1 3.38Å; K159-E222 IonicContact NZ-OE1 2.71Å; K159-E222 PolarHBondContact NZ-OE1 3.44Å; E220-E222 PolarHBondContact O-N 3.03Å
223S91.2Very high83Confident62 Ų6255.6 Ų55.643%0.43430%0.299SS..EExtended strand (participates in β ladder)trans-95.8135.2175.5-58.90000110.4W152 P221 N267W152-S223 CarbonylContact O-C 3.54Å; W152-S223 WeakPolarHBondContact O-CA 3.21Å; P221-S223 PolarHBondContact O-N 2.69Å; S223-N267 PolarHBondContact O-ND2 2.78Å; S223-N267 PolarHBondContact O-OD1 3.14Å
224V93.1Very high82.9Confident9 Ų951.3 Ų51.36%0.05529%0.287CS..PPolyproline II helixtrans-97.3124.4176.9-177.60000108.9W152 F154 A226W152-V224 HydrophobicContact CE3-CB 3.98Å; W152-V224 HydrophobicContact CE3-CG1 3.84Å; W152-V224 HydrophobicContact CZ3-CG1 4.04Å; W152-V224 PolarHBondContact O-N 2.92Å; F154-V224 HydrophobicContact CD1-CG2 4.12Å; F154-V224 HydrophobicContact CE1-CG2 3.85Å; V224-A226 PolarHBondContact O-N 3.04Å
225K90.3Very high82.9Confident65 Ų6554.6 Ų54.628%0.28329%0.289SS..PPolyproline II helixtrans-79.4117.5178.4-68.9-173.1174.9-1790111.1E229 N267 E292K225-E229 IonicContact NZ-OE2 2.72Å; K225-E229 PolarHBondContact NZ-OE2 3.5Å; K225-N267 PolarHBondContact N-OD1 2.87Å; K225-E292 VanDerWaalsContact CE-OE1 3.3Å; K225-E292 WeakPolarHBondContact CE-OE1 3.45Å; K225-E292 IonicContact NZ-OE1 2.99Å; K225-E292 PolarHBondContact NZ-OE1 2.96Å
226A83.4Confident83Confident49 Ų4959 Ų5941%0.40531%0.313SS..SBendtrans-80.9-22.7177.600000114W152 V224W152-A226 HydrophobicContact CD2-CB 4.2Å; W152-A226 HydrophobicContact CE3-CB 3.76Å; W152-A226 HydrophobicContact CH2-CB 3.67Å; W152-A226 HydrophobicContact CZ2-CB 4.1Å; W152-A226 HydrophobicContact CZ3-CB 3.49Å; W152-A226 VanDerWaalsContact CZ3-CB 3.49Å; V224-A226 PolarHBondContact O-N 3.04Å
227V84.2Confident83.6Confident107 Ų10756.8 Ų56.865%0.64830%0.304SS*.SBendtrans-126.5140.4-174.8-177.50000109.1E229V227-E229 PolarHBondContact O-N 3.07Å
228L86.5Confident84Confident15 Ų1562.7 Ų62.78%0.07934%0.34CS..PPolyproline II helixtrans-73.9121.8173.5179.864.6000110.4H230 D256 A260 I268 V273L228-H230 PolarHBondContact O-N 3.36Å; L228-D256 HydrophobicContact CD2-CB 3.7Å; L228-A260 HydrophobicContact CB-CB 3.87Å; L228-A260 HydrophobicContact CD2-CB 4.3Å; L228-A260 HydrophobicContact CG-CB 4.48Å; L228-I268 HydrophobicContact CD1-CB 3.96Å; L228-I268 HydrophobicContact CD1-CD1 4.45Å; L228-I268 HydrophobicContact CD1-CG2 3.65Å; L228-V273 HydrophobicContact CD1-CG2 3.97Å; L228-V273 HydrophobicContact CD2-CB 4.34Å; L228-V273 HydrophobicContact CD2-CG2 3.76Å
229E83.4Confident84.3Confident64 Ų6463 Ų6330%0.29934%0.342SS..PPolyproline II helixtrans-80.4117172-63.9-174.698.900110.3K225 V227 K270 G271K225-E229 IonicContact NZ-OE2 2.72Å; K225-E229 PolarHBondContact NZ-OE2 3.5Å; V227-E229 PolarHBondContact O-N 3.07Å; E229-K270 HydrophobicContact CB-CB 4.23Å; E229-K270 HydrophobicContact CB-CD 4.1Å; E229-K270 HydrophobicContact CB-CG 3.89Å; E229-K270 VanDerWaalsContact CD-CE 3.45Å; E229-K270 CarbonylContact O-C 3.55Å; E229-K270 WeakPolarHBondContact O-CA 3.46Å; E229-K270 WeakPolarHBondContact OE1-CE 3.43Å; E229-K270 IonicContact OE1-NZ 3.61Å; E229-K270 PolarHBondContact OE1-NZ 3.36Å; E229-K270 VanDerWaalsContact OE2-CE 3.23Å; E229-K270 WeakPolarHBondContact OE2-CE 3.31Å; E229-K270 IonicContact OE2-NZ 3.75Å; E229-G271 PolarHBondContact O-N 3.2Å
230H81.8Confident85.1Confident58 Ų5863.9 Ų63.927%0.26935%0.349SS..PPolyproline II helixtrans-61.6154.3170.1-52.6109.5000110.9L228L228-H230 PolarHBondContact O-N 3.36Å
231G80.9Confident85.7Confident19 Ų1957.6 Ų57.620%0.19633%0.325CS..  trans-173153-179.400000113G271 T427G231-G271 WeakPolarHBondContact O-CA 3.37Å; G231-T427 VanDerWaalsContact O-CB 3.29Å; G231-T427 WeakPolarHBondContact O-CB 3.48Å; G231-T427 VanDerWaalsContact O-CG2 3.31Å; G231-T427 WeakPolarHBondContact O-CG2 3.45Å; G231-T427 PolarHBondContact O-OG1 2.89Å
232I81.6Confident86Confident59 Ų5958.2 Ų58.230%0.30333%0.33SS..  trans-88.4142.4173.4-52.6175.7000108.2L338I232-L338 HydrophobicContact CD1-CB 3.66Å; I232-L338 HydrophobicContact CG1-CB 3.81Å
233C81.6Confident86.3Confident7 Ų757 Ų575%0.04733%0.325CS..EExtended strand (participates in β ladder)trans-115.7130.4169.4-173.10000108.8D237 A327C233-D237 VanDerWaalsContact CA-OD2 3.23Å; C233-D237 WeakPolarHBondContact CA-OD2 3.34Å; C233-D237 PolarHBondContact SG-OD2 2.98Å; C233-A327 HydrophobicContact CB-CB 4.19Å
234T80.6Confident86.5Confident41 Ų4154 Ų5425%0.25230%0.304SS..EExtended strand (participates in β ladder)trans-99.7165.817987.70000111.4D236 D237 L324 A328T234-D236 PolarHBondContact O-N 2.94Å; T234-D236 PolarHBondContact OG1-N 3.24Å; T234-D237 WeakPolarHBondContact CB-OD1 3.3Å; T234-D237 PolarHBondContact N-OD1 3.02Å; T234-D237 PolarHBondContact N-OD2 2.71Å; T234-D237 WeakPolarHBondContact O-CB 3.49Å; T234-D237 PolarHBondContact O-N 3.36Å; T234-D237 PolarHBondContact OG1-N 3.02Å; T234-D237 PolarHBondContact OG1-OD1 2.92Å; T234-L324 WeakPolarHBondContact O-CD2 3.31Å; T234-A328 WeakPolarHBondContact O-CB 3.34Å
235K79.3Confident86.8Confident115 Ų11553.6 Ų53.650%0.530%0.301SS..THydrogen-bonded Turntrans-72.6-14.5176.5-71.5178.6178.8165.50113.4A328 S330K235-A328 HydrophobicContact CB-CB 4.47Å; K235-A328 WeakPolarHBondContact CE-O 3.49Å; K235-A328 HydrophobicContact CG-CB 3.74Å; K235-S330 PolarHBondContact NZ-OG 2.99Å
236D81.3Confident87Confident149 Ų14953.1 Ų53.180%0.79730%0.298SS*.THydrogen-bonded Turntrans-93.6-4178.3-53.7-66.1000112T234 V238T234-D236 PolarHBondContact O-N 2.94Å; T234-D236 PolarHBondContact OG1-N 3.24Å; D236-V238 PolarHBondContact O-N 2.89Å
237D84.3Confident87.7Confident48 Ų4850.8 Ų50.826%0.25728%0.278SS..  trans-69.9118.4179.5-66.75.2000111.4C233 T234 I239 L324C233-D237 VanDerWaalsContact CA-OD2 3.23Å; C233-D237 WeakPolarHBondContact CA-OD2 3.34Å; C233-D237 PolarHBondContact SG-OD2 2.98Å; T234-D237 WeakPolarHBondContact CB-OD1 3.3Å; T234-D237 PolarHBondContact N-OD1 3.02Å; T234-D237 PolarHBondContact N-OD2 2.71Å; T234-D237 WeakPolarHBondContact O-CB 3.49Å; T234-D237 PolarHBondContact O-N 3.36Å; T234-D237 PolarHBondContact OG1-N 3.02Å; T234-D237 PolarHBondContact OG1-OD1 2.92Å; D237-I239 PolarHBondContact O-N 2.8Å; D237-L324 HydrophobicContact CB-CD2 4.19Å
238V86.1Confident88.2Confident137 Ų13750.1 Ų50.183%0.8326%0.264SS*.  trans-77.8113.7172-1770000109.9D236D236-V238 PolarHBondContact O-N 2.89Å
239I88.4Confident88.4Confident14 Ų1450.9 Ų50.97%0.07228%0.275CS..  trans-108.5120.6176.7-54.9-170.9000110.1D237 S241 V244 R290 F323 L324D237-I239 PolarHBondContact O-N 2.8Å; I239-S241 PolarHBondContact O-N 3.49Å; I239-V244 HydrophobicContact CG2-CG2 3.78Å; I239-R290 HydrophobicContact CG2-CG 4.28Å; I239-F323 HydrophobicContact CD1-CB 4.32Å; I239-F323 HydrophobicContact CD1-CD1 3.35Å; I239-F323 HydrophobicContact CD1-CE1 3.99Å; I239-F323 HydrophobicContact CD1-CG 4.11Å; I239-L324 HydrophobicContact CD1-CD2 3.67Å; I239-L324 HydrophobicContact CD1-CG 3.86Å; I239-L324 HydrophobicContact CG1-CD2 4.04Å; I239-L324 HydrophobicContact CG1-CG 4.17Å
240D91.5Very high88.9Confident89 Ų8948 Ų4848%0.47626%0.262SS..  trans-69117.7173177.616.5000111.2S242 T243D240-S242 PolarHBondContact O-N 2.99Å; D240-S242 VanDerWaalsContact O-N 3.1Å; D240-S242 WeakPolarHBondContact OD1-CB 3.43Å; D240-S242 PolarHBondContact OD1-N 2.78Å; D240-S242 WeakPolarHBondContact OD2-CB 3.48Å; D240-S242 PolarHBondContact OD2-OG 2.69Å; D240-T243 HydrophobicContact CB-CG2 4.27Å; D240-T243 PolarHBondContact O-N 3.47Å; D240-T243 PolarHBondContact O-OG1 2.94Å
241S93Very high89.2Confident48 Ų4846.7 Ų46.734%0.33626%0.259SS..G310 helixtrans-59-17.5173.8-62.90000113.4I239 T243 R297 T319 G320I239-S241 PolarHBondContact O-N 3.49Å; S241-T243 PolarHBondContact O-N 3.29Å; S241-R297 PolarHBondContact O-NH1 3.41Å; S241-T319 WeakPolarHBondContact OG-CA 3.34Å; S241-G320 PolarHBondContact OG-N 3.06Å
242S93.4Very high89.3Confident30 Ų3052.3 Ų52.321%0.2127%0.274CS..G310 helixtrans-66.4-14.5171.3102.90000113.4D240 N294 R297D240-S242 PolarHBondContact O-N 2.99Å; D240-S242 VanDerWaalsContact O-N 3.1Å; D240-S242 WeakPolarHBondContact OD1-CB 3.43Å; D240-S242 PolarHBondContact OD1-N 2.78Å; D240-S242 WeakPolarHBondContact OD2-CB 3.48Å; D240-S242 PolarHBondContact OD2-OG 2.69Å; S242-N294 PolarHBondContact O-ND2 2.72Å; S242-N294 WeakPolarHBondContact OG-CB 3.18Å; S242-R297 WeakPolarHBondContact O-CD 3.21Å; S242-R297 PolarHBondContact O-NE 3.49Å; S242-R297 VanDerWaalsContact O-NE 3.12Å; S242-R297 PolarHBondContact O-NH1 2.75Å
243T95.9Very high89.3Confident12 Ų1257 Ų577%0.07430%0.295CS..G310 helixtrans-105.4-5.6-174.2670000115.5D240 S241 F291D240-T243 HydrophobicContact CB-CG2 4.27Å; D240-T243 PolarHBondContact O-N 3.47Å; D240-T243 PolarHBondContact O-OG1 2.94Å; S241-T243 PolarHBondContact O-N 3.29Å; T243-F291 WeakPolarHBondContact CB-O 3.41Å; T243-F291 PolarHBondContact O-N 3.4Å
244V96.8Very high89.6Confident0 Ų057.2 Ų57.20%030%0.296CS..EExtended strand (participates in β ladder)trans-107.7136.9-167.3-166.80000113.7I239 L288 V289 R297 A318 F323I239-V244 HydrophobicContact CG2-CG2 3.78Å; V244-L288 HydrophobicContact CG1-CD2 4.38Å; V244-V289 WeakPolarHBondContact CA-O 3.48Å; V244-R297 VanDerWaalsContact O-CD 3.23Å; V244-R297 WeakPolarHBondContact O-CD 3.41Å; V244-A318 HydrophobicContact CG1-CB 4.03Å; V244-A318 PolarHBondContact O-N 3.41Å; V244-A318 VanDerWaalsContact O-N 3.08Å; V244-F323 HydrophobicContact CG1-CB 4.05Å; V244-F323 HydrophobicContact CG1-CD2 4.15Å; V244-F323 HydrophobicContact CG2-CB 4.47Å
245I97.7Very high89.9Confident0 Ų055.7 Ų55.70%029%0.287CS..EExtended strand (participates in β ladder)trans-115.5160166.360.4166000112.1F263 L288 V289 F291 R297 A300 L301 V315 Y316I245-F263 HydrophobicContact CD1-CD2 4.46Å; I245-F263 HydrophobicContact CD1-CE1 3.79Å; I245-F263 HydrophobicContact CD1-CE2 3.64Å; I245-F263 HydrophobicContact CD1-CZ 3.24Å; I245-L288 WeakPolarHBondContact O-CA 3.23Å; I245-V289 HydrophobicContact CD1-CB 3.98Å; I245-V289 HydrophobicContact CD1-CG2 4.31Å; I245-V289 HydrophobicContact CG1-CB 3.69Å; I245-V289 HydrophobicContact CG1-CG2 4.35Å; I245-V289 PolarHBondContact N-O 2.74Å; I245-V289 PolarHBondContact O-N 3.43Å; I245-F291 HydrophobicContact CD1-CE2 3.69Å; I245-F291 HydrophobicContact CD1-CZ 3.94Å; I245-F291 HydrophobicContact CG1-CE2 3.76Å; I245-F291 HydrophobicContact CG1-CZ 4.43Å; I245-F291 HydrophobicContact CG2-CE2 4.13Å; I245-R297 HydrophobicContact CG2-CG 3.58Å; I245-A300 HydrophobicContact CD1-CB 4.22Å; I245-A300 HydrophobicContact CG2-CB 4.4Å; I245-L301 HydrophobicContact CG2-CD2 4.28Å; I245-L301 HydrophobicContact CG2-CG 4.5Å; I245-V315 HydrophobicContact CB-CG1 4.05Å; I245-V315 HydrophobicContact CD1-CG1 3.67Å; I245-V315 HydrophobicContact CG1-CG1 4.46Å; I245-V315 HydrophobicContact CG2-CG1 4.01Å; I245-Y316 CarbonylContact C-O 3.56Å; I245-Y316 WeakPolarHBondContact CA-O 3.46Å; I245-Y316 VanDerWaalsContact CB-O 3.25Å; I245-Y316 WeakPolarHBondContact CB-O 3.26Å
246R96.4Very high90.4Very high54 Ų5450.4 Ų50.420%0.20427%0.265CS..EExtended strand (participates in β ladder)trans-111.5120.7159.4-178.7174.3-85.5121.5-6.6108.6R248 A287 L288 Y316 A318 D322R246-R248 HydrophobicContact CG-CG 4.29Å; R246-A287 CarbonylContact C-O 3.27Å; R246-A287 WeakPolarHBondContact CA-O 3.49Å; R246-L288 HydrophobicContact CB-CD2 3.79Å; R246-L288 HydrophobicContact CG-CD2 4.25Å; R246-Y316 PolarHBondContact N-O 3.35Å; R246-Y316 PolarHBondContact O-N 3.28Å; R246-A318 HydrophobicContact CB-CB 4.01Å; R246-D322 IonicContact CZ-OD1 3.48Å; R246-D322 IonicContact CZ-OD2 2.71Å; R246-D322 VanDerWaalsContact NH1-CG 3.28Å; R246-D322 IonicContact NH1-OD1 3.22Å; R246-D322 PolarHBondContact NH1-OD1 3.48Å; R246-D322 IonicContact NH1-OD2 2.71Å; R246-D322 PolarHBondContact NH1-OD2 2.71Å; R246-D322 IonicContact NH2-OD1 2.89Å; R246-D322 PolarHBondContact NH2-OD1 3.43Å; R246-D322 IonicContact NH2-OD2 3.94Å
247A96.9Very high90.7Very high0 Ų046 Ų460%024%0.239CC..EExtended strand (participates in β ladder)trans-97.6139172.600000109.9F263 E286 A287 I313 E314A247-F263 HydrophobicContact CB-CE2 4.47Å; A247-F263 HydrophobicContact CB-CZ 4.5Å; A247-E286 CarbonylContact O-C 3.38Å; A247-E286 VanDerWaalsContact O-CA 3.28Å; A247-E286 WeakPolarHBondContact O-CA 3.17Å; A247-A287 PolarHBondContact N-O 3.3Å; A247-A287 PolarHBondContact O-N 2.69Å; A247-I313 HydrophobicContact CB-CG2 4.1Å; A247-E314 CarbonylContact C-O 3.6Å; A247-E314 WeakPolarHBondContact CA-O 3.49Å
248R94Very high91.1Very high94 Ų9446.6 Ų46.636%0.35524%0.242SC..EExtended strand (participates in β ladder)trans-134158.8-179.3-49-177.3121.8160.21.6111R246 G285 E286 I313 E314 Y316R246-R248 HydrophobicContact CG-CG 4.29Å; R248-G285 CarbonylContact C-O 3.54Å; R248-E286 HydrophobicContact CB-CG 4.43Å; R248-E286 HydrophobicContact CG-CG 4.21Å; R248-E286 IonicContact CZ-OE1 2.87Å; R248-E286 IonicContact NE-OE1 2.67Å; R248-E286 PolarHBondContact NE-OE1 2.75Å; R248-E286 IonicContact NH2-OE1 2.71Å; R248-E286 PolarHBondContact NH2-OE1 2.94Å; R248-I313 CarbonylContact O-C 3.59Å; R248-I313 WeakPolarHBondContact O-CA 3.4Å; R248-E314 HydrophobicContact CB-CB 4.3Å; R248-E314 PolarHBondContact N-O 3.17Å; R248-E314 PolarHBondContact O-N 3.31Å; R248-Y316 HydrophobicContact CG-CD2 4.26Å; R248-Y316 HydrophobicContact CG-CE2 4.32Å
249G91.6Very high91.4Very high30 Ų3040.1 Ų40.131%0.30920%0.203SC..SBendtrans866.6-178.400000114.1G285 R311G249-G285 PolarHBondContact N-O 3.37Å; G249-R311 WeakPolarHBondContact O-CB 3.41Å; G249-R311 WeakPolarHBondContact O-CD 3.17Å
250L93.2Very high91.7Very high4 Ų440 Ų402%0.02120%0.204CC..  trans-57.2140.6179.8-61.9165.4000111I259 G285 A287 M308 R311 I313L250-I259 HydrophobicContact CD1-CD1 3.87Å; L250-I259 HydrophobicContact CD1-CG1 4.26Å; L250-I259 HydrophobicContact CD2-CG1 4.05Å; L250-G285 PolarHBondContact N-O 3.25Å; L250-G285 WeakPolarHBondContact O-CA 3.18Å; L250-A287 HydrophobicContact CD1-CB 3.6Å; L250-M308 HydrophobicContact CD2-CE 3.57Å; L250-M308 HydrophobicContact CD2-SD 3.74Å; L250-R311 PolarHBondContact O-NH1 3.39Å; L250-I313 HydrophobicContact CD2-CD1 3.86Å; L250-I313 HydrophobicContact CD2-CG1 4.4Å; L250-I313 HydrophobicContact CD2-CG2 4.37Å; L250-I313 HydrophobicContact CG-CD1 4.38Å
251P88Confident91.7Very high30 Ų3039.7 Ų39.720%0.19520%0.2CC..  trans-53.1138.8166-23.332.4000111.2Q253 S254 M308 R311P251-Q253 PolarHBondContact O-N 2.7Å; P251-Q253 VanDerWaalsContact O-N 3.12Å; P251-S254 WeakPolarHBondContact CB-OG 3.06Å; P251-S254 WeakPolarHBondContact CD-OG 3.44Å; P251-S254 VanDerWaalsContact O-CB 3.32Å; P251-S254 WeakPolarHBondContact O-CB 3.23Å; P251-S254 PolarHBondContact O-N 2.64Å; P251-S254 PolarHBondContact O-OG 2.63Å; P251-M308 VanDerWaalsContact CD-SD 3.57Å; P251-M308 HydrophobicContact CG-CG 4.36Å; P251-M308 HydrophobicContact CG-SD 4.24Å; P251-R311 HydrophobicContact CG-CG 4.46Å
252W83.3Confident91.8Very high138 Ų13838.5 Ų38.552%0.52319%0.189SC..THydrogen-bonded Turntrans-68-15.2-172.9-58.5-41.1000114.6
253Q82.8Confident91.9Very high158 Ų15837.1 Ų37.174%0.73818%0.179SC*.THydrogen-bonded Turntrans-90.6-12.6174.7-67.6-175.583.300113P251P251-Q253 PolarHBondContact O-N 2.7Å; P251-Q253 VanDerWaalsContact O-N 3.12Å
254S86.7Confident91.9Very high10 Ų1037.3 Ų37.37%0.0718%0.179CC..  trans-57.5143.6-177.6-64.60000112.3P251 R283 M308P251-S254 WeakPolarHBondContact CB-OG 3.06Å; P251-S254 WeakPolarHBondContact CD-OG 3.44Å; P251-S254 VanDerWaalsContact O-CB 3.32Å; P251-S254 WeakPolarHBondContact O-CB 3.23Å; P251-S254 PolarHBondContact O-N 2.64Å; P251-S254 PolarHBondContact O-OG 2.63Å; S254-R283 PolarHBondContact O-NH1 2.86Å; S254-M308 PolarHBondContact OG-SD 3.13Å
255S87.8Confident91.7Very high10 Ų1037.4 Ų37.47%0.0718%0.18CC..  trans-103.3-178.5176.967.50000111.7Q257 D258 I259S255-Q257 PolarHBondContact OG-N 2.98Å; S255-D258 WeakPolarHBondContact CB-OD2 3.47Å; S255-D258 PolarHBondContact N-OD2 3.31Å; S255-D258 PolarHBondContact OG-N 3.27Å; S255-D258 PolarHBondContact OG-OD2 2.82Å; S255-I259 WeakPolarHBondContact O-CD1 3.3Å; S255-I259 WeakPolarHBondContact O-CG1 3.15Å; S255-I259 PolarHBondContact O-N 3.23Å
256D89.8Confident91.6Very high4 Ų437.6 Ų37.62%0.02118%0.181CC..Hα-helixtrans-64.5-37.4167.445.75000113L228 I259 A260 V273 R424 T426L228-D256 HydrophobicContact CD2-CB 3.7Å; D256-I259 PolarHBondContact O-N 3.04Å; D256-A260 PolarHBondContact O-N 3.3Å; D256-V273 HydrophobicContact CB-CB 4.04Å; D256-V273 HydrophobicContact CB-CG1 3.93Å; D256-R424 IonicContact OD1-CZ 3.62Å; D256-R424 IonicContact OD1-NE 3.28Å; D256-R424 PolarHBondContact OD1-NE 2.81Å; D256-T426 HydrophobicContact CB-CG2 3.66Å; D256-T426 WeakPolarHBondContact OD2-CB 3.33Å; D256-T426 WeakPolarHBondContact OD2-CG2 3.46Å
257Q88.4Confident91.5Very high56 Ų5635.5 Ų35.526%0.26217%0.174SC..Hα-helixtrans-67.4-36.8177-175.159.718.800112.4S255 I259 A260 Q261S255-Q257 PolarHBondContact OG-N 2.98Å; Q257-I259 VanDerWaalsContact C-N 3.28Å; Q257-I259 PolarHBondContact O-N 3.37Å; Q257-A260 PolarHBondContact O-N 3.3Å; Q257-Q261 WeakPolarHBondContact O-CB 3.19Å; Q257-Q261 PolarHBondContact O-N 3.1Å
258D90.8Very high91.5Very high61 Ų6136 Ų3633%0.32618%0.177SC..Hα-helixtrans-62.4-37.3172.7-60.9-81.3000111.6S255 Q261 F262 M308S255-D258 WeakPolarHBondContact CB-OD2 3.47Å; S255-D258 PolarHBondContact N-OD2 3.31Å; S255-D258 PolarHBondContact OG-N 3.27Å; S255-D258 PolarHBondContact OG-OD2 2.82Å; D258-Q261 PolarHBondContact O-N 3.44Å; D258-F262 WeakPolarHBondContact O-CB 3.31Å; D258-F262 PolarHBondContact O-N 2.83Å; D258-M308 WeakPolarHBondContact O-CE 3.21Å
259I93.9Very high91.4Very high0 Ų032.2 Ų32.20%017%0.165CC..Hα-helixtrans-70.7-42177.2-67.1164.7000110.7L250 S255 D256 Q257 Q261 F262 F263 V273 L275 A287 V289 M308L250-I259 HydrophobicContact CD1-CD1 3.87Å; L250-I259 HydrophobicContact CD1-CG1 4.26Å; L250-I259 HydrophobicContact CD2-CG1 4.05Å; S255-I259 WeakPolarHBondContact O-CD1 3.3Å; S255-I259 WeakPolarHBondContact O-CG1 3.15Å; S255-I259 PolarHBondContact O-N 3.23Å; D256-I259 PolarHBondContact O-N 3.04Å; Q257-I259 VanDerWaalsContact C-N 3.28Å; Q257-I259 PolarHBondContact O-N 3.37Å; I259-Q261 VanDerWaalsContact C-N 3.28Å; I259-Q261 PolarHBondContact O-N 3.27Å; I259-F262 PolarHBondContact O-N 3.49Å; I259-F263 HydrophobicContact CG2-CD2 3.81Å; I259-F263 HydrophobicContact CG2-CE2 4.01Å; I259-F263 WeakPolarHBondContact O-CD2 3.4Å; I259-F263 PolarHBondContact O-N 3.27Å; I259-V273 HydrophobicContact CB-CG1 4.24Å; I259-V273 HydrophobicContact CD1-CG1 3.81Å; I259-V273 HydrophobicContact CG2-CG1 4.06Å; I259-L275 HydrophobicContact CD1-CD2 3.4Å; I259-L275 VanDerWaalsContact CD1-CD2 3.4Å; I259-A287 HydrophobicContact CD1-CB 3.67Å; I259-V289 HydrophobicContact CG2-CG2 3.66Å; I259-M308 HydrophobicContact CG1-CE 4.29Å
260A93.6Very high91.3Very high12 Ų1236.9 Ų36.910%0.09918%0.177CC..Hα-helixtrans-63-36.1173.200000111.9L228 D256 Q257 F263 I264 I268L228-A260 HydrophobicContact CB-CB 3.87Å; L228-A260 HydrophobicContact CD2-CB 4.3Å; L228-A260 HydrophobicContact CG-CB 4.48Å; D256-A260 PolarHBondContact O-N 3.3Å; Q257-A260 PolarHBondContact O-N 3.3Å; A260-F263 CarbonylContact O-C 3.58Å; A260-F263 PolarHBondContact O-N 3.18Å; A260-I264 WeakPolarHBondContact O-CA 3.5Å; A260-I264 PolarHBondContact O-N 2.77Å; A260-I268 HydrophobicContact CB-CD1 4.11Å
261Q92.9Very high91Very high83 Ų8337.1 Ų37.139%0.38818%0.181SC..Hα-helixtrans-65.6-44.8173.5-161.8179.2-12.300111.6C141 Q257 D258 I259 F263 I264C141-Q261 WeakPolarHBondContact SG-CG 3.48Å; C141-Q261 PolarHBondContact SG-NE2 3.36Å; C141-Q261 VanDerWaalsContact SG-NE2 3.44Å; Q257-Q261 WeakPolarHBondContact O-CB 3.19Å; Q257-Q261 PolarHBondContact O-N 3.1Å; D258-Q261 PolarHBondContact O-N 3.44Å; I259-Q261 VanDerWaalsContact C-N 3.28Å; I259-Q261 PolarHBondContact O-N 3.27Å; Q261-F263 VanDerWaalsContact C-N 3.3Å; Q261-F263 PolarHBondContact O-N 3.08Å; Q261-I264 VanDerWaalsContact O-CB 3.23Å; Q261-I264 WeakPolarHBondContact O-CB 3.37Å; Q261-I264 WeakPolarHBondContact O-CG2 3.48Å; Q261-I264 PolarHBondContact O-N 3.49Å
262F94.5Very high91.2Very high22 Ų2235.7 Ų35.710%0.09617%0.171CC..Hα-helixtrans-65.7-29.2175.6176-92.5000113.5D258 I259 R303 H306 M308 I313 V315D258-F262 WeakPolarHBondContact O-CB 3.31Å; D258-F262 PolarHBondContact O-N 2.83Å; I259-F262 PolarHBondContact O-N 3.49Å; F262-R303 HydrophobicContact CE1-CB 4.39Å; F262-R303 HydrophobicContact CZ-CB 4.31Å; F262-R303 PolarHBondContact O-NH1 3.15Å; F262-H306 HydrophobicContact CE2-CB 3.68Å; F262-H306 HydrophobicContact CZ-CB 3.76Å; F262-M308 HydrophobicContact CB-CE 3.38Å; F262-M308 HydrophobicContact CD1-CE 4.44Å; F262-M308 HydrophobicContact CD2-CB 4.06Å; F262-M308 HydrophobicContact CD2-CE 4.24Å; F262-M308 HydrophobicContact CG-CE 3.79Å; F262-I313 HydrophobicContact CD2-CG1 4.32Å; F262-I313 HydrophobicContact CE1-CB 4.06Å; F262-I313 HydrophobicContact CE1-CG1 4.42Å; F262-I313 HydrophobicContact CE1-CG2 3.92Å; F262-I313 HydrophobicContact CE2-CB 4.02Å; F262-I313 HydrophobicContact CE2-CG1 3.84Å; F262-I313 HydrophobicContact CZ-CB 3.57Å; F262-I313 HydrophobicContact CZ-CG1 3.91Å; F262-I313 HydrophobicContact CZ-CG2 3.97Å; F262-V315 HydrophobicContact CE1-CG2 4.36Å
263F95.7Very high91.7Very high2 Ų229.3 Ų29.31%0.00915%0.148CC..THydrogen-bonded Turntrans-98.314.7173.4-68-62.3000114.1I245 A247 I259 A260 Q261 G265 L266 I268 V289 F291 A300 R303 V315I245-F263 HydrophobicContact CD1-CD2 4.46Å; I245-F263 HydrophobicContact CD1-CE1 3.79Å; I245-F263 HydrophobicContact CD1-CE2 3.64Å; I245-F263 HydrophobicContact CD1-CZ 3.24Å; A247-F263 HydrophobicContact CB-CE2 4.47Å; A247-F263 HydrophobicContact CB-CZ 4.5Å; I259-F263 HydrophobicContact CG2-CD2 3.81Å; I259-F263 HydrophobicContact CG2-CE2 4.01Å; I259-F263 WeakPolarHBondContact O-CD2 3.4Å; I259-F263 PolarHBondContact O-N 3.27Å; A260-F263 CarbonylContact O-C 3.58Å; A260-F263 PolarHBondContact O-N 3.18Å; Q261-F263 VanDerWaalsContact C-N 3.3Å; Q261-F263 PolarHBondContact O-N 3.08Å; F263-G265 PolarHBondContact O-N 2.84Å; F263-L266 HydrophobicContact CD1-CD1 4.29Å; F263-L266 VanDerWaalsContact O-CB 3.31Å; F263-L266 WeakPolarHBondContact O-CB 3.34Å; F263-L266 PolarHBondContact O-N 2.8Å; F263-I268 HydrophobicContact CB-CD1 4.28Å; F263-V289 HydrophobicContact CD2-CG2 4.43Å; F263-V289 HydrophobicContact CE2-CG2 4.17Å; F263-F291 HydrophobicContact CB-CE1 4.14Å; F263-F291 HydrophobicContact CB-CZ 4.29Å; F263-F291 AromaticContact CD1-CZ 3.99Å; F263-F291 HydrophobicContact CD1-CZ 3.99Å; F263-F291 HydrophobicContact CD2-CZ 4.37Å; F263-F291 HydrophobicContact CE1-CZ 4.44Å; F263-F291 HydrophobicContact CG-CE1 4.31Å; F263-F291 AromaticContact CG-CZ 3.96Å; F263-F291 HydrophobicContact CG-CZ 3.96Å; F263-A300 HydrophobicContact CD1-CB 3.98Å; F263-A300 HydrophobicContact CE1-CB 3.84Å; F263-R303 VanDerWaalsContact C-NH1 3.26Å; F263-R303 VanDerWaalsContact CA-NH1 3.34Å; F263-V315 HydrophobicContact CE1-CG2 4.19Å; F263-V315 HydrophobicContact CZ-CG1 4.38Å; F263-V315 HydrophobicContact CZ-CG2 4.01Å
264I94.6Very high92.2Very high16 Ų1621.8 Ų21.88%0.08211%0.112CC..THydrogen-bonded Turntrans-54.8140.2-177.8-166.262000111.8H137 P138 C141 W152 A260 Q261 L266 R303H137-I264 HydrophobicContact CB-CG1 4.34Å; H137-I264 HydrophobicContact CB-CG2 4.29Å; P138-I264 HydrophobicContact CG-CG2 4.46Å; C141-I264 HydrophobicContact CB-CG2 3.78Å; W152-I264 HydrophobicContact CH2-CD1 4.31Å; W152-I264 HydrophobicContact CZ3-CD1 4.22Å; A260-I264 WeakPolarHBondContact O-CA 3.5Å; A260-I264 PolarHBondContact O-N 2.77Å; Q261-I264 VanDerWaalsContact O-CB 3.23Å; Q261-I264 WeakPolarHBondContact O-CB 3.37Å; Q261-I264 WeakPolarHBondContact O-CG2 3.48Å; Q261-I264 PolarHBondContact O-N 3.49Å; I264-L266 VanDerWaalsContact C-N 3.33Å; I264-R303 PolarHBondContact O-NH1 2.89Å; I264-R303 PolarHBondContact O-NH2 3.28Å
265G93.1Very high92.5Very high1 Ų121.6 Ų21.61%0.0111%0.11CC..THydrogen-bonded Turntrans91.3-15.8-168.700000114R133 F263R133-G265 WeakPolarHBondContact CD-O 3.31Å; R133-G265 WeakPolarHBondContact CG-O 3.49Å; R133-G265 PolarHBondContact NH1-O 2.66Å; F263-G265 PolarHBondContact O-N 2.84Å
266L96Very high92.6Very high5 Ų521.8 Ų21.83%0.02611%0.112CC..SBendtrans-110.9125.9176.5-51178.1000109.2R133 F263 I264 I268 F291 H296 L299 A300R133-L266 HydrophobicContact CB-CD2 4Å; F263-L266 HydrophobicContact CD1-CD1 4.29Å; F263-L266 VanDerWaalsContact O-CB 3.31Å; F263-L266 WeakPolarHBondContact O-CB 3.34Å; F263-L266 PolarHBondContact O-N 2.8Å; I264-L266 VanDerWaalsContact C-N 3.33Å; L266-I268 PolarHBondContact O-N 3.06Å; L266-I268 VanDerWaalsContact O-N 3.15Å; L266-F291 HydrophobicContact CB-CD1 4.03Å; L266-F291 HydrophobicContact CB-CE1 3.76Å; L266-F291 HydrophobicContact CD1-CE1 4.38Å; L266-H296 HydrophobicContact CB-CB 4.36Å; L266-L299 HydrophobicContact CD1-CB 4.18Å; L266-L299 HydrophobicContact CD2-CB 3.56Å; L266-L299 HydrophobicContact CD2-CD1 3.71Å; L266-L299 HydrophobicContact CD2-CG 4.29Å; L266-A300 HydrophobicContact CD1-CB 3.75Å
267N95.1Very high92.5Very high10 Ų1022.3 Ų22.35%0.05312%0.115CC..  trans-76.6112.2-173.9-60.510.7000110.2R133 S223 K225 F291 E292 H296R133-N267 PolarHBondContact NH1-OD1 3.41Å; S223-N267 PolarHBondContact O-ND2 2.78Å; S223-N267 PolarHBondContact O-OD1 3.14Å; K225-N267 PolarHBondContact N-OD1 2.87Å; N267-F291 CarbonylContact O-C 3.28Å; N267-F291 WeakPolarHBondContact O-CA 3.36Å; N267-F291 WeakPolarHBondContact O-CD1 3.32Å; N267-E292 HydrophobicContact CB-CB 4.17Å; N267-E292 HydrophobicContact CB-CG 3.85Å; N267-E292 WeakPolarHBondContact CB-OE2 3.45Å; N267-E292 PolarHBondContact ND2-OE2 3.4Å; N267-E292 PolarHBondContact O-N 3.1Å; N267-H296 PolarHBondContact N-ND1 3.43Å
268I95.3Very high92.3Very high11 Ų1121 Ų216%0.05611%0.111CC..EExtended strand (participates in β ladder)trans-79.4138.1169.1-59.2174.3000108.3L228 A260 F263 L266 V273 V289 R290 F291L228-I268 HydrophobicContact CD1-CB 3.96Å; L228-I268 HydrophobicContact CD1-CD1 4.45Å; L228-I268 HydrophobicContact CD1-CG2 3.65Å; A260-I268 HydrophobicContact CB-CD1 4.11Å; F263-I268 HydrophobicContact CB-CD1 4.28Å; L266-I268 PolarHBondContact O-N 3.06Å; L266-I268 VanDerWaalsContact O-N 3.15Å; I268-V273 HydrophobicContact CD1-CG2 4.13Å; I268-V273 HydrophobicContact CG2-CG2 3.9Å; I268-V289 HydrophobicContact CD1-CG1 3.85Å; I268-V289 HydrophobicContact CG1-CG1 3.86Å; I268-V289 HydrophobicContact CG2-CG1 3.99Å; I268-R290 WeakPolarHBondContact CG2-O 3.33Å; I268-F291 HydrophobicContact CG1-CD1 3.97Å; I268-F291 HydrophobicContact CG1-CE1 3.75Å
269A93.6Very high91.6Very high13 Ų1322.9 Ų22.911%0.10714%0.136CC..EExtended strand (participates in β ladder)trans-68.6161.2177.500000111.7G271 G272 R290 E292A269-G271 PolarHBondContact O-N 2.83Å; A269-G272 VanDerWaalsContact O-CA 3.27Å; A269-G272 WeakPolarHBondContact O-CA 3.45Å; A269-G272 PolarHBondContact O-N 2.83Å; A269-R290 HydrophobicContact CB-CG 4.08Å; A269-R290 PolarHBondContact N-O 3.03Å; A269-E292 HydrophobicContact CB-CG 4.35Å
270K89.2Confident90.6Very high128 Ų12829.1 Ų29.156%0.55717%0.165SC*.EExtended strand (participates in β ladder)trans-59.2129.4177.3-50.5-153.3-171.5-151.10110.9E229 G272E229-K270 HydrophobicContact CB-CB 4.23Å; E229-K270 HydrophobicContact CB-CD 4.1Å; E229-K270 HydrophobicContact CB-CG 3.89Å; E229-K270 VanDerWaalsContact CD-CE 3.45Å; E229-K270 CarbonylContact O-C 3.55Å; E229-K270 WeakPolarHBondContact O-CA 3.46Å; E229-K270 WeakPolarHBondContact OE1-CE 3.43Å; E229-K270 IonicContact OE1-NZ 3.61Å; E229-K270 PolarHBondContact OE1-NZ 3.36Å; E229-K270 VanDerWaalsContact OE2-CE 3.23Å; E229-K270 WeakPolarHBondContact OE2-CE 3.31Å; E229-K270 IonicContact OE2-NZ 3.75Å; K270-G272 PolarHBondContact O-N 3.49Å
271G86.6Confident89.8Confident10 Ų1028.9 Ų28.910%0.10316%0.164CC..EExtended strand (participates in β ladder)trans65.911.8-172.600000114.5E229 G231 A269 V273E229-G271 PolarHBondContact O-N 3.2Å; G231-G271 WeakPolarHBondContact O-CA 3.37Å; A269-G271 PolarHBondContact O-N 2.83Å; G271-V273 PolarHBondContact O-N 3.49Å
272G92Very high89.3Confident0 Ų032.3 Ų32.30%017%0.173CC..EExtended strand (participates in β ladder)trans-7416-168.400000116.4A269 K270 V289 R290A269-G272 VanDerWaalsContact O-CA 3.27Å; A269-G272 WeakPolarHBondContact O-CA 3.45Å; A269-G272 PolarHBondContact O-N 2.83Å; K270-G272 PolarHBondContact O-N 3.49Å; G272-V289 CarbonylContact O-C 3.48Å; G272-V289 VanDerWaalsContact O-CA 3.26Å; G272-V289 WeakPolarHBondContact O-CA 3.2Å; G272-R290 PolarHBondContact O-N 2.94Å
273V93.9Very high88.8Confident4 Ų432.8 Ų32.82%0.02417%0.174CC..EExtended strand (participates in β ladder)trans-125.4113.9176.8-172.50000110.9L228 D256 I259 I268 G271 V289 T426L228-V273 HydrophobicContact CD1-CG2 3.97Å; L228-V273 HydrophobicContact CD2-CB 4.34Å; L228-V273 HydrophobicContact CD2-CG2 3.76Å; D256-V273 HydrophobicContact CB-CB 4.04Å; D256-V273 HydrophobicContact CB-CG1 3.93Å; I259-V273 HydrophobicContact CB-CG1 4.24Å; I259-V273 HydrophobicContact CD1-CG1 3.81Å; I259-V273 HydrophobicContact CG2-CG1 4.06Å; I268-V273 HydrophobicContact CD1-CG2 4.13Å; I268-V273 HydrophobicContact CG2-CG2 3.9Å; G271-V273 PolarHBondContact O-N 3.49Å; V273-V289 HydrophobicContact CG2-CG1 4.48Å; V273-T426 PolarHBondContact O-OG1 3.2Å
274A92.7Very high88.2Confident0 Ų036.8 Ų36.80%020%0.196CC..EExtended strand (participates in β ladder)trans-116.1102.5179.300000110.7C276 A287 L288 F323 V326 A327 A428A274-C276 PolarHBondContact O-N 2.81Å; A274-A287 CarbonylContact O-C 3.58Å; A274-A287 VanDerWaalsContact O-CA 3.31Å; A274-A287 WeakPolarHBondContact O-CA 3.41Å; A274-L288 HydrophobicContact CB-CB 4.4Å; A274-L288 PolarHBondContact N-O 3.38Å; A274-L288 PolarHBondContact O-N 3.17Å; A274-F323 HydrophobicContact CB-CE2 4.08Å; A274-F323 HydrophobicContact CB-CZ 4.23Å; A274-V326 HydrophobicContact CB-CB 4.44Å; A274-V326 HydrophobicContact CB-CG1 4.03Å; A274-A327 HydrophobicContact CB-CB 3.99Å; A274-A428 HydrophobicContact CB-CB 3.88Å
275L92.4Very high88Confident5 Ų536.3 Ų36.33%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-67.7127.8173.7-65.6179.5000110.2I259 L277 A287 T426 Q432I259-L275 HydrophobicContact CD1-CD2 3.4Å; I259-L275 VanDerWaalsContact CD1-CD2 3.4Å; L275-L277 PolarHBondContact O-N 2.86Å; L275-A287 HydrophobicContact CD2-CB 4.09Å; L275-T426 HydrophobicContact CD1-CG2 3.69Å; L275-T426 HydrophobicContact CG-CG2 3.74Å; L275-Q432 PolarHBondContact O-NE2 2.81Å
276C90.9Very high88Confident15 Ų1537.9 Ų37.910%0.10120%0.202CC..EExtended strand (participates in β ladder)trans-81.4116.8178.5-58.80000110.8A274 N284 E286A274-C276 PolarHBondContact O-N 2.81Å; C276-N284 PolarHBondContact O-N 3.39Å; C276-E286 HydrophobicContact CB-CB 3.97Å; C276-E286 WeakPolarHBondContact CB-O 3.34Å; C276-E286 PolarHBondContact N-O 3.45Å
277L87.8Confident88Confident15 Ų1537.7 Ų37.78%0.07920%0.201CC..EExtended strand (participates in β ladder)trans-90.7137.1172-62.1-174.6000112.1L275 R282 R283 E429 Q432 V433 K436L275-L277 PolarHBondContact O-N 2.86Å; L277-R282 CarbonylContact C-O 3.56Å; L277-R282 WeakPolarHBondContact CA-O 3.25Å; L277-R283 HydrophobicContact CD2-CG 3.9Å; L277-E429 HydrophobicContact CD1-CG 3.73Å; L277-E429 HydrophobicContact CD2-CG 4.05Å; L277-E429 HydrophobicContact CG-CG 4.1Å; L277-Q432 HydrophobicContact CD1-CB 4.12Å; L277-Q432 VanDerWaalsContact N-OE1 3.09Å; L277-V433 HydrophobicContact CD1-CG2 3.45Å; L277-V433 VanDerWaalsContact CD1-CG2 3.45Å; L277-K436 PolarHBondContact O-NZ 3.39Å
278S83.9Confident88Confident28 Ų2837.2 Ų37.220%0.19620%0.198CC..PPolyproline II helixtrans-62.4173.6167.776.30000112.3Q280 G281 R282 K436S278-Q280 PolarHBondContact O-N 3.18Å; S278-Q280 VanDerWaalsContact O-N 3.13Å; S278-Q280 PolarHBondContact OG-N 3.42Å; S278-G281 PolarHBondContact O-N 3.29Å; S278-R282 PolarHBondContact N-O 3.32Å; S278-R282 PolarHBondContact OG-O 3.12Å; S278-K436 PolarHBondContact O-NZ 2.98Å
279A75.9Confident88.1Confident101 Ų10136.7 Ų36.784%0.83520%0.196SC*.THydrogen-bonded Turntrans-57.9-23.2173.900000113.3G281A279-G281 VanDerWaalsContact C-N 3.29Å; A279-G281 PolarHBondContact O-N 2.61Å
280Q73.1Confident88.2Confident130 Ų13039.1 Ų39.161%0.60720%0.202SC*.THydrogen-bonded Turntrans-88.86.8178.8-59.4158.413.300112.8S278 R282S278-Q280 PolarHBondContact O-N 3.18Å; S278-Q280 VanDerWaalsContact O-N 3.13Å; S278-Q280 PolarHBondContact OG-N 3.42Å; Q280-R282 HydrophobicContact CB-CG 4.46Å; Q280-R282 PolarHBondContact O-N 3.15Å
281G77.3Confident88.5Confident8 Ų833 Ų338%0.08218%0.176CC..SBendtrans64.824.2-175.500000114S278 A279 R347 R349S278-G281 PolarHBondContact O-N 3.29Å; A279-G281 VanDerWaalsContact C-N 3.29Å; A279-G281 PolarHBondContact O-N 2.61Å; G281-R347 PolarHBondContact O-NH1 2.85Å; G281-R347 PolarHBondContact O-NH2 3.12Å; G281-R349 PolarHBondContact O-NH1 2.98Å
282R81Confident88.9Confident154 Ų15436.7 Ų36.758%0.58119%0.19SC*.  trans-102.2150.7173.9-66.9178.3172.9135.4-7.6110L277 S278 Q280L277-R282 CarbonylContact C-O 3.56Å; L277-R282 WeakPolarHBondContact CA-O 3.25Å; S278-R282 PolarHBondContact N-O 3.32Å; S278-R282 PolarHBondContact OG-O 3.12Å; Q280-R282 HydrophobicContact CB-CG 4.46Å; Q280-R282 PolarHBondContact O-N 3.15Å
283R84.7Confident89Confident33 Ų3338.1 Ų38.113%0.12520%0.2CC..EExtended strand (participates in β ladder)trans-64.7132.6177.4-66.2176.1-172172.49.6110.9S254 L277 R424 S425 E429S254-R283 PolarHBondContact O-NH1 2.86Å; L277-R283 HydrophobicContact CD2-CG 3.9Å; R283-R424 PolarHBondContact NH1-O 3.38Å; R283-R424 PolarHBondContact NH2-O 2.82Å; R283-S425 PolarHBondContact NH2-OG 3.1Å; R283-E429 IonicContact CZ-OE2 2.79Å; R283-E429 IonicContact NE-OE1 3.27Å; R283-E429 IonicContact NE-OE2 2.7Å; R283-E429 IonicContact NH2-OE1 3.56Å; R283-E429 IonicContact NH2-OE2 3.57Å; R283-E429 PolarHBondContact NH2-OE2 2.84Å
284N84.1Confident89.1Confident85 Ų8541.2 Ų41.246%0.45522%0.216SC..EExtended strand (participates in β ladder)trans-84-10.2-177.7-151.938.2000113.8C276 E286C276-N284 PolarHBondContact O-N 3.39Å; N284-E286 HydrophobicContact CB-CG 4.47Å; N284-E286 PolarHBondContact ND2-OE2 3.45Å
285G89.5Confident89.1Confident7 Ų745.3 Ų45.37%0.07224%0.236CC..EExtended strand (participates in β ladder)trans79.621.3-164.600000113R248 G249 L250R248-G285 CarbonylContact C-O 3.54Å; G249-G285 PolarHBondContact N-O 3.37Å; L250-G285 PolarHBondContact N-O 3.25Å; L250-G285 WeakPolarHBondContact O-CA 3.18Å
286E93.6Very high89.2Confident34 Ų3445.5 Ų45.516%0.15924%0.236CC..EExtended strand (participates in β ladder)trans-127.4149.7175.6-58.4178.811100110.1A247 R248 C276 N284A247-E286 CarbonylContact O-C 3.38Å; A247-E286 VanDerWaalsContact O-CA 3.28Å; A247-E286 WeakPolarHBondContact O-CA 3.17Å; R248-E286 HydrophobicContact CB-CG 4.43Å; R248-E286 HydrophobicContact CG-CG 4.21Å; R248-E286 IonicContact CZ-OE1 2.87Å; R248-E286 IonicContact NE-OE1 2.67Å; R248-E286 PolarHBondContact NE-OE1 2.75Å; R248-E286 IonicContact NH2-OE1 2.71Å; R248-E286 PolarHBondContact NH2-OE1 2.94Å; C276-E286 HydrophobicContact CB-CB 3.97Å; C276-E286 WeakPolarHBondContact CB-O 3.34Å; C276-E286 PolarHBondContact N-O 3.45Å; N284-E286 HydrophobicContact CB-CG 4.47Å; N284-E286 PolarHBondContact ND2-OE2 3.45Å
287A95.7Very high89.5Confident0 Ų046.2 Ų46.20%024%0.237CC..EExtended strand (participates in β ladder)trans-146157.8171.300000111.1R246 A247 L250 I259 A274 L275R246-A287 CarbonylContact C-O 3.27Å; R246-A287 WeakPolarHBondContact CA-O 3.49Å; A247-A287 PolarHBondContact N-O 3.3Å; A247-A287 PolarHBondContact O-N 2.69Å; L250-A287 HydrophobicContact CD1-CB 3.6Å; I259-A287 HydrophobicContact CD1-CB 3.67Å; A274-A287 CarbonylContact O-C 3.58Å; A274-A287 VanDerWaalsContact O-CA 3.31Å; A274-A287 WeakPolarHBondContact O-CA 3.41Å; L275-A287 HydrophobicContact CD2-CB 4.09Å
288L95.6Very high89.8Confident0 Ų048.2 Ų48.20%025%0.246CC..EExtended strand (participates in β ladder)trans-108.5135.2168.1-71.7151.9000108.7V244 I245 R246 A274 A318 D322 F323 V326V244-L288 HydrophobicContact CG1-CD2 4.38Å; I245-L288 WeakPolarHBondContact O-CA 3.23Å; R246-L288 HydrophobicContact CB-CD2 3.79Å; R246-L288 HydrophobicContact CG-CD2 4.25Å; A274-L288 HydrophobicContact CB-CB 4.4Å; A274-L288 PolarHBondContact N-O 3.38Å; A274-L288 PolarHBondContact O-N 3.17Å; L288-A318 HydrophobicContact CD2-CB 3.63Å; L288-D322 HydrophobicContact CD1-CB 4.39Å; L288-D322 WeakPolarHBondContact CD1-O 3.33Å; L288-D322 HydrophobicContact CD2-CB 4.01Å; L288-F323 HydrophobicContact CB-CD2 3.92Å; L288-V326 HydrophobicContact CD1-CB 3.98Å; L288-V326 HydrophobicContact CD1-CG2 3.64Å
289V96.5Very high90.3Very high0 Ų047.8 Ų47.80%024%0.241CC..EExtended strand (participates in β ladder)trans-127.8129.7-178.9-173.40000109.9V244 I245 I259 F263 I268 G272 V273 F291V244-V289 WeakPolarHBondContact CA-O 3.48Å; I245-V289 HydrophobicContact CD1-CB 3.98Å; I245-V289 HydrophobicContact CD1-CG2 4.31Å; I245-V289 HydrophobicContact CG1-CB 3.69Å; I245-V289 HydrophobicContact CG1-CG2 4.35Å; I245-V289 PolarHBondContact N-O 2.74Å; I245-V289 PolarHBondContact O-N 3.43Å; I259-V289 HydrophobicContact CG2-CG2 3.66Å; F263-V289 HydrophobicContact CD2-CG2 4.43Å; F263-V289 HydrophobicContact CE2-CG2 4.17Å; I268-V289 HydrophobicContact CD1-CG1 3.85Å; I268-V289 HydrophobicContact CG1-CG1 3.86Å; I268-V289 HydrophobicContact CG2-CG1 3.99Å; G272-V289 CarbonylContact O-C 3.48Å; G272-V289 VanDerWaalsContact O-CA 3.26Å; G272-V289 WeakPolarHBondContact O-CA 3.2Å; V273-V289 HydrophobicContact CG2-CG1 4.48Å; V289-F291 HydrophobicContact CG1-CE1 4.19Å; V289-F291 HydrophobicContact CG1-CE2 4.25Å; V289-F291 HydrophobicContact CG1-CZ 3.94Å
290R95.9Very high91.3Very high64 Ų6443 Ų4324%0.24220%0.202CC..EExtended strand (participates in β ladder)trans-106.6116.1176.8177.4-169.4-180174.85.8109.1I239 I268 A269 G272 F323I239-R290 HydrophobicContact CG2-CG 4.28Å; I268-R290 WeakPolarHBondContact CG2-O 3.33Å; A269-R290 HydrophobicContact CB-CG 4.08Å; A269-R290 PolarHBondContact N-O 3.03Å; G272-R290 PolarHBondContact O-N 2.94Å; R290-F323 HydrophobicContact CB-CD2 4.04Å; R290-F323 HydrophobicContact CB-CE2 3.8Å; R290-F323 HydrophobicContact CB-CZ 4.18Å
291F96.6Very high92.4Very high1 Ų138.4 Ų38.40%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-85.1166.4173.2-62.8-76.5000112.1T243 I245 F263 L266 N267 I268 V289 S293 H296 R297 A300T243-F291 WeakPolarHBondContact CB-O 3.41Å; T243-F291 PolarHBondContact O-N 3.4Å; I245-F291 HydrophobicContact CD1-CE2 3.69Å; I245-F291 HydrophobicContact CD1-CZ 3.94Å; I245-F291 HydrophobicContact CG1-CE2 3.76Å; I245-F291 HydrophobicContact CG1-CZ 4.43Å; I245-F291 HydrophobicContact CG2-CE2 4.13Å; F263-F291 HydrophobicContact CB-CE1 4.14Å; F263-F291 HydrophobicContact CB-CZ 4.29Å; F263-F291 AromaticContact CD1-CZ 3.99Å; F263-F291 HydrophobicContact CD1-CZ 3.99Å; F263-F291 HydrophobicContact CD2-CZ 4.37Å; F263-F291 HydrophobicContact CE1-CZ 4.44Å; F263-F291 HydrophobicContact CG-CE1 4.31Å; F263-F291 AromaticContact CG-CZ 3.96Å; F263-F291 HydrophobicContact CG-CZ 3.96Å; L266-F291 HydrophobicContact CB-CD1 4.03Å; L266-F291 HydrophobicContact CB-CE1 3.76Å; L266-F291 HydrophobicContact CD1-CE1 4.38Å; N267-F291 CarbonylContact O-C 3.28Å; N267-F291 WeakPolarHBondContact O-CA 3.36Å; N267-F291 WeakPolarHBondContact O-CD1 3.32Å; I268-F291 HydrophobicContact CG1-CD1 3.97Å; I268-F291 HydrophobicContact CG1-CE1 3.75Å; V289-F291 HydrophobicContact CG1-CE1 4.19Å; V289-F291 HydrophobicContact CG1-CE2 4.25Å; V289-F291 HydrophobicContact CG1-CZ 3.94Å; F291-S293 VanDerWaalsContact C-N 3.28Å; F291-H296 HydrophobicContact CB-CB 3.75Å; F291-H296 HydrophobicContact CD1-CB 4.09Å; F291-H296 HydrophobicContact CG-CB 3.97Å; F291-R297 HydrophobicContact CD2-CB 4.17Å; F291-R297 HydrophobicContact CD2-CG 4.47Å; F291-A300 HydrophobicContact CD2-CB 4.33Å; F291-A300 HydrophobicContact CE1-CB 4.37Å; F291-A300 HydrophobicContact CE2-CB 3.35Å; F291-A300 HydrophobicContact CZ-CB 3.4Å
292E94.6Very high93.2Very high87 Ų8740.9 Ų40.941%0.40719%0.189SC..SBendtrans-72.3-22173.7-63.7-169142.900112.8K225 N267 A269K225-E292 VanDerWaalsContact CE-OE1 3.3Å; K225-E292 WeakPolarHBondContact CE-OE1 3.45Å; K225-E292 IonicContact NZ-OE1 2.99Å; K225-E292 PolarHBondContact NZ-OE1 2.96Å; N267-E292 HydrophobicContact CB-CB 4.17Å; N267-E292 HydrophobicContact CB-CG 3.85Å; N267-E292 WeakPolarHBondContact CB-OE2 3.45Å; N267-E292 PolarHBondContact ND2-OE2 3.4Å; N267-E292 PolarHBondContact O-N 3.1Å; A269-E292 HydrophobicContact CB-CG 4.35Å
293S94.1Very high93.8Very high30 Ų3033.7 Ų33.721%0.2116%0.162CC..SBendtrans-142.6159.8-176.774.70000113.7F291 E295 H296 R297F291-S293 VanDerWaalsContact C-N 3.28Å; S293-E295 VanDerWaalsContact C-N 3.31Å; S293-H296 PolarHBondContact O-N 3.1Å; S293-H296 WeakPolarHBondContact OG-CB 3.21Å; S293-H296 PolarHBondContact OG-CD2 2.85Å; S293-H296 VanDerWaalsContact OG-CD2 3.28Å; S293-H296 PolarHBondContact OG-N 3.31Å; S293-H296 VanDerWaalsContact OG-N 3.08Å; S293-H296 PolarHBondContact OG-ND1 2.85Å; S293-R297 PolarHBondContact O-N 2.83Å
294N95.1Very high94.2Very high68 Ų6834.8 Ų34.836%0.36417%0.169SC..Hα-helixtrans-62.9-37.6170.8-179.1-115000112.3S242 H296 R297 E298S242-N294 PolarHBondContact O-ND2 2.72Å; S242-N294 WeakPolarHBondContact OG-CB 3.18Å; N294-H296 PolarHBondContact O-N 2.81Å; N294-R297 PolarHBondContact ND2-NH2 3.01Å; N294-R297 WeakPolarHBondContact O-CB 3.31Å; N294-R297 PolarHBondContact O-N 3.24Å; N294-R297 VanDerWaalsContact O-N 3.12Å; N294-E298 PolarHBondContact O-N 2.83Å
295E92.8Very high94.5Very high86 Ų8638.1 Ų38.140%0.40218%0.175SC..Hα-helixtrans-61.8-43.7179.4-59.4177.9168.900111.1Q129 K159 S293 R297 E298 L299Q129-E295 PolarHBondContact NE2-OE2 2.67Å; K159-E295 WeakPolarHBondContact CE-OE2 3.13Å; K159-E295 IonicContact NZ-OE1 2.72Å; K159-E295 IonicContact NZ-OE2 3.87Å; K159-E295 PolarHBondContact NZ-OE2 3.17Å; S293-E295 VanDerWaalsContact C-N 3.31Å; E295-R297 VanDerWaalsContact C-N 3.31Å; E295-R297 PolarHBondContact O-N 3.12Å; E295-E298 PolarHBondContact O-N 3.32Å; E295-L299 WeakPolarHBondContact O-CG 3.4Å; E295-L299 PolarHBondContact O-N 3.23Å
296H95.5Very high94.7Very high9 Ų938.5 Ų38.54%0.04218%0.175CC..Hα-helixtrans-63.4-35.8174.6-62.2165000111.8R133 L266 N267 F291 S293 N294 L299 A300R133-H296 VanDerWaalsContact CZ-NE2 3.26Å; R133-H296 PolarHBondContact NE-NE2 3.32Å; R133-H296 PolarHBondContact NH2-NE2 2.93Å; L266-H296 HydrophobicContact CB-CB 4.36Å; N267-H296 PolarHBondContact N-ND1 3.43Å; F291-H296 HydrophobicContact CB-CB 3.75Å; F291-H296 HydrophobicContact CD1-CB 4.09Å; F291-H296 HydrophobicContact CG-CB 3.97Å; S293-H296 PolarHBondContact O-N 3.1Å; S293-H296 WeakPolarHBondContact OG-CB 3.21Å; S293-H296 PolarHBondContact OG-CD2 2.85Å; S293-H296 VanDerWaalsContact OG-CD2 3.28Å; S293-H296 PolarHBondContact OG-N 3.31Å; S293-H296 VanDerWaalsContact OG-N 3.08Å; S293-H296 PolarHBondContact OG-ND1 2.85Å; N294-H296 PolarHBondContact O-N 2.81Å; H296-L299 PolarHBondContact O-N 2.74Å; H296-A300 WeakPolarHBondContact O-CB 3.33Å; H296-A300 PolarHBondContact O-N 2.89Å
297R95.9Very high94.6Very high30 Ų3042 Ų4211%0.11319%0.19CC..Hα-helixtrans-62-46.2171.9-166.5-160.562.8-171.7-7111.7S241 S242 V244 I245 F291 S293 N294 E295 L299 A300 L301S241-R297 PolarHBondContact O-NH1 3.41Å; S242-R297 WeakPolarHBondContact O-CD 3.21Å; S242-R297 PolarHBondContact O-NE 3.49Å; S242-R297 VanDerWaalsContact O-NE 3.12Å; S242-R297 PolarHBondContact O-NH1 2.75Å; V244-R297 VanDerWaalsContact O-CD 3.23Å; V244-R297 WeakPolarHBondContact O-CD 3.41Å; I245-R297 HydrophobicContact CG2-CG 3.58Å; F291-R297 HydrophobicContact CD2-CB 4.17Å; F291-R297 HydrophobicContact CD2-CG 4.47Å; S293-R297 PolarHBondContact O-N 2.83Å; N294-R297 PolarHBondContact ND2-NH2 3.01Å; N294-R297 WeakPolarHBondContact O-CB 3.31Å; N294-R297 PolarHBondContact O-N 3.24Å; N294-R297 VanDerWaalsContact O-N 3.12Å; E295-R297 VanDerWaalsContact C-N 3.31Å; E295-R297 PolarHBondContact O-N 3.12Å; R297-L299 VanDerWaalsContact C-N 3.35Å; R297-A300 WeakPolarHBondContact O-CB 3.47Å; R297-A300 PolarHBondContact O-N 3.17Å; R297-L301 WeakPolarHBondContact O-CG 3.39Å; R297-L301 PolarHBondContact O-N 2.92Å
298E95Very high94.3Very high57 Ų5743 Ų4327%0.26620%0.195SC..Hα-helixtrans-69.5-31.5-179.3-64.2-58.8129.200112.6N294 E295 L301 K302 R317N294-E298 PolarHBondContact O-N 2.83Å; E295-E298 PolarHBondContact O-N 3.32Å; E298-L301 WeakPolarHBondContact OE1-CD1 3.49Å; E298-K302 PolarHBondContact O-N 2.85Å; E298-R317 IonicContact OE1-CZ 3.33Å; E298-R317 IonicContact OE1-NE 3.31Å; E298-R317 PolarHBondContact OE1-NE 2.74Å; E298-R317 IonicContact OE1-NH2 2.71Å; E298-R317 PolarHBondContact OE1-NH2 3.26Å; E298-R317 IonicContact OE2-CZ 3.27Å; E298-R317 IonicContact OE2-NE 3.06Å; E298-R317 IonicContact OE2-NH2 3.55Å; E298-R317 PolarHBondContact OE2-NH2 3.3Å
299L94.7Very high93.8Very high20 Ų2046.6 Ų46.611%0.10523%0.232CC..Hα-helixtrans-67-39.6167.1-68.7174.5000112.1Q129 R133 Q134 L266 E295 H296 R297 L301 K302Q129-L299 HydrophobicContact CB-CD1 4.2Å; R133-L299 HydrophobicContact CB-CD1 4.15Å; Q134-L299 HydrophobicContact CG-CD2 3.94Å; Q134-L299 PolarHBondContact NE2-O 2.87Å; L266-L299 HydrophobicContact CD1-CB 4.18Å; L266-L299 HydrophobicContact CD2-CB 3.56Å; L266-L299 HydrophobicContact CD2-CD1 3.71Å; L266-L299 HydrophobicContact CD2-CG 4.29Å; E295-L299 WeakPolarHBondContact O-CG 3.4Å; E295-L299 PolarHBondContact O-N 3.23Å; H296-L299 PolarHBondContact O-N 2.74Å; R297-L299 VanDerWaalsContact C-N 3.35Å; L299-L301 VanDerWaalsContact C-N 3.31Å; L299-L301 PolarHBondContact O-N 3.46Å; L299-K302 WeakPolarHBondContact O-CB 3.39Å; L299-K302 PolarHBondContact O-N 2.93Å; L299-K302 VanDerWaalsContact O-N 3.1Å
300A96.2Very high93.3Very high0 Ų053.4 Ų53.40%027%0.269CS..Hα-helixtrans-63.4-35.4176.600000112.6I245 F263 L266 F291 H296 R297 K302 R303I245-A300 HydrophobicContact CD1-CB 4.22Å; I245-A300 HydrophobicContact CG2-CB 4.4Å; F263-A300 HydrophobicContact CD1-CB 3.98Å; F263-A300 HydrophobicContact CE1-CB 3.84Å; L266-A300 HydrophobicContact CD1-CB 3.75Å; F291-A300 HydrophobicContact CD2-CB 4.33Å; F291-A300 HydrophobicContact CE1-CB 4.37Å; F291-A300 HydrophobicContact CE2-CB 3.35Å; F291-A300 HydrophobicContact CZ-CB 3.4Å; H296-A300 WeakPolarHBondContact O-CB 3.33Å; H296-A300 PolarHBondContact O-N 2.89Å; R297-A300 WeakPolarHBondContact O-CB 3.47Å; R297-A300 PolarHBondContact O-N 3.17Å; A300-K302 PolarHBondContact O-N 3.47Å; A300-R303 WeakPolarHBondContact O-CB 3.45Å; A300-R303 PolarHBondContact O-N 2.85Å
301L95.4Very high93.1Very high33 Ų3353.9 Ų53.917%0.17327%0.27CS..Hα-helixtrans-64.3-28.3174.1-67166.9000112.8I245 R297 E298 L299 R303 H304 V315 R317I245-L301 HydrophobicContact CG2-CD2 4.28Å; I245-L301 HydrophobicContact CG2-CG 4.5Å; R297-L301 WeakPolarHBondContact O-CG 3.39Å; R297-L301 PolarHBondContact O-N 2.92Å; E298-L301 WeakPolarHBondContact OE1-CD1 3.49Å; L299-L301 VanDerWaalsContact C-N 3.31Å; L299-L301 PolarHBondContact O-N 3.46Å; L301-R303 PolarHBondContact O-N 3.47Å; L301-H304 WeakPolarHBondContact O-CB 3.47Å; L301-H304 PolarHBondContact O-N 3.08Å; L301-V315 HydrophobicContact CD2-CG1 4.2Å; L301-R317 HydrophobicContact CD1-CG 3.5Å; L301-R317 VanDerWaalsContact CD1-CG 3.5Å; L301-R317 VanDerWaalsContact CD1-NE 3.26Å; L301-R317 HydrophobicContact CD2-CG 3.83Å; L301-R317 HydrophobicContact CG-CG 4.28Å
302K94.4Very high92.8Very high60 Ų6059.1 Ų59.126%0.26129%0.291SS..THydrogen-bonded Turntrans-70.9-7.8172.4-67.9178.2174.9179.90113.2E39 N40 A43 E298 L299 A300 H306E39-K302 PolarHBondContact O-NZ 3.16Å; N40-K302 WeakPolarHBondContact OD1-CE 3.35Å; N40-K302 PolarHBondContact OD1-NZ 3.09Å; A43-K302 HydrophobicContact CB-CB 4.13Å; E298-K302 PolarHBondContact O-N 2.85Å; L299-K302 WeakPolarHBondContact O-CB 3.39Å; L299-K302 PolarHBondContact O-N 2.93Å; L299-K302 VanDerWaalsContact O-N 3.1Å; A300-K302 PolarHBondContact O-N 3.47Å; K302-H306 PolarHBondContact O-NE2 3.03Å
303R94.5Very high92.8Very high3 Ų355 Ų551%0.01127%0.271CS..THydrogen-bonded Turntrans-92.414.9170.1-53.7-163-170.8176.15.1114.2R133 Q134 F262 F263 I264 A300 L301 R305 H306R133-R303 PolarHBondContact O-NH2 3.24Å; Q134-R303 VanDerWaalsContact OE1-NH2 3.09Å; F262-R303 HydrophobicContact CE1-CB 4.39Å; F262-R303 HydrophobicContact CZ-CB 4.31Å; F262-R303 PolarHBondContact O-NH1 3.15Å; F263-R303 VanDerWaalsContact C-NH1 3.26Å; F263-R303 VanDerWaalsContact CA-NH1 3.34Å; I264-R303 PolarHBondContact O-NH1 2.89Å; I264-R303 PolarHBondContact O-NH2 3.28Å; A300-R303 WeakPolarHBondContact O-CB 3.45Å; A300-R303 PolarHBondContact O-N 2.85Å; L301-R303 PolarHBondContact O-N 3.47Å; R303-R305 PolarHBondContact O-N 3.28Å; R303-H306 HydrophobicContact CB-CB 4.28Å; R303-H306 WeakPolarHBondContact CB-ND1 3.41Å; R303-H306 WeakPolarHBondContact O-CB 3.4Å; R303-H306 PolarHBondContact O-N 3.47Å; R303-H306 VanDerWaalsContact O-N 3.12Å
304H91.7Very high92.8Very high57 Ų5756 Ų5626%0.26427%0.273SS..THydrogen-bonded Turntrans-63.2121.9176-178.995000111L301 V315 Y316L301-H304 WeakPolarHBondContact O-CB 3.47Å; L301-H304 PolarHBondContact O-N 3.08Å; H304-V315 HydrophobicContact CB-CB 4.4Å; H304-V315 PolarHBondContact ND1-N 3.27Å; H304-V315 PolarHBondContact ND1-O 3.35Å; H304-Y316 AromaticContact CE1-CZ 3.96Å
305R91.8Very high92.9Very high154 Ų15452.9 Ų52.958%0.58126%0.256SS*.THydrogen-bonded Turntrans74.510.2-172.8-61.1162.1-174.9-159.4-6.8116.4R303 Y312 I313R303-R305 PolarHBondContact O-N 3.28Å; R305-Y312 HydrophobicContact CG-CD2 4.28Å; R305-I313 WeakPolarHBondContact CA-O 3.47Å; R305-I313 PolarHBondContact N-O 3.49Å
306H93.3Very high93Very high15 Ų1553.2 Ų53.27%0.06925%0.254CS..  trans-63.5153.7166.9-68.7-164.8000110.4G42 A43 E45 F262 K302 R303 Y312 I313G42-H306 PolarHBondContact O-CE1 3.08Å; A43-H306 PolarHBondContact O-NE2 3.36Å; E45-H306 VanDerWaalsContact CD-CA 3.45Å; E45-H306 HydrophobicContact CG-CB 4Å; E45-H306 VanDerWaalsContact CG-CG 3.48Å; E45-H306 WeakPolarHBondContact OE1-CA 3.37Å; E45-H306 WeakPolarHBondContact OE1-CB 3.25Å; E45-H306 IonicContact OE1-CG 2.72Å; F262-H306 HydrophobicContact CE2-CB 3.68Å; F262-H306 HydrophobicContact CZ-CB 3.76Å; K302-H306 PolarHBondContact O-NE2 3.03Å; R303-H306 HydrophobicContact CB-CB 4.28Å; R303-H306 WeakPolarHBondContact CB-ND1 3.41Å; R303-H306 WeakPolarHBondContact O-CB 3.4Å; R303-H306 PolarHBondContact O-N 3.47Å; R303-H306 VanDerWaalsContact O-N 3.12Å; H306-Y312 WeakPolarHBondContact O-CA 3.05Å; H306-I313 PolarHBondContact O-N 3.43Å
307F90.7Very high93Very high108 Ų10860 Ų6047%0.47428%0.28SS..EExtended strand (participates in β ladder)trans-92.8130.5-172.7-80.1-98.5000113.3E45 R311E45-F307 PolarHBondContact OE1-N 3.22Å; F307-R311 WeakPolarHBondContact CA-O 3.27Å
308M89.4Confident92.9Very high20 Ų2059 Ų5910%0.09928%0.278CS..EExtended strand (participates in β ladder)trans-108.894.3164.8-175.9-173.1-78.600107.9L250 P251 S254 D258 I259 F262 N310 R311 I313L250-M308 HydrophobicContact CD2-CE 3.57Å; L250-M308 HydrophobicContact CD2-SD 3.74Å; P251-M308 VanDerWaalsContact CD-SD 3.57Å; P251-M308 HydrophobicContact CG-CG 4.36Å; P251-M308 HydrophobicContact CG-SD 4.24Å; S254-M308 PolarHBondContact OG-SD 3.13Å; D258-M308 WeakPolarHBondContact O-CE 3.21Å; I259-M308 HydrophobicContact CG1-CE 4.29Å; F262-M308 HydrophobicContact CB-CE 3.38Å; F262-M308 HydrophobicContact CD1-CE 4.44Å; F262-M308 HydrophobicContact CD2-CB 4.06Å; F262-M308 HydrophobicContact CD2-CE 4.24Å; F262-M308 HydrophobicContact CG-CE 3.79Å; M308-N310 PolarHBondContact O-N 3.01Å; M308-R311 PolarHBondContact N-O 2.86Å; M308-R311 PolarHBondContact O-N 3.05Å; M308-I313 HydrophobicContact CB-CD1 3.84Å; M308-I313 HydrophobicContact CB-CG1 3.63Å; M308-I313 HydrophobicContact SD-CD1 4.47Å
309G85.2Confident92.9Very high76 Ų7658.8 Ų58.878%0.78428%0.281SS*.THydrogen-bonded Turntrans63.4-115.3-172.600000111.5
310N86.4Confident92.7Very high144 Ų14458 Ų5877%0.7728%0.277SS*.THydrogen-bonded Turntrans-99.511.9-178.271.7-3.1000114.8M308M308-N310 PolarHBondContact O-N 3.01Å
311R91Very high92.5Very high74 Ų7465.1 Ų65.128%0.27931%0.31SS..EExtended strand (participates in β ladder)trans-123.7137.3175.2-62.7-169.5177.4-178.3-8.5110.8G249 L250 P251 F307 M308G249-R311 WeakPolarHBondContact O-CB 3.41Å; G249-R311 WeakPolarHBondContact O-CD 3.17Å; L250-R311 PolarHBondContact O-NH1 3.39Å; P251-R311 HydrophobicContact CG-CG 4.46Å; F307-R311 WeakPolarHBondContact CA-O 3.27Å; M308-R311 PolarHBondContact N-O 2.86Å; M308-R311 PolarHBondContact O-N 3.05Å
312Y91.1Very high92.3Very high111 Ų11165.6 Ų65.644%0.43531%0.313SS..EExtended strand (participates in β ladder)trans-76.7142.7164.662.5-95.5000109.4R305 H306 E314R305-Y312 HydrophobicContact CG-CD2 4.28Å; H306-Y312 WeakPolarHBondContact O-CA 3.05Å; Y312-E314 HydrophobicContact CD2-CG 4.11Å; Y312-E314 HydrophobicContact CE2-CG 3.9Å
313I95.2Very high92.3Very high0 Ų062.9 Ų62.90%030%0.301CS..  trans-105.5121.3-177.3-56.8-51.2000110.4A247 R248 L250 F262 R305 H306 M308 V315A247-I313 HydrophobicContact CB-CG2 4.1Å; R248-I313 CarbonylContact O-C 3.59Å; R248-I313 WeakPolarHBondContact O-CA 3.4Å; L250-I313 HydrophobicContact CD2-CD1 3.86Å; L250-I313 HydrophobicContact CD2-CG1 4.4Å; L250-I313 HydrophobicContact CD2-CG2 4.37Å; L250-I313 HydrophobicContact CG-CD1 4.38Å; F262-I313 HydrophobicContact CD2-CG1 4.32Å; F262-I313 HydrophobicContact CE1-CB 4.06Å; F262-I313 HydrophobicContact CE1-CG1 4.42Å; F262-I313 HydrophobicContact CE1-CG2 3.92Å; F262-I313 HydrophobicContact CE2-CB 4.02Å; F262-I313 HydrophobicContact CE2-CG1 3.84Å; F262-I313 HydrophobicContact CZ-CB 3.57Å; F262-I313 HydrophobicContact CZ-CG1 3.91Å; F262-I313 HydrophobicContact CZ-CG2 3.97Å; R305-I313 WeakPolarHBondContact CA-O 3.47Å; R305-I313 PolarHBondContact N-O 3.49Å; H306-I313 PolarHBondContact O-N 3.43Å; M308-I313 HydrophobicContact CB-CD1 3.84Å; M308-I313 HydrophobicContact CB-CG1 3.63Å; M308-I313 HydrophobicContact SD-CD1 4.47Å; I313-V315 HydrophobicContact CG2-CG2 4.29Å; I313-V315 PolarHBondContact O-N 2.82Å
314E93.8Very high92.1Very high50 Ų5064.5 Ų64.523%0.23431%0.31CS..EExtended strand (participates in β ladder)trans-87.1111.5176.3-55.1-177.8140.600109.6A247 R248 Y312 Y316A247-E314 CarbonylContact C-O 3.6Å; A247-E314 WeakPolarHBondContact CA-O 3.49Å; R248-E314 HydrophobicContact CB-CB 4.3Å; R248-E314 PolarHBondContact N-O 3.17Å; R248-E314 PolarHBondContact O-N 3.31Å; Y312-E314 HydrophobicContact CD2-CG 4.11Å; Y312-E314 HydrophobicContact CE2-CG 3.9Å; E314-Y316 HydrophobicContact CB-CD2 4.33Å; E314-Y316 HydrophobicContact CB-CE2 3.5Å; E314-Y316 VanDerWaalsContact CB-CE2 3.5Å
315V96.4Very high91.8Very high3 Ų366.2 Ų66.22%0.01833%0.328CS..EExtended strand (participates in β ladder)trans-97.1132.3177.6-167.80000110.1I245 F262 F263 L301 H304 I313I245-V315 HydrophobicContact CB-CG1 4.05Å; I245-V315 HydrophobicContact CD1-CG1 3.67Å; I245-V315 HydrophobicContact CG1-CG1 4.46Å; I245-V315 HydrophobicContact CG2-CG1 4.01Å; F262-V315 HydrophobicContact CE1-CG2 4.36Å; F263-V315 HydrophobicContact CE1-CG2 4.19Å; F263-V315 HydrophobicContact CZ-CG1 4.38Å; F263-V315 HydrophobicContact CZ-CG2 4.01Å; L301-V315 HydrophobicContact CD2-CG1 4.2Å; H304-V315 HydrophobicContact CB-CB 4.4Å; H304-V315 PolarHBondContact ND1-N 3.27Å; H304-V315 PolarHBondContact ND1-O 3.35Å; I313-V315 HydrophobicContact CG2-CG2 4.29Å; I313-V315 PolarHBondContact O-N 2.82Å
316Y96.3Very high91.6Very high93 Ų9360 Ų6037%0.36531%0.307SS..EExtended strand (participates in β ladder)trans-135156.4178.8-61.3-77000111.2I245 R246 R248 H304 E314I245-Y316 CarbonylContact C-O 3.56Å; I245-Y316 WeakPolarHBondContact CA-O 3.46Å; I245-Y316 VanDerWaalsContact CB-O 3.25Å; I245-Y316 WeakPolarHBondContact CB-O 3.26Å; R246-Y316 PolarHBondContact N-O 3.35Å; R246-Y316 PolarHBondContact O-N 3.28Å; R248-Y316 HydrophobicContact CG-CD2 4.26Å; R248-Y316 HydrophobicContact CG-CE2 4.32Å; H304-Y316 AromaticContact CE1-CZ 3.96Å; E314-Y316 HydrophobicContact CB-CD2 4.33Å; E314-Y316 HydrophobicContact CB-CE2 3.5Å; E314-Y316 VanDerWaalsContact CB-CE2 3.5Å
317R95.4Very high91.4Very high153 Ų15359.5 Ų59.558%0.57731%0.305SS*.EExtended strand (participates in β ladder)trans-69.1145.8168.9-66.7-175.2-174.7115.61.7110.3E298 L301E298-R317 IonicContact OE1-CZ 3.33Å; E298-R317 IonicContact OE1-NE 3.31Å; E298-R317 PolarHBondContact OE1-NE 2.74Å; E298-R317 IonicContact OE1-NH2 2.71Å; E298-R317 PolarHBondContact OE1-NH2 3.26Å; E298-R317 IonicContact OE2-CZ 3.27Å; E298-R317 IonicContact OE2-NE 3.06Å; E298-R317 IonicContact OE2-NH2 3.55Å; E298-R317 PolarHBondContact OE2-NH2 3.3Å; L301-R317 HydrophobicContact CD1-CG 3.5Å; L301-R317 VanDerWaalsContact CD1-CG 3.5Å; L301-R317 VanDerWaalsContact CD1-NE 3.26Å; L301-R317 HydrophobicContact CD2-CG 3.83Å; L301-R317 HydrophobicContact CG-CG 4.28Å
318A93.8Very high91Very high9 Ų954.8 Ų54.87%0.07429%0.286CS..  trans-138.4175.3174.900000110.7V244 R246 L288 D322V244-A318 HydrophobicContact CG1-CB 4.03Å; V244-A318 PolarHBondContact O-N 3.41Å; V244-A318 VanDerWaalsContact O-N 3.08Å; R246-A318 HydrophobicContact CB-CB 4.01Å; L288-A318 HydrophobicContact CD2-CB 3.63Å; A318-D322 HydrophobicContact CB-CB 4.3Å
319T93.9Very high90.1Very high52 Ų5253.9 Ų53.932%0.31928%0.283SS..  trans-100165.5178.863.80000112.9S241 E321 D322 F323S241-T319 WeakPolarHBondContact OG-CA 3.34Å; T319-E321 VanDerWaalsContact C-N 3.27Å; T319-D322 WeakPolarHBondContact O-CB 3.45Å; T319-D322 PolarHBondContact O-N 3.36Å; T319-D322 WeakPolarHBondContact OG1-CB 3.4Å; T319-D322 PolarHBondContact OG1-N 2.94Å; T319-F323 PolarHBondContact O-N 3.37Å
320G91.7Very high89.6Confident2 Ų253.4 Ų53.42%0.02127%0.267CS..Hα-helixtrans-62.9-35.716700000112S241 F323 L324S241-G320 PolarHBondContact OG-N 3.06Å; G320-F323 WeakPolarHBondContact O-CB 3.27Å; G320-F323 PolarHBondContact O-N 3.33Å; G320-L324 WeakPolarHBondContact O-CG 3.48Å; G320-L324 PolarHBondContact O-N 3.03Å
321E91.3Very high89.2Confident151 Ų15148 Ų4871%0.70624%0.238SC*.Hα-helixtrans-63.6-43.4174.9-60.4173172.300112.2T319 F323 L324 S325T319-E321 VanDerWaalsContact C-N 3.27Å; E321-F323 VanDerWaalsContact C-N 3.31Å; E321-F323 PolarHBondContact O-N 3.22Å; E321-L324 PolarHBondContact O-N 3.42Å; E321-S325 WeakPolarHBondContact O-CB 3.43Å; E321-S325 PolarHBondContact O-N 3.15Å
322D91.5Very high88.8Confident43 Ų4349.9 Ų49.923%0.2325%0.254CS..Hα-helixtrans-52.9-50.7170.8-99.2-35.4000110R246 L288 A318 T319 S325R246-D322 IonicContact CZ-OD1 3.48Å; R246-D322 IonicContact CZ-OD2 2.71Å; R246-D322 VanDerWaalsContact NH1-CG 3.28Å; R246-D322 IonicContact NH1-OD1 3.22Å; R246-D322 PolarHBondContact NH1-OD1 3.48Å; R246-D322 IonicContact NH1-OD2 2.71Å; R246-D322 PolarHBondContact NH1-OD2 2.71Å; R246-D322 IonicContact NH2-OD1 2.89Å; R246-D322 PolarHBondContact NH2-OD1 3.43Å; R246-D322 IonicContact NH2-OD2 3.94Å; L288-D322 HydrophobicContact CD1-CB 4.39Å; L288-D322 WeakPolarHBondContact CD1-O 3.33Å; L288-D322 HydrophobicContact CD2-CB 4.01Å; A318-D322 HydrophobicContact CB-CB 4.3Å; T319-D322 WeakPolarHBondContact O-CB 3.45Å; T319-D322 PolarHBondContact O-N 3.36Å; T319-D322 WeakPolarHBondContact OG1-CB 3.4Å; T319-D322 PolarHBondContact OG1-N 2.94Å; D322-S325 PolarHBondContact O-N 3.24Å; D322-S325 PolarHBondContact O-OG 3.5Å
323F93.1Very high88.4Confident2 Ų250.4 Ų50.41%0.00926%0.26CS..Hα-helixtrans-61.7-51.6179.6-168.2-82.7000112I239 V244 A274 L288 R290 T319 G320 E321 S325 V326 A327I239-F323 HydrophobicContact CD1-CB 4.32Å; I239-F323 HydrophobicContact CD1-CD1 3.35Å; I239-F323 HydrophobicContact CD1-CE1 3.99Å; I239-F323 HydrophobicContact CD1-CG 4.11Å; V244-F323 HydrophobicContact CG1-CB 4.05Å; V244-F323 HydrophobicContact CG1-CD2 4.15Å; V244-F323 HydrophobicContact CG2-CB 4.47Å; A274-F323 HydrophobicContact CB-CE2 4.08Å; A274-F323 HydrophobicContact CB-CZ 4.23Å; L288-F323 HydrophobicContact CB-CD2 3.92Å; R290-F323 HydrophobicContact CB-CD2 4.04Å; R290-F323 HydrophobicContact CB-CE2 3.8Å; R290-F323 HydrophobicContact CB-CZ 4.18Å; T319-F323 PolarHBondContact O-N 3.37Å; G320-F323 WeakPolarHBondContact O-CB 3.27Å; G320-F323 PolarHBondContact O-N 3.33Å; E321-F323 VanDerWaalsContact C-N 3.31Å; E321-F323 PolarHBondContact O-N 3.22Å; F323-S325 VanDerWaalsContact C-N 3.28Å; F323-S325 PolarHBondContact O-N 2.99Å; F323-V326 PolarHBondContact O-N 3.06Å; F323-V326 VanDerWaalsContact O-N 3.09Å; F323-A327 HydrophobicContact CD1-CB 3.62Å; F323-A327 HydrophobicContact CE1-CB 3.32Å; F323-A327 HydrophobicContact CZ-CB 3.98Å; F323-A327 VanDerWaalsContact O-CB 3.26Å; F323-A327 WeakPolarHBondContact O-CB 3.33Å; F323-A327 PolarHBondContact O-N 3.04Å
324L90.5Very high87.8Confident38 Ų3850.4 Ų50.420%0.19926%0.261CS..Hα-helixtrans-57.5-40.7179.2-71.2169.1000111.7T234 D237 I239 G320 E321 V326 A327 A328T234-L324 WeakPolarHBondContact O-CD2 3.31Å; D237-L324 HydrophobicContact CB-CD2 4.19Å; I239-L324 HydrophobicContact CD1-CD2 3.67Å; I239-L324 HydrophobicContact CD1-CG 3.86Å; I239-L324 HydrophobicContact CG1-CD2 4.04Å; I239-L324 HydrophobicContact CG1-CG 4.17Å; G320-L324 WeakPolarHBondContact O-CG 3.48Å; G320-L324 PolarHBondContact O-N 3.03Å; E321-L324 PolarHBondContact O-N 3.42Å; L324-V326 PolarHBondContact O-N 3.32Å; L324-V326 VanDerWaalsContact O-N 3.1Å; L324-A327 PolarHBondContact O-N 3.36Å; L324-A328 HydrophobicContact CB-CB 4.36Å; L324-A328 HydrophobicContact CD2-CB 4.01Å; L324-A328 WeakPolarHBondContact O-CB 3.47Å; L324-A328 PolarHBondContact O-N 3.25Å
325S86.5Confident87.2Confident93 Ų9350.9 Ų50.965%0.6526%0.263SS*.Hα-helixtrans-60.8-21.5179.177.40000114.5E321 D322 F323E321-S325 WeakPolarHBondContact O-CB 3.43Å; E321-S325 PolarHBondContact O-N 3.15Å; D322-S325 PolarHBondContact O-N 3.24Å; D322-S325 PolarHBondContact O-OG 3.5Å; F323-S325 VanDerWaalsContact C-N 3.28Å; F323-S325 PolarHBondContact O-N 2.99Å
326V87.4Confident86.6Confident24 Ų2457.1 Ų57.115%0.14529%0.292CS..Hα-helixtrans-109.2-29.1-179.1-177.70000112.1A274 L288 F323 L324 Q432A274-V326 HydrophobicContact CB-CB 4.44Å; A274-V326 HydrophobicContact CB-CG1 4.03Å; L288-V326 HydrophobicContact CD1-CB 3.98Å; L288-V326 HydrophobicContact CD1-CG2 3.64Å; F323-V326 PolarHBondContact O-N 3.06Å; F323-V326 VanDerWaalsContact O-N 3.09Å; L324-V326 PolarHBondContact O-N 3.32Å; L324-V326 VanDerWaalsContact O-N 3.1Å; V326-Q432 VanDerWaalsContact CG1-NE2 3.35Å; V326-Q432 WeakPolarHBondContact O-CG 3.4Å; V326-Q432 PolarHBondContact O-NE2 3.02Å
327A87.9Confident86.1Confident3 Ų353 Ų533%0.02528%0.275CS..Hα-helixtrans-100.1-27.7-174.200000115.1C233 A274 F323 L324 A428 Q431C233-A327 HydrophobicContact CB-CB 4.19Å; A274-A327 HydrophobicContact CB-CB 3.99Å; F323-A327 HydrophobicContact CD1-CB 3.62Å; F323-A327 HydrophobicContact CE1-CB 3.32Å; F323-A327 HydrophobicContact CZ-CB 3.98Å; F323-A327 VanDerWaalsContact O-CB 3.26Å; F323-A327 WeakPolarHBondContact O-CB 3.33Å; F323-A327 PolarHBondContact O-N 3.04Å; L324-A327 PolarHBondContact O-N 3.36Å; A327-A428 HydrophobicContact CB-CB 4.24Å; A327-Q431 PolarHBondContact O-NE2 3.43Å
328A82.6Confident85.5Confident9 Ų946.4 Ų46.47%0.07425%0.252CS..EExtended strand (participates in β ladder)trans-94.5113.4-168.700000113.2T234 K235 L324T234-A328 WeakPolarHBondContact O-CB 3.34Å; K235-A328 HydrophobicContact CB-CB 4.47Å; K235-A328 WeakPolarHBondContact CE-O 3.49Å; K235-A328 HydrophobicContact CG-CB 3.74Å; L324-A328 HydrophobicContact CB-CB 4.36Å; L324-A328 HydrophobicContact CD2-CB 4.01Å; L324-A328 WeakPolarHBondContact O-CB 3.47Å; L324-A328 PolarHBondContact O-N 3.25Å
329G72Confident85Confident2 Ų249.8 Ų49.82%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-104.9169.5173.300000113
330S72.8Confident84.4Confident66 Ų6650.1 Ų50.146%0.46227%0.27SS..  trans-140.431.1178.655.40000111.5K235K235-S330 PolarHBondContact NZ-OG 2.99Å
331N79.6Confident83.2Confident29 Ų2958.5 Ų58.516%0.15531%0.309CS..  trans-103.6112.3-177.3-58.5-32.6000109.2E333 A334 Q335 I434 N435N331-E333 VanDerWaalsContact C-N 3.25Å; N331-E333 PolarHBondContact O-N 2.9Å; N331-A334 HydrophobicContact CB-CB 3.99Å; N331-A334 WeakPolarHBondContact O-CB 3.15Å; N331-A334 PolarHBondContact O-N 2.99Å; N331-A334 VanDerWaalsContact O-N 3.08Å; N331-Q335 PolarHBondContact O-N 3.18Å; N331-I434 HydrophobicContact CB-CG2 4.43Å; N331-I434 WeakPolarHBondContact ND2-CG2 3.36Å; N331-N435 PolarHBondContact ND2-OD1 3.25Å
332N81.8Confident81.9Confident114 Ų11456.4 Ų56.461%0.6131%0.311SS*.Hα-helixtrans-57.4-37.4-176-61.3-9.5000112.8Q335 Q336N332-Q335 PolarHBondContact O-N 3.02Å; N332-Q336 WeakPolarHBondContact O-CG 3.49Å; N332-Q336 PolarHBondContact O-N 2.95Å
333E82.1Confident81.5Confident122 Ų12255.1 Ų55.157%0.5731%0.305SS*.Hα-helixtrans-63.4-44.7176.4-176.9178-149.700111.8N331 Q335 Q336 F337 L381N331-E333 VanDerWaalsContact C-N 3.25Å; N331-E333 PolarHBondContact O-N 2.9Å; E333-Q335 VanDerWaalsContact C-N 3.31Å; E333-Q335 PolarHBondContact O-N 3.47Å; E333-Q336 PolarHBondContact O-N 3.29Å; E333-F337 WeakPolarHBondContact O-CB 3.41Å; E333-F337 PolarHBondContact O-N 3.09Å; E333-L381 HydrophobicContact CG-CD1 3.67Å
334A83Confident81.2Confident1 Ų155.3 Ų55.31%0.00831%0.306CS..Hα-helixtrans-62.8-39173.200000111.3N331 F337 L338 V430 Q431 I434N331-A334 HydrophobicContact CB-CB 3.99Å; N331-A334 WeakPolarHBondContact O-CB 3.15Å; N331-A334 PolarHBondContact O-N 2.99Å; N331-A334 VanDerWaalsContact O-N 3.08Å; A334-F337 PolarHBondContact O-N 2.98Å; A334-L338 VanDerWaalsContact O-CB 3.27Å; A334-L338 WeakPolarHBondContact O-CB 3.25Å; A334-L338 WeakPolarHBondContact O-CG 3.49Å; A334-L338 PolarHBondContact O-N 3.43Å; A334-V430 HydrophobicContact CB-CG1 4.38Å; A334-Q431 HydrophobicContact CB-CG 4.43Å; A334-I434 HydrophobicContact CB-CD1 3.72Å
335Q81.7Confident81.2Confident59 Ų5953.8 Ų53.828%0.27630%0.298SS..Hα-helixtrans-66.3-39.6175.9-72.1-178-2400112.5N331 N332 E333 F337 L338 S339N331-Q335 PolarHBondContact O-N 3.18Å; N332-Q335 PolarHBondContact O-N 3.02Å; E333-Q335 VanDerWaalsContact C-N 3.31Å; E333-Q335 PolarHBondContact O-N 3.47Å; Q335-F337 VanDerWaalsContact C-N 3.33Å; Q335-F337 PolarHBondContact O-N 3.24Å; Q335-L338 CarbonylContact O-C 3.6Å; Q335-L338 PolarHBondContact O-N 3.32Å; Q335-S339 WeakPolarHBondContact O-CB 3.3Å; Q335-S339 PolarHBondContact O-N 2.88Å; Q335-S339 PolarHBondContact O-OG 3.16Å
336Q84Confident81.5Confident135 Ų13549.3 Ų49.363%0.63127%0.267SS*.Hα-helixtrans-70.9-25.2176.4-71.21739.300113.9N332 E333 S339 R340N332-Q336 WeakPolarHBondContact O-CG 3.49Å; N332-Q336 PolarHBondContact O-N 2.95Å; E333-Q336 PolarHBondContact O-N 3.29Å; Q336-S339 PolarHBondContact O-OG 3.43Å; Q336-R340 PolarHBondContact O-NE 2.79Å
337F84.6Confident81.8Confident5 Ų548.4 Ų48.42%0.02226%0.261CS..Hα-helixtrans-75-44.7169.2180-100.4000111.2E333 A334 Q335 I345 G379 L381 F395 L397 V430E333-F337 WeakPolarHBondContact O-CB 3.41Å; E333-F337 PolarHBondContact O-N 3.09Å; A334-F337 PolarHBondContact O-N 2.98Å; Q335-F337 VanDerWaalsContact C-N 3.33Å; Q335-F337 PolarHBondContact O-N 3.24Å; F337-I345 HydrophobicContact CE1-CG2 4.12Å; F337-I345 HydrophobicContact CZ-CG2 4.46Å; F337-G379 WeakPolarHBondContact CE2-O 3.34Å; F337-L381 HydrophobicContact CB-CD2 3.77Å; F337-L381 HydrophobicContact CD1-CB 4.4Å; F337-L381 HydrophobicContact CD1-CD2 3.92Å; F337-L381 HydrophobicContact CD2-CB 3.44Å; F337-L381 VanDerWaalsContact CD2-CB 3.44Å; F337-L381 HydrophobicContact CD2-CD2 4.16Å; F337-L381 HydrophobicContact CD2-CG 4.44Å; F337-L381 HydrophobicContact CE1-CB 4.49Å; F337-L381 HydrophobicContact CE2-CB 3.53Å; F337-L381 HydrophobicContact CG-CB 3.89Å; F337-L381 HydrophobicContact CG-CD2 3.71Å; F337-L381 HydrophobicContact CG-CG 4.47Å; F337-L381 HydrophobicContact CZ-CB 4.09Å; F337-F395 HydrophobicContact CE1-CB 3.74Å; F337-F395 HydrophobicContact CE2-CB 4.42Å; F337-F395 HydrophobicContact CZ-CB 3.5Å; F337-L397 HydrophobicContact CD1-CD2 4.15Å; F337-L397 HydrophobicContact CD2-CD1 4.11Å; F337-L397 HydrophobicContact CD2-CD2 4.44Å; F337-L397 HydrophobicContact CD2-CG 4.15Å; F337-L397 HydrophobicContact CE1-CD2 3.49Å; F337-L397 VanDerWaalsContact CE1-CD2 3.49Å; F337-L397 HydrophobicContact CE1-CG 4.18Å; F337-L397 HydrophobicContact CE2-CD1 4.03Å; F337-L397 HydrophobicContact CE2-CD2 3.86Å; F337-L397 HydrophobicContact CE2-CG 3.57Å; F337-L397 HydrophobicContact CZ-CD1 4.36Å; F337-L397 HydrophobicContact CZ-CD2 3.32Å; F337-L397 HydrophobicContact CZ-CG 3.57Å; F337-L397 WeakPolarHBondContact O-CD1 3.27Å; F337-V430 HydrophobicContact CD1-CG1 4.27Å; F337-V430 HydrophobicContact CE1-CG2 4.3Å
338L84.1Confident82.1Confident16 Ų1648.2 Ų48.28%0.08426%0.259CS..Hα-helixtrans-82.9-13.7-176.6-64.8176.1000114.7I232 A334 Q335 R340 I345 T427 V430 Q431I232-L338 HydrophobicContact CD1-CB 3.66Å; I232-L338 HydrophobicContact CG1-CB 3.81Å; A334-L338 VanDerWaalsContact O-CB 3.27Å; A334-L338 WeakPolarHBondContact O-CB 3.25Å; A334-L338 WeakPolarHBondContact O-CG 3.49Å; A334-L338 PolarHBondContact O-N 3.43Å; Q335-L338 CarbonylContact O-C 3.6Å; Q335-L338 PolarHBondContact O-N 3.32Å; L338-R340 PolarHBondContact O-N 2.7Å; L338-I345 HydrophobicContact CD2-CD1 3.46Å; L338-I345 VanDerWaalsContact CD2-CD1 3.46Å; L338-I345 HydrophobicContact CD2-CG1 4.45Å; L338-T427 HydrophobicContact CD2-CG2 4.06Å; L338-V430 HydrophobicContact CD1-CB 4.4Å; L338-V430 HydrophobicContact CD1-CG1 4.39Å; L338-V430 HydrophobicContact CD2-CB 4.42Å; L338-V430 HydrophobicContact CD2-CG2 4.16Å; L338-V430 HydrophobicContact CG-CG1 4.5Å; L338-Q431 HydrophobicContact CD1-CG 4.08Å
339S82.9Confident82.6Confident80 Ų8049.9 Ų49.956%0.55926%0.264SS*.  trans-75.513.5-178.866.40000114.2Q335 Q336Q335-S339 WeakPolarHBondContact O-CB 3.3Å; Q335-S339 PolarHBondContact O-N 2.88Å; Q335-S339 PolarHBondContact O-OG 3.16Å; Q336-S339 PolarHBondContact O-OG 3.43Å
340R80.5Confident83.5Confident59 Ų5951.3 Ų51.322%0.22328%0.278CS..SBendtrans-103117.8178.9-51.5-169.9-155.3158.217107Q336 L338 V343 D375 N378Q336-R340 PolarHBondContact O-NE 2.79Å; L338-R340 PolarHBondContact O-N 2.7Å; R340-V343 HydrophobicContact CB-CG1 4.48Å; R340-V343 WeakPolarHBondContact O-CG2 3.42Å; R340-D375 WeakPolarHBondContact CD-OD2 3.31Å; R340-D375 IonicContact CZ-OD2 3.37Å; R340-D375 IonicContact NE-OD2 2.79Å; R340-D375 IonicContact NH1-OD2 3.53Å; R340-D375 PolarHBondContact NH1-OD2 2.92Å; R340-N378 VanDerWaalsContact CZ-O 3.31Å; R340-N378 VanDerWaalsContact NH1-C 3.34Å; R340-N378 PolarHBondContact NH1-O 3.12Å; R340-N378 PolarHBondContact NH2-O 3.5Å
341E66.3Low84.6Confident178 Ų17848.4 Ų48.483%0.83226%0.258SS*.THydrogen-bonded Turntrans-72.9148.6-167.5-59.9-172.1161.900112V343E341-V343 PolarHBondContact O-N 3.32Å
342S64.8Low85.2Confident106 Ų10647.7 Ų47.774%0.74126%0.255SS*.THydrogen-bonded Turntrans61.610.5170.2-54.80000117.9
343V82.5Confident85.7Confident17 Ų1749.9 Ų49.910%0.10326%0.256CS..PPolyproline II helixtrans-79.9148.7175.5-61.30000113.2R340 E341 V374 L397 M398R340-V343 HydrophobicContact CB-CG1 4.48Å; R340-V343 WeakPolarHBondContact O-CG2 3.42Å; E341-V343 PolarHBondContact O-N 3.32Å; V343-V374 HydrophobicContact CG1-CB 4.49Å; V343-V374 HydrophobicContact CG1-CG1 4.24Å; V343-V374 HydrophobicContact CG1-CG2 4.02Å; V343-L397 HydrophobicContact CB-CB 4.4Å; V343-L397 HydrophobicContact CG2-CB 4.45Å; V343-L397 HydrophobicContact CG2-CD1 4.32Å; V343-L397 HydrophobicContact CG2-CD2 3.78Å; V343-L397 HydrophobicContact CG2-CG 4.4Å; V343-M398 WeakPolarHBondContact CA-O 3.47Å; V343-M398 WeakPolarHBondContact CB-O 3.37Å
344V86.9Confident86.1Confident6 Ų650.8 Ų50.84%0.03626%0.264CS..EExtended strand (participates in β ladder)trans-97134.7171.5-178.40000109.6M398 A404 R424V344-M398 HydrophobicContact CB-CB 4.48Å; V344-M398 PolarHBondContact N-O 2.88Å; V344-M398 PolarHBondContact O-N 3.21Å; V344-A404 HydrophobicContact CB-CB 3.88Å; V344-A404 HydrophobicContact CG1-CB 3.56Å; V344-A404 HydrophobicContact CG2-CB 4.49Å; V344-R424 HydrophobicContact CG1-CG 4.49Å
345I91.5Very high86.5Confident5 Ų551.7 Ų51.73%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-99.5129.1-174.8-51.2159.2000110.2F337 L338 F395 L397 S425 T427 V430F337-I345 HydrophobicContact CE1-CG2 4.12Å; F337-I345 HydrophobicContact CZ-CG2 4.46Å; L338-I345 HydrophobicContact CD2-CD1 3.46Å; L338-I345 VanDerWaalsContact CD2-CD1 3.46Å; L338-I345 HydrophobicContact CD2-CG1 4.45Å; I345-F395 HydrophobicContact CG2-CB 4.2Å; I345-F395 HydrophobicContact CG2-CD1 3.94Å; I345-F395 HydrophobicContact CG2-CG 4.49Å; I345-L397 HydrophobicContact CG1-CD2 3.92Å; I345-S425 PolarHBondContact O-N 2.84Å; I345-T427 HydrophobicContact CD1-CG2 4.08Å; I345-V430 HydrophobicContact CD1-CG2 4.16Å; I345-V430 HydrophobicContact CG2-CG2 3.95Å
346I92.7Very high87.1Confident0 Ų052.8 Ų52.80%028%0.281CS..EExtended strand (participates in β ladder)trans-111127.6169.9-65.2178.9000109.6F395 V396 M398 A404 A407 L408 L422 F423I346-F395 CarbonylContact O-C 3.49Å; I346-F395 WeakPolarHBondContact O-CA 3.03Å; I346-V396 PolarHBondContact N-O 2.63Å; I346-V396 PolarHBondContact O-N 3.37Å; I346-M398 HydrophobicContact CD1-CG 3.65Å; I346-M398 HydrophobicContact CD1-SD 4.13Å; I346-M398 HydrophobicContact CG1-CG 4Å; I346-A404 HydrophobicContact CD1-CB 4.29Å; I346-A407 HydrophobicContact CD1-CB 3.42Å; I346-A407 VanDerWaalsContact CD1-CB 3.42Å; I346-L408 HydrophobicContact CD1-CD2 4.28Å; I346-L408 HydrophobicContact CD1-CG 4.01Å; I346-L408 HydrophobicContact CG1-CD2 4.38Å; I346-L408 HydrophobicContact CG1-CG 4.46Å; I346-L408 HydrophobicContact CG2-CD2 4.34Å; I346-L422 HydrophobicContact CG2-CB 4.26Å; I346-L422 HydrophobicContact CG2-CD2 4.31Å; I346-F423 CarbonylContact C-O 3.44Å; I346-F423 WeakPolarHBondContact CA-O 3.45Å
347R92.9Very high87.6Confident4 Ų447.2 Ų47.22%0.01526%0.258CS..EExtended strand (participates in β ladder)trans-89.5123.8167.6-175.5177.9179.1-167.4-0.7110G281 R349 D393 A394 F395 L422 F423 S425 E429G281-R347 PolarHBondContact O-NH1 2.85Å; G281-R347 PolarHBondContact O-NH2 3.12Å; R347-R349 HydrophobicContact CG-CG 4.21Å; R347-D393 IonicContact CZ-OD2 3.34Å; R347-D393 IonicContact NE-OD2 2.72Å; R347-D393 IonicContact NH2-OD2 3.21Å; R347-D393 PolarHBondContact NH2-OD2 3.27Å; R347-A394 CarbonylContact C-O 3.58Å; R347-A394 WeakPolarHBondContact CA-O 3.14Å; R347-F395 HydrophobicContact CB-CD1 3.69Å; R347-F395 HydrophobicContact CB-CE1 3.58Å; R347-F395 HydrophobicContact CG-CD1 3.98Å; R347-F395 HydrophobicContact CG-CE1 3.6Å; R347-F395 HydrophobicContact CG-CZ 4.08Å; R347-L422 WeakPolarHBondContact O-CA 3.47Å; R347-F423 PolarHBondContact N-O 2.84Å; R347-F423 PolarHBondContact O-N 2.83Å; R347-S425 WeakPolarHBondContact CB-OG 3.42Å; R347-E429 WeakPolarHBondContact CD-OE1 3.31Å; R347-E429 IonicContact CZ-OE1 2.72Å; R347-E429 IonicContact NH1-OE1 2.96Å; R347-E429 PolarHBondContact NH1-OE1 3.04Å
348M94.4Very high88Confident0 Ų052.9 Ų52.90%028%0.283CS..EExtended strand (participates in β ladder)trans-91.9142.2167.2-50.3-179.186.800109.1L351 I360 F363 F364 D393 A394 V396 I415 I420 E421 L422M348-L351 HydrophobicContact CB-CD1 4.13Å; M348-L351 HydrophobicContact CB-CD2 4.46Å; M348-L351 HydrophobicContact CB-CG 4.27Å; M348-L351 HydrophobicContact CE-CD2 4Å; M348-L351 HydrophobicContact SD-CD1 4.47Å; M348-L351 HydrophobicContact SD-CD2 4.25Å; M348-I360 HydrophobicContact CE-CG1 4.13Å; M348-I360 HydrophobicContact CE-CG2 3.99Å; M348-I360 HydrophobicContact SD-CB 4.34Å; M348-I360 HydrophobicContact SD-CD1 3.85Å; M348-I360 HydrophobicContact SD-CG1 3.93Å; M348-I360 HydrophobicContact SD-CG2 3.52Å; M348-I360 VanDerWaalsContact SD-CG2 3.52Å; M348-F363 HydrophobicContact CE-CD1 3.79Å; M348-F363 HydrophobicContact CE-CE1 3.92Å; M348-F364 HydrophobicContact CE-CE2 3.57Å; M348-F364 HydrophobicContact CE-CZ 3.78Å; M348-F364 HydrophobicContact CG-CE2 4.39Å; M348-F364 HydrophobicContact CG-CZ 4.28Å; M348-F364 HydrophobicContact SD-CE2 3.69Å; M348-F364 HydrophobicContact SD-CZ 4.11Å; M348-D393 VanDerWaalsContact O-CA 3.3Å; M348-D393 WeakPolarHBondContact O-CA 3.44Å; M348-A394 PolarHBondContact N-O 3.46Å; M348-A394 PolarHBondContact O-N 2.8Å; M348-V396 HydrophobicContact CG-CG2 4.07Å; M348-V396 HydrophobicContact SD-CG2 3.64Å; M348-I415 HydrophobicContact CE-CD1 4.09Å; M348-I420 HydrophobicContact CB-CG2 4.18Å; M348-I420 HydrophobicContact CE-CG2 3.98Å; M348-E421 CarbonylContact C-O 3.38Å; M348-L422 HydrophobicContact CB-CD2 4.18Å; M348-L422 HydrophobicContact CE-CD2 4.07Å; M348-L422 HydrophobicContact CG-CD2 3.75Å
349R92.7Very high88.4Confident43 Ų4357.6 Ų57.616%0.16230%0.3CS..EExtended strand (participates in β ladder)trans-135.7153.3170.4-47.3-163.773.2176.57.5111.1G281 R347 G392 D393 I420 E421 F423G281-R349 PolarHBondContact O-NH1 2.98Å; R347-R349 HydrophobicContact CG-CG 4.21Å; R349-G392 CarbonylContact C-O 3.59Å; R349-G392 WeakPolarHBondContact CA-O 3.29Å; R349-D393 WeakPolarHBondContact CB-OD1 3.18Å; R349-D393 WeakPolarHBondContact CG-OD1 3.46Å; R349-D393 IonicContact CZ-OD1 2.9Å; R349-D393 IonicContact CZ-OD2 3.36Å; R349-D393 VanDerWaalsContact CZ-OD2 3.27Å; R349-D393 VanDerWaalsContact NE-CG 3.28Å; R349-D393 IonicContact NE-OD1 3.15Å; R349-D393 PolarHBondContact NE-OD1 2.9Å; R349-D393 IonicContact NE-OD2 2.65Å; R349-D393 PolarHBondContact NE-OD2 2.78Å; R349-D393 IonicContact NH2-OD1 3.91Å; R349-D393 PolarHBondContact NH2-OD1 3.31Å; R349-D393 IonicContact NH2-OD2 2.8Å; R349-D393 PolarHBondContact NH2-OD2 3.27Å; R349-I420 WeakPolarHBondContact O-CA 3.44Å; R349-E421 HydrophobicContact CB-CB 4.28Å; R349-E421 PolarHBondContact N-O 2.72Å; R349-E421 PolarHBondContact O-N 2.6Å; R349-F423 HydrophobicContact CB-CE2 4.46Å; R349-F423 HydrophobicContact CG-CD2 4.14Å; R349-F423 HydrophobicContact CG-CE2 3.88Å
350G92.6Very high89Confident32 Ų3253.8 Ų53.833%0.3327%0.273SS..SBendtrans84.410.5-179.500000114.5G392 R418G350-G392 PolarHBondContact N-O 2.76Å; G350-R418 WeakPolarHBondContact O-CB 2.98Å; G350-R418 VanDerWaalsContact O-CG 3.31Å; G350-R418 WeakPolarHBondContact O-CG 3.48Å
351L94.2Very high89.7Confident5 Ų552.1 Ų52.13%0.02627%0.268CS..  trans-54.5140.6177.4-67.4168.5000111.5M348 C355 I360 F382 G392 A394 I415 I420M348-L351 HydrophobicContact CB-CD1 4.13Å; M348-L351 HydrophobicContact CB-CD2 4.46Å; M348-L351 HydrophobicContact CB-CG 4.27Å; M348-L351 HydrophobicContact CE-CD2 4Å; M348-L351 HydrophobicContact SD-CD1 4.47Å; M348-L351 HydrophobicContact SD-CD2 4.25Å; L351-C355 HydrophobicContact CB-CB 4.4Å; L351-I360 HydrophobicContact CD1-CD1 3.91Å; L351-I360 HydrophobicContact CD2-CD1 4.14Å; L351-I360 HydrophobicContact CD2-CG1 4.16Å; L351-F382 HydrophobicContact CD1-CE1 4.41Å; L351-G392 WeakPolarHBondContact CB-O 3.44Å; L351-G392 PolarHBondContact N-O 3.1Å; L351-A394 HydrophobicContact CD1-CB 3.48Å; L351-A394 VanDerWaalsContact CD1-CB 3.48Å; L351-I415 HydrophobicContact CD2-CD1 3.9Å; L351-I420 HydrophobicContact CD2-CD1 3.92Å; L351-I420 HydrophobicContact CD2-CG1 4.49Å; L351-I420 HydrophobicContact CG-CD1 4.45Å
352P92.6Very high90.9Very high15 Ų1546.7 Ų46.710%0.09724%0.243CC..  trans-54.1143.4165.9-23.232.9000111.3D354 C355 I415 R418P352-D354 WeakPolarHBondContact CB-OD1 3.43Å; P352-D354 PolarHBondContact O-N 2.85Å; P352-C355 HydrophobicContact CB-CB 4.26Å; P352-C355 WeakPolarHBondContact O-CB 3.23Å; P352-C355 PolarHBondContact O-N 2.74Å; P352-I415 HydrophobicContact CG-CG2 4.16Å; P352-I415 WeakPolarHBondContact CG-O 3.41Å; P352-R418 HydrophobicContact CG-CB 4.25Å; P352-R418 HydrophobicContact CG-CG 3.95Å
353Y92Very high92.3Very high160 Ų16042.2 Ų42.263%0.62721%0.21SC*.THydrogen-bonded Turntrans-69.9-11.6-177.9-57.6-46.1000113.6A390Y353-A390 HydrophobicContact CD1-CB 4.37Å
354D91.9Very high92.8Very high140 Ų14041.4 Ų41.475%0.74921%0.205SC*.THydrogen-bonded Turntrans-102.67.2174.158.6-37.7000113.1P352P352-D354 WeakPolarHBondContact CB-OD1 3.43Å; P352-D354 PolarHBondContact O-N 2.85Å
355C91.9Very high93Very high21 Ų2146.1 Ų46.114%0.14223%0.227CC..  trans-69.7133179.6-167.70000112.1L351 P352L351-C355 HydrophobicContact CB-CB 4.4Å; P352-C355 HydrophobicContact CB-CB 4.26Å; P352-C355 WeakPolarHBondContact O-CB 3.23Å; P352-C355 PolarHBondContact O-N 2.74Å
356T93.5Very high92.7Very high82 Ų8248.6 Ų48.650%0.50325%0.245SC..  trans-103.7162.1179.358.90000112.2K358 R359 I360T356-K358 PolarHBondContact O-N 3.27Å; T356-R359 PolarHBondContact O-N 3.02Å; T356-R359 PolarHBondContact OG1-N 3.25Å; T356-I360 PolarHBondContact O-N 3.3Å
357A93.7Very high92.1Very high18 Ų1852 Ų5215%0.14928%0.279CS..Hα-helixtrans-55.7-51.4176.600000111.5R359 I360 L361 E377 I380 F382A357-R359 PolarHBondContact O-N 2.59Å; A357-R359 VanDerWaalsContact O-N 3.14Å; A357-I360 WeakPolarHBondContact O-CA 3.36Å; A357-I360 WeakPolarHBondContact O-CB 3.31Å; A357-I360 PolarHBondContact O-N 3.37Å; A357-L361 PolarHBondContact O-N 2.72Å; A357-E377 HydrophobicContact CB-CB 3.85Å; A357-E377 HydrophobicContact CB-CG 3.7Å; A357-E377 WeakPolarHBondContact CB-OE1 3.46Å; A357-I380 HydrophobicContact CB-CD1 4.07Å; A357-I380 WeakPolarHBondContact O-CD1 3.41Å; A357-F382 HydrophobicContact CB-CE2 4.06Å
358K93.7Very high91.2Very high123 Ų12361.4 Ų61.454%0.53532%0.324SS..Hα-helixtrans-47.3-40.3170.1-168.4-179.8-174.1-105.30114.4T356 I360 L361 E362 E377T356-K358 PolarHBondContact O-N 3.27Å; K358-I360 VanDerWaalsContact C-N 3.3Å; K358-I360 PolarHBondContact O-N 3.49Å; K358-L361 WeakPolarHBondContact O-CB 3.49Å; K358-L361 PolarHBondContact O-N 2.79Å; K358-E362 WeakPolarHBondContact CE-OE1 3.33Å; K358-E362 IonicContact NZ-OE1 2.72Å; K358-E362 PolarHBondContact NZ-OE1 3.39Å; K358-E362 WeakPolarHBondContact O-CG 3.25Å; K358-E362 PolarHBondContact O-N 3.36Å; K358-E377 PolarHBondContact N-OE1 3.48Å
359R93.3Very high90.4Very high116 Ų11665.3 Ų65.344%0.43835%0.345SS..Hα-helixtrans-72.1-25.8-179-170.455.9179.8177.56112.9T356 A357 E362 F363 I415T356-R359 PolarHBondContact O-N 3.02Å; T356-R359 PolarHBondContact OG1-N 3.25Å; A357-R359 PolarHBondContact O-N 2.59Å; A357-R359 VanDerWaalsContact O-N 3.14Å; R359-E362 WeakPolarHBondContact CD-OE2 3.32Å; R359-E362 IonicContact CZ-OE2 3.48Å; R359-E362 IonicContact NE-OE2 2.86Å; R359-E362 IonicContact NH1-OE2 3.91Å; R359-E362 PolarHBondContact NH1-OE2 3.02Å; R359-F363 WeakPolarHBondContact O-CB 3.46Å; R359-F363 PolarHBondContact O-N 3.03Å; R359-I415 HydrophobicContact CG-CG2 3.73Å
360I94.6Very high89.8Confident0 Ų064.9 Ų64.90%035%0.353CS..Hα-helixtrans-75.3-37.7170.4-69.7171.3000110.8M348 L351 T356 A357 K358 F363 F364 I380 F382 V396M348-I360 HydrophobicContact CE-CG1 4.13Å; M348-I360 HydrophobicContact CE-CG2 3.99Å; M348-I360 HydrophobicContact SD-CB 4.34Å; M348-I360 HydrophobicContact SD-CD1 3.85Å; M348-I360 HydrophobicContact SD-CG1 3.93Å; M348-I360 HydrophobicContact SD-CG2 3.52Å; M348-I360 VanDerWaalsContact SD-CG2 3.52Å; L351-I360 HydrophobicContact CD1-CD1 3.91Å; L351-I360 HydrophobicContact CD2-CD1 4.14Å; L351-I360 HydrophobicContact CD2-CG1 4.16Å; T356-I360 PolarHBondContact O-N 3.3Å; A357-I360 WeakPolarHBondContact O-CA 3.36Å; A357-I360 WeakPolarHBondContact O-CB 3.31Å; A357-I360 PolarHBondContact O-N 3.37Å; K358-I360 VanDerWaalsContact C-N 3.3Å; K358-I360 PolarHBondContact O-N 3.49Å; I360-F363 WeakPolarHBondContact O-CB 3.43Å; I360-F363 PolarHBondContact O-N 2.68Å; I360-F364 HydrophobicContact CG2-CD2 3.82Å; I360-F364 HydrophobicContact CG2-CE2 3.75Å; I360-F364 VanDerWaalsContact O-CD2 3.31Å; I360-F364 WeakPolarHBondContact O-CD2 3.42Å; I360-F364 PolarHBondContact O-N 3.2Å; I360-I380 HydrophobicContact CB-CD1 3.9Å; I360-I380 HydrophobicContact CD1-CG2 3.95Å; I360-I380 HydrophobicContact CG2-CD1 3.67Å; I360-I380 HydrophobicContact CG2-CG1 4.21Å; I360-I380 HydrophobicContact CG2-CG2 4.5Å; I360-F382 HydrophobicContact CD1-CE1 3.72Å; I360-F382 HydrophobicContact CD1-CE2 4.43Å; I360-F382 HydrophobicContact CD1-CZ 3.53Å; I360-V396 HydrophobicContact CG2-CG2 3.93Å
361L94.3Very high89.7Confident23 Ų2363.7 Ų63.712%0.1234%0.34CS..Hα-helixtrans-60.7-52171-61.8179.1000111.2A357 K358 F363 F364 E365 V373 E377 I380A357-L361 PolarHBondContact O-N 2.72Å; K358-L361 WeakPolarHBondContact O-CB 3.49Å; K358-L361 PolarHBondContact O-N 2.79Å; L361-F363 PolarHBondContact O-N 3.45Å; L361-F363 VanDerWaalsContact O-N 3.16Å; L361-F364 PolarHBondContact O-N 2.67Å; L361-F364 VanDerWaalsContact O-N 3.09Å; L361-E365 WeakPolarHBondContact O-CB 3.41Å; L361-E365 WeakPolarHBondContact O-CG 3.36Å; L361-E365 PolarHBondContact O-N 3.17Å; L361-V373 HydrophobicContact CD2-CB 3.6Å; L361-V373 HydrophobicContact CD2-CG1 4.27Å; L361-V373 HydrophobicContact CD2-CG2 3.74Å; L361-E377 HydrophobicContact CD1-CG 3.67Å; L361-I380 HydrophobicContact CD2-CD1 3.81Å; L361-I380 HydrophobicContact CG-CD1 3.97Å
362E92.8Very high89.5Confident64 Ų6467.1 Ų67.130%0.29936%0.364SS..Hα-helixtrans-53.8-36.9175.4-72.5171.3-172.900112.3K358 R359 S366K358-E362 WeakPolarHBondContact CE-OE1 3.33Å; K358-E362 IonicContact NZ-OE1 2.72Å; K358-E362 PolarHBondContact NZ-OE1 3.39Å; K358-E362 WeakPolarHBondContact O-CG 3.25Å; K358-E362 PolarHBondContact O-N 3.36Å; R359-E362 WeakPolarHBondContact CD-OE2 3.32Å; R359-E362 IonicContact CZ-OE2 3.48Å; R359-E362 IonicContact NE-OE2 2.86Å; R359-E362 IonicContact NH1-OE2 3.91Å; R359-E362 PolarHBondContact NH1-OE2 3.02Å; E362-S366 WeakPolarHBondContact O-CB 3.44Å; E362-S366 PolarHBondContact O-N 3.3Å; E362-S366 VanDerWaalsContact O-N 3.17Å; E362-S366 PolarHBondContact O-OG 3.25Å; E362-S366 VanDerWaalsContact O-OG 3.12Å
363F93.2Very high89.4Confident12 Ų1266.9 Ų66.95%0.05336%0.362CS..Hα-helixtrans-66.2-50.3175.6175.6-95.7000112.1M348 R359 I360 L361 S366 K410 E413 I415 I420 L422M348-F363 HydrophobicContact CE-CD1 3.79Å; M348-F363 HydrophobicContact CE-CE1 3.92Å; R359-F363 WeakPolarHBondContact O-CB 3.46Å; R359-F363 PolarHBondContact O-N 3.03Å; I360-F363 WeakPolarHBondContact O-CB 3.43Å; I360-F363 PolarHBondContact O-N 2.68Å; L361-F363 PolarHBondContact O-N 3.45Å; L361-F363 VanDerWaalsContact O-N 3.16Å; F363-S366 PolarHBondContact O-OG 3Å; F363-K410 HydrophobicContact CE1-CB 4.15Å; F363-K410 HydrophobicContact CE1-CD 4.43Å; F363-K410 HydrophobicContact CZ-CB 3.89Å; F363-K410 PolarHBondContact O-NZ 2.98Å; F363-E413 HydrophobicContact CE2-CB 3.6Å; F363-E413 HydrophobicContact CZ-CB 3.99Å; F363-I415 HydrophobicContact CB-CD1 3.79Å; F363-I415 HydrophobicContact CB-CG1 4.14Å; F363-I415 HydrophobicContact CD1-CD1 4.28Å; F363-I415 HydrophobicContact CD2-CD1 3.75Å; F363-I415 HydrophobicContact CD2-CG1 3.43Å; F363-I415 VanDerWaalsContact CD2-CG1 3.43Å; F363-I415 HydrophobicContact CE2-CD1 4.36Å; F363-I415 HydrophobicContact CE2-CG1 3.98Å; F363-I415 HydrophobicContact CG-CD1 3.69Å; F363-I415 HydrophobicContact CG-CG1 3.91Å; F363-I420 HydrophobicContact CZ-CB 4.34Å; F363-L422 HydrophobicContact CE1-CD1 3.93Å; F363-L422 HydrophobicContact CE1-CD2 4.24Å; F363-L422 HydrophobicContact CZ-CD1 4.18Å
364F92.7Very high89.2Confident0 Ų060.7 Ų60.70%034%0.341CS..Hα-helixtrans-72-31.2179.6-73.6-63.4000114M348 I360 L361 V371 V373 V396 A407 K410 L422M348-F364 HydrophobicContact CE-CE2 3.57Å; M348-F364 HydrophobicContact CE-CZ 3.78Å; M348-F364 HydrophobicContact CG-CE2 4.39Å; M348-F364 HydrophobicContact CG-CZ 4.28Å; M348-F364 HydrophobicContact SD-CE2 3.69Å; M348-F364 HydrophobicContact SD-CZ 4.11Å; I360-F364 HydrophobicContact CG2-CD2 3.82Å; I360-F364 HydrophobicContact CG2-CE2 3.75Å; I360-F364 VanDerWaalsContact O-CD2 3.31Å; I360-F364 WeakPolarHBondContact O-CD2 3.42Å; I360-F364 PolarHBondContact O-N 3.2Å; L361-F364 PolarHBondContact O-N 2.67Å; L361-F364 VanDerWaalsContact O-N 3.09Å; F364-V371 CarbonylContact C-O 3.58Å; F364-V371 VanDerWaalsContact C-O 3.27Å; F364-V371 PolarHBondContact O-N 2.71Å; F364-V373 HydrophobicContact CB-CG2 4.29Å; F364-V373 HydrophobicContact CD2-CG2 4.06Å; F364-V373 HydrophobicContact CG-CG2 4.45Å; F364-V396 HydrophobicContact CD2-CG1 4.18Å; F364-V396 HydrophobicContact CE2-CB 4.22Å; F364-V396 HydrophobicContact CE2-CG1 3.94Å; F364-V396 HydrophobicContact CE2-CG2 3.99Å; F364-A407 HydrophobicContact CD1-CB 3.71Å; F364-A407 HydrophobicContact CE1-CB 3.69Å; F364-K410 VanDerWaalsContact C-NZ 3.3Å; F364-K410 PolarHBondContact O-NZ 2.87Å; F364-L422 HydrophobicContact CE1-CD1 4.1Å; F364-L422 HydrophobicContact CE1-CD2 4.46Å; F364-L422 HydrophobicContact CZ-CD1 4.46Å; F364-L422 HydrophobicContact CZ-CD2 4Å
365E91.5Very high88.9Confident105 Ų10558.6 Ų58.649%0.49133%0.33SS..Hα-helixtrans-79.3-22179-68.1177.9166.900113.9L361 G370L361-E365 WeakPolarHBondContact O-CB 3.41Å; L361-E365 WeakPolarHBondContact O-CG 3.36Å; L361-E365 PolarHBondContact O-N 3.17Å; E365-G370 WeakPolarHBondContact O-CA 3.43Å
366S86.4Confident88.7Confident58 Ų5858.7 Ų58.741%0.40634%0.335SS..SBendtrans-73.9156.6-175.462.40000115.3E362 F363 K410E362-S366 WeakPolarHBondContact O-CB 3.44Å; E362-S366 PolarHBondContact O-N 3.3Å; E362-S366 VanDerWaalsContact O-N 3.17Å; E362-S366 PolarHBondContact O-OG 3.25Å; E362-S366 VanDerWaalsContact O-OG 3.12Å; F363-S366 PolarHBondContact O-OG 3Å; S366-K410 WeakPolarHBondContact O-CE 3.39Å; S366-K410 PolarHBondContact O-NZ 2.9Å
367G80Confident88.5Confident70 Ų7059.9 Ų59.972%0.72233%0.334SS*.SBendtrans75.7-176.3175.900000114.7G370G367-G370 PolarHBondContact O-N 3.27Å
368E73.7Confident88.2Confident203 Ų20364.6 Ų64.695%0.94936%0.357SS*.THydrogen-bonded Turntrans-70.7-33.8-175.9-60.7-176.2156.400112.3G370E368-G370 PolarHBondContact O-N 3.04Å
369N76.5Confident88Confident82 Ų8258.7 Ų58.744%0.43933%0.332SS..THydrogen-bonded Turntrans-87.850169.8-69.6-13.5000111V371 K406 S409 K410N369-V371 WeakPolarHBondContact O-CG2 3.49Å; N369-K406 HydrophobicContact CB-CB 4.35Å; N369-S409 PolarHBondContact ND2-OG 2.95Å; N369-K410 VanDerWaalsContact O-CE 3.31Å; N369-K410 WeakPolarHBondContact O-CE 3.17Å; N369-K410 PolarHBondContact O-NZ 3.45Å
370G81.7Confident88Confident34 Ų3453.9 Ų53.935%0.35131%0.314SS..  trans-69.4134.8173.600000111.6E365 G367 E368E365-G370 WeakPolarHBondContact O-CA 3.43Å; G367-G370 PolarHBondContact O-N 3.27Å; E368-G370 PolarHBondContact O-N 3.04Å
371V90Very high87.9Confident6 Ų654.4 Ų54.44%0.03632%0.317CS..  trans-142135.2-176.8-159.80000110.5F364 N369 M398 D403 K406F364-V371 CarbonylContact C-O 3.58Å; F364-V371 VanDerWaalsContact C-O 3.27Å; F364-V371 PolarHBondContact O-N 2.71Å; N369-V371 WeakPolarHBondContact O-CG2 3.49Å; V371-M398 HydrophobicContact CB-CE 3.97Å; V371-M398 HydrophobicContact CG1-CE 3.35Å; V371-D403 HydrophobicContact CG1-CB 3.5Å; V371-K406 HydrophobicContact CG2-CB 3.48Å; V371-K406 VanDerWaalsContact CG2-CB 3.48Å; V371-K406 HydrophobicContact CG2-CD 3.97Å; V371-K406 HydrophobicContact CG2-CG 4.41Å
372S89.6Confident87.8Confident77 Ų7756 Ų5654%0.53832%0.323SS..PPolyproline II helixtrans-83.7142.1174.3-60.60000111.7
373V89.8Confident87.7Confident10 Ų1053.1 Ų53.16%0.06131%0.31CS..BIsolated β-bridgetrans-86.2139.4172.3175.30000109.8L361 F364 D375 G376 I380 V396L361-V373 HydrophobicContact CD2-CB 3.6Å; L361-V373 HydrophobicContact CD2-CG1 4.27Å; L361-V373 HydrophobicContact CD2-CG2 3.74Å; F364-V373 HydrophobicContact CB-CG2 4.29Å; F364-V373 HydrophobicContact CD2-CG2 4.06Å; F364-V373 HydrophobicContact CG-CG2 4.45Å; V373-D375 PolarHBondContact O-N 2.8Å; V373-G376 WeakPolarHBondContact CG1-O 3.35Å; V373-G376 PolarHBondContact O-N 2.87Å; V373-G376 VanDerWaalsContact O-N 3.08Å; V373-I380 HydrophobicContact CG1-CG1 4.11Å; V373-V396 HydrophobicContact CB-CG1 4.19Å; V373-V396 HydrophobicContact CG1-CG1 3.62Å; V373-V396 HydrophobicContact CG2-CG1 3.49Å; V373-V396 VanDerWaalsContact CG2-CG1 3.49Å
374V88.1Confident87.5Confident30 Ų3055.6 Ų55.618%0.18232%0.324CS..THydrogen-bonded Turntrans-61.9127-179.3-1780000110.3V343 G376 G379 L397V343-V374 HydrophobicContact CG1-CB 4.49Å; V343-V374 HydrophobicContact CG1-CG1 4.24Å; V343-V374 HydrophobicContact CG1-CG2 4.02Å; V374-G376 PolarHBondContact O-N 3.12Å; V374-G376 VanDerWaalsContact O-N 3.17Å; V374-G379 WeakPolarHBondContact O-CA 3.46Å; V374-G379 PolarHBondContact O-N 2.86Å; V374-L397 HydrophobicContact CB-CB 4.01Å; V374-L397 HydrophobicContact CG2-CB 4.34Å; V374-L397 PolarHBondContact N-O 2.84Å
375D86.3Confident87.1Confident96 Ų9660.1 Ų60.151%0.51334%0.343SS..THydrogen-bonded Turntrans58.217.9-174.4-45.4-51.7000115.9R340 V373 E377 N378R340-D375 WeakPolarHBondContact CD-OD2 3.31Å; R340-D375 IonicContact CZ-OD2 3.37Å; R340-D375 IonicContact NE-OD2 2.79Å; R340-D375 IonicContact NH1-OD2 3.53Å; R340-D375 PolarHBondContact NH1-OD2 2.92Å; V373-D375 PolarHBondContact O-N 2.8Å; D375-E377 PolarHBondContact O-N 2.99Å; D375-N378 HydrophobicContact CB-CB 3.87Å; D375-N378 PolarHBondContact O-N 2.86Å; D375-N378 PolarHBondContact O-ND2 2.97Å
376G88.4Confident86.7Confident24 Ų2457.7 Ų57.725%0.24734%0.342CS..G310 helixtrans61.3-124.4178.500000112.4V373 V374 N378 G379V373-G376 WeakPolarHBondContact CG1-O 3.35Å; V373-G376 PolarHBondContact O-N 2.87Å; V373-G376 VanDerWaalsContact O-N 3.08Å; V374-G376 PolarHBondContact O-N 3.12Å; V374-G376 VanDerWaalsContact O-N 3.17Å; G376-N378 PolarHBondContact O-N 3.32Å; G376-G379 PolarHBondContact O-N 2.81Å
377E88.7Confident86.5Confident106 Ų10658.6 Ų58.650%0.49534%0.342SS..G310 helixtrans-61.3-27.2-178.8-62.8-163.7135.400112.8A357 K358 L361 D375 G379 I380A357-E377 HydrophobicContact CB-CB 3.85Å; A357-E377 HydrophobicContact CB-CG 3.7Å; A357-E377 WeakPolarHBondContact CB-OE1 3.46Å; K358-E377 PolarHBondContact N-OE1 3.48Å; L361-E377 HydrophobicContact CD1-CG 3.67Å; D375-E377 PolarHBondContact O-N 2.99Å; E377-G379 PolarHBondContact O-N 3.29Å; E377-I380 PolarHBondContact O-N 2.88Å
378N87.2Confident86.6Confident117 Ų11757.5 Ų57.563%0.62633%0.331SS*.G310 helixtrans-70-21.6175.7-58.3-70.4000112.4R340 D375 G376 I380R340-N378 VanDerWaalsContact CZ-O 3.31Å; R340-N378 VanDerWaalsContact NH1-C 3.34Å; R340-N378 PolarHBondContact NH1-O 3.12Å; R340-N378 PolarHBondContact NH2-O 3.5Å; D375-N378 HydrophobicContact CB-CB 3.87Å; D375-N378 PolarHBondContact O-N 2.86Å; D375-N378 PolarHBondContact O-ND2 2.97Å; G376-N378 PolarHBondContact O-N 3.32Å; N378-I380 PolarHBondContact O-N 3.14Å
379G89.6Confident87.3Confident0 Ų056 Ų560%032%0.316CS..G310 helixtrans-80.39.5174.900000114.3F337 V374 G376 E377 V396 L397F337-G379 WeakPolarHBondContact CE2-O 3.34Å; V374-G379 WeakPolarHBondContact O-CA 3.46Å; V374-G379 PolarHBondContact O-N 2.86Å; G376-G379 PolarHBondContact O-N 2.81Å; E377-G379 PolarHBondContact O-N 3.29Å; G379-V396 CarbonylContact O-C 3.56Å; G379-V396 VanDerWaalsContact O-CA 3.3Å; G379-V396 WeakPolarHBondContact O-CA 3.36Å; G379-L397 PolarHBondContact O-N 2.77Å
380I92.7Very high87.8Confident15 Ų1553.8 Ų53.88%0.07731%0.309CS..EExtended strand (participates in β ladder)trans-120.7120.3-177.9-56.3171.5000108.8A357 I360 L361 V373 E377 N378 F382 F395 V396A357-I380 HydrophobicContact CB-CD1 4.07Å; A357-I380 WeakPolarHBondContact O-CD1 3.41Å; I360-I380 HydrophobicContact CB-CD1 3.9Å; I360-I380 HydrophobicContact CD1-CG2 3.95Å; I360-I380 HydrophobicContact CG2-CD1 3.67Å; I360-I380 HydrophobicContact CG2-CG1 4.21Å; I360-I380 HydrophobicContact CG2-CG2 4.5Å; L361-I380 HydrophobicContact CD2-CD1 3.81Å; L361-I380 HydrophobicContact CG-CD1 3.97Å; V373-I380 HydrophobicContact CG1-CG1 4.11Å; E377-I380 PolarHBondContact O-N 2.88Å; N378-I380 PolarHBondContact O-N 3.14Å; I380-F382 HydrophobicContact CG2-CD2 4.06Å; I380-F382 HydrophobicContact CG2-CE2 3.66Å; I380-F382 HydrophobicContact CG2-CZ 4.15Å; I380-F395 CarbonylContact C-O 3.57Å; I380-F395 WeakPolarHBondContact CA-O 3.39Å; I380-V396 HydrophobicContact CG1-CG2 4.28Å; I380-V396 HydrophobicContact CG2-CG2 4.39Å
381L92.1Very high88.2Confident10 Ų1054.2 Ų54.25%0.05231%0.305CS..EExtended strand (participates in β ladder)trans-113.8107175.7174.554.9000110E333 F337 A394 F395 V430 I434E333-L381 HydrophobicContact CG-CD1 3.67Å; F337-L381 HydrophobicContact CB-CD2 3.77Å; F337-L381 HydrophobicContact CD1-CB 4.4Å; F337-L381 HydrophobicContact CD1-CD2 3.92Å; F337-L381 HydrophobicContact CD2-CB 3.44Å; F337-L381 VanDerWaalsContact CD2-CB 3.44Å; F337-L381 HydrophobicContact CD2-CD2 4.16Å; F337-L381 HydrophobicContact CD2-CG 4.44Å; F337-L381 HydrophobicContact CE1-CB 4.49Å; F337-L381 HydrophobicContact CE2-CB 3.53Å; F337-L381 HydrophobicContact CG-CB 3.89Å; F337-L381 HydrophobicContact CG-CD2 3.71Å; F337-L381 HydrophobicContact CG-CG 4.47Å; F337-L381 HydrophobicContact CZ-CB 4.09Å; L381-A394 CarbonylContact O-C 3.48Å; L381-A394 VanDerWaalsContact O-CA 3.3Å; L381-A394 WeakPolarHBondContact O-CA 3.27Å; L381-F395 HydrophobicContact CB-CB 4.49Å; L381-F395 PolarHBondContact N-O 3.23Å; L381-F395 PolarHBondContact O-N 3.3Å; L381-V430 HydrophobicContact CD2-CG1 4.19Å; L381-I434 HydrophobicContact CD2-CD1 3.7Å; L381-I434 HydrophobicContact CG-CD1 4.48Å
382F93Very high88.2Confident57 Ų5754.2 Ų54.225%0.2531%0.307CS..EExtended strand (participates in β ladder)trans-73.4137.4174.7-73.4-90.1000111L351 A357 I360 I380 N384 A394L351-F382 HydrophobicContact CD1-CE1 4.41Å; A357-F382 HydrophobicContact CB-CE2 4.06Å; I360-F382 HydrophobicContact CD1-CE1 3.72Å; I360-F382 HydrophobicContact CD1-CE2 4.43Å; I360-F382 HydrophobicContact CD1-CZ 3.53Å; I380-F382 HydrophobicContact CG2-CD2 4.06Å; I380-F382 HydrophobicContact CG2-CE2 3.66Å; I380-F382 HydrophobicContact CG2-CZ 4.15Å; F382-N384 WeakPolarHBondContact CB-OD1 3.48Å; F382-N384 PolarHBondContact O-N 2.97Å; F382-A394 HydrophobicContact CD1-CB 4.22Å
383V90.9Very high88.4Confident4 Ų451.3 Ų51.32%0.02429%0.285CS..EExtended strand (participates in β ladder)trans-90.5102.2173.4-178.10000108.3T391 D393 F395 V433V383-T391 HydrophobicContact CG1-CG2 4.06Å; V383-T391 WeakPolarHBondContact O-CB 3.49Å; V383-T391 VanDerWaalsContact O-CG2 3.24Å; V383-T391 WeakPolarHBondContact O-CG2 3.31Å; V383-T391 PolarHBondContact O-N 3.21Å; V383-T391 VanDerWaalsContact O-N 3.1Å; V383-T391 PolarHBondContact O-OG1 2.98Å; V383-D393 HydrophobicContact CB-CB 4.08Å; V383-D393 WeakPolarHBondContact CB-O 3.48Å; V383-D393 HydrophobicContact CG2-CB 4.13Å; V383-D393 PolarHBondContact N-O 3.49Å; V383-F395 HydrophobicContact CG2-CD2 3.84Å; V383-F395 HydrophobicContact CG2-CE2 3.6Å; V383-V433 HydrophobicContact CB-CG1 4.26Å; V383-V433 HydrophobicContact CG1-CG1 3.65Å; V383-V433 HydrophobicContact CG2-CG1 3.69Å
384N88.6Confident88.6Confident64 Ų6450.9 Ų50.934%0.34228%0.283SS..EExtended strand (participates in β ladder)trans-100.4153173.4-69.441.9000110.4F382 G388 R389 S437F382-N384 WeakPolarHBondContact CB-OD1 3.48Å; F382-N384 PolarHBondContact O-N 2.97Å; N384-G388 PolarHBondContact ND2-O 3.26Å; N384-R389 WeakPolarHBondContact CA-O 3.42Å; N384-S437 WeakPolarHBondContact O-CB 3.26Å; N384-S437 PolarHBondContact O-OG 3.37Å
385K85.3Confident89Confident94 Ų9449.4 Ų49.441%0.40927%0.274SS..  trans-74.4165167.1-73.4-172177.9-1690110.8D387 G388 R389 T391K385-D387 WeakPolarHBondContact CB-OD1 3.33Å; K385-D387 PolarHBondContact O-N 2.7Å; K385-D387 VanDerWaalsContact O-N 3.11Å; K385-G388 WeakPolarHBondContact O-CA 3.17Å; K385-G388 PolarHBondContact O-N 3.23Å; K385-R389 PolarHBondContact N-O 2.96Å; K385-T391 HydrophobicContact CG-CG2 3.93Å
386A81.9Confident89.3Confident55 Ų5544.9 Ų44.946%0.45525%0.249SC..THydrogen-bonded Turntrans-60-16.9172.200000114.7G388 S437 L438 V441A386-G388 VanDerWaalsContact C-N 3.28Å; A386-S437 PolarHBondContact N-O 2.98Å; A386-L438 HydrophobicContact CB-CD2 4.26Å; A386-V441 HydrophobicContact CB-CG2 3.81Å
387D82.3Confident89.5Confident76 Ų7643.7 Ų43.741%0.40624%0.238SC..THydrogen-bonded Turntrans-87.38.317170-0.1000113.7K385 R389K385-D387 WeakPolarHBondContact CB-OD1 3.33Å; K385-D387 PolarHBondContact O-N 2.7Å; K385-D387 VanDerWaalsContact O-N 3.11Å; D387-R389 VanDerWaalsContact C-N 3.25Å; D387-R389 PolarHBondContact O-N 2.71Å; D387-R389 VanDerWaalsContact OD1-CB 3.23Å; D387-R389 WeakPolarHBondContact OD1-CB 3.48Å; D387-R389 VanDerWaalsContact OD1-CG 3.29Å; D387-R389 WeakPolarHBondContact OD1-CG 3.3Å; D387-R389 PolarHBondContact OD1-N 3.27Å; D387-R389 VanDerWaalsContact OD2-CD 3.24Å; D387-R389 WeakPolarHBondContact OD2-CD 3.41Å; D387-R389 IonicContact OD2-CZ 3.49Å; D387-R389 IonicContact OD2-NE 3.43Å; D387-R389 IonicContact OD2-NH1 2.71Å; D387-R389 PolarHBondContact OD2-NH1 2.53Å
388G82.9Confident89.7Confident48 Ų4838.7 Ų38.750%0.49521%0.214SC..SBendtrans78.9-7.1-178.400000115N384 K385 A386N384-G388 PolarHBondContact ND2-O 3.26Å; K385-G388 WeakPolarHBondContact O-CA 3.17Å; K385-G388 PolarHBondContact O-N 3.23Å; A386-G388 VanDerWaalsContact C-N 3.28Å
389R87Confident89.7Confident170 Ų17035.9 Ų35.964%0.64220%0.204SC*.  trans-71136.3-177.5-63.9178.3178.3136.1-9.3111.7N384 K385 D387 T391N384-R389 WeakPolarHBondContact CA-O 3.42Å; K385-R389 PolarHBondContact N-O 2.96Å; D387-R389 VanDerWaalsContact C-N 3.25Å; D387-R389 PolarHBondContact O-N 2.71Å; D387-R389 VanDerWaalsContact OD1-CB 3.23Å; D387-R389 WeakPolarHBondContact OD1-CB 3.48Å; D387-R389 VanDerWaalsContact OD1-CG 3.29Å; D387-R389 WeakPolarHBondContact OD1-CG 3.3Å; D387-R389 PolarHBondContact OD1-N 3.27Å; D387-R389 VanDerWaalsContact OD2-CD 3.24Å; D387-R389 WeakPolarHBondContact OD2-CD 3.41Å; D387-R389 IonicContact OD2-CZ 3.49Å; D387-R389 IonicContact OD2-NE 3.43Å; D387-R389 IonicContact OD2-NH1 2.71Å; D387-R389 PolarHBondContact OD2-NH1 2.53Å; R389-T391 PolarHBondContact O-N 3.36Å
390A88.4Confident89.6Confident36 Ų3638.4 Ų38.430%0.29822%0.219SC..EExtended strand (participates in β ladder)trans-59.9133.6170.800000110.8Y353Y353-A390 HydrophobicContact CD1-CB 4.37Å
391T89.2Confident89.3Confident43 Ų4340.4 Ų40.426%0.26423%0.228SC..EExtended strand (participates in β ladder)trans-83.4-22.4175.860.30000113.4V383 K385 R389 D393V383-T391 HydrophobicContact CG1-CG2 4.06Å; V383-T391 WeakPolarHBondContact O-CB 3.49Å; V383-T391 VanDerWaalsContact O-CG2 3.24Å; V383-T391 WeakPolarHBondContact O-CG2 3.31Å; V383-T391 PolarHBondContact O-N 3.21Å; V383-T391 VanDerWaalsContact O-N 3.1Å; V383-T391 PolarHBondContact O-OG1 2.98Å; K385-T391 HydrophobicContact CG-CG2 3.93Å; R389-T391 PolarHBondContact O-N 3.36Å; T391-D393 PolarHBondContact OG1-N 3.01Å; T391-D393 VanDerWaalsContact OG1-N 3.11Å
392G91.4Very high89.1Confident7 Ų745.5 Ų45.57%0.07225%0.252CS..EExtended strand (participates in β ladder)trans90.1-0.3-165.900000113.9R349 G350 L351R349-G392 CarbonylContact C-O 3.59Å; R349-G392 WeakPolarHBondContact CA-O 3.29Å; G350-G392 PolarHBondContact N-O 2.76Å; L351-G392 WeakPolarHBondContact CB-O 3.44Å; L351-G392 PolarHBondContact N-O 3.1Å
393D93Very high89.1Confident16 Ų1644 Ų449%0.08625%0.246CC..EExtended strand (participates in β ladder)trans-102.4147.2169.1-69.8-1.5000110.7R347 M348 R349 V383 T391R347-D393 IonicContact CZ-OD2 3.34Å; R347-D393 IonicContact NE-OD2 2.72Å; R347-D393 IonicContact NH2-OD2 3.21Å; R347-D393 PolarHBondContact NH2-OD2 3.27Å; M348-D393 VanDerWaalsContact O-CA 3.3Å; M348-D393 WeakPolarHBondContact O-CA 3.44Å; R349-D393 WeakPolarHBondContact CB-OD1 3.18Å; R349-D393 WeakPolarHBondContact CG-OD1 3.46Å; R349-D393 IonicContact CZ-OD1 2.9Å; R349-D393 IonicContact CZ-OD2 3.36Å; R349-D393 VanDerWaalsContact CZ-OD2 3.27Å; R349-D393 VanDerWaalsContact NE-CG 3.28Å; R349-D393 IonicContact NE-OD1 3.15Å; R349-D393 PolarHBondContact NE-OD1 2.9Å; R349-D393 IonicContact NE-OD2 2.65Å; R349-D393 PolarHBondContact NE-OD2 2.78Å; R349-D393 IonicContact NH2-OD1 3.91Å; R349-D393 PolarHBondContact NH2-OD1 3.31Å; R349-D393 IonicContact NH2-OD2 2.8Å; R349-D393 PolarHBondContact NH2-OD2 3.27Å; V383-D393 HydrophobicContact CB-CB 4.08Å; V383-D393 WeakPolarHBondContact CB-O 3.48Å; V383-D393 HydrophobicContact CG2-CB 4.13Å; V383-D393 PolarHBondContact N-O 3.49Å; T391-D393 PolarHBondContact OG1-N 3.01Å; T391-D393 VanDerWaalsContact OG1-N 3.11Å
394A94.8Very high89Confident0 Ų043.9 Ų43.90%025%0.246CC..EExtended strand (participates in β ladder)trans-149.5166.3169.300000110.7R347 M348 L351 L381 F382R347-A394 CarbonylContact C-O 3.58Å; R347-A394 WeakPolarHBondContact CA-O 3.14Å; M348-A394 PolarHBondContact N-O 3.46Å; M348-A394 PolarHBondContact O-N 2.8Å; L351-A394 HydrophobicContact CD1-CB 3.48Å; L351-A394 VanDerWaalsContact CD1-CB 3.48Å; L381-A394 CarbonylContact O-C 3.48Å; L381-A394 VanDerWaalsContact O-CA 3.3Å; L381-A394 WeakPolarHBondContact O-CA 3.27Å; F382-A394 HydrophobicContact CD1-CB 4.22Å
395F94.6Very high89.1Confident0 Ų046.1 Ų46.10%025%0.254CS..EExtended strand (participates in β ladder)trans-120.4145.8172.3-62.9-83.7000110.8F337 I345 I346 R347 I380 L381 V383 V430 V433F337-F395 HydrophobicContact CE1-CB 3.74Å; F337-F395 HydrophobicContact CE2-CB 4.42Å; F337-F395 HydrophobicContact CZ-CB 3.5Å; I345-F395 HydrophobicContact CG2-CB 4.2Å; I345-F395 HydrophobicContact CG2-CD1 3.94Å; I345-F395 HydrophobicContact CG2-CG 4.49Å; I346-F395 CarbonylContact O-C 3.49Å; I346-F395 WeakPolarHBondContact O-CA 3.03Å; R347-F395 HydrophobicContact CB-CD1 3.69Å; R347-F395 HydrophobicContact CB-CE1 3.58Å; R347-F395 HydrophobicContact CG-CD1 3.98Å; R347-F395 HydrophobicContact CG-CE1 3.6Å; R347-F395 HydrophobicContact CG-CZ 4.08Å; I380-F395 CarbonylContact C-O 3.57Å; I380-F395 WeakPolarHBondContact CA-O 3.39Å; L381-F395 HydrophobicContact CB-CB 4.49Å; L381-F395 PolarHBondContact N-O 3.23Å; L381-F395 PolarHBondContact O-N 3.3Å; V383-F395 HydrophobicContact CG2-CD2 3.84Å; V383-F395 HydrophobicContact CG2-CE2 3.6Å; F395-V430 HydrophobicContact CD1-CG2 3.68Å; F395-V430 HydrophobicContact CD2-CG1 4.23Å; F395-V430 HydrophobicContact CD2-CG2 4.26Å; F395-V430 HydrophobicContact CE1-CB 4.46Å; F395-V430 HydrophobicContact CE1-CG2 3.78Å; F395-V430 HydrophobicContact CE2-CB 4.39Å; F395-V430 HydrophobicContact CE2-CG1 4.34Å; F395-V430 HydrophobicContact CE2-CG2 4.38Å; F395-V430 HydrophobicContact CG-CG2 3.91Å; F395-V430 HydrophobicContact CZ-CB 4.34Å; F395-V430 HydrophobicContact CZ-CG2 4.15Å; F395-V433 HydrophobicContact CE2-CB 3.97Å; F395-V433 HydrophobicContact CE2-CG1 3.91Å; F395-V433 HydrophobicContact CZ-CB 3.83Å; F395-V433 HydrophobicContact CZ-CG1 4.08Å; F395-V433 HydrophobicContact CZ-CG2 3.95Å
396V94.4Very high89.4Confident0 Ų045.4 Ų45.40%025%0.251CS..EExtended strand (participates in β ladder)trans-136.2139-175.3-177.60000110.1I346 M348 I360 F364 V373 G379 I380 M398I346-V396 PolarHBondContact N-O 2.63Å; I346-V396 PolarHBondContact O-N 3.37Å; M348-V396 HydrophobicContact CG-CG2 4.07Å; M348-V396 HydrophobicContact SD-CG2 3.64Å; I360-V396 HydrophobicContact CG2-CG2 3.93Å; F364-V396 HydrophobicContact CD2-CG1 4.18Å; F364-V396 HydrophobicContact CE2-CB 4.22Å; F364-V396 HydrophobicContact CE2-CG1 3.94Å; F364-V396 HydrophobicContact CE2-CG2 3.99Å; V373-V396 HydrophobicContact CB-CG1 4.19Å; V373-V396 HydrophobicContact CG1-CG1 3.62Å; V373-V396 HydrophobicContact CG2-CG1 3.49Å; V373-V396 VanDerWaalsContact CG2-CG1 3.49Å; G379-V396 CarbonylContact O-C 3.56Å; G379-V396 VanDerWaalsContact O-CA 3.3Å; G379-V396 WeakPolarHBondContact O-CA 3.36Å; I380-V396 HydrophobicContact CG1-CG2 4.28Å; I380-V396 HydrophobicContact CG2-CG2 4.39Å; V396-M398 HydrophobicContact CG1-SD 4.04Å
397L92.1Very high89.9Confident0 Ų042.8 Ų42.80%023%0.23CC..EExtended strand (participates in β ladder)trans-98.5127.6-178.5-58.6-178.4000112.2F337 V343 I345 V374 G379F337-L397 HydrophobicContact CD1-CD2 4.15Å; F337-L397 HydrophobicContact CD2-CD1 4.11Å; F337-L397 HydrophobicContact CD2-CD2 4.44Å; F337-L397 HydrophobicContact CD2-CG 4.15Å; F337-L397 HydrophobicContact CE1-CD2 3.49Å; F337-L397 VanDerWaalsContact CE1-CD2 3.49Å; F337-L397 HydrophobicContact CE1-CG 4.18Å; F337-L397 HydrophobicContact CE2-CD1 4.03Å; F337-L397 HydrophobicContact CE2-CD2 3.86Å; F337-L397 HydrophobicContact CE2-CG 3.57Å; F337-L397 HydrophobicContact CZ-CD1 4.36Å; F337-L397 HydrophobicContact CZ-CD2 3.32Å; F337-L397 HydrophobicContact CZ-CG 3.57Å; F337-L397 WeakPolarHBondContact O-CD1 3.27Å; V343-L397 HydrophobicContact CB-CB 4.4Å; V343-L397 HydrophobicContact CG2-CB 4.45Å; V343-L397 HydrophobicContact CG2-CD1 4.32Å; V343-L397 HydrophobicContact CG2-CD2 3.78Å; V343-L397 HydrophobicContact CG2-CG 4.4Å; I345-L397 HydrophobicContact CG1-CD2 3.92Å; V374-L397 HydrophobicContact CB-CB 4.01Å; V374-L397 HydrophobicContact CG2-CB 4.34Å; V374-L397 PolarHBondContact N-O 2.84Å; G379-L397 PolarHBondContact O-N 2.77Å
398M91.8Very high90.4Very high0 Ų041.4 Ų41.40%022%0.222CC..EExtended strand (participates in β ladder)trans-109.8141.5177.6-48.1-51.1-54.400110.8V343 V344 I346 V371 V396 D403 A404 A407V343-M398 WeakPolarHBondContact CA-O 3.47Å; V343-M398 WeakPolarHBondContact CB-O 3.37Å; V344-M398 HydrophobicContact CB-CB 4.48Å; V344-M398 PolarHBondContact N-O 2.88Å; V344-M398 PolarHBondContact O-N 3.21Å; I346-M398 HydrophobicContact CD1-CG 3.65Å; I346-M398 HydrophobicContact CD1-SD 4.13Å; I346-M398 HydrophobicContact CG1-CG 4Å; V371-M398 HydrophobicContact CB-CE 3.97Å; V371-M398 HydrophobicContact CG1-CE 3.35Å; V396-M398 HydrophobicContact CG1-SD 4.04Å; M398-D403 HydrophobicContact CE-CB 4.47Å; M398-A404 HydrophobicContact CB-CB 4.1Å; M398-A404 HydrophobicContact CG-CB 4.12Å; M398-A407 HydrophobicContact CE-CB 3.85Å; M398-A407 HydrophobicContact SD-CB 4.2Å
399S88.3Confident90.8Very high59 Ų5942.1 Ų42.141%0.41322%0.22SC..SBendtrans-68.5-32.6-176.131.10000114.5D403S399-D403 PolarHBondContact OG-OD2 3.36Å
400T86.9Confident91Very high52 Ų5234.2 Ų34.232%0.31919%0.19SC..SBendtrans-142.6167.2-175.767.80000111.3E402 D403 A404T400-E402 WeakPolarHBondContact CB-OE2 3.5Å; T400-D403 WeakPolarHBondContact OG1-CB 3.41Å; T400-D403 PolarHBondContact OG1-N 2.93Å; T400-D403 PolarHBondContact OG1-OD2 2.8Å; T400-A404 PolarHBondContact O-N 3.3Å
401E85.8Confident91.1Very high58 Ų5835 Ų3527%0.27119%0.187SC..Hα-helixtrans-66.3-39.8174177.561.5-139.200110.9A404 Q405 R424E401-A404 WeakPolarHBondContact O-CB 3.46Å; E401-A404 PolarHBondContact O-N 2.96Å; E401-Q405 WeakPolarHBondContact O-CG 3.37Å; E401-Q405 PolarHBondContact O-N 3.18Å; E401-Q405 PolarHBondContact OE1-NE2 3.03Å; E401-R424 IonicContact OE1-CZ 3.55Å; E401-R424 IonicContact OE1-NH1 3.68Å; E401-R424 PolarHBondContact OE1-NH1 2.88Å; E401-R424 IonicContact OE2-CZ 3.86Å; E401-R424 IonicContact OE2-NH1 3.54Å; E401-R424 PolarHBondContact OE2-NH1 2.92Å; E401-R424 IonicContact OE2-NH2 2.74Å; E401-R424 PolarHBondContact OE2-NH2 2.82Å
402E89.3Confident91.3Very high116 Ų11639.4 Ų39.454%0.54220%0.203SC..Hα-helixtrans-64.8-41176.8-62.277-174.200111.4T400 Q405 K406T400-E402 WeakPolarHBondContact CB-OE2 3.5Å; E402-Q405 PolarHBondContact O-N 3.42Å; E402-K406 WeakPolarHBondContact O-CG 3.44Å; E402-K406 PolarHBondContact O-N 2.83Å
403D91.4Very high91.4Very high25 Ų2543.1 Ų43.113%0.13422%0.218CC..Hα-helixtrans-65.7-38.2173.6-71.2-29.9000111.8V371 M398 S399 T400 K406 A407V371-D403 HydrophobicContact CG1-CB 3.5Å; M398-D403 HydrophobicContact CE-CB 4.47Å; S399-D403 PolarHBondContact OG-OD2 3.36Å; T400-D403 WeakPolarHBondContact OG1-CB 3.41Å; T400-D403 PolarHBondContact OG1-N 2.93Å; T400-D403 PolarHBondContact OG1-OD2 2.8Å; D403-K406 PolarHBondContact O-N 3.25Å; D403-K406 IonicContact OD1-NZ 2.7Å; D403-K406 PolarHBondContact OD1-NZ 2.83Å; D403-A407 VanDerWaalsContact O-CB 3.3Å; D403-A407 WeakPolarHBondContact O-CB 3.42Å; D403-A407 PolarHBondContact O-N 2.88Å
404A90Very high91.4Very high2 Ų246.5 Ų46.52%0.01724%0.239CC..Hα-helixtrans-65.5-39.7173.300000112.3V344 I346 M398 T400 E401 A407 L408V344-A404 HydrophobicContact CB-CB 3.88Å; V344-A404 HydrophobicContact CG1-CB 3.56Å; V344-A404 HydrophobicContact CG2-CB 4.49Å; I346-A404 HydrophobicContact CD1-CB 4.29Å; M398-A404 HydrophobicContact CB-CB 4.1Å; M398-A404 HydrophobicContact CG-CB 4.12Å; T400-A404 PolarHBondContact O-N 3.3Å; E401-A404 WeakPolarHBondContact O-CB 3.46Å; E401-A404 PolarHBondContact O-N 2.96Å; A404-A407 PolarHBondContact O-N 2.88Å; A404-L408 WeakPolarHBondContact O-CB 3.45Å; A404-L408 WeakPolarHBondContact O-CG 3.44Å; A404-L408 PolarHBondContact O-N 3.48Å
405Q90.3Very high91.3Very high112 Ų11246.7 Ų46.752%0.52324%0.24SC..Hα-helixtrans-65.6-42.5176.1-70.8171.622.700112.3E401 E402 L408 S409E401-Q405 WeakPolarHBondContact O-CG 3.37Å; E401-Q405 PolarHBondContact O-N 3.18Å; E401-Q405 PolarHBondContact OE1-NE2 3.03Å; E402-Q405 PolarHBondContact O-N 3.42Å; Q405-L408 PolarHBondContact O-N 2.94Å; Q405-S409 PolarHBondContact O-N 2.93Å; Q405-S409 VanDerWaalsContact O-N 3.1Å
406K92.4Very high91Very high79 Ų7949.5 Ų49.534%0.34327%0.269SS..Hα-helixtrans-58.1-48.1170.5-68.5168.7-150.9159.30111.4N369 V371 E402 D403 L408 S409N369-K406 HydrophobicContact CB-CB 4.35Å; V371-K406 HydrophobicContact CG2-CB 3.48Å; V371-K406 VanDerWaalsContact CG2-CB 3.48Å; V371-K406 HydrophobicContact CG2-CD 3.97Å; V371-K406 HydrophobicContact CG2-CG 4.41Å; E402-K406 WeakPolarHBondContact O-CG 3.44Å; E402-K406 PolarHBondContact O-N 2.83Å; D403-K406 PolarHBondContact O-N 3.25Å; D403-K406 IonicContact OD1-NZ 2.7Å; D403-K406 PolarHBondContact OD1-NZ 2.83Å; K406-L408 VanDerWaalsContact C-N 3.35Å; K406-L408 PolarHBondContact O-N 2.68Å; K406-S409 WeakPolarHBondContact O-CB 3.44Å; K406-S409 PolarHBondContact O-N 2.82Å; K406-S409 VanDerWaalsContact O-N 3.12Å; K406-S409 PolarHBondContact O-OG 2.93Å
407A92.2Very high90.7Very high0 Ų055.8 Ų55.80%031%0.308CS..Hα-helixtrans-62.9-39.4179.600000112.2I346 F364 M398 D403 A404 S409 K410 L422I346-A407 HydrophobicContact CD1-CB 3.42Å; I346-A407 VanDerWaalsContact CD1-CB 3.42Å; F364-A407 HydrophobicContact CD1-CB 3.71Å; F364-A407 HydrophobicContact CE1-CB 3.69Å; M398-A407 HydrophobicContact CE-CB 3.85Å; M398-A407 HydrophobicContact SD-CB 4.2Å; D403-A407 VanDerWaalsContact O-CB 3.3Å; D403-A407 WeakPolarHBondContact O-CB 3.42Å; D403-A407 PolarHBondContact O-N 2.88Å; A404-A407 PolarHBondContact O-N 2.88Å; A407-S409 VanDerWaalsContact C-N 3.28Å; A407-S409 PolarHBondContact O-N 2.8Å; A407-K410 WeakPolarHBondContact O-CB 3.35Å; A407-K410 PolarHBondContact O-N 3.12Å; A407-L422 WeakPolarHBondContact O-CD1 3.41Å
408L91.5Very high90.8Very high46 Ų4661.6 Ų61.624%0.24133%0.33CS..Hα-helixtrans-67-24.2174.4-70.8166.6000113.3I346 A404 Q405 K406 K410 H411 L422 R424I346-L408 HydrophobicContact CD1-CD2 4.28Å; I346-L408 HydrophobicContact CD1-CG 4.01Å; I346-L408 HydrophobicContact CG1-CD2 4.38Å; I346-L408 HydrophobicContact CG1-CG 4.46Å; I346-L408 HydrophobicContact CG2-CD2 4.34Å; A404-L408 WeakPolarHBondContact O-CB 3.45Å; A404-L408 WeakPolarHBondContact O-CG 3.44Å; A404-L408 PolarHBondContact O-N 3.48Å; Q405-L408 PolarHBondContact O-N 2.94Å; K406-L408 VanDerWaalsContact C-N 3.35Å; K406-L408 PolarHBondContact O-N 2.68Å; L408-K410 PolarHBondContact O-N 2.88Å; L408-K410 VanDerWaalsContact O-N 3.15Å; L408-H411 VanDerWaalsContact O-CB 3.25Å; L408-H411 WeakPolarHBondContact O-CB 3.36Å; L408-H411 PolarHBondContact O-N 2.94Å; L408-H411 VanDerWaalsContact O-N 3.1Å; L408-L422 HydrophobicContact CD2-CB 4.13Å; L408-R424 HydrophobicContact CD1-CB 4.18Å
409S92Very high90.8Very high64 Ų6468.5 Ų68.545%0.44836%0.357SS..Hα-helixtrans-61.4-21.4175.177.90000113.3N369 Q405 K406 A407 H411N369-S409 PolarHBondContact ND2-OG 2.95Å; Q405-S409 PolarHBondContact O-N 2.93Å; Q405-S409 VanDerWaalsContact O-N 3.1Å; K406-S409 WeakPolarHBondContact O-CB 3.44Å; K406-S409 PolarHBondContact O-N 2.82Å; K406-S409 VanDerWaalsContact O-N 3.12Å; K406-S409 PolarHBondContact O-OG 2.93Å; A407-S409 VanDerWaalsContact C-N 3.28Å; A407-S409 PolarHBondContact O-N 2.8Å; S409-H411 PolarHBondContact O-N 3.22Å
410K91.5Very high91.1Very high4 Ų465.7 Ų65.72%0.01734%0.337CS..THydrogen-bonded Turntrans-81.39.2176-56.6-173.4169.3177.30114.4F363 F364 S366 N369 A407 L408 K412 E413 L422F363-K410 HydrophobicContact CE1-CB 4.15Å; F363-K410 HydrophobicContact CE1-CD 4.43Å; F363-K410 HydrophobicContact CZ-CB 3.89Å; F363-K410 PolarHBondContact O-NZ 2.98Å; F364-K410 VanDerWaalsContact C-NZ 3.3Å; F364-K410 PolarHBondContact O-NZ 2.87Å; S366-K410 WeakPolarHBondContact O-CE 3.39Å; S366-K410 PolarHBondContact O-NZ 2.9Å; N369-K410 VanDerWaalsContact O-CE 3.31Å; N369-K410 WeakPolarHBondContact O-CE 3.17Å; N369-K410 PolarHBondContact O-NZ 3.45Å; A407-K410 WeakPolarHBondContact O-CB 3.35Å; A407-K410 PolarHBondContact O-N 3.12Å; L408-K410 PolarHBondContact O-N 2.88Å; L408-K410 VanDerWaalsContact O-N 3.15Å; K410-K412 PolarHBondContact O-N 2.97Å; K410-E413 HydrophobicContact CB-CB 4.44Å; K410-E413 HydrophobicContact CB-CG 4.19Å; K410-E413 VanDerWaalsContact O-CB 3.31Å; K410-E413 WeakPolarHBondContact O-CB 3.38Å; K410-E413 PolarHBondContact O-N 2.89Å; K410-L422 HydrophobicContact CB-CD1 3.88Å
411H91Very high91.3Very high53 Ų5366.4 Ų66.425%0.24534%0.337CS..THydrogen-bonded Turntrans-60.4124.1179.1175.5106.2000110.8L408 S409 L422L408-H411 VanDerWaalsContact O-CB 3.25Å; L408-H411 WeakPolarHBondContact O-CB 3.36Å; L408-H411 PolarHBondContact O-N 2.94Å; L408-H411 VanDerWaalsContact O-N 3.1Å; S409-H411 PolarHBondContact O-N 3.22Å; H411-L422 HydrophobicContact CB-CB 4.22Å; H411-L422 PolarHBondContact ND1-N 3.47Å; H411-L422 PolarHBondContact ND1-O 2.89Å
412K92.2Very high91.7Very high134 Ų13463.9 Ų63.958%0.58333%0.325SS*.THydrogen-bonded Turntrans77.26-170.5-61.7155.3-179.5150.30116.7K410 I420K410-K412 PolarHBondContact O-N 2.97Å; K412-I420 WeakPolarHBondContact CA-O 3.48Å; K412-I420 PolarHBondContact N-O 2.92Å
413E93.3Very high91.7Very high85 Ų8560.7 Ų60.740%0.39731%0.31SS..  trans-64.6163.7162.7-70.3-176.2-164.900111.5F363 K410 Y419 I420F363-E413 HydrophobicContact CE2-CB 3.6Å; F363-E413 HydrophobicContact CZ-CB 3.99Å; K410-E413 HydrophobicContact CB-CB 4.44Å; K410-E413 HydrophobicContact CB-CG 4.19Å; K410-E413 VanDerWaalsContact O-CB 3.31Å; K410-E413 WeakPolarHBondContact O-CB 3.38Å; K410-E413 PolarHBondContact O-N 2.89Å; E413-Y419 CarbonylContact O-C 3.58Å; E413-Y419 WeakPolarHBondContact O-CA 3.27Å; E413-I420 PolarHBondContact O-N 2.74Å
414V92.6Very high91.7Very high88 Ų8860.6 Ų60.653%0.53331%0.307SS..EExtended strand (participates in β ladder)trans-109.7127-165.5175.20000112.4G416 R418V414-G416 WeakPolarHBondContact CG1-O 3.45Å; V414-R418 CarbonylContact C-O 3.55Å; V414-R418 VanDerWaalsContact CA-O 3.27Å; V414-R418 WeakPolarHBondContact CA-O 3.42Å; V414-R418 WeakPolarHBondContact CG1-O 3.37Å
415I92.7Very high91.6Very high4 Ų460.6 Ų60.62%0.02131%0.307CS..EExtended strand (participates in β ladder)trans-105.3116.7162.4-60.2179.4000108.4M348 L351 P352 R359 F363 T417 R418 I420M348-I415 HydrophobicContact CE-CD1 4.09Å; L351-I415 HydrophobicContact CD2-CD1 3.9Å; P352-I415 HydrophobicContact CG-CG2 4.16Å; P352-I415 WeakPolarHBondContact CG-O 3.41Å; R359-I415 HydrophobicContact CG-CG2 3.73Å; F363-I415 HydrophobicContact CB-CD1 3.79Å; F363-I415 HydrophobicContact CB-CG1 4.14Å; F363-I415 HydrophobicContact CD1-CD1 4.28Å; F363-I415 HydrophobicContact CD2-CD1 3.75Å; F363-I415 HydrophobicContact CD2-CG1 3.43Å; F363-I415 VanDerWaalsContact CD2-CG1 3.43Å; F363-I415 HydrophobicContact CE2-CD1 4.36Å; F363-I415 HydrophobicContact CE2-CG1 3.98Å; F363-I415 HydrophobicContact CG-CD1 3.69Å; F363-I415 HydrophobicContact CG-CG1 3.91Å; I415-T417 PolarHBondContact O-N 3.27Å; I415-R418 PolarHBondContact N-O 2.94Å; I415-R418 PolarHBondContact O-N 2.83Å; I415-R418 VanDerWaalsContact O-N 3.1Å; I415-I420 HydrophobicContact CB-CD1 4.11Å; I415-I420 HydrophobicContact CB-CG1 4.01Å; I415-I420 HydrophobicContact CD1-CD1 4.39Å; I415-I420 HydrophobicContact CD1-CG1 3.9Å; I415-I420 HydrophobicContact CG1-CD1 4.32Å; I415-I420 HydrophobicContact CG1-CG1 3.73Å
416G88.9Confident91.5Very high59 Ų5955.4 Ų55.461%0.60828%0.283SS*.THydrogen-bonded Turntrans64.7-104.3-178.900000111.6V414V414-G416 WeakPolarHBondContact CG1-O 3.45Å
417T88.8Confident91.3Very high132 Ų13252.2 Ų52.281%0.8127%0.27SS*.THydrogen-bonded Turntrans-117.910.918056.40000113.2I415I415-T417 PolarHBondContact O-N 3.27Å
418R93.3Very high91Very high121 Ų12152.3 Ų52.346%0.45727%0.271SS..EExtended strand (participates in β ladder)trans-120.3132.9-178.5-59.2-64.1-159.1-177.35.4111.2G350 P352 V414 I415 I420G350-R418 WeakPolarHBondContact O-CB 2.98Å; G350-R418 VanDerWaalsContact O-CG 3.31Å; G350-R418 WeakPolarHBondContact O-CG 3.48Å; P352-R418 HydrophobicContact CG-CB 4.25Å; P352-R418 HydrophobicContact CG-CG 3.95Å; V414-R418 CarbonylContact C-O 3.55Å; V414-R418 VanDerWaalsContact CA-O 3.27Å; V414-R418 WeakPolarHBondContact CA-O 3.42Å; V414-R418 WeakPolarHBondContact CG1-O 3.37Å; I415-R418 PolarHBondContact N-O 2.94Å; I415-R418 PolarHBondContact O-N 2.83Å; I415-R418 VanDerWaalsContact O-N 3.1Å; R418-I420 HydrophobicContact CB-CD1 4.27Å
419Y92.4Very high90.9Very high146 Ų14650.2 Ų50.257%0.57326%0.26SS*.EExtended strand (participates in β ladder)trans-69.9142.1160.664.1-94.8000109E413 E421E413-Y419 CarbonylContact O-C 3.58Å; E413-Y419 WeakPolarHBondContact O-CA 3.27Å; Y419-E421 HydrophobicContact CD2-CG 4.22Å; Y419-E421 HydrophobicContact CE2-CG 4Å
420I94.2Very high90.8Very high0 Ų047.1 Ų47.10%024%0.238CC..  trans-106.7123.7-177-56.2-50.1000109.7M348 R349 L351 F363 K412 E413 I415 R418 L422M348-I420 HydrophobicContact CB-CG2 4.18Å; M348-I420 HydrophobicContact CE-CG2 3.98Å; R349-I420 WeakPolarHBondContact O-CA 3.44Å; L351-I420 HydrophobicContact CD2-CD1 3.92Å; L351-I420 HydrophobicContact CD2-CG1 4.49Å; L351-I420 HydrophobicContact CG-CD1 4.45Å; F363-I420 HydrophobicContact CZ-CB 4.34Å; K412-I420 WeakPolarHBondContact CA-O 3.48Å; K412-I420 PolarHBondContact N-O 2.92Å; E413-I420 PolarHBondContact O-N 2.74Å; I415-I420 HydrophobicContact CB-CD1 4.11Å; I415-I420 HydrophobicContact CB-CG1 4.01Å; I415-I420 HydrophobicContact CD1-CD1 4.39Å; I415-I420 HydrophobicContact CD1-CG1 3.9Å; I415-I420 HydrophobicContact CG1-CD1 4.32Å; I415-I420 HydrophobicContact CG1-CG1 3.73Å; R418-I420 HydrophobicContact CB-CD1 4.27Å; I420-L422 HydrophobicContact CG2-CD2 3.61Å; I420-L422 HydrophobicContact CG2-CG 4.27Å
421E92.4Very high90.6Very high67 Ų6747.1 Ų47.131%0.31324%0.238SC..EExtended strand (participates in β ladder)trans-88.2120.7172.2-53.7-176.3106.300109.2M348 R349 Y419 F423M348-E421 CarbonylContact C-O 3.38Å; R349-E421 HydrophobicContact CB-CB 4.28Å; R349-E421 PolarHBondContact N-O 2.72Å; R349-E421 PolarHBondContact O-N 2.6Å; Y419-E421 HydrophobicContact CD2-CG 4.22Å; Y419-E421 HydrophobicContact CE2-CG 4Å; E421-F423 HydrophobicContact CB-CD2 4.43Å; E421-F423 HydrophobicContact CB-CE2 3.43Å; E421-F423 VanDerWaalsContact CB-CE2 3.43Å; E421-F423 HydrophobicContact CB-CZ 3.66Å; E421-F423 HydrophobicContact CG-CZ 4.49Å
422L92.8Very high90.4Very high4 Ų445.3 Ų45.32%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-106.7136.6178.5-55.5176.5000110.5I346 R347 M348 F363 F364 A407 L408 K410 H411 I420I346-L422 HydrophobicContact CG2-CB 4.26Å; I346-L422 HydrophobicContact CG2-CD2 4.31Å; R347-L422 WeakPolarHBondContact O-CA 3.47Å; M348-L422 HydrophobicContact CB-CD2 4.18Å; M348-L422 HydrophobicContact CE-CD2 4.07Å; M348-L422 HydrophobicContact CG-CD2 3.75Å; F363-L422 HydrophobicContact CE1-CD1 3.93Å; F363-L422 HydrophobicContact CE1-CD2 4.24Å; F363-L422 HydrophobicContact CZ-CD1 4.18Å; F364-L422 HydrophobicContact CE1-CD1 4.1Å; F364-L422 HydrophobicContact CE1-CD2 4.46Å; F364-L422 HydrophobicContact CZ-CD1 4.46Å; F364-L422 HydrophobicContact CZ-CD2 4Å; A407-L422 WeakPolarHBondContact O-CD1 3.41Å; L408-L422 HydrophobicContact CD2-CB 4.13Å; K410-L422 HydrophobicContact CB-CD1 3.88Å; H411-L422 HydrophobicContact CB-CB 4.22Å; H411-L422 PolarHBondContact ND1-N 3.47Å; H411-L422 PolarHBondContact ND1-O 2.89Å; I420-L422 HydrophobicContact CG2-CD2 3.61Å; I420-L422 HydrophobicContact CG2-CG 4.27Å
423F90.3Very high90.3Very high50 Ų5039.3 Ų39.322%0.21921%0.205CC..EExtended strand (participates in β ladder)trans-141.4137178.8-51-86.8000110.8I346 R347 R349 E421 S425I346-F423 CarbonylContact C-O 3.44Å; I346-F423 WeakPolarHBondContact CA-O 3.45Å; R347-F423 PolarHBondContact N-O 2.84Å; R347-F423 PolarHBondContact O-N 2.83Å; R349-F423 HydrophobicContact CB-CE2 4.46Å; R349-F423 HydrophobicContact CG-CD2 4.14Å; R349-F423 HydrophobicContact CG-CE2 3.88Å; E421-F423 HydrophobicContact CB-CD2 4.43Å; E421-F423 HydrophobicContact CB-CE2 3.43Å; E421-F423 VanDerWaalsContact CB-CE2 3.43Å; E421-F423 HydrophobicContact CB-CZ 3.66Å; E421-F423 HydrophobicContact CG-CZ 4.49Å; F423-S425 PolarHBondContact O-N 2.99Å
424R89.9Confident89.9Confident23 Ų2335.8 Ų35.89%0.08719%0.188CC..EExtended strand (participates in β ladder)trans-64.2128.4165.4174.2178-175.4132.221.8109.3D256 R283 V344 E401 L408D256-R424 IonicContact OD1-CZ 3.62Å; D256-R424 IonicContact OD1-NE 3.28Å; D256-R424 PolarHBondContact OD1-NE 2.81Å; R283-R424 PolarHBondContact NH1-O 3.38Å; R283-R424 PolarHBondContact NH2-O 2.82Å; V344-R424 HydrophobicContact CG1-CG 4.49Å; E401-R424 IonicContact OE1-CZ 3.55Å; E401-R424 IonicContact OE1-NH1 3.68Å; E401-R424 PolarHBondContact OE1-NH1 2.88Å; E401-R424 IonicContact OE2-CZ 3.86Å; E401-R424 IonicContact OE2-NH1 3.54Å; E401-R424 PolarHBondContact OE2-NH1 2.92Å; E401-R424 IonicContact OE2-NH2 2.74Å; E401-R424 PolarHBondContact OE2-NH2 2.82Å; L408-R424 HydrophobicContact CD1-CB 4.18Å
425S89.2Confident89.5Confident2 Ų233.2 Ų33.21%0.01417%0.172CC..EExtended strand (participates in β ladder)trans-126.2157.5-174.9-82.10000112.8R283 I345 R347 F423 E429R283-S425 PolarHBondContact NH2-OG 3.1Å; I345-S425 PolarHBondContact O-N 2.84Å; R347-S425 WeakPolarHBondContact CB-OG 3.42Å; F423-S425 PolarHBondContact O-N 2.99Å; S425-E429 WeakPolarHBondContact CA-OE2 3.41Å; S425-E429 VanDerWaalsContact CB-OE2 3.28Å; S425-E429 WeakPolarHBondContact CB-OE2 3.25Å; S425-E429 PolarHBondContact OG-OE2 3.47Å
426T87.9Confident89.1Confident2 Ų236.1 Ų36.11%0.01218%0.184CC..  trans-100163.5-179.298.20000111.3D256 V273 L275 A428 E429 V430D256-T426 HydrophobicContact CB-CG2 3.66Å; D256-T426 WeakPolarHBondContact OD2-CB 3.33Å; D256-T426 WeakPolarHBondContact OD2-CG2 3.46Å; V273-T426 PolarHBondContact O-OG1 3.2Å; L275-T426 HydrophobicContact CD1-CG2 3.69Å; L275-T426 HydrophobicContact CG-CG2 3.74Å; T426-A428 PolarHBondContact O-N 2.94Å; T426-A428 WeakPolarHBondContact OG1-CB 3.28Å; T426-A428 PolarHBondContact OG1-N 3.24Å; T426-A428 VanDerWaalsContact OG1-N 3.15Å; T426-E429 WeakPolarHBondContact O-CB 3.49Å; T426-E429 PolarHBondContact O-N 2.9Å; T426-E429 PolarHBondContact OG1-N 2.98Å; T426-V430 PolarHBondContact O-N 3.36Å
427T87.7Confident88.6Confident13 Ų1333.8 Ų33.88%0.0816%0.158CC..Hα-helixtrans-56.3-33173.459.20000112.7G231 L338 I345 Q431G231-T427 VanDerWaalsContact O-CB 3.29Å; G231-T427 WeakPolarHBondContact O-CB 3.48Å; G231-T427 VanDerWaalsContact O-CG2 3.31Å; G231-T427 WeakPolarHBondContact O-CG2 3.45Å; G231-T427 PolarHBondContact O-OG1 2.89Å; L338-T427 HydrophobicContact CD2-CG2 4.06Å; I345-T427 HydrophobicContact CD1-CG2 4.08Å; T427-Q431 WeakPolarHBondContact O-CG 3.28Å; T427-Q431 PolarHBondContact O-N 3.4Å; T427-Q431 PolarHBondContact O-NE2 3.15Å
428A87Confident88Confident1 Ų131.3 Ų31.31%0.00814%0.14CC..Hα-helixtrans-72.2-33.3172.900000112.7A274 A327 T426 Q431 Q432A274-A428 HydrophobicContact CB-CB 3.88Å; A327-A428 HydrophobicContact CB-CB 4.24Å; T426-A428 PolarHBondContact O-N 2.94Å; T426-A428 WeakPolarHBondContact OG1-CB 3.28Å; T426-A428 PolarHBondContact OG1-N 3.24Å; T426-A428 VanDerWaalsContact OG1-N 3.15Å; A428-Q431 PolarHBondContact O-N 2.93Å; A428-Q432 WeakPolarHBondContact O-CB 3.37Å; A428-Q432 WeakPolarHBondContact O-CG 3.38Å; A428-Q432 PolarHBondContact O-N 3.1Å; A428-Q432 PolarHBondContact O-NE2 3.48Å
429E89.1Confident86.8Confident2 Ų231.5 Ų31.51%0.00915%0.146CC..Hα-helixtrans-66.9-41.6178-159.2-179.4168.900111.3L277 R283 R347 S425 T426 Q431 Q432 V433L277-E429 HydrophobicContact CD1-CG 3.73Å; L277-E429 HydrophobicContact CD2-CG 4.05Å; L277-E429 HydrophobicContact CG-CG 4.1Å; R283-E429 IonicContact CZ-OE2 2.79Å; R283-E429 IonicContact NE-OE1 3.27Å; R283-E429 IonicContact NE-OE2 2.7Å; R283-E429 IonicContact NH2-OE1 3.56Å; R283-E429 IonicContact NH2-OE2 3.57Å; R283-E429 PolarHBondContact NH2-OE2 2.84Å; R347-E429 WeakPolarHBondContact CD-OE1 3.31Å; R347-E429 IonicContact CZ-OE1 2.72Å; R347-E429 IonicContact NH1-OE1 2.96Å; R347-E429 PolarHBondContact NH1-OE1 3.04Å; S425-E429 WeakPolarHBondContact CA-OE2 3.41Å; S425-E429 VanDerWaalsContact CB-OE2 3.28Å; S425-E429 WeakPolarHBondContact CB-OE2 3.25Å; S425-E429 PolarHBondContact OG-OE2 3.47Å; T426-E429 WeakPolarHBondContact O-CB 3.49Å; T426-E429 PolarHBondContact O-N 2.9Å; T426-E429 PolarHBondContact OG1-N 2.98Å; E429-Q431 PolarHBondContact O-N 3.08Å; E429-Q432 PolarHBondContact O-N 2.95Å; E429-V433 HydrophobicContact CG-CG2 4.5Å; E429-V433 WeakPolarHBondContact O-CB 3.3Å; E429-V433 VanDerWaalsContact O-CG2 3.28Å; E429-V433 WeakPolarHBondContact O-CG2 3.18Å; E429-V433 PolarHBondContact O-N 3.46Å
430V89.9Confident84.8Confident0 Ų027.6 Ų27.60%014%0.14CC..Hα-helixtrans-54.9-52.7173.8177.90000110.9A334 F337 L338 I345 L381 F395 T426 V433 I434A334-V430 HydrophobicContact CB-CG1 4.38Å; F337-V430 HydrophobicContact CD1-CG1 4.27Å; F337-V430 HydrophobicContact CE1-CG2 4.3Å; L338-V430 HydrophobicContact CD1-CB 4.4Å; L338-V430 HydrophobicContact CD1-CG1 4.39Å; L338-V430 HydrophobicContact CD2-CB 4.42Å; L338-V430 HydrophobicContact CD2-CG2 4.16Å; L338-V430 HydrophobicContact CG-CG1 4.5Å; I345-V430 HydrophobicContact CD1-CG2 4.16Å; I345-V430 HydrophobicContact CG2-CG2 3.95Å; L381-V430 HydrophobicContact CD2-CG1 4.19Å; F395-V430 HydrophobicContact CD1-CG2 3.68Å; F395-V430 HydrophobicContact CD2-CG1 4.23Å; F395-V430 HydrophobicContact CD2-CG2 4.26Å; F395-V430 HydrophobicContact CE1-CB 4.46Å; F395-V430 HydrophobicContact CE1-CG2 3.78Å; F395-V430 HydrophobicContact CE2-CB 4.39Å; F395-V430 HydrophobicContact CE2-CG1 4.34Å; F395-V430 HydrophobicContact CE2-CG2 4.38Å; F395-V430 HydrophobicContact CG-CG2 3.91Å; F395-V430 HydrophobicContact CZ-CB 4.34Å; F395-V430 HydrophobicContact CZ-CG2 4.15Å; T426-V430 PolarHBondContact O-N 3.36Å; V430-V433 PolarHBondContact O-N 3.42Å; V430-I434 HydrophobicContact CG1-CD1 3.72Å; V430-I434 WeakPolarHBondContact O-CD1 3.36Å; V430-I434 WeakPolarHBondContact O-CG1 3.49Å; V430-I434 PolarHBondContact O-N 3.44Å
431Q87Confident82.3Confident3 Ų332.5 Ų32.51%0.01417%0.17CC..Hα-helixtrans-65.8-42.1-176.5-66.3173.395.300112.3A327 A334 L338 T427 A428 E429 V433 N435A327-Q431 PolarHBondContact O-NE2 3.43Å; A334-Q431 HydrophobicContact CB-CG 4.43Å; L338-Q431 HydrophobicContact CD1-CG 4.08Å; T427-Q431 WeakPolarHBondContact O-CG 3.28Å; T427-Q431 PolarHBondContact O-N 3.4Å; T427-Q431 PolarHBondContact O-NE2 3.15Å; A428-Q431 PolarHBondContact O-N 2.93Å; E429-Q431 PolarHBondContact O-N 3.08Å; Q431-V433 PolarHBondContact O-N 3.08Å; Q431-N435 WeakPolarHBondContact O-CB 3.17Å; Q431-N435 PolarHBondContact O-N 2.98Å; Q431-N435 PolarHBondContact O-ND2 3.28Å
432Q87.6Confident79.6Confident16 Ų1636.9 Ų36.98%0.07519%0.188CC..Hα-helixtrans-61.1-41.5175.2-79.6174.27100113.2L275 L277 V326 A428 E429 K436L275-Q432 PolarHBondContact O-NE2 2.81Å; L277-Q432 HydrophobicContact CD1-CB 4.12Å; L277-Q432 VanDerWaalsContact N-OE1 3.09Å; V326-Q432 VanDerWaalsContact CG1-NE2 3.35Å; V326-Q432 WeakPolarHBondContact O-CG 3.4Å; V326-Q432 PolarHBondContact O-NE2 3.02Å; A428-Q432 WeakPolarHBondContact O-CB 3.37Å; A428-Q432 WeakPolarHBondContact O-CG 3.38Å; A428-Q432 PolarHBondContact O-N 3.1Å; A428-Q432 PolarHBondContact O-NE2 3.48Å; E429-Q432 PolarHBondContact O-N 2.95Å; Q432-K436 WeakPolarHBondContact O-CB 3.4Å; Q432-K436 VanDerWaalsContact O-CG 3.27Å; Q432-K436 WeakPolarHBondContact O-CG 3.26Å; Q432-K436 PolarHBondContact O-N 3.37Å; Q432-K436 VanDerWaalsContact O-N 3.08Å
433V88.6Confident76.8Confident8 Ų843 Ų435%0.04823%0.225CC..Hα-helixtrans-69.4-39.6-176.9169.40000111.2L277 V383 F395 E429 V430 Q431 K436 S437L277-V433 HydrophobicContact CD1-CG2 3.45Å; L277-V433 VanDerWaalsContact CD1-CG2 3.45Å; V383-V433 HydrophobicContact CB-CG1 4.26Å; V383-V433 HydrophobicContact CG1-CG1 3.65Å; V383-V433 HydrophobicContact CG2-CG1 3.69Å; F395-V433 HydrophobicContact CE2-CB 3.97Å; F395-V433 HydrophobicContact CE2-CG1 3.91Å; F395-V433 HydrophobicContact CZ-CB 3.83Å; F395-V433 HydrophobicContact CZ-CG1 4.08Å; F395-V433 HydrophobicContact CZ-CG2 3.95Å; E429-V433 HydrophobicContact CG-CG2 4.5Å; E429-V433 WeakPolarHBondContact O-CB 3.3Å; E429-V433 VanDerWaalsContact O-CG2 3.28Å; E429-V433 WeakPolarHBondContact O-CG2 3.18Å; E429-V433 PolarHBondContact O-N 3.46Å; V430-V433 PolarHBondContact O-N 3.42Å; Q431-V433 PolarHBondContact O-N 3.08Å; V433-K436 PolarHBondContact O-N 3.3Å; V433-S437 PolarHBondContact O-N 3.3Å
434I86.4Confident74.1Confident10 Ų1044.8 Ų44.85%0.05124%0.237CC..Hα-helixtrans-71.7-41.9178.1-61.1162.3000111N331 A334 L381 V430 K436 S437 L438N331-I434 HydrophobicContact CB-CG2 4.43Å; N331-I434 WeakPolarHBondContact ND2-CG2 3.36Å; A334-I434 HydrophobicContact CB-CD1 3.72Å; L381-I434 HydrophobicContact CD2-CD1 3.7Å; L381-I434 HydrophobicContact CG-CD1 4.48Å; V430-I434 HydrophobicContact CG1-CD1 3.72Å; V430-I434 WeakPolarHBondContact O-CD1 3.36Å; V430-I434 WeakPolarHBondContact O-CG1 3.49Å; V430-I434 PolarHBondContact O-N 3.44Å; I434-K436 VanDerWaalsContact C-N 3.31Å; I434-K436 PolarHBondContact O-N 2.88Å; I434-S437 PolarHBondContact O-N 2.89Å; I434-S437 PolarHBondContact O-OG 2.59Å; I434-S437 VanDerWaalsContact O-OG 3.05Å; I434-L438 HydrophobicContact CG2-CD1 4Å; I434-L438 VanDerWaalsContact O-CG 3.31Å; I434-L438 WeakPolarHBondContact O-CG 3.44Å; I434-L438 PolarHBondContact O-N 3.15Å; I434-L438 VanDerWaalsContact O-N 3.09Å
435N83.8Confident71.7Confident34 Ų3450.3 Ų50.318%0.18227%0.268CS..Hα-helixtrans-55.6-47.8172.4-70.9-14.6000110.8N331 Q431 S437 L438 E439N331-N435 PolarHBondContact ND2-OD1 3.25Å; Q431-N435 WeakPolarHBondContact O-CB 3.17Å; Q431-N435 PolarHBondContact O-N 2.98Å; Q431-N435 PolarHBondContact O-ND2 3.28Å; N435-S437 PolarHBondContact O-N 3.24Å; N435-L438 PolarHBondContact O-N 3.37Å; N435-E439 WeakPolarHBondContact O-CB 3.23Å; N435-E439 VanDerWaalsContact O-CG 3.24Å; N435-E439 WeakPolarHBondContact O-CG 3.42Å; N435-E439 PolarHBondContact O-N 3.36Å
436K83.2Confident69.1Low65 Ų6556.9 Ų56.928%0.28330%0.303SS..Hα-helixtrans-67.7-28-179.4-73.4170.9178.9173.70114.2L277 S278 Q432 V433 I434L277-K436 PolarHBondContact O-NZ 3.39Å; S278-K436 PolarHBondContact O-NZ 2.98Å; Q432-K436 WeakPolarHBondContact O-CB 3.4Å; Q432-K436 VanDerWaalsContact O-CG 3.27Å; Q432-K436 WeakPolarHBondContact O-CG 3.26Å; Q432-K436 PolarHBondContact O-N 3.37Å; Q432-K436 VanDerWaalsContact O-N 3.08Å; V433-K436 PolarHBondContact O-N 3.3Å; I434-K436 VanDerWaalsContact C-N 3.31Å; I434-K436 PolarHBondContact O-N 2.88Å
437S80.2Confident66.5Low10 Ų1064.5 Ų64.57%0.0734%0.343CS..Hα-helixtrans-75.6-33.2173.572.90000112N384 A386 V433 I434 N435 S440N384-S437 WeakPolarHBondContact O-CB 3.26Å; N384-S437 PolarHBondContact O-OG 3.37Å; A386-S437 PolarHBondContact N-O 2.98Å; V433-S437 PolarHBondContact O-N 3.3Å; I434-S437 PolarHBondContact O-N 2.89Å; I434-S437 PolarHBondContact O-OG 2.59Å; I434-S437 VanDerWaalsContact O-OG 3.05Å; N435-S437 PolarHBondContact O-N 3.24Å; S437-S440 PolarHBondContact O-OG 3.35Å
438L76Confident63.9Low80 Ų8070.4 Ų70.442%0.41937%0.374SS..Hα-helixtrans-74.8-38.3175.7-66.9171.2000113.3A386 I434 N435 S440A386-L438 HydrophobicContact CB-CD2 4.26Å; I434-L438 HydrophobicContact CG2-CD1 4Å; I434-L438 VanDerWaalsContact O-CG 3.31Å; I434-L438 WeakPolarHBondContact O-CG 3.44Å; I434-L438 PolarHBondContact O-N 3.15Å; I434-L438 VanDerWaalsContact O-N 3.09Å; N435-L438 PolarHBondContact O-N 3.37Å; L438-S440 PolarHBondContact O-N 3.44Å; L438-S440 VanDerWaalsContact O-N 3.08Å
439E66.5Low61.1Low125 Ų12575.6 Ų75.658%0.58441%0.407SS*.G310 helixtrans-61.1-17.5-179.9-79162.8-172.100114N435 V441 K442N435-E439 WeakPolarHBondContact O-CB 3.23Å; N435-E439 VanDerWaalsContact O-CG 3.24Å; N435-E439 WeakPolarHBondContact O-CG 3.42Å; N435-E439 PolarHBondContact O-N 3.36Å; E439-V441 PolarHBondContact O-N 3.42Å; E439-K442 PolarHBondContact O-N 3.21Å
440S52Low58.3Low65 Ų6580 Ų8046%0.45544%0.444SS..G310 helixtrans-66.612.3-17567.80000116.8S437 L438S437-S440 PolarHBondContact O-OG 3.35Å; L438-S440 PolarHBondContact O-N 3.44Å; L438-S440 VanDerWaalsContact O-N 3.08Å
441V41.1Very low55.4Low103 Ų10385.3 Ų85.362%0.62448%0.476SS*.G310 helixtrans-125-3.1178.6-179.90000113.2A386 E439A386-V441 HydrophobicContact CB-CG2 3.81Å; E439-V441 PolarHBondContact O-N 3.42Å
442K35.9Very low52.6Low158 Ų15892.3 Ų92.369%0.68751%0.514SS*.  trans-117.780.4-178.5-82.4177.2162.7-88.50114.2E439 D444E439-K442 PolarHBondContact O-N 3.21Å; K442-D444 WeakPolarHBondContact CG-OD2 3.49Å; K442-D444 IonicContact NZ-OD2 3.42Å; K442-D444 PolarHBondContact NZ-OD2 3.36Å; K442-D444 PolarHBondContact O-N 2.95Å; K442-D444 VanDerWaalsContact O-N 3.16Å
443V34.2Very low49.9Very low132 Ų13297.7 Ų97.780%0.854%0.542SS*.  trans-83.959.9154.4-170.20000108.5L445V443-L445 HydrophobicContact CG1-CD1 4.02Å; V443-L445 PolarHBondContact O-N 3.03Å
444D32.6Very low47Very low89 Ų89105.7 Ų105.748%0.47658%0.583SS.*  trans-74.3104.6172.4-87.2-47.7000108.5K442 N446K442-D444 WeakPolarHBondContact CG-OD2 3.49Å; K442-D444 IonicContact NZ-OD2 3.42Å; K442-D444 PolarHBondContact NZ-OD2 3.36Å; K442-D444 PolarHBondContact O-N 2.95Å; K442-D444 VanDerWaalsContact O-N 3.16Å; D444-N446 PolarHBondContact O-N 2.92Å
445L40.1Very low44.3Very low139 Ų139108.7 Ų108.773%0.72862%0.617SS**G310 helixtrans-62.33.9-178-115.370.4000115.3V443V443-L445 HydrophobicContact CG1-CD1 4.02Å; V443-L445 PolarHBondContact O-N 3.03Å
446N34.5Very low41.6Very low140 Ų140110.6 Ų110.675%0.74964%0.644SS**G310 helixtrans-940-162.9-62.2-37000114.7D444D444-N446 PolarHBondContact O-N 2.92Å
447N33.8Very low39.1Very low162 Ų162115.2 Ų115.287%0.86667%0.671SS**G310 helixtrans-127.320.4-176-13626.3000114.7
448L32.1Very low36.9Very low137 Ų137123.3 Ų123.372%0.71771%0.708SS**SBendtrans-65.3141.1151.4-76.6164.1000108.1A450L448-A450 PolarHBondContact O-N 3.49Å; L448-A450 VanDerWaalsContact O-N 3.13Å
449P28.8Very low34.9Very low109 Ų109125.4 Ų125.471%0.70872%0.724SS**  trans-59.7122.6171.726-33000108.4V451P449-V451 PolarHBondContact O-N 2.9Å
450A29.3Very low33.2Very low96 Ų96131 Ų13179%0.79374%0.74SS**  trans-70.978-175.300000111.2L448 N452L448-A450 PolarHBondContact O-N 3.49Å; L448-A450 VanDerWaalsContact O-N 3.13Å; A450-N452 PolarHBondContact O-N 3Å
451V30.4Very low32.2Very low110 Ų110132.3 Ų132.367%0.66776%0.755SS**  trans-68.784.1170.4177.40000107.2P449 I453P449-V451 PolarHBondContact O-N 2.9Å; V451-I453 HydrophobicContact CG1-CD1 3.55Å; V451-I453 HydrophobicContact CG1-CG1 3.88Å; V451-I453 PolarHBondContact O-N 2.87Å
452N27.3Very low31.9Very low151 Ų151135.1 Ų135.181%0.80777%0.766SS**  trans-77.568.3-163.9-159.78.9000111.7A450A450-N452 PolarHBondContact O-N 3Å
453I31.2Very low31.9Very low129 Ų129134.9 Ų134.966%0.66277%0.772SS**  trans-103.4120.9-177.4-67.2178.9000108.6V451V451-I453 HydrophobicContact CG1-CD1 3.55Å; V451-I453 HydrophobicContact CG1-CG1 3.88Å; V451-I453 PolarHBondContact O-N 2.87Å
454L27.2Very low31.9Very low175 Ų175134.5 Ų134.592%0.91677%0.772SS**SBendtrans69.184176.9-57.8161.7000115.7
455G29.3Very low31.9Very low74 Ų74134.1 Ų134.176%0.76379%0.789SS**  trans-158.414.6174.700000117.1
456G28.5Very low31.5Very low73 Ų73131.7 Ų131.775%0.75379%0.789SS**  trans-94.6105.9-172.900000114.7
457L30.4Very low31.2Very low163 Ų163133 Ų13385%0.85379%0.794SS**  trans-179.9154.6138.8-102.1166000112.9
458Q33.9Very low30.9Very low179 Ų179129.1 Ų129.184%0.83679%0.792SS**  trans73.4117.9177.4-43.9-169.234.400114.4
459T33.8Very low30.9Very low125 Ų125127.4 Ų127.477%0.76780%0.798SS**  cis-146.4152.723.953.50000115.4
460R31.8Very low31.1Very low242 Ų242127.1 Ų127.191%0.91381%0.805SS**  trans72108155.7-80.1-178.9150.2164-6.6122.6
461A30.8Very low31Very low93 Ų93130.6 Ų130.677%0.76981%0.809SS**  trans66.8105.7138.300000119.1
462N34.7Very low31.1Very low161 Ų161130.9 Ų130.986%0.86181%0.813SS**  -151.3178.556.4-117.6-17.6000114.2
463L35Very low31.1Very low153 Ų153127.9 Ų127.980%0.80181%0.809SS**  trans-101.6177.6-170.9-66.788.2000113.1
464P34.2Very low31.2Very low125 Ų125129.2 Ų129.281%0.81282%0.817SS**  cis-133.4158.4-10.222.60.7000117.4
465G32.2Very low31.4Very low80 Ų80128.4 Ų128.483%0.82581%0.813SS**  trans100.4147145.800000118.5
466A31.7Very low31.5Very low88 Ų88129.7 Ų129.773%0.72781%0.808SS**  cis-160.7149.9-11.300000113.9
467I29Very low31.4Very low169 Ų169135 Ų13587%0.86781%0.813SS**  trans5399.5153.460172.2000123.9
468G28Very low31.3Very low80 Ų80135.1 Ų135.183%0.82581%0.809SS**  78.5163.3128.400000120.8
469A31.8Very low31Very low101 Ų101131.4 Ų131.484%0.83581%0.808SS**  cis-166.3167.7-14.100000112.3
470A31.9Very low30.9Very low103 Ų103131.5 Ų131.585%0.85180%0.799SS**  trans80.1128.1160.400000121.8
471L27.9Very low31.3Very low169 Ų169124.5 Ų124.589%0.88578%0.778SS**  trans-106-163.8163.3-68.1164000107.3
472P33.6Very low31.8Very low115 Ų115125.6 Ų125.675%0.74778%0.776SS**  cis-142.9169.4-0.342.7-23.3000118.9
473A27.3Very low32.8Very low88 Ų88119.1 Ų119.173%0.72775%0.747SS**  trans50.9134.4139.600000124.1
474L32.5Very low34.1Very low157 Ų157117 Ų11782%0.82275%0.745SS**  -157.6105116.5-140.487000115.1
475L31.1Very low36Very low159 Ų159119.5 Ų119.583%0.83274%0.738SS**  trans58.3159.7146.6-65.9171.3000122.5
476P30.8Very low38.5Very low101 Ų101122.5 Ų122.566%0.65672%0.724SS**  trans-123.6-171.1-155.545-32.4000114.6
477H26.6Very low41.2Very low184 Ų184119 Ų11985%0.85269%0.694SS**  trans-168.6168.1131.6-101.472.9000109.5
478Q29.3Very low44.1Very low165 Ų165111 Ų11177%0.77165%0.652SS**  trans6182.4-175.3-67.4-171.6-22.600116.4F480Q478-F480 HydrophobicContact CB-CD2 4.42Å; Q478-F480 HydrophobicContact CB-CE2 4.15Å
479A26.5Very low47.2Very low101 Ų101107.2 Ų107.284%0.83561%0.613SS**  trans-89.1102.8158.700000109.3
480F32.6Very low50.2Low128 Ų128104.7 Ų104.756%0.56158%0.582SS**  trans-72.9131.1170.2-78.3-95.7000109.8Q478 T482Q478-F480 HydrophobicContact CB-CD2 4.42Å; Q478-F480 HydrophobicContact CB-CE2 4.15Å; F480-T482 PolarHBondContact O-N 3.16Å
481I39Very low53.1Low94 Ų9499.8 Ų99.848%0.48254%0.542SS..  trans-84.898.1174.3-66.8165.2000107.8Q536 A571I481-Q536 VanDerWaalsContact CD1-OE1 3.31Å; I481-A571 VanDerWaalsContact O-CB 3.31Å; I481-A571 WeakPolarHBondContact O-CB 3.36Å
482T42.1Very low56.1Low117 Ų11796.3 Ų96.372%0.71852%0.517SS*.  trans-83.4129.7169.948.90000109.3F480F480-T482 PolarHBondContact O-N 3.16Å
483G55Low58.8Low25 Ų2592.5 Ų92.526%0.25850%0.498SS..  trans165.6134.1-178.700000115.4R485 D572G483-R485 PolarHBondContact O-N 2.96Å; G483-D572 VanDerWaalsContact C-OD2 3.24Å; G483-D572 PolarHBondContact N-OD1 2.74Å
484S63Low61.8Low107 Ų10788.4 Ų88.475%0.74846%0.464SS*.  trans-70.710179.656.50000115.5D572S484-D572 PolarHBondContact N-OD2 2.66Å
485R73.9Confident64.4Low178 Ų17881.2 Ų81.267%0.67243%0.427SS*.  trans-70.9144.3176.5-74.5-175169.6-171.7-3.5110.4G483 D487 S570G483-R485 PolarHBondContact O-N 2.96Å; R485-D487 VanDerWaalsContact C-N 3.27Å; R485-D487 WeakPolarHBondContact CB-OD2 3.34Å; R485-D487 PolarHBondContact O-N 3.12Å; R485-S570 VanDerWaalsContact O-CA 3.24Å; R485-S570 WeakPolarHBondContact O-CA 3.44Å; R485-S570 WeakPolarHBondContact O-CB 3.49Å
486R84.3Confident67Low143 Ų14380.5 Ų80.554%0.5441%0.414SS..  trans-96.343.5176.3-62.6-179.7172-162.4-2111.9C488 E540 A543 Q568 C569R486-C488 PolarHBondContact O-N 2.88Å; R486-E540 HydrophobicContact CB-CG 3.98Å; R486-A543 VanDerWaalsContact O-CB 3.29Å; R486-A543 WeakPolarHBondContact O-CB 3.37Å; R486-Q568 HydrophobicContact CB-CG 4.1Å; R486-Q568 PolarHBondContact O-NE2 2.81Å; R486-C569 CarbonylContact C-O 3.58Å; R486-C569 WeakPolarHBondContact CA-O 3.31Å
487D88.4Confident69.7Low16 Ų1679.9 Ų79.99%0.08640%0.402CS..  trans-84.69.3177.253.827.8000113.1R485 L537R485-D487 VanDerWaalsContact C-N 3.27Å; R485-D487 WeakPolarHBondContact CB-OD2 3.34Å; R485-D487 PolarHBondContact O-N 3.12Å; D487-L537 WeakPolarHBondContact O-CB 3.49Å; D487-L537 PolarHBondContact O-N 2.9Å
488C90.6Very high72.6Confident0 Ų071.6 Ų71.60%037%0.366CS..EExtended strand (participates in β ladder)trans-114.6154.9-180-61.80000112R486 I535 C569 M574R486-C488 PolarHBondContact O-N 2.88Å; C488-I535 CarbonylContact C-O 3.56Å; C488-I535 WeakPolarHBondContact CA-O 3.3Å; C488-C569 CarbonylContact C-O 3.57Å; C488-C569 WeakPolarHBondContact CB-O 3.24Å; C488-C569 PolarHBondContact N-O 2.87Å; C488-C569 PolarHBondContact O-N 3.48Å; C488-M574 HydrophobicContact CB-CE 3.81Å; C488-M574 WeakPolarHBondContact SG-CE 3.17Å
489I93.8Very high75.4Confident0 Ų070.1 Ų70.10%036%0.359CS..EExtended strand (participates in β ladder)trans-129147.1170.161174.1000111.2L507 F534 I535 L537 A543 A546 A547 V566 F567I489-L507 HydrophobicContact CD1-CD2 3.91Å; I489-F534 CarbonylContact O-C 3.44Å; I489-F534 WeakPolarHBondContact O-CA 3.39Å; I489-I535 HydrophobicContact CD1-CB 4.34Å; I489-I535 HydrophobicContact CD1-CD1 4.29Å; I489-I535 HydrophobicContact CG1-CB 3.79Å; I489-I535 HydrophobicContact CG1-CD1 4.47Å; I489-I535 HydrophobicContact CG1-CG1 4.41Å; I489-I535 PolarHBondContact N-O 2.9Å; I489-I535 PolarHBondContact O-N 2.89Å; I489-L537 HydrophobicContact CD1-CD1 4Å; I489-L537 HydrophobicContact CG1-CD1 4.12Å; I489-L537 HydrophobicContact CG2-CD1 4.14Å; I489-A543 HydrophobicContact CG2-CB 4.03Å; I489-A543 WeakPolarHBondContact CG2-O 3.49Å; I489-A546 HydrophobicContact CD1-CB 4.17Å; I489-A547 HydrophobicContact CG2-CB 4.2Å; I489-V566 HydrophobicContact CB-CG1 4.2Å; I489-V566 HydrophobicContact CD1-CG1 4.11Å; I489-F567 CarbonylContact C-O 3.58Å; I489-F567 VanDerWaalsContact CA-O 3.24Å; I489-F567 WeakPolarHBondContact CA-O 3.21Å
490R93.3Very high78.4Confident49 Ų4968 Ų6819%0.18534%0.335CS..EExtended strand (participates in β ladder)trans-109.7125.8172.9-173.1-176.5-169.8159.92.8109.6E532 A533 F534 V566 F567R490-E532 IonicContact CZ-OE1 2.7Å; R490-E532 IonicContact CZ-OE2 3.33Å; R490-E532 IonicContact NE-OE1 2.69Å; R490-E532 PolarHBondContact NE-OE1 2.96Å; R490-E532 IonicContact NE-OE2 3.97Å; R490-E532 PolarHBondContact NE-OE2 3.44Å; R490-E532 VanDerWaalsContact NH2-CD 3.29Å; R490-E532 IonicContact NH2-OE1 2.6Å; R490-E532 PolarHBondContact NH2-OE1 2.9Å; R490-E532 VanDerWaalsContact NH2-OE1 3.07Å; R490-E532 IonicContact NH2-OE2 2.69Å; R490-E532 PolarHBondContact NH2-OE2 3.1Å; R490-A533 CarbonylContact C-O 3.58Å; R490-A533 WeakPolarHBondContact CA-O 3.14Å; R490-F534 HydrophobicContact CB-CD1 3.88Å; R490-F534 HydrophobicContact CB-CE1 3.74Å; R490-F534 HydrophobicContact CB-CZ 4.5Å; R490-F534 HydrophobicContact CG-CD1 3.99Å; R490-F534 HydrophobicContact CG-CE1 3.58Å; R490-F534 HydrophobicContact CG-CE2 4.46Å; R490-F534 HydrophobicContact CG-CZ 3.84Å; R490-V566 WeakPolarHBondContact O-CA 3.4Å; R490-F567 PolarHBondContact N-O 3.01Å; R490-F567 PolarHBondContact O-N 3.34Å
491L93.7Very high81.1Confident0 Ų065.3 Ų65.30%033%0.331CS..EExtended strand (participates in β ladder)trans-91.4140.1168.6-56.8-172.3000110.1L494 V503 F506 E532 A533 I535 I564 E565 V566L491-L494 HydrophobicContact CB-CD1 4.09Å; L491-L494 HydrophobicContact CB-CD2 4.5Å; L491-L494 HydrophobicContact CB-CG 4.26Å; L491-L494 HydrophobicContact CD1-CD1 4.35Å; L491-L494 HydrophobicContact CD1-CD2 4.15Å; L491-V503 HydrophobicContact CD1-CG1 3.8Å; L491-V503 HydrophobicContact CD1-CG2 4.38Å; L491-F506 HydrophobicContact CD1-CD1 4.32Å; L491-F506 HydrophobicContact CD2-CD1 4.49Å; L491-F506 HydrophobicContact CD2-CE1 4.06Å; L491-E532 VanDerWaalsContact O-CA 3.3Å; L491-E532 WeakPolarHBondContact O-CA 3.34Å; L491-A533 HydrophobicContact CB-CB 4.45Å; L491-A533 PolarHBondContact N-O 2.89Å; L491-A533 PolarHBondContact O-N 3.03Å; L491-I535 HydrophobicContact CD1-CD1 3.85Å; L491-I535 HydrophobicContact CG-CD1 4.12Å; L491-I564 HydrophobicContact CB-CG2 4.03Å; L491-I564 HydrophobicContact CD2-CG2 4.07Å; L491-I564 HydrophobicContact CG-CG2 4.47Å; L491-E565 CarbonylContact C-O 3.54Å; L491-E565 WeakPolarHBondContact CA-O 3.32Å; L491-V566 HydrophobicContact CD2-CB 4.22Å; L491-V566 HydrophobicContact CD2-CG1 3.87Å; L491-V566 HydrophobicContact CD2-CG2 3.57Å
492R91.5Very high83.6Confident96 Ų9662.8 Ų62.836%0.36232%0.318SS..EExtended strand (participates in β ladder)trans-133.2146174.5-88.8-177.8161.6-176.4-6.9111.5E532 I564 E565 F567R492-E532 HydrophobicContact CG-CG 4.09Å; R492-E532 IonicContact CZ-OE1 3.61Å; R492-E532 VanDerWaalsContact CZ-OE1 3.24Å; R492-E532 IonicContact NE-OE1 3.07Å; R492-E532 PolarHBondContact NE-OE1 2.8Å; R492-E532 IonicContact NH2-OE1 3.5Å; R492-E532 PolarHBondContact NH2-OE1 3.24Å; R492-I564 WeakPolarHBondContact O-CA 3.15Å; R492-I564 WeakPolarHBondContact O-CG2 3.43Å; R492-E565 HydrophobicContact CB-CB 4.02Å; R492-E565 PolarHBondContact N-O 3.23Å; R492-E565 PolarHBondContact O-N 2.95Å; R492-F567 HydrophobicContact CB-CE2 4.4Å
493G89.4Confident86Confident35 Ų3557.2 Ų57.236%0.36128%0.284SS..SBendtrans89.38.6179.600000114.5G531 R562G493-G531 PolarHBondContact N-O 3Å; G493-R562 WeakPolarHBondContact O-CD 3.32Å
494L90Very high87.7Confident2 Ų258.9 Ų58.91%0.0129%0.287CS..  trans-54.4139.4177.6-67.1171000110.7L491 A498 V503 M521 G531 A533 L555 R562 I564L491-L494 HydrophobicContact CB-CD1 4.09Å; L491-L494 HydrophobicContact CB-CD2 4.5Å; L491-L494 HydrophobicContact CB-CG 4.26Å; L491-L494 HydrophobicContact CD1-CD1 4.35Å; L491-L494 HydrophobicContact CD1-CD2 4.15Å; L494-A498 HydrophobicContact CB-CB 4.14Å; L494-A498 HydrophobicContact CD2-CB 4.44Å; L494-V503 HydrophobicContact CD1-CG2 4.42Å; L494-V503 HydrophobicContact CD2-CG2 4.45Å; L494-M521 HydrophobicContact CD1-CE 4.19Å; L494-G531 PolarHBondContact N-O 2.96Å; L494-G531 WeakPolarHBondContact O-CA 3.23Å; L494-A533 HydrophobicContact CD1-CB 3.59Å; L494-L555 HydrophobicContact CD2-CD2 3.98Å; L494-R562 PolarHBondContact O-NH1 2.93Å; L494-I564 HydrophobicContact CD2-CD1 3.89Å; L494-I564 HydrophobicContact CD2-CG1 4.36Å; L494-I564 HydrophobicContact CD2-CG2 4.41Å; L494-I564 HydrophobicContact CG-CD1 4.46Å
495P87.7Confident89Confident5 Ų559.9 Ų59.93%0.03228%0.284CS..  trans-56.1151.6165.6-22.533.9000111.2E497 A498 L555 I557 R562P495-E497 WeakPolarHBondContact CB-OE2 3.43Å; P495-E497 PolarHBondContact O-N 2.72Å; P495-A498 VanDerWaalsContact O-CB 3.23Å; P495-A498 WeakPolarHBondContact O-CB 3.48Å; P495-A498 PolarHBondContact O-N 2.92Å; P495-A498 VanDerWaalsContact O-N 3.1Å; P495-L555 HydrophobicContact CG-CD2 4.03Å; P495-I557 HydrophobicContact CB-CD1 4.18Å; P495-I557 HydrophobicContact CG-CD1 4.08Å; P495-R562 HydrophobicContact CG-CB 4.48Å; P495-R562 HydrophobicContact CG-CG 4.41Å
496Y86.5Confident89.9Confident145 Ų14552 Ų5257%0.56925%0.254SS*.THydrogen-bonded Turntrans-71.1-10.4178.4-56.1-56.6000112.6P529Y496-P529 VanDerWaalsContact CD1-O 3.3Å; Y496-P529 WeakPolarHBondContact CD1-O 3.47Å; Y496-P529 WeakPolarHBondContact O-CG 3.47Å
497E87.5Confident90.3Very high88 Ų8845.2 Ų45.241%0.41123%0.229SC..THydrogen-bonded Turntrans-96.213.5172.9-48.987.1163.900113.2P495 N502 K560P495-E497 WeakPolarHBondContact CB-OE2 3.43Å; P495-E497 PolarHBondContact O-N 2.72Å; E497-N502 PolarHBondContact O-ND2 3.37Å; E497-K560 IonicContact OE1-NZ 3.54Å; E497-K560 PolarHBondContact OE1-NZ 2.92Å
498A87Confident90.3Very high10 Ų1045.7 Ų45.78%0.08324%0.238CC..  trans-81.3118.2179.300000112.1L494 P495 M521 L555 I557L494-A498 HydrophobicContact CB-CB 4.14Å; L494-A498 HydrophobicContact CD2-CB 4.44Å; P495-A498 VanDerWaalsContact O-CB 3.23Å; P495-A498 WeakPolarHBondContact O-CB 3.48Å; P495-A498 PolarHBondContact O-N 2.92Å; P495-A498 VanDerWaalsContact O-N 3.1Å; A498-M521 VanDerWaalsContact O-CE 3.27Å; A498-M521 WeakPolarHBondContact O-CE 3.35Å; A498-L555 HydrophobicContact CB-CD2 4.32Å; A498-I557 HydrophobicContact CB-CD1 3.89Å
499E88.5Confident90.3Very high133 Ų13350.8 Ų50.862%0.62127%0.265SS*.  trans-102.5169171.1-63.3-176.5-175.300111.4P501 N502 V503E499-P501 VanDerWaalsContact C-CD 3.46Å; E499-N502 PolarHBondContact N-ND2 3.06Å; E499-N502 WeakPolarHBondContact O-CB 3.37Å; E499-N502 PolarHBondContact O-N 3.37Å; E499-N502 VanDerWaalsContact O-N 3.09Å; E499-V503 PolarHBondContact O-N 2.72Å
500V88.5Confident90.2Very high57 Ų5752.7 Ų52.735%0.34527%0.273SS..Hα-helixtrans-53.6-40.6179.41770000113.9N502 V503 L504 V519 M521V500-N502 VanDerWaalsContact C-N 3.35Å; V500-N502 PolarHBondContact O-N 2.79Å; V500-V503 WeakPolarHBondContact O-CB 3.3Å; V500-V503 PolarHBondContact O-N 3.03Å; V500-L504 HydrophobicContact CG1-CD1 4.31Å; V500-L504 PolarHBondContact O-N 3.43Å; V500-L504 VanDerWaalsContact O-N 3.08Å; V500-V519 HydrophobicContact CG1-CB 4.11Å; V500-V519 HydrophobicContact CG1-CG1 4.06Å; V500-V519 HydrophobicContact CG1-CG2 4.41Å; V500-V519 HydrophobicContact CG2-CG1 4.15Å; V500-M521 HydrophobicContact CG2-CG 3.94Å; V500-M521 HydrophobicContact CG2-SD 4.45Å
501P90.5Very high90Very high71 Ų7152.4 Ų52.446%0.46128%0.279SS..Hα-helixtrans-58.5-44.4175.2-25.436.2000112.8E499 V503 L504 D505E499-P501 VanDerWaalsContact C-CD 3.46Å; P501-V503 PolarHBondContact O-N 2.84Å; P501-L504 PolarHBondContact O-N 3.49Å; P501-D505 PolarHBondContact O-N 2.95Å
502N91.2Very high89.7Confident41 Ų4159.7 Ų59.722%0.21931%0.311CS..Hα-helixtrans-62.1-31.7179.9-50.7-13.3000111.4E497 E499 V500 F506 L555 I557E497-N502 PolarHBondContact O-ND2 3.37Å; E499-N502 PolarHBondContact N-ND2 3.06Å; E499-N502 WeakPolarHBondContact O-CB 3.37Å; E499-N502 PolarHBondContact O-N 3.37Å; E499-N502 VanDerWaalsContact O-N 3.09Å; V500-N502 VanDerWaalsContact C-N 3.35Å; V500-N502 PolarHBondContact O-N 2.79Å; N502-F506 WeakPolarHBondContact O-CB 3.16Å; N502-F506 PolarHBondContact O-N 2.92Å; N502-F506 VanDerWaalsContact O-N 3.07Å; N502-L555 WeakPolarHBondContact O-CD1 3.28Å; N502-I557 HydrophobicContact CB-CD1 4.25Å; N502-I557 HydrophobicContact CB-CG1 4.47Å; N502-I557 WeakPolarHBondContact ND2-CD1 3.23Å
503V91.5Very high89.6Confident0 Ų057.4 Ų57.40%031%0.305CS..Hα-helixtrans-73.1-36.8175.5171.30000111.9L491 L494 E499 V500 P501 F506 L507 V519 M521 I535L491-V503 HydrophobicContact CD1-CG1 3.8Å; L491-V503 HydrophobicContact CD1-CG2 4.38Å; L494-V503 HydrophobicContact CD1-CG2 4.42Å; L494-V503 HydrophobicContact CD2-CG2 4.45Å; E499-V503 PolarHBondContact O-N 2.72Å; V500-V503 WeakPolarHBondContact O-CB 3.3Å; V500-V503 PolarHBondContact O-N 3.03Å; P501-V503 PolarHBondContact O-N 2.84Å; V503-F506 WeakPolarHBondContact O-CB 3.35Å; V503-F506 PolarHBondContact O-N 3.3Å; V503-L507 PolarHBondContact O-N 2.79Å; V503-V519 HydrophobicContact CG1-CG1 4.1Å; V503-M521 HydrophobicContact CG2-SD 4.08Å; V503-I535 HydrophobicContact CG1-CD1 3.37Å; V503-I535 HydrophobicContact CG1-CG1 4.22Å
504L91.6Very high89.6Confident60 Ų6057.1 Ų57.131%0.31430%0.296SS..Hα-helixtrans-70.6-43.1175-65.7173.1000111.7V500 P501 F506 L507 G508 V514 V519V500-L504 HydrophobicContact CG1-CD1 4.31Å; V500-L504 PolarHBondContact O-N 3.43Å; V500-L504 VanDerWaalsContact O-N 3.08Å; P501-L504 PolarHBondContact O-N 3.49Å; L504-F506 VanDerWaalsContact C-N 3.27Å; L504-F506 PolarHBondContact O-N 3.02Å; L504-L507 PolarHBondContact O-N 3Å; L504-L507 VanDerWaalsContact O-N 3.13Å; L504-G508 PolarHBondContact O-N 3.11Å; L504-G508 VanDerWaalsContact O-N 3.15Å; L504-V514 HydrophobicContact CD2-CG2 4.31Å; L504-V519 HydrophobicContact CD2-CG2 4.18Å
505D90.9Very high89.3Confident128 Ų12858.5 Ų58.568%0.68431%0.308SS*.Hα-helixtrans-59.2-39.8173.2-73.5-19.2000111.4P501 L507 G508P501-D505 PolarHBondContact O-N 2.95Å; D505-L507 VanDerWaalsContact C-N 3.34Å; D505-L507 PolarHBondContact O-N 3.26Å; D505-G508 PolarHBondContact O-N 2.79Å; D505-G508 VanDerWaalsContact O-N 3.15Å
506F92.3Very high88.8Confident13 Ų1368.2 Ų68.26%0.05735%0.346CS..Hα-helixtrans-61.1-39.3174.6179.3-104.3000113L491 N502 V503 L504 G508 R550 K553 L555 I564 V566L491-F506 HydrophobicContact CD1-CD1 4.32Å; L491-F506 HydrophobicContact CD2-CD1 4.49Å; L491-F506 HydrophobicContact CD2-CE1 4.06Å; N502-F506 WeakPolarHBondContact O-CB 3.16Å; N502-F506 PolarHBondContact O-N 2.92Å; N502-F506 VanDerWaalsContact O-N 3.07Å; V503-F506 WeakPolarHBondContact O-CB 3.35Å; V503-F506 PolarHBondContact O-N 3.3Å; L504-F506 VanDerWaalsContact C-N 3.27Å; L504-F506 PolarHBondContact O-N 3.02Å; F506-G508 VanDerWaalsContact C-N 3.3Å; F506-G508 PolarHBondContact O-N 3.17Å; F506-R550 HydrophobicContact CE1-CB 3.83Å; F506-R550 HydrophobicContact CE1-CG 4.48Å; F506-R550 HydrophobicContact CZ-CB 4.02Å; F506-R550 VanDerWaalsContact O-CD 3.3Å; F506-R550 WeakPolarHBondContact O-CD 3.33Å; F506-R550 PolarHBondContact O-NH1 3Å; F506-K553 HydrophobicContact CE2-CB 3.9Å; F506-K553 HydrophobicContact CZ-CB 4.14Å; F506-L555 HydrophobicContact CB-CD1 3.63Å; F506-L555 HydrophobicContact CD2-CB 4.13Å; F506-L555 HydrophobicContact CD2-CD1 3.92Å; F506-L555 HydrophobicContact CG-CD1 4.05Å; F506-I564 HydrophobicContact CD2-CG1 4.46Å; F506-I564 HydrophobicContact CE1-CB 4.2Å; F506-I564 HydrophobicContact CE1-CG2 4.07Å; F506-I564 HydrophobicContact CE2-CB 4.03Å; F506-I564 HydrophobicContact CE2-CG1 3.88Å; F506-I564 HydrophobicContact CZ-CB 3.61Å; F506-I564 HydrophobicContact CZ-CG1 3.96Å; F506-I564 HydrophobicContact CZ-CG2 3.99Å; F506-V566 HydrophobicContact CE1-CG2 4.03Å; F506-V566 HydrophobicContact CZ-CG2 4.32Å
507L91.5Very high88.2Confident0 Ų068.2 Ų68.20%035%0.351CS..Hα-helixtrans-70.2-24.7175.4-71.9-177000113.2I489 V503 L504 D505 D509 F510 V514 I535 R550I489-L507 HydrophobicContact CD1-CD2 3.91Å; V503-L507 PolarHBondContact O-N 2.79Å; L504-L507 PolarHBondContact O-N 3Å; L504-L507 VanDerWaalsContact O-N 3.13Å; D505-L507 VanDerWaalsContact C-N 3.34Å; D505-L507 PolarHBondContact O-N 3.26Å; L507-D509 PolarHBondContact O-N 3.05Å; L507-F510 HydrophobicContact CB-CB 4.17Å; L507-F510 HydrophobicContact CD2-CB 4.5Å; L507-F510 WeakPolarHBondContact O-CD2 3.47Å; L507-F510 PolarHBondContact O-N 2.82Å; L507-F510 VanDerWaalsContact O-N 3.15Å; L507-V514 HydrophobicContact CD1-CG2 3.62Å; L507-I535 HydrophobicContact CD1-CD1 3.76Å; L507-I535 HydrophobicContact CD1-CG2 4.18Å; L507-I535 HydrophobicContact CD2-CD1 4.42Å; L507-I535 HydrophobicContact CG-CD1 4.24Å; L507-R550 HydrophobicContact CD2-CG 4.48Å; L507-R550 PolarHBondContact O-NH1 2.73Å
508G89.6Confident87.9Confident27 Ų2764.2 Ų64.228%0.27833%0.333SS..G310 helixtrans57-122.5-178.200000111.1L504 D505 F506 F510 S511L504-G508 PolarHBondContact O-N 3.11Å; L504-G508 VanDerWaalsContact O-N 3.15Å; D505-G508 PolarHBondContact O-N 2.79Å; D505-G508 VanDerWaalsContact O-N 3.15Å; F506-G508 VanDerWaalsContact C-N 3.3Å; F506-G508 PolarHBondContact O-N 3.17Å; G508-F510 PolarHBondContact O-N 3.27Å; G508-S511 VanDerWaalsContact O-CB 3.26Å; G508-S511 WeakPolarHBondContact O-CB 2.98Å; G508-S511 PolarHBondContact O-N 3.41Å; G508-S511 VanDerWaalsContact O-N 3.08Å; G508-S511 PolarHBondContact O-OG 3.47Å
509D90.4Very high88Confident107 Ų10764.8 Ų64.857%0.57234%0.336SS*.G310 helixtrans-57.9-32178.2-74.3-71.7000114.3L507 S511 K512L507-D509 PolarHBondContact O-N 3.05Å; D509-S511 PolarHBondContact O-N 3.19Å; D509-K512 WeakPolarHBondContact O-CB 3.32Å; D509-K512 WeakPolarHBondContact O-CD 3.44Å; D509-K512 WeakPolarHBondContact O-CG 3.47Å; D509-K512 PolarHBondContact O-N 3.46Å; D509-K512 IonicContact OD1-NZ 2.62Å; D509-K512 PolarHBondContact OD1-NZ 3.48Å
510F91.1Very high88Confident40 Ų4061.9 Ų61.918%0.17532%0.322CS..G310 helixtrans-68.4-14.4178.5-60.4-73000113.4L507 G508 K512 N513 A545 A546 D549 R550L507-F510 HydrophobicContact CB-CB 4.17Å; L507-F510 HydrophobicContact CD2-CB 4.5Å; L507-F510 WeakPolarHBondContact O-CD2 3.47Å; L507-F510 PolarHBondContact O-N 2.82Å; L507-F510 VanDerWaalsContact O-N 3.15Å; G508-F510 PolarHBondContact O-N 3.27Å; F510-K512 PolarHBondContact O-N 3.22Å; F510-N513 PolarHBondContact O-N 2.7Å; F510-N513 VanDerWaalsContact O-N 3.09Å; F510-A545 HydrophobicContact CE1-CB 3.81Å; F510-A545 HydrophobicContact CZ-CB 4.25Å; F510-A546 HydrophobicContact CB-CB 4.03Å; F510-A546 HydrophobicContact CD1-CB 3.84Å; F510-A546 HydrophobicContact CD2-CB 4.14Å; F510-A546 HydrophobicContact CE1-CB 4.32Å; F510-A546 HydrophobicContact CG-CB 3.74Å; F510-D549 HydrophobicContact CE2-CB 3.81Å; F510-D549 HydrophobicContact CZ-CB 4.13Å; F510-R550 HydrophobicContact CD2-CG 4.36Å
511S89.3Confident88Confident42 Ų4260.7 Ų60.729%0.29431%0.313SS..G310 helixtrans-58.2-27.3172.864.30000112.8G508 D509 N513 V514G508-S511 VanDerWaalsContact O-CB 3.26Å; G508-S511 WeakPolarHBondContact O-CB 2.98Å; G508-S511 PolarHBondContact O-N 3.41Å; G508-S511 VanDerWaalsContact O-N 3.08Å; G508-S511 PolarHBondContact O-OG 3.47Å; D509-S511 PolarHBondContact O-N 3.19Å; S511-N513 PolarHBondContact O-N 3.35Å; S511-V514 WeakPolarHBondContact O-CB 3.5Å; S511-V514 PolarHBondContact O-N 3Å
512K88.3Confident87.8Confident154 Ų15457.9 Ų57.967%0.6730%0.295SS*.G310 helixtrans-68.2-23.5178.5-61164.8-174167.60113.1D509 F510D509-K512 WeakPolarHBondContact O-CB 3.32Å; D509-K512 WeakPolarHBondContact O-CD 3.44Å; D509-K512 WeakPolarHBondContact O-CG 3.47Å; D509-K512 PolarHBondContact O-N 3.46Å; D509-K512 IonicContact OD1-NZ 2.62Å; D509-K512 PolarHBondContact OD1-NZ 3.48Å; F510-K512 PolarHBondContact O-N 3.22Å
513N89.4Confident87.4Confident48 Ų4861.8 Ų61.826%0.25731%0.31SS..G310 helixtrans-94.2-2.5-179.8-66.890.2000112.5F510 S511 L537 D538F510-N513 PolarHBondContact O-N 2.7Å; F510-N513 VanDerWaalsContact O-N 3.09Å; S511-N513 PolarHBondContact O-N 3.35Å; N513-L537 HydrophobicContact CB-CD2 3.85Å; N513-L537 CarbonylContact O-C 3.59Å; N513-L537 VanDerWaalsContact O-CA 3.26Å; N513-L537 WeakPolarHBondContact O-CA 3.49Å; N513-D538 WeakPolarHBondContact CB-OD1 3.28Å; N513-D538 VanDerWaalsContact ND2-CG 3.34Å; N513-D538 PolarHBondContact ND2-OD1 3.49Å; N513-D538 PolarHBondContact ND2-OD2 3.25Å; N513-D538 PolarHBondContact O-N 2.99Å
514V87.5Confident86.8Confident28 Ų2864.7 Ų64.717%0.1733%0.325CS..EExtended strand (participates in β ladder)trans-73.3131.8-177.6177.60000110.2L504 L507 S511 V519 I535 L537L504-V514 HydrophobicContact CD2-CG2 4.31Å; L507-V514 HydrophobicContact CD1-CG2 3.62Å; S511-V514 WeakPolarHBondContact O-CB 3.5Å; S511-V514 PolarHBondContact O-N 3Å; V514-V519 HydrophobicContact CG1-CG2 3.86Å; V514-I535 HydrophobicContact CB-CG2 4.44Å; V514-I535 HydrophobicContact CG1-CG2 3.81Å; V514-I535 HydrophobicContact CG2-CG2 3.79Å; V514-L537 HydrophobicContact CB-CD2 4.45Å; V514-L537 HydrophobicContact CG2-CD2 3.69Å
515A83.7Confident86.1Confident32 Ų3267.3 Ų67.326%0.26436%0.356SS..EExtended strand (participates in β ladder)trans-62.6151.6177.700000111.4Q517 G518 Q536A515-Q517 PolarHBondContact O-N 3.38Å; A515-Q517 VanDerWaalsContact O-N 3.16Å; A515-G518 PolarHBondContact O-N 3.47Å; A515-Q536 HydrophobicContact CB-CB 4.22Å; A515-Q536 HydrophobicContact CB-CG 4.07Å; A515-Q536 PolarHBondContact N-O 2.96Å
516Y77.4Confident85.4Confident208 Ų20868.4 Ų68.482%0.81636%0.357SS*.EExtended strand (participates in β ladder)trans-60.2122.1178.3-176.8-98.2000110.7G518Y516-G518 PolarHBondContact O-N 2.91Å
517Q74.9Confident84.7Confident146 Ų14670.1 Ų70.168%0.68238%0.379SS*.EExtended strand (participates in β ladder)trans62.310.9-170.6-60.7177.93.600116A515 V519A515-Q517 PolarHBondContact O-N 3.38Å; A515-Q517 VanDerWaalsContact O-N 3.16Å; Q517-V519 PolarHBondContact O-N 2.84Å
518G82Confident84.1Confident3 Ų375.6 Ų75.63%0.03140%0.404CS..EExtended strand (participates in β ladder)trans-71.99.8-174.600000116.9A515 Y516 I535 Q536A515-G518 PolarHBondContact O-N 3.47Å; Y516-G518 PolarHBondContact O-N 2.91Å; G518-I535 CarbonylContact O-C 3.58Å; G518-I535 VanDerWaalsContact O-CA 3.25Å; G518-I535 WeakPolarHBondContact O-CA 3.27Å; G518-Q536 PolarHBondContact O-N 3.39Å
519V88.7Confident83.7Confident23 Ų2375.9 Ų75.914%0.13940%0.401CS..EExtended strand (participates in β ladder)trans-101.9112.6176.4-177.30000109.8V500 V503 L504 V514 Q517 M521 I535V500-V519 HydrophobicContact CG1-CB 4.11Å; V500-V519 HydrophobicContact CG1-CG1 4.06Å; V500-V519 HydrophobicContact CG1-CG2 4.41Å; V500-V519 HydrophobicContact CG2-CG1 4.15Å; V503-V519 HydrophobicContact CG1-CG1 4.1Å; L504-V519 HydrophobicContact CD2-CG2 4.18Å; V514-V519 HydrophobicContact CG1-CG2 3.86Å; Q517-V519 PolarHBondContact O-N 2.84Å; V519-M521 HydrophobicContact CG1-SD 4.46Å; V519-I535 HydrophobicContact CG1-CG1 4.43Å; V519-I535 HydrophobicContact CG2-CG1 4.45Å; V519-I535 HydrophobicContact CG2-CG2 4.09Å
520H87.2Confident83.4Confident71 Ų7173.4 Ų73.433%0.32939%0.392SS..EExtended strand (participates in β ladder)trans-114.5103.5-177.3-56-77.7000110.5A533 F534 M574 L578H520-A533 CarbonylContact O-C 3.53Å; H520-A533 WeakPolarHBondContact O-CA 3.46Å; H520-F534 HydrophobicContact CB-CB 4.41Å; H520-F534 PolarHBondContact N-O 2.72Å; H520-F534 PolarHBondContact O-N 2.89Å; H520-M574 VanDerWaalsContact CD2-SD 3.5Å; H520-L578 HydrophobicContact CB-CD1 4.11Å
521M88.5Confident83.3Confident32 Ų3272 Ų7216%0.15839%0.388CS..EExtended strand (participates in β ladder)trans-73.6131.7173.9-59.6-60.2-63.300110.1L494 A498 V500 V503 V519 F523 A533L494-M521 HydrophobicContact CD1-CE 4.19Å; A498-M521 VanDerWaalsContact O-CE 3.27Å; A498-M521 WeakPolarHBondContact O-CE 3.35Å; V500-M521 HydrophobicContact CG2-CG 3.94Å; V500-M521 HydrophobicContact CG2-SD 4.45Å; V503-M521 HydrophobicContact CG2-SD 4.08Å; V519-M521 HydrophobicContact CG1-SD 4.46Å; M521-F523 HydrophobicContact CB-CE2 3.74Å; M521-F523 HydrophobicContact CB-CZ 4.05Å; M521-F523 WeakPolarHBondContact O-CD2 3.31Å; M521-F523 WeakPolarHBondContact O-CE2 3.21Å; M521-A533 HydrophobicContact CE-CB 4.3Å; M521-A533 HydrophobicContact SD-CB 3.7Å
522V87Confident83.3Confident13 Ų1371.1 Ų71.18%0.07938%0.38CS..EExtended strand (participates in β ladder)trans-88.3128.4179.3-173.40000109.7S530 E532 F534 L578V522-S530 WeakPolarHBondContact O-CB 3.49Å; V522-S530 PolarHBondContact O-N 3.24Å; V522-E532 HydrophobicContact CB-CB 4.08Å; V522-E532 WeakPolarHBondContact CB-O 3.08Å; V522-E532 HydrophobicContact CG2-CB 3.92Å; V522-E532 PolarHBondContact N-O 3.45Å; V522-F534 HydrophobicContact CG2-CD2 3.67Å; V522-F534 HydrophobicContact CG2-CE2 3.65Å; V522-L578 HydrophobicContact CG2-CD2 4.16Å
523F83.3Confident83.5Confident122 Ų12263.8 Ų63.854%0.53535%0.348SS..EExtended strand (participates in β ladder)trans-114.2148.2173.8-61.4-91.3000110.3M521 H528 P529M521-F523 HydrophobicContact CB-CE2 3.74Å; M521-F523 HydrophobicContact CB-CZ 4.05Å; M521-F523 WeakPolarHBondContact O-CD2 3.31Å; M521-F523 WeakPolarHBondContact O-CE2 3.21Å; F523-H528 CarbonylContact C-O 3.5Å; F523-H528 WeakPolarHBondContact CA-O 3.38Å; F523-P529 HydrophobicContact CD1-CB 4.17Å; F523-P529 HydrophobicContact CE1-CB 4.08Å
524N79.3Confident83.6Confident61 Ų6161.6 Ų61.633%0.32634%0.336SS..  trans-79172.4173.281-3.3000111.2Q526 G527 H528N524-Q526 PolarHBondContact ND2-OE1 3.44Å; N524-Q526 PolarHBondContact O-N 3.09Å; N524-Q526 WeakPolarHBondContact OD1-CA 3.08Å; N524-Q526 WeakPolarHBondContact OD1-CB 3.4Å; N524-Q526 PolarHBondContact OD1-N 3.32Å; N524-G527 PolarHBondContact O-N 2.91Å; N524-G527 PolarHBondContact OD1-N 3.39Å; N524-H528 PolarHBondContact N-O 3.43Å; N524-H528 PolarHBondContact OD1-N 2.88Å; N524-H528 PolarHBondContact OD1-O 3.1Å
525A76.2Confident83.8Confident116 Ų11660.2 Ų60.296%0.95933%0.328SS*.THydrogen-bonded Turntrans-64.4-3.3179.600000115.2
526Q75.4Confident84.1Confident150 Ų15059.8 Ų59.870%0.70132%0.32SS*.THydrogen-bonded Turntrans-102.2-1.4174.6-57.6159.5-31.500112N524N524-Q526 PolarHBondContact ND2-OE1 3.44Å; N524-Q526 PolarHBondContact O-N 3.09Å; N524-Q526 WeakPolarHBondContact OD1-CA 3.08Å; N524-Q526 WeakPolarHBondContact OD1-CB 3.4Å; N524-Q526 PolarHBondContact OD1-N 3.32Å
527G77.3Confident84.8Confident50 Ų5050 Ų5052%0.51528%0.282SS..SBendtrans83.36.2-176.100000114.9N524N524-G527 PolarHBondContact O-N 2.91Å; N524-G527 PolarHBondContact OD1-N 3.39Å
528H79.6Confident85.5Confident114 Ų11447.8 Ų47.853%0.52828%0.275SS..  trans-85.9141175.8-62.6-50.2000111.1F523 N524 S530F523-H528 CarbonylContact C-O 3.5Å; F523-H528 WeakPolarHBondContact CA-O 3.38Å; N524-H528 PolarHBondContact N-O 3.43Å; N524-H528 PolarHBondContact OD1-N 2.88Å; N524-H528 PolarHBondContact OD1-O 3.1Å; H528-S530 PolarHBondContact O-N 2.73Å
529P82.4Confident85.8Confident33 Ų3349.6 Ų49.621%0.21429%0.287CS..EExtended strand (participates in β ladder)trans-63.3132.5178.424.7-32.2000110.9Y496 F523 G531Y496-P529 VanDerWaalsContact CD1-O 3.3Å; Y496-P529 WeakPolarHBondContact CD1-O 3.47Å; Y496-P529 WeakPolarHBondContact O-CG 3.47Å; F523-P529 HydrophobicContact CD1-CB 4.17Å; F523-P529 HydrophobicContact CE1-CB 4.08Å; P529-G531 VanDerWaalsContact C-N 3.25Å; P529-G531 PolarHBondContact O-N 3.23Å
530S83.3Confident85.9Confident56 Ų5653.3 Ų53.339%0.39230%0.303SS..EExtended strand (participates in β ladder)trans-75.5-7.3-172.6-167.30000114.2V522 H528 E532V522-S530 WeakPolarHBondContact O-CB 3.49Å; V522-S530 PolarHBondContact O-N 3.24Å; H528-S530 PolarHBondContact O-N 2.73Å; S530-E532 VanDerWaalsContact C-N 3.26Å
531G87.8Confident86.1Confident9 Ų953.4 Ų53.49%0.09332%0.316CS..EExtended strand (participates in β ladder)trans75.514.1-166.300000113.8G493 L494 P529G493-G531 PolarHBondContact N-O 3Å; L494-G531 PolarHBondContact N-O 2.96Å; L494-G531 WeakPolarHBondContact O-CA 3.23Å; P529-G531 VanDerWaalsContact C-N 3.25Å; P529-G531 PolarHBondContact O-N 3.23Å
532E90.6Very high86.3Confident25 Ų2552.4 Ų52.412%0.11731%0.312CS..EExtended strand (participates in β ladder)trans-124150.2174.6-55.4-165.4146.500111R490 L491 R492 V522 S530R490-E532 IonicContact CZ-OE1 2.7Å; R490-E532 IonicContact CZ-OE2 3.33Å; R490-E532 IonicContact NE-OE1 2.69Å; R490-E532 PolarHBondContact NE-OE1 2.96Å; R490-E532 IonicContact NE-OE2 3.97Å; R490-E532 PolarHBondContact NE-OE2 3.44Å; R490-E532 VanDerWaalsContact NH2-CD 3.29Å; R490-E532 IonicContact NH2-OE1 2.6Å; R490-E532 PolarHBondContact NH2-OE1 2.9Å; R490-E532 VanDerWaalsContact NH2-OE1 3.07Å; R490-E532 IonicContact NH2-OE2 2.69Å; R490-E532 PolarHBondContact NH2-OE2 3.1Å; L491-E532 VanDerWaalsContact O-CA 3.3Å; L491-E532 WeakPolarHBondContact O-CA 3.34Å; R492-E532 HydrophobicContact CG-CG 4.09Å; R492-E532 IonicContact CZ-OE1 3.61Å; R492-E532 VanDerWaalsContact CZ-OE1 3.24Å; R492-E532 IonicContact NE-OE1 3.07Å; R492-E532 PolarHBondContact NE-OE1 2.8Å; R492-E532 IonicContact NH2-OE1 3.5Å; R492-E532 PolarHBondContact NH2-OE1 3.24Å; V522-E532 HydrophobicContact CB-CB 4.08Å; V522-E532 WeakPolarHBondContact CB-O 3.08Å; V522-E532 HydrophobicContact CG2-CB 3.92Å; V522-E532 PolarHBondContact N-O 3.45Å; S530-E532 VanDerWaalsContact C-N 3.26Å
533A91.9Very high86.6Confident0 Ų051.8 Ų51.80%031%0.308CS..EExtended strand (participates in β ladder)trans-145.2153.6169.300000110.3R490 L491 L494 H520 M521R490-A533 CarbonylContact C-O 3.58Å; R490-A533 WeakPolarHBondContact CA-O 3.14Å; L491-A533 HydrophobicContact CB-CB 4.45Å; L491-A533 PolarHBondContact N-O 2.89Å; L491-A533 PolarHBondContact O-N 3.03Å; L494-A533 HydrophobicContact CD1-CB 3.59Å; H520-A533 CarbonylContact O-C 3.53Å; H520-A533 WeakPolarHBondContact O-CA 3.46Å; M521-A533 HydrophobicContact CE-CB 4.3Å; M521-A533 HydrophobicContact SD-CB 3.7Å
534F92.1Very high87Confident1 Ų147.9 Ų47.90%0.00430%0.299CS..EExtended strand (participates in β ladder)trans-113.7145170.9-67.8-90.9000110.2I489 R490 H520 V522 M574 V577 L578I489-F534 CarbonylContact O-C 3.44Å; I489-F534 WeakPolarHBondContact O-CA 3.39Å; R490-F534 HydrophobicContact CB-CD1 3.88Å; R490-F534 HydrophobicContact CB-CE1 3.74Å; R490-F534 HydrophobicContact CB-CZ 4.5Å; R490-F534 HydrophobicContact CG-CD1 3.99Å; R490-F534 HydrophobicContact CG-CE1 3.58Å; R490-F534 HydrophobicContact CG-CE2 4.46Å; R490-F534 HydrophobicContact CG-CZ 3.84Å; H520-F534 HydrophobicContact CB-CB 4.41Å; H520-F534 PolarHBondContact N-O 2.72Å; H520-F534 PolarHBondContact O-N 2.89Å; V522-F534 HydrophobicContact CG2-CD2 3.67Å; V522-F534 HydrophobicContact CG2-CE2 3.65Å; F534-M574 HydrophobicContact CB-CB 4.46Å; F534-M574 HydrophobicContact CB-CE 3.96Å; F534-M574 HydrophobicContact CB-CG 3.62Å; F534-M574 HydrophobicContact CB-SD 3.74Å; F534-M574 HydrophobicContact CD1-CB 3.83Å; F534-M574 HydrophobicContact CD1-CG 3.82Å; F534-M574 HydrophobicContact CD2-CG 4.07Å; F534-M574 HydrophobicContact CE1-CB 4.21Å; F534-M574 HydrophobicContact CE1-CG 4.47Å; F534-M574 HydrophobicContact CG-CB 4.14Å; F534-M574 HydrophobicContact CG-CG 3.58Å; F534-M574 HydrophobicContact CG-SD 4.38Å; F534-V577 HydrophobicContact CE2-CB 3.83Å; F534-V577 HydrophobicContact CE2-CG1 3.68Å; F534-V577 HydrophobicContact CZ-CB 3.63Å; F534-V577 HydrophobicContact CZ-CG1 3.8Å; F534-V577 HydrophobicContact CZ-CG2 3.91Å; F534-L578 HydrophobicContact CD2-CD2 4.41Å
535I92.3Very high87.7Confident0 Ų047 Ų470%030%0.3CS..EExtended strand (participates in β ladder)trans-136.4120.2-179-48.3176.1000108.9C488 I489 L491 V503 L507 V514 G518 V519C488-I535 CarbonylContact C-O 3.56Å; C488-I535 WeakPolarHBondContact CA-O 3.3Å; I489-I535 HydrophobicContact CD1-CB 4.34Å; I489-I535 HydrophobicContact CD1-CD1 4.29Å; I489-I535 HydrophobicContact CG1-CB 3.79Å; I489-I535 HydrophobicContact CG1-CD1 4.47Å; I489-I535 HydrophobicContact CG1-CG1 4.41Å; I489-I535 PolarHBondContact N-O 2.9Å; I489-I535 PolarHBondContact O-N 2.89Å; L491-I535 HydrophobicContact CD1-CD1 3.85Å; L491-I535 HydrophobicContact CG-CD1 4.12Å; V503-I535 HydrophobicContact CG1-CD1 3.37Å; V503-I535 HydrophobicContact CG1-CG1 4.22Å; L507-I535 HydrophobicContact CD1-CD1 3.76Å; L507-I535 HydrophobicContact CD1-CG2 4.18Å; L507-I535 HydrophobicContact CD2-CD1 4.42Å; L507-I535 HydrophobicContact CG-CD1 4.24Å; V514-I535 HydrophobicContact CB-CG2 4.44Å; V514-I535 HydrophobicContact CG1-CG2 3.81Å; V514-I535 HydrophobicContact CG2-CG2 3.79Å; G518-I535 CarbonylContact O-C 3.58Å; G518-I535 VanDerWaalsContact O-CA 3.25Å; G518-I535 WeakPolarHBondContact O-CA 3.27Å; V519-I535 HydrophobicContact CG1-CG1 4.43Å; V519-I535 HydrophobicContact CG2-CG1 4.45Å; V519-I535 HydrophobicContact CG2-CG2 4.09Å
536Q89.2Confident88.6Confident22 Ų2241.5 Ų41.510%0.10326%0.255CS..EExtended strand (participates in β ladder)trans-87.2132.8170-173.7167.438.600110.5I481 A515 G518 M574I481-Q536 VanDerWaalsContact CD1-OE1 3.31Å; A515-Q536 HydrophobicContact CB-CB 4.22Å; A515-Q536 HydrophobicContact CB-CG 4.07Å; A515-Q536 PolarHBondContact N-O 2.96Å; G518-Q536 PolarHBondContact O-N 3.39Å; Q536-M574 HydrophobicContact CB-CE 4.48Å
537L91.1Very high89.4Confident4 Ų434.9 Ų34.92%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-113.5168.1177.9-67.1154.6000110D487 I489 N513 V514 S539 A543 A546D487-L537 WeakPolarHBondContact O-CB 3.49Å; D487-L537 PolarHBondContact O-N 2.9Å; I489-L537 HydrophobicContact CD1-CD1 4Å; I489-L537 HydrophobicContact CG1-CD1 4.12Å; I489-L537 HydrophobicContact CG2-CD1 4.14Å; N513-L537 HydrophobicContact CB-CD2 3.85Å; N513-L537 CarbonylContact O-C 3.59Å; N513-L537 VanDerWaalsContact O-CA 3.26Å; N513-L537 WeakPolarHBondContact O-CA 3.49Å; V514-L537 HydrophobicContact CB-CD2 4.45Å; V514-L537 HydrophobicContact CG2-CD2 3.69Å; L537-S539 VanDerWaalsContact C-N 3.26Å; L537-S539 PolarHBondContact O-N 2.94Å; L537-A543 VanDerWaalsContact CD1-CA 3.49Å; L537-A543 HydrophobicContact CD1-CB 3.96Å; L537-A546 HydrophobicContact CD1-CB 4.03Å
538D89.9Confident90.1Very high98 Ų9836.5 Ų36.552%0.52423%0.234SC..SBendtrans-69.5-16.3-177.863.5-3.3000114.8N513 S542N513-D538 WeakPolarHBondContact CB-OD1 3.28Å; N513-D538 VanDerWaalsContact ND2-CG 3.34Å; N513-D538 PolarHBondContact ND2-OD1 3.49Å; N513-D538 PolarHBondContact ND2-OD2 3.25Å; N513-D538 PolarHBondContact O-N 2.99Å; D538-S542 WeakPolarHBondContact OD1-CB 3.45Å; D538-S542 PolarHBondContact OD1-OG 2.8Å
539S89.7Confident90.8Very high42 Ų4234 Ų3429%0.29422%0.224SC..  trans-159159.1-179.372.50000113.7L537 A541 S542 A543L537-S539 VanDerWaalsContact C-N 3.26Å; L537-S539 PolarHBondContact O-N 2.94Å; S539-A541 PolarHBondContact O-N 3.48Å; S539-A541 PolarHBondContact OG-N 3.37Å; S539-S542 PolarHBondContact N-OG 3.3Å; S539-S542 PolarHBondContact O-N 2.72Å; S539-S542 PolarHBondContact O-OG 3.01Å; S539-S542 PolarHBondContact OG-N 2.74Å; S539-S542 PolarHBondContact OG-OG 3.49Å; S539-A543 WeakPolarHBondContact O-CB 3.33Å; S539-A543 PolarHBondContact O-N 3.31Å
540E90.9Very high91.3Very high100 Ų10034.9 Ų34.947%0.46722%0.223SC..Hα-helixtrans-62.6-28.6171-178.3165.5-174.400112.7R486 A544 Q568R486-E540 HydrophobicContact CB-CG 3.98Å; E540-A544 WeakPolarHBondContact O-CB 3.36Å; E540-A544 PolarHBondContact O-N 3.13Å; E540-Q568 PolarHBondContact O-NE2 3.08Å
541A91.3Very high91.7Very high73 Ų7335.7 Ų35.760%0.60322%0.221SC*.Hα-helixtrans-73.8-41.9177.700000112.5S539 A545S539-A541 PolarHBondContact O-N 3.48Å; S539-A541 PolarHBondContact OG-N 3.37Å; A541-A545 WeakPolarHBondContact O-CB 3.39Å; A541-A545 PolarHBondContact O-N 3Å
542S92.1Very high91.8Very high11 Ų1139 Ų398%0.07724%0.237CC..Hα-helixtrans-68.8-35.6174.154.60000111.3D538 S539 A545 A546D538-S542 WeakPolarHBondContact OD1-CB 3.45Å; D538-S542 PolarHBondContact OD1-OG 2.8Å; S539-S542 PolarHBondContact N-OG 3.3Å; S539-S542 PolarHBondContact O-N 2.72Å; S539-S542 PolarHBondContact O-OG 3.01Å; S539-S542 PolarHBondContact OG-N 2.74Å; S539-S542 PolarHBondContact OG-OG 3.49Å; S542-A545 PolarHBondContact O-N 3.18Å; S542-A546 WeakPolarHBondContact O-CB 3.46Å; S542-A546 PolarHBondContact O-N 2.8Å
543A92.8Very high91.9Very high0 Ų042.7 Ų42.70%025%0.252CS..Hα-helixtrans-63-46.7171.700000113.3R486 I489 L537 S539 A547 Q568R486-A543 VanDerWaalsContact O-CB 3.29Å; R486-A543 WeakPolarHBondContact O-CB 3.37Å; I489-A543 HydrophobicContact CG2-CB 4.03Å; I489-A543 WeakPolarHBondContact CG2-O 3.49Å; L537-A543 VanDerWaalsContact CD1-CA 3.49Å; L537-A543 HydrophobicContact CD1-CB 3.96Å; S539-A543 WeakPolarHBondContact O-CB 3.33Å; S539-A543 PolarHBondContact O-N 3.31Å; A543-A547 VanDerWaalsContact O-CB 3.3Å; A543-A547 WeakPolarHBondContact O-CB 3.48Å; A543-A547 PolarHBondContact O-N 2.64Å; A543-Q568 HydrophobicContact CB-CG 4.22Å
544A92.2Very high91.8Very high40 Ų4049.5 Ų49.533%0.33128%0.279SS..Hα-helixtrans-62.1-42.9175.200000112.3E540 A548E540-A544 WeakPolarHBondContact O-CB 3.36Å; E540-A544 PolarHBondContact O-N 3.13Å; A544-A548 WeakPolarHBondContact O-CB 3.43Å; A544-A548 PolarHBondContact O-N 3.5Å
545A93.7Very high91.7Very high44 Ų4449.9 Ų49.936%0.36428%0.281SS..Hα-helixtrans-67.5-44.7178.900000112.7F510 A541 S542 A547 A548 D549F510-A545 HydrophobicContact CE1-CB 3.81Å; F510-A545 HydrophobicContact CZ-CB 4.25Å; A541-A545 WeakPolarHBondContact O-CB 3.39Å; A541-A545 PolarHBondContact O-N 3Å; S542-A545 PolarHBondContact O-N 3.18Å; A545-A547 VanDerWaalsContact C-N 3.35Å; A545-A548 PolarHBondContact O-N 3.1Å; A545-D549 PolarHBondContact O-N 2.86Å
546A94.2Very high91.3Very high0 Ų056.6 Ų56.60%031%0.312CS..Hα-helixtrans-63.3-40.9176.500000111.4I489 F510 L537 S542 R550I489-A546 HydrophobicContact CD1-CB 4.17Å; F510-A546 HydrophobicContact CB-CB 4.03Å; F510-A546 HydrophobicContact CD1-CB 3.84Å; F510-A546 HydrophobicContact CD2-CB 4.14Å; F510-A546 HydrophobicContact CE1-CB 4.32Å; F510-A546 HydrophobicContact CG-CB 3.74Å; L537-A546 HydrophobicContact CD1-CB 4.03Å; S542-A546 WeakPolarHBondContact O-CB 3.46Å; S542-A546 PolarHBondContact O-N 2.8Å; A546-R550 VanDerWaalsContact O-CB 3.23Å; A546-R550 WeakPolarHBondContact O-CB 3.34Å; A546-R550 WeakPolarHBondContact O-CG 3.44Å; A546-R550 PolarHBondContact O-N 2.92Å
547A93.6Very high91Very high11 Ų1157.4 Ų57.49%0.09132%0.317CS..Hα-helixtrans-62-47.917400000111.8I489 A543 A545 H551 V566 Q568I489-A547 HydrophobicContact CG2-CB 4.2Å; A543-A547 VanDerWaalsContact O-CB 3.3Å; A543-A547 WeakPolarHBondContact O-CB 3.48Å; A543-A547 PolarHBondContact O-N 2.64Å; A545-A547 VanDerWaalsContact C-N 3.35Å; A547-H551 WeakPolarHBondContact O-CB 3.19Å; A547-H551 PolarHBondContact O-N 3.05Å; A547-H551 VanDerWaalsContact O-N 3.12Å; A547-V566 HydrophobicContact CB-CG1 4.11Å; A547-Q568 HydrophobicContact CB-CB 4.34Å
548A92.3Very high90.5Very high84 Ų8460.1 Ų60.169%0.69435%0.346SS*.Hα-helixtrans-65.8-41.2-178.700000113.7A544 A545A544-A548 WeakPolarHBondContact O-CB 3.43Å; A544-A548 PolarHBondContact O-N 3.5Å; A545-A548 PolarHBondContact O-N 3.1Å
549D93.5Very high89.9Confident60 Ų6065.7 Ų65.732%0.32137%0.366SS..Hα-helixtrans-75.8-38.2178.5-18054.9000112.4F510 A545 K553F510-D549 HydrophobicContact CE2-CB 3.81Å; F510-D549 HydrophobicContact CZ-CB 4.13Å; A545-D549 PolarHBondContact O-N 2.86Å; D549-K553 WeakPolarHBondContact O-CE 3.45Å; D549-K553 WeakPolarHBondContact O-CG 3.32Å; D549-K553 IonicContact OD1-NZ 3.69Å
550R92.4Very high89.3Confident52 Ų5269.3 Ų69.320%0.19638%0.376CS..Hα-helixtrans-93-13.9-169.7-59.7-71147.6144.4-4.2115F506 L507 F510 A546 N552 K553 V566F506-R550 HydrophobicContact CE1-CB 3.83Å; F506-R550 HydrophobicContact CE1-CG 4.48Å; F506-R550 HydrophobicContact CZ-CB 4.02Å; F506-R550 VanDerWaalsContact O-CD 3.3Å; F506-R550 WeakPolarHBondContact O-CD 3.33Å; F506-R550 PolarHBondContact O-NH1 3Å; L507-R550 HydrophobicContact CD2-CG 4.48Å; L507-R550 PolarHBondContact O-NH1 2.73Å; F510-R550 HydrophobicContact CD2-CG 4.36Å; A546-R550 VanDerWaalsContact O-CB 3.23Å; A546-R550 WeakPolarHBondContact O-CB 3.34Å; A546-R550 WeakPolarHBondContact O-CG 3.44Å; A546-R550 PolarHBondContact O-N 2.92Å; R550-N552 PolarHBondContact O-N 3.4Å; R550-K553 WeakPolarHBondContact O-CB 3.38Å; R550-K553 WeakPolarHBondContact O-CG 3.49Å; R550-K553 PolarHBondContact O-N 3.09Å; R550-K553 VanDerWaalsContact O-N 3.12Å; R550-V566 HydrophobicContact CB-CG2 3.93Å
551H92.1Very high89Confident73 Ų7370.7 Ų70.734%0.33838%0.383SS..THydrogen-bonded Turntrans-57.7128.8175.7-171.795.1000111.9A547 K553 V566A547-H551 WeakPolarHBondContact O-CB 3.19Å; A547-H551 PolarHBondContact O-N 3.05Å; A547-H551 VanDerWaalsContact O-N 3.12Å; H551-K553 PolarHBondContact O-N 3.38Å; H551-V566 HydrophobicContact CB-CB 4.27Å; H551-V566 PolarHBondContact ND1-N 3.26Å; H551-V566 PolarHBondContact ND1-O 3.04Å
552N90.9Very high88.9Confident79 Ų7972 Ų7242%0.42237%0.372SS..THydrogen-bonded Turntrans59.917-175.7-61-29.7000116R550 I564R550-N552 PolarHBondContact O-N 3.4Å; N552-I564 WeakPolarHBondContact CA-O 3.24Å; N552-I564 PolarHBondContact N-O 3.49Å
553K91.7Very high88.8Confident102 Ų10277.4 Ų77.444%0.44339%0.391SS..EExtended strand (participates in β ladder)trans-74.6155.2164.7-58.4-65.8-177.6169.90110.2F506 D549 R550 H551 Y563 I564F506-K553 HydrophobicContact CE2-CB 3.9Å; F506-K553 HydrophobicContact CZ-CB 4.14Å; D549-K553 WeakPolarHBondContact O-CE 3.45Å; D549-K553 WeakPolarHBondContact O-CG 3.32Å; D549-K553 IonicContact OD1-NZ 3.69Å; R550-K553 WeakPolarHBondContact O-CB 3.38Å; R550-K553 WeakPolarHBondContact O-CG 3.49Å; R550-K553 PolarHBondContact O-N 3.09Å; R550-K553 VanDerWaalsContact O-N 3.12Å; H551-K553 PolarHBondContact O-N 3.38Å; K553-Y563 CarbonylContact O-C 3.51Å; K553-Y563 WeakPolarHBondContact O-CA 3.33Å; K553-I564 PolarHBondContact O-N 2.79Å
554Y90.8Very high88.8Confident144 Ų14477.4 Ų77.457%0.56539%0.391SS*.EExtended strand (participates in β ladder)trans-88.9129.4179.7-76.9-100.4000111.9Q561 R562Y554-Q561 HydrophobicContact CD1-CB 4.17Å; Y554-Q561 HydrophobicContact CD1-CG 4.22Å; Y554-Q561 HydrophobicContact CE1-CG 4.48Å; Y554-R562 CarbonylContact C-O 3.6Å; Y554-R562 VanDerWaalsContact CA-O 3.29Å; Y554-R562 WeakPolarHBondContact CA-O 3.36Å
555L88.5Confident88.9Confident9 Ų978.7 Ų78.75%0.04739%0.391CS..EExtended strand (participates in β ladder)trans-88.3126.9159.9-174.280.4000108.5L494 P495 A498 N502 F506 I557 Q561 R562 I564L494-L555 HydrophobicContact CD2-CD2 3.98Å; P495-L555 HydrophobicContact CG-CD2 4.03Å; A498-L555 HydrophobicContact CB-CD2 4.32Å; N502-L555 WeakPolarHBondContact O-CD1 3.28Å; F506-L555 HydrophobicContact CB-CD1 3.63Å; F506-L555 HydrophobicContact CD2-CB 4.13Å; F506-L555 HydrophobicContact CD2-CD1 3.92Å; F506-L555 HydrophobicContact CG-CD1 4.05Å; L555-I557 HydrophobicContact CD2-CD1 3.72Å; L555-I557 HydrophobicContact CD2-CG1 4.04Å; L555-I557 HydrophobicContact CG-CD1 4.44Å; L555-I557 HydrophobicContact CG-CG1 4.22Å; L555-Q561 WeakPolarHBondContact O-CA 3.43Å; L555-R562 PolarHBondContact N-O 3.22Å; L555-R562 PolarHBondContact O-N 2.85Å; L555-I564 HydrophobicContact CB-CD1 3.92Å; L555-I564 HydrophobicContact CB-CG1 3.69Å
556Q84.4Confident88.9Confident140 Ų14076.8 Ų76.865%0.65437%0.374SS*.EExtended strand (participates in β ladder)trans-112.6120.8172.7-176.2177.9-13.600110.4G558 K560Q556-G558 PolarHBondContact NE2-O 3.45Å; Q556-K560 CarbonylContact C-O 3.59Å; Q556-K560 WeakPolarHBondContact CA-O 3.19Å
557I82.5Confident88.8Confident39 Ų3980.6 Ų80.620%0.239%0.391CS..EExtended strand (participates in β ladder)trans-116.8102.4172.9-61.3174.8000107.4P495 A498 N502 L555 K559 K560P495-I557 HydrophobicContact CB-CD1 4.18Å; P495-I557 HydrophobicContact CG-CD1 4.08Å; A498-I557 HydrophobicContact CB-CD1 3.89Å; N502-I557 HydrophobicContact CB-CD1 4.25Å; N502-I557 HydrophobicContact CB-CG1 4.47Å; N502-I557 WeakPolarHBondContact ND2-CD1 3.23Å; L555-I557 HydrophobicContact CD2-CD1 3.72Å; L555-I557 HydrophobicContact CD2-CG1 4.04Å; L555-I557 HydrophobicContact CG-CD1 4.44Å; L555-I557 HydrophobicContact CG-CG1 4.22Å; I557-K559 PolarHBondContact O-N 3.08Å; I557-K560 PolarHBondContact N-O 3.21Å; I557-K560 PolarHBondContact O-N 2.88Å
558G80.3Confident88.8Confident62 Ų6283.3 Ų83.364%0.63940%0.402SS*.THydrogen-bonded Turntrans57.9-107.9-174.600000112.2Q556Q556-G558 PolarHBondContact NE2-O 3.45Å
559K78.5Confident88.7Confident214 Ų21479.9 Ų79.993%0.9337%0.373SS*.THydrogen-bonded Turntrans-97-4.7178.9-65.2-174.9179.3-179.40114.4I557I557-K559 PolarHBondContact O-N 3.08Å
560K77Confident88.2Confident118 Ų11877.6 Ų77.651%0.51336%0.362SS..EExtended strand (participates in β ladder)trans-99.5134.1179.6-65.7-174.4179.5-175.60109.9E497 Q556 I557E497-K560 IonicContact OE1-NZ 3.54Å; E497-K560 PolarHBondContact OE1-NZ 2.92Å; Q556-K560 CarbonylContact C-O 3.59Å; Q556-K560 WeakPolarHBondContact CA-O 3.19Å; I557-K560 PolarHBondContact N-O 3.21Å; I557-K560 PolarHBondContact O-N 2.88Å
561Q85.3Confident87.4Confident130 Ų13075.4 Ų75.461%0.60735%0.354SS*.EExtended strand (participates in β ladder)trans-125.4141.3172.469.8-17710.300110.3Y554 L555Y554-Q561 HydrophobicContact CD1-CB 4.17Å; Y554-Q561 HydrophobicContact CD1-CG 4.22Å; Y554-Q561 HydrophobicContact CE1-CG 4.48Å; L555-Q561 WeakPolarHBondContact O-CA 3.43Å
562R87.4Confident86.4Confident100 Ų10075.2 Ų75.238%0.37736%0.356SS..EExtended strand (participates in β ladder)trans-141.2142.8169.1-74.9-170.8174.4173.4-5.1109.6G493 L494 P495 Y554 L555 I564G493-R562 WeakPolarHBondContact O-CD 3.32Å; L494-R562 PolarHBondContact O-NH1 2.93Å; P495-R562 HydrophobicContact CG-CB 4.48Å; P495-R562 HydrophobicContact CG-CG 4.41Å; Y554-R562 CarbonylContact C-O 3.6Å; Y554-R562 VanDerWaalsContact CA-O 3.29Å; Y554-R562 WeakPolarHBondContact CA-O 3.36Å; L555-R562 PolarHBondContact N-O 3.22Å; L555-R562 PolarHBondContact O-N 2.85Å; R562-I564 HydrophobicContact CB-CD1 4.42Å
563Y90.8Very high85.5Confident124 Ų12475.1 Ų75.149%0.48636%0.356SS..EExtended strand (participates in β ladder)trans-71.1142.3164.165.5-89.9000108.9K553 E565K553-Y563 CarbonylContact O-C 3.51Å; K553-Y563 WeakPolarHBondContact O-CA 3.33Å; Y563-E565 HydrophobicContact CE2-CG 4.4Å
564I93.3Very high84.4Confident0 Ų070.8 Ų70.80%034%0.337CS..EExtended strand (participates in β ladder)trans-112.7124.5-179.1-53.7-54.4000108.7L491 R492 L494 F506 N552 K553 L555 R562 V566L491-I564 HydrophobicContact CB-CG2 4.03Å; L491-I564 HydrophobicContact CD2-CG2 4.07Å; L491-I564 HydrophobicContact CG-CG2 4.47Å; R492-I564 WeakPolarHBondContact O-CA 3.15Å; R492-I564 WeakPolarHBondContact O-CG2 3.43Å; L494-I564 HydrophobicContact CD2-CD1 3.89Å; L494-I564 HydrophobicContact CD2-CG1 4.36Å; L494-I564 HydrophobicContact CD2-CG2 4.41Å; L494-I564 HydrophobicContact CG-CD1 4.46Å; F506-I564 HydrophobicContact CD2-CG1 4.46Å; F506-I564 HydrophobicContact CE1-CB 4.2Å; F506-I564 HydrophobicContact CE1-CG2 4.07Å; F506-I564 HydrophobicContact CE2-CB 4.03Å; F506-I564 HydrophobicContact CE2-CG1 3.88Å; F506-I564 HydrophobicContact CZ-CB 3.61Å; F506-I564 HydrophobicContact CZ-CG1 3.96Å; F506-I564 HydrophobicContact CZ-CG2 3.99Å; N552-I564 WeakPolarHBondContact CA-O 3.24Å; N552-I564 PolarHBondContact N-O 3.49Å; K553-I564 PolarHBondContact O-N 2.79Å; L555-I564 HydrophobicContact CB-CD1 3.92Å; L555-I564 HydrophobicContact CB-CG1 3.69Å; R562-I564 HydrophobicContact CB-CD1 4.42Å; I564-V566 HydrophobicContact CG2-CG2 4.28Å
565E93.4Very high83.3Confident67 Ų6765.5 Ų65.531%0.31332%0.318SS..EExtended strand (participates in β ladder)trans-80.4129.4170.4-60.1173.617800108.5L491 R492 Y563 F567L491-E565 CarbonylContact C-O 3.54Å; L491-E565 WeakPolarHBondContact CA-O 3.32Å; R492-E565 HydrophobicContact CB-CB 4.02Å; R492-E565 PolarHBondContact N-O 3.23Å; R492-E565 PolarHBondContact O-N 2.95Å; Y563-E565 HydrophobicContact CE2-CG 4.4Å; E565-F567 HydrophobicContact CB-CD2 4.41Å; E565-F567 HydrophobicContact CB-CE2 3.49Å; E565-F567 VanDerWaalsContact CB-CE2 3.49Å; E565-F567 HydrophobicContact CB-CZ 3.8Å; E565-F567 HydrophobicContact CG-CE2 4.47Å; E565-F567 HydrophobicContact CG-CZ 4.44Å; E565-F567 WeakPolarHBondContact OE2-CE2 3.27Å; E565-F567 WeakPolarHBondContact OE2-CZ 3.39Å
566V94.6Very high82.3Confident4 Ų471.2 Ų71.22%0.02435%0.348CS..EExtended strand (participates in β ladder)trans-118.2131.1178-169.30000109.4I489 R490 L491 F506 A547 R550 H551 I564I489-V566 HydrophobicContact CB-CG1 4.2Å; I489-V566 HydrophobicContact CD1-CG1 4.11Å; R490-V566 WeakPolarHBondContact O-CA 3.4Å; L491-V566 HydrophobicContact CD2-CB 4.22Å; L491-V566 HydrophobicContact CD2-CG1 3.87Å; L491-V566 HydrophobicContact CD2-CG2 3.57Å; F506-V566 HydrophobicContact CE1-CG2 4.03Å; F506-V566 HydrophobicContact CZ-CG2 4.32Å; A547-V566 HydrophobicContact CB-CG1 4.11Å; R550-V566 HydrophobicContact CB-CG2 3.93Å; H551-V566 HydrophobicContact CB-CB 4.27Å; H551-V566 PolarHBondContact ND1-N 3.26Å; H551-V566 PolarHBondContact ND1-O 3.04Å; I564-V566 HydrophobicContact CG2-CG2 4.28Å
567F92.5Very high81.2Confident81 Ų8166.5 Ų66.536%0.35533%0.329SS..EExtended strand (participates in β ladder)trans-131.5138.3180-55.4-82.8000110.3I489 R490 R492 E565I489-F567 CarbonylContact C-O 3.58Å; I489-F567 VanDerWaalsContact CA-O 3.24Å; I489-F567 WeakPolarHBondContact CA-O 3.21Å; R490-F567 PolarHBondContact N-O 3.01Å; R490-F567 PolarHBondContact O-N 3.34Å; R492-F567 HydrophobicContact CB-CE2 4.4Å; E565-F567 HydrophobicContact CB-CD2 4.41Å; E565-F567 HydrophobicContact CB-CE2 3.49Å; E565-F567 VanDerWaalsContact CB-CE2 3.49Å; E565-F567 HydrophobicContact CB-CZ 3.8Å; E565-F567 HydrophobicContact CG-CE2 4.47Å; E565-F567 HydrophobicContact CG-CZ 4.44Å; E565-F567 WeakPolarHBondContact OE2-CE2 3.27Å; E565-F567 WeakPolarHBondContact OE2-CZ 3.39Å
568Q92.4Very high80.1Confident68 Ų6868 Ų6832%0.31834%0.337SS..EExtended strand (participates in β ladder)trans-75.5137.3170.6-166.7-176.812.600110.2R486 E540 A543 A547R486-Q568 HydrophobicContact CB-CG 4.1Å; R486-Q568 PolarHBondContact O-NE2 2.81Å; E540-Q568 PolarHBondContact O-NE2 3.08Å; A543-Q568 HydrophobicContact CB-CG 4.22Å; A547-Q568 HydrophobicContact CB-CB 4.34Å
569C89.7Confident78.9Confident12 Ų1269.2 Ų69.28%0.08133%0.332CS..EExtended strand (participates in β ladder)trans-145.2174.3-179.970.90000111.4R486 C488 D573R486-C569 CarbonylContact C-O 3.58Å; R486-C569 WeakPolarHBondContact CA-O 3.31Å; C488-C569 CarbonylContact C-O 3.57Å; C488-C569 WeakPolarHBondContact CB-O 3.24Å; C488-C569 PolarHBondContact N-O 2.87Å; C488-C569 PolarHBondContact O-N 3.48Å; C569-D573 HydrophobicContact CB-CB 3.94Å
570S84.7Confident76.9Confident12 Ų1261.2 Ų61.28%0.08431%0.311CS..  trans-92.6169.7170.465.50000113R485 D572 D573 M574R485-S570 VanDerWaalsContact O-CA 3.24Å; R485-S570 WeakPolarHBondContact O-CA 3.44Å; R485-S570 WeakPolarHBondContact O-CB 3.49Å; S570-D572 PolarHBondContact OG-N 3.11Å; S570-D573 WeakPolarHBondContact CB-OD2 3.24Å; S570-D573 PolarHBondContact N-OD2 3.18Å; S570-D573 PolarHBondContact O-N 2.83Å; S570-D573 PolarHBondContact OG-N 3.16Å; S570-D573 PolarHBondContact OG-OD2 2.94Å; S570-M574 PolarHBondContact O-N 2.96Å
571A74Confident74.8Confident5 Ų562 Ų624%0.04133%0.328CS..Hα-helixtrans-66.6-28168.400000112I481 M574 N575I481-A571 VanDerWaalsContact O-CB 3.31Å; I481-A571 WeakPolarHBondContact O-CB 3.36Å; A571-M574 WeakPolarHBondContact O-CB 3.29Å; A571-M574 PolarHBondContact O-N 2.94Å; A571-N575 PolarHBondContact O-N 2.87Å; A571-N575 PolarHBondContact O-ND2 2.93Å; A571-N575 VanDerWaalsContact O-ND2 3.13Å
572D71.9Confident72Confident70 Ų7059 Ų5937%0.37433%0.325SS..Hα-helixtrans-72.8-39.1176.2-55.9-38.5000111.1G483 S484 S570 M574 N575 L576G483-D572 VanDerWaalsContact C-OD2 3.24Å; G483-D572 PolarHBondContact N-OD1 2.74Å; S484-D572 PolarHBondContact N-OD2 2.66Å; S570-D572 PolarHBondContact OG-N 3.11Å; D572-M574 VanDerWaalsContact C-N 3.29Å; D572-M574 PolarHBondContact O-N 3.37Å; D572-N575 PolarHBondContact O-N 2.71Å; D572-L576 WeakPolarHBondContact O-CB 3.46Å; D572-L576 PolarHBondContact O-N 3.5Å
573D71.3Confident69Low77 Ų7759.6 Ų59.641%0.41234%0.342SS..Hα-helixtrans-60.4-38.1169.8-66.2-62.1000112.1C569 S570 V577C569-D573 HydrophobicContact CB-CB 3.94Å; S570-D573 WeakPolarHBondContact CB-OD2 3.24Å; S570-D573 PolarHBondContact N-OD2 3.18Å; S570-D573 PolarHBondContact O-N 2.83Å; S570-D573 PolarHBondContact OG-N 3.16Å; S570-D573 PolarHBondContact OG-OD2 2.94Å; D573-V577 PolarHBondContact O-N 3.07Å
574M69.9Low66Low10 Ų1062 Ų625%0.04936%0.361CS..Hα-helixtrans-64.5-51.2176.1179.6-174.4-33.500110.7C488 H520 F534 Q536 S570 A571 D572 L576 V577 L578C488-M574 HydrophobicContact CB-CE 3.81Å; C488-M574 WeakPolarHBondContact SG-CE 3.17Å; H520-M574 VanDerWaalsContact CD2-SD 3.5Å; F534-M574 HydrophobicContact CB-CB 4.46Å; F534-M574 HydrophobicContact CB-CE 3.96Å; F534-M574 HydrophobicContact CB-CG 3.62Å; F534-M574 HydrophobicContact CB-SD 3.74Å; F534-M574 HydrophobicContact CD1-CB 3.83Å; F534-M574 HydrophobicContact CD1-CG 3.82Å; F534-M574 HydrophobicContact CD2-CG 4.07Å; F534-M574 HydrophobicContact CE1-CB 4.21Å; F534-M574 HydrophobicContact CE1-CG 4.47Å; F534-M574 HydrophobicContact CG-CB 4.14Å; F534-M574 HydrophobicContact CG-CG 3.58Å; F534-M574 HydrophobicContact CG-SD 4.38Å; Q536-M574 HydrophobicContact CB-CE 4.48Å; S570-M574 PolarHBondContact O-N 2.96Å; A571-M574 WeakPolarHBondContact O-CB 3.29Å; A571-M574 PolarHBondContact O-N 2.94Å; D572-M574 VanDerWaalsContact C-N 3.29Å; D572-M574 PolarHBondContact O-N 3.37Å; M574-L576 VanDerWaalsContact C-N 3.31Å; M574-L576 PolarHBondContact O-N 3.05Å; M574-V577 PolarHBondContact O-N 2.7Å; M574-V577 VanDerWaalsContact O-N 3.17Å; M574-L578 HydrophobicContact CG-CD1 3.66Å; M574-L578 HydrophobicContact CG-CG 4.23Å; M574-L578 WeakPolarHBondContact O-CG 3.23Å; M574-L578 PolarHBondContact O-N 3.38Å; M574-L578 HydrophobicContact SD-CD1 4.16Å
575N67.2Low62.9Low33 Ų3368.6 Ų68.618%0.17639%0.392CS..Hα-helixtrans-58.9-40.8177.9-78-44.3000112A571 D572 V577 L578 T579A571-N575 PolarHBondContact O-N 2.87Å; A571-N575 PolarHBondContact O-ND2 2.93Å; A571-N575 VanDerWaalsContact O-ND2 3.13Å; D572-N575 PolarHBondContact O-N 2.71Å; N575-V577 PolarHBondContact O-N 3.42Å; N575-L578 PolarHBondContact O-N 2.89Å; N575-T579 WeakPolarHBondContact O-CB 3.47Å; N575-T579 WeakPolarHBondContact O-CG2 3.33Å; N575-T579 PolarHBondContact O-N 3.23Å; N575-T579 PolarHBondContact O-OG1 3.13Å
576L66.9Low59.7Low129 Ų12969.7 Ų69.768%0.67541%0.407SS*.Hα-helixtrans-61.3-28179.2-177.162000113.3D572 M574D572-L576 WeakPolarHBondContact O-CB 3.46Å; D572-L576 PolarHBondContact O-N 3.5Å; M574-L576 VanDerWaalsContact C-N 3.31Å; M574-L576 PolarHBondContact O-N 3.05Å
577V61.1Low56.5Low41 Ų4174.4 Ų74.425%0.24844%0.44CS..Hα-helixtrans-91.6-39.8177.3177.70000112.1F534 D573 M574 N575 T579 G580F534-V577 HydrophobicContact CE2-CB 3.83Å; F534-V577 HydrophobicContact CE2-CG1 3.68Å; F534-V577 HydrophobicContact CZ-CB 3.63Å; F534-V577 HydrophobicContact CZ-CG1 3.8Å; F534-V577 HydrophobicContact CZ-CG2 3.91Å; D573-V577 PolarHBondContact O-N 3.07Å; M574-V577 PolarHBondContact O-N 2.7Å; M574-V577 VanDerWaalsContact O-N 3.17Å; N575-V577 PolarHBondContact O-N 3.42Å; V577-T579 VanDerWaalsContact C-N 3.25Å; V577-T579 PolarHBondContact O-N 3.19Å; V577-G580 PolarHBondContact O-N 2.69Å
578L61Low53.5Low71 Ų7179.2 Ų79.237%0.37247%0.469SS..Hα-helixtrans-66.3-26.5175.7-67.2178.5000112.9H520 V522 F534 M574 N575H520-L578 HydrophobicContact CB-CD1 4.11Å; V522-L578 HydrophobicContact CG2-CD2 4.16Å; F534-L578 HydrophobicContact CD2-CD2 4.41Å; M574-L578 HydrophobicContact CG-CD1 3.66Å; M574-L578 HydrophobicContact CG-CG 4.23Å; M574-L578 WeakPolarHBondContact O-CG 3.23Å; M574-L578 PolarHBondContact O-N 3.38Å; M574-L578 HydrophobicContact SD-CD1 4.16Å; N575-L578 PolarHBondContact O-N 2.89Å
579T53.3Low50.6Low88 Ų8883.6 Ų83.654%0.5449%0.493SS..THydrogen-bonded Turntrans-99.925.8174.363.30000113.1N575 V577 A582N575-T579 WeakPolarHBondContact O-CB 3.47Å; N575-T579 WeakPolarHBondContact O-CG2 3.33Å; N575-T579 PolarHBondContact O-N 3.23Å; N575-T579 PolarHBondContact O-OG1 3.13Å; V577-T579 VanDerWaalsContact C-N 3.25Å; V577-T579 PolarHBondContact O-N 3.19Å; T579-A582 PolarHBondContact O-N 2.6Å
580G37.7Very low47.7Very low46 Ų4688 Ų8847%0.47452%0.522SS..THydrogen-bonded Turntrans-40.6135.6-175.900000113.7V577 A582V577-G580 PolarHBondContact O-N 2.69Å; G580-A582 PolarHBondContact O-N 2.83Å
581P32.1Very low44.9Very low135 Ų13593 Ų9388%0.87756%0.564SS**THydrogen-bonded Turn-47.799.5-129.619-33.9000113.1
582A27.6Very low42.7Very low66 Ų6697.1 Ų97.155%0.54560%0.598SS.*  trans-52.7132.3175.700000110.4T579 G580 I584T579-A582 PolarHBondContact O-N 2.6Å; G580-A582 PolarHBondContact O-N 2.83Å; A582-I584 PolarHBondContact O-N 2.94Å
583P24.2Very low40.6Very low113 Ų11398.6 Ų98.673%0.73462%0.62SS**  trans-67.4102.9173.428.1-32.4000107.9H585P583-H585 PolarHBondContact O-N 2.96Å
584I27.6Very low38.5Very low173 Ų173100 Ų10089%0.88764%0.642SS**  trans-71.468.3174.130173.5000110.5A582A582-I584 PolarHBondContact O-N 2.94Å
585H27.2Very low36.6Very low139 Ų139107.7 Ų107.764%0.64468%0.682SS**  trans-79.4116.7167.4-121.6-64.8000108.9P583P583-H585 PolarHBondContact O-N 2.96Å
586S27.3Very low34.9Very low90 Ų90111 Ų11163%0.62971%0.714SS**SBendtrans74.4130.2149.2-47.50000119.6
587S26.7Very low33Very low104 Ų104110 Ų11073%0.72772%0.724SS**  trans55.9100.6140.459.30000120
588L29.5Very low31.5Very low182 Ų182112 Ų11295%0.95375%0.746SS**  trans-114.7137.4137-80.4171.1000109.1
589L31.4Very low30.3Very low159 Ų159117.9 Ų117.983%0.83277%0.771SS**  trans-85157.2-175.3-77.3165.3000111.9A591L589-A591 PolarHBondContact O-N 3.2Å
590P28.5Very low29.4Very low106 Ų106118.3 Ų118.369%0.68878%0.783SS**  trans-70.3124.2-173.527.7-35.2000112.8A592P590-A592 PolarHBondContact O-N 3.03Å
591A26.6Very low29.1Very low117 Ų117127.3 Ų127.397%0.96780%0.803SS**SBendtrans-76.661.5173.300000112.1L589L589-A591 PolarHBondContact O-N 3.2Å
592A27.9Very low29.2Very low91 Ų91126 Ų12675%0.75280%0.797SS**  trans-142.624-174.200000114.4P590P590-A592 PolarHBondContact O-N 3.03Å
593A28.4Very low29.6Very low101 Ų101129.4 Ų129.484%0.83581%0.811SS**  trans-145.144.3-174.500000114.2
594A26.7Very low30.1Very low105 Ų105131.8 Ų131.887%0.86882%0.817SS**  trans-12433.3-174.500000114.5
595L30.2Very low30.6Very low173 Ų173128.9 Ų128.991%0.90681%0.809SS**SBendtrans-14936.1-179.5-127.3165.2000114.2
596A30.3Very low31Very low102 Ų102126.7 Ų126.784%0.84382%0.815SS**  trans-141.233-179.900000113.7A598A596-A598 PolarHBondContact O-N 3.27Å
597A26.9Very low31.3Very low108 Ų108127.6 Ų127.689%0.89383%0.828SS**  trans-99.875.1-178.100000112.1
598A31.1Very low31.7Very low84 Ų84125.9 Ų125.969%0.69483%0.826SS**  trans-145.4122.417800000113.9A596A596-A598 PolarHBondContact O-N 3.27Å
599Q36.1Very low31.9Very low194 Ų194125.7 Ų125.791%0.90783%0.827SS**SBendtrans80.9134.6161.7-51.3-176.88.100119.5
600A33.5Very low32Very low96 Ų96121.3 Ų121.379%0.79382%0.82SS**  trans49.7111.1169.700000119.2
601R31.1Very low32.3Very low236 Ų236123.1 Ų123.189%0.89183%0.829SS**  cis79.29943.7-73.8-167.1165.8-177.3-3.4118.1
602S34.4Very low32.7Very low106 Ų106125 Ų12574%0.74182%0.822SS**  64148.4128.6680000120.6
603T36.6Very low33.4Very low138 Ų138125.8 Ų125.885%0.84782%0.819SS**  cis-149.8-169.136.4430000115.4
604L33.6Very low33.7Very low163 Ų163126.2 Ų126.285%0.85382%0.816SS**  trans-109.1-165.9-168-80.2161.3000112.5
605P39.5Very low34.6Very low113 Ų113127.3 Ų127.373%0.73481%0.814SS**  -145.1-173.5-50.141.7-23.6000117.5
606A34.5Very low35Very low93 Ų93123.4 Ų123.477%0.76981%0.807SS**  trans97.4137.8130.200000126.6
607A34.3Very low35.3Very low109 Ų109126.4 Ų126.490%0.90181%0.808SS**  trans67.1149.7148.500000122.3
608G35.1Very low35.6Very low67 Ų67125.3 Ų125.369%0.69180%0.799SS**  cis168.5160.8-10.100000115.6
609N33.1Very low35.7Very low179 Ų179127.5 Ų127.596%0.95780%0.804SS**  trans51.2149.2163.6-59.3-4.4000121.6
610G34.1Very low35.7Very low67 Ų67122.3 Ų122.369%0.69179%0.794SS**  cis165-177.3-4.800000113.2
611V34.3Very low35.6Very low144 Ų144125.2 Ų125.287%0.87380%0.795SS**  trans74.3149.5163.8173.70000118.1
612L34.4Very low35.8Very low157 Ų157123.3 Ų123.382%0.82279%0.794SS**  cis-160.7172.7-31.8-93.1-175.8000110.2
613P43.2Very low35.9Very low106 Ų106122.9 Ų122.969%0.68879%0.791SS**  trans-129-175-164.544.5-32.1000117.9
614S35.5Very low35.9Very low111 Ų111124 Ų12478%0.77679%0.792SS**  trans151163.3133.6-72.50000117.9
615P45Very low36.5Very low128 Ų128121.2 Ų121.283%0.83178%0.783SS**  trans-138.2-166.5-156.545.8-27.6000118
616A37.5Very low36.3Very low91 Ų91126.4 Ų126.475%0.75280%0.795SS**  trans-164.5177.316700000110.7
617L36.5Very low36.5Very low165 Ų165125.4 Ų125.486%0.86479%0.794SS**  cis-164.7124.5-4.2-165.875.8000113.6
618A34.4Very low36.6Very low85 Ų85123.5 Ų123.570%0.70279%0.785SS**  trans50.9173.4150.100000122.1
619T33.3Very low36.8Very low130 Ų130128.6 Ų128.680%0.79878%0.784SS**  cis-160.9156.84.2-210000113.9
620A36Very low37.4Very low85 Ų85124.5 Ų124.570%0.70277%0.767SS**  trans65.1166.6145.700000122.5
621L30.8Very low37.7Very low157 Ų157131.2 Ų131.282%0.82278%0.778SS**  -172.6-176.8-52.2-108.9169.7000111.6
622F36.2Very low37.7Very low195 Ų195130.8 Ų130.886%0.85577%0.77SS**  trans91.4164.4174.1-56.5-71.7000119.8
623S35.7Very low38.1Very low97 Ų97128 Ų12868%0.67876%0.761SS**  -172145.1-93.753.30000118.1
624N37.9Very low38.2Very low163 Ų163128.2 Ų128.287%0.87276%0.763SS**  trans89.5154149.5-91.433.8000126.5
625P44.7Very low38.5Very low104 Ų104131.8 Ų131.868%0.67577%0.767SS**  trans-141.7-166.9-161.946.5-26.1000118.6
626F36.4Very low38.6Very low222 Ų222131.1 Ų131.197%0.97476%0.76SS**  trans-165.9165.8163.9-93.7-80.2000111.8
627G37.5Very low38.5Very low72 Ų72137.7 Ų137.774%0.74277%0.766SS**  cis160.264.5-18.200000122.4
628G36.9Very low39Very low69 Ų69134.5 Ų134.571%0.71176%0.755SS**  trans100.1172.7156.300000120.5
629Y38.8Very low39.6Very low173 Ų173136.7 Ų136.768%0.67876%0.762SS**  cis-166.7166-20.5-95.4-63.3000112.2P744Y629-P744 HydrophobicContact CE1-CB 4.35Å
630P45.6Very low40.2Very low93 Ų93134 Ų13460%0.60476%0.76SS**  trans-121.6-164.6-168.246-36.9000117.6
631F40.2Very low40.5Very low208 Ų208135 Ų13591%0.91277%0.769SS**  trans-153.7152.4170.7-114.4-82.8000116.6
632L34.1Very low41Very low135 Ų135132 Ų13271%0.70777%0.766SS**  trans-157.1-159-174.1-90.3177.2000111
633P44.4Very low41.4Very low99 Ų99128.8 Ų128.864%0.64377%0.765SS**  cis-128.8-94.4-10.120.18.4000120.4
634P44Very low42.2Very low111 Ų111129.6 Ų129.672%0.72177%0.768SS**  trans-139.2-174-138.546-25.2000119.5
635Q43.4Very low42.3Very low186 Ų186129 Ų12987%0.86976%0.764SS**  trans170.7169.5156.1-97.7-16039.100111.8
636V46.2Very low42Very low113 Ų113131.2 Ų131.269%0.68577%0.765SS**  cis-172.8158.2-25132.90000110.3
637W36.1Very low42Very low229 Ų229127.8 Ų127.887%0.86776%0.757SS**  cis-157.3-83.2-38.5-164.113.8000119.1
638P45.5Very low42.2Very low98 Ų98127.3 Ų127.364%0.63675%0.752SS**  trans-133-142.7-13843.4-20.6000119.6
639P47.9Very low42Very low131 Ų131129.7 Ų129.785%0.85175%0.753SS**  -152.7-149.5-112.150-26.4000119.6
640G46.3Very low41.8Very low73 Ų73132 Ų13275%0.75376%0.761SS**  trans174.5177.7159.700000111.6
641A41.4Very low41.3Very low108 Ų108133.1 Ų133.189%0.89377%0.766SS**  cis-175.8165.8-2500000107.2
642A41Very low40.8Very low93 Ų93127.5 Ų127.577%0.76976%0.758SS**  cis-159167.6-4.100000110.5
643P45.9Very low40.7Very low127 Ų127128.2 Ų128.283%0.82577%0.768SS**  trans-132-124.4-149.335.4-10.2000120.7
644P51.9Low40Very low114 Ų114126.6 Ų126.674%0.7476%0.763SS**  -140.3-154-124.647.1-24.4000117
645L40.4Very low39.5Very low150 Ų150127.7 Ų127.779%0.78577%0.768SS**  trans-174.4163.8165.6-99.7160.7000109.2
646Q38.7Very low39.1Very low152 Ų152125.6 Ų125.671%0.7177%0.767SS**  cis-160169.5-5.5-162.916328.600113.2
647N36.7Very low38.7Very low150 Ų150123 Ų12380%0.80276%0.764SS**  trans-16.7160168.6-51-5000123.6
648G39.9Very low38.7Very low62 Ų62120.1 Ų120.164%0.63977%0.765SS**  cis153146.3-13.100000118.5
649T33.5Very low38.2Very low119 Ų119120.4 Ų120.473%0.7377%0.77SS**  trans62.4151.115259.10000121.2
650W35.8Very low37.6Very low221 Ų221119.8 Ų119.884%0.83776%0.764SS**  cis-154.7168.834.6-86.698.6000116.9
651T34.3Very low36.9Very low116 Ų116123.8 Ų123.871%0.71277%0.767SS**  trans-34175.7166.748.40000122.8
652A30.6Very low36.7Very low90 Ų90123.1 Ų123.174%0.74475%0.754SS**  cis174.8-168.9-24.300000112
653V31.5Very low36.2Very low151 Ų151128.2 Ų128.292%0.91575%0.754SS**  trans114.5145.3161.7-176.10000116.5
654A28.9Very low35.6Very low65 Ų65128.5 Ų128.554%0.53775%0.748SS.*  trans-149.9-156.3-161.500000114.8
655T33.9Very low34.5Very low134 Ų134130.7 Ų130.782%0.82275%0.752SS**  trans83.3144.3178.172.20000116.3
656T35.2Very low34.1Very low141 Ų141130.2 Ų130.287%0.86575%0.75SS**  cis-163.8175.1-9.813.20000108.4
657G36.5Very low34Very low59 Ų59128.5 Ų128.561%0.60875%0.752SS**  cis160.9163.8-0.600000112.2
658N36.6Very low33.9Very low168 Ų168127.1 Ų127.190%0.89875%0.75SS**  trans67.5154.6176.6-59.7-8.7000116.6
659S36.1Very low33.6Very low105 Ų105130.5 Ų130.573%0.73476%0.76SS**  cis-173.2169.7-3.237.30000107.9
660T34.7Very low33.6Very low117 Ų117136.7 Ų136.772%0.71877%0.77SS**  cis-167.8139.5015.20000107.8
661L30.8Very low33.5Very low157 Ų157134.2 Ų134.282%0.82277%0.773SS**  62.6150.891-61.9-173.2000118.7
662P37.3Very low33.5Very low94 Ų94134.7 Ų134.761%0.6178%0.778SS**  cis-148.3-155.4-46.642.2-21.7000115.9
663Y32.1Very low33.4Very low200 Ų200137 Ų13778%0.78478%0.782SS**  trans98.4138.3171.9-70.7-94000117.6
664I32.4Very low33.5Very low134 Ų134138.1 Ų138.169%0.68778%0.781SS**  cis127133.63.7-84.7167.2000109.7
665L28.8Very low33.6Very low160 Ų160140.8 Ų140.884%0.83880%0.796SS**  cis-159-167.2-3.4-122.2175.1000112.6
666N31.4Very low33.5Very low139 Ų139137.4 Ų137.474%0.74379%0.788SS**  trans-86.8-176.3172.7-135.68.7000111.7
667P37.2Very low33.4Very low116 Ų116137.6 Ų137.675%0.75379%0.788SS**  cis-144-160.224.844.4-21.5000117.6
668T34.4Very low33.2Very low121 Ų121138.9 Ų138.974%0.74279%0.794SS**  trans-103168.4-179.853.90000114.3
669P34.7Very low33Very low133 Ų133135.9 Ų135.986%0.86479%0.786SS**  -151.5-145.1108.241-21000116.2
670R33.1Very low32.9Very low250 Ų250139 Ų13994%0.94379%0.793SS**  trans-109.8177.1-156.7-81.9-176.2173.2-180-1.6117.9
671L32.9Very low32.6Very low169 Ų169142.4 Ų142.489%0.88580%0.799SS**  trans-66.5166.3-176.1-57.8164.3000118.2
672P33.5Very low32.6Very low126 Ų126140.9 Ų140.982%0.81880%0.798SS**  trans-115.8-179.4150.639.7-29.3000114.5
673V30.5Very low32.1Very low139 Ų139142 Ų14284%0.84280%0.804SS**  trans-122.8157.9-171.7173.30000111.7
674I32.2Very low32Very low173 Ų173140.5 Ų140.589%0.88781%0.807SS**  trans-157.8163.3156-107.9153.8000111.7
675S31.4Very low31.7Very low121 Ų121140.2 Ų140.285%0.84681%0.812SS**  trans-115.8165.1-163.6-176.60000114.8
676G32.3Very low31.6Very low64 Ų64137.2 Ų137.266%0.6681%0.81SS**  trans175.791.9172.200000119.8
677V32.6Very low31.4Very low144 Ų144135 Ų13587%0.87381%0.811SS**  trans40.6121144.8-76.30000125.3
678A31.9Very low31.1Very low87 Ų87135.7 Ų135.772%0.71982%0.816SS**  79.5103.7120.900000124.6
679S32.5Very low30.8Very low105 Ų105133.6 Ų133.673%0.73482%0.818SS**  51.2121.5129.365.70000123.5
680L34Very low30.5Very low170 Ų170131.8 Ų131.889%0.8981%0.814SS**  -175.1155.4103.9-96.1166.4000112.6
681F28Very low30.4Very low189 Ų189126.3 Ų126.383%0.82981%0.808SS**  trans-91.3158.4-178.5-85.9-74.4000111.6
682P31.3Very low30.1Very low125 Ų125123.3 Ų123.381%0.81280%0.797SS**  -148.5175.464.340.8-19.8000119
683T26.2Very low29.8Very low118 Ų118126.7 Ų126.772%0.72479%0.794SS**  trans-63.5138.9-176.5-46.10000115.8
684I31.3Very low29.8Very low168 Ų168129.4 Ų129.486%0.86279%0.79SS**  trans-134.2139.5151.3-66.4-175.2000109.4
685T26Very low29.7Very low128 Ų128126.5 Ų126.579%0.78578%0.782SS**  trans-99.7129.9-177.4-25.80000111.4
686A26.2Very low29.6Very low96 Ų96130.4 Ų130.479%0.79378%0.78SS**  trans175.2144.5145.200000114.3
687A27.8Very low29.6Very low92 Ų92132.8 Ų132.876%0.7678%0.783SS**  trans61.7139157.200000120.3
688P29.7Very low29.3Very low132 Ų132130.5 Ų130.586%0.85777%0.774SS**PPolyproline II helixtrans-75.6131.4172.831.3-33.4000111.6
689G29.3Very low29.4Very low77 Ų77131.3 Ų131.379%0.79477%0.771SS**PPolyproline II helixtrans-69.1148.5-179.500000114
690A27.1Very low29.3Very low94 Ų94132.1 Ų132.178%0.77777%0.774SS**PPolyproline II helixtrans-67.8150-17800000113.4V692A690-V692 PolarHBondContact O-N 3.43Å
691V31.6Very low29Very low136 Ų136130 Ų13082%0.82477%0.768SS**  trans-69.4109.2176.5179.40000110.2Y693V691-Y693 PolarHBondContact O-N 2.8Å
692V27.3Very low29.1Very low106 Ų106125.7 Ų125.764%0.64276%0.762SS**  trans-78103.2173179.60000109.4A690 W694A690-V692 PolarHBondContact O-N 3.43Å; V692-W694 HydrophobicContact CG1-CZ2 4.38Å; V692-W694 PolarHBondContact O-N 2.82Å
693Y26.6Very low29Very low197 Ų197124.9 Ų124.977%0.77376%0.756SS**  trans-81.3105.5178-157.3-82.4000110.1V691 P695V691-Y693 PolarHBondContact O-N 2.8Å; Y693-P695 WeakPolarHBondContact O-CD 3.38Å
694W30.7Very low29.1Very low196 Ų196123.7 Ų123.774%0.74275%0.749SS**  trans-78.8118.3176.6-71.7101.4000111.1V692 Y696V692-W694 HydrophobicContact CG1-CZ2 4.38Å; V692-W694 PolarHBondContact O-N 2.82Å; W694-Y696 VanDerWaalsContact C-N 3.31Å; W694-Y696 HydrophobicContact CB-CD2 4.32Å; W694-Y696 PolarHBondContact O-N 3.03Å
695P29.6Very low28.8Very low111 Ų111120.5 Ų120.572%0.72174%0.741SS**  trans-81.376-179.934.2-35000110.8Y693Y693-P695 WeakPolarHBondContact O-CD 3.38Å
696Y29.3Very low29Very low204 Ų204124.2 Ų124.280%0.874%0.743SS**PPolyproline II helixtrans-75.2131.2164.1-91.9-90000109.8W694 S698W694-Y696 VanDerWaalsContact C-N 3.31Å; W694-Y696 HydrophobicContact CB-CD2 4.32Å; W694-Y696 PolarHBondContact O-N 3.03Å; Y696-S698 PolarHBondContact O-N 3.07Å
697P31.9Very low29.2Very low113 Ų113128.7 Ų128.773%0.73474%0.744SS**PPolyproline II helixtrans-66134.6171.328.6-33.3000109.2
698S27.7Very low29.2Very low97 Ų97130.3 Ų130.368%0.67875%0.745SS**PPolyproline II helixtrans-54.6139.4-180-49.70000111.3Y696Y696-S698 PolarHBondContact O-N 3.07Å
699P34.1Very low29.2Very low103 Ų103129.5 Ų129.567%0.66974%0.743SS**PPolyproline II helixtrans-58.4149168.926.4-33.8000109.9V701P699-V701 PolarHBondContact O-N 2.85Å
700P30.3Very low29.3Very low122 Ų122129.7 Ų129.779%0.79274%0.737SS**PPolyproline II helixtrans-56.6140.7-177.3-24.834.2000111.9S702P700-S702 PolarHBondContact O-N 2.95Å
701V27.8Very low29.4Very low126 Ų126128.8 Ų128.876%0.76474%0.737SS**  trans-62.5104.8174.5179.90000108.8P699 P703P699-V701 PolarHBondContact O-N 2.85Å; V701-P703 WeakPolarHBondContact O-CD 3.48Å
702S29.1Very low29.2Very low99 Ų99131.4 Ų131.469%0.69274%0.74SS**  trans-56.7120.7172-59.90000109.5P700 T704P700-S702 PolarHBondContact O-N 2.95Å; S702-T704 PolarHBondContact O-N 3.19Å
703P28.6Very low29.5Very low108 Ų108134.4 Ų134.470%0.70175%0.747SS**  trans-57.4128.9176.8-25.735.5000110.4V701 S705V701-P703 WeakPolarHBondContact O-CD 3.48Å; P703-S705 PolarHBondContact O-N 3.33Å; P703-S705 PolarHBondContact O-OG 2.94Å
704T28.2Very low29.6Very low92 Ų92128.2 Ų128.256%0.56474%0.736SS**  trans-75.881.6173.3-63.70000108.3S702 Y706S702-T704 PolarHBondContact O-N 3.19Å; T704-Y706 VanDerWaalsContact C-N 3.27Å; T704-Y706 HydrophobicContact CG2-CD2 3.84Å; T704-Y706 HydrophobicContact CG2-CE2 4.32Å; T704-Y706 PolarHBondContact O-N 3.36Å
705S26.4Very low29.4Very low101 Ų101127.3 Ų127.371%0.70674%0.74SS**  trans-7572.6-176.1-61.70000112.3P703P703-S705 PolarHBondContact O-N 3.33Å; P703-S705 PolarHBondContact O-OG 2.94Å
706Y29.8Very low29.4Very low206 Ų206126 Ų12681%0.80873%0.73SS**  trans-102.8112.7158.6-75.2-72.6000108.6T704T704-Y706 VanDerWaalsContact C-N 3.27Å; T704-Y706 HydrophobicContact CG2-CD2 3.84Å; T704-Y706 HydrophobicContact CG2-CE2 4.32Å; T704-Y706 PolarHBondContact O-N 3.36Å
707F29.5Very low29.8Very low190 Ų190123.5 Ų123.583%0.83373%0.726SS**PPolyproline II helixtrans-67.7155179.1-118.2-98.8000111.4
708T28.8Very low30.6Very low126 Ų126120.1 Ų120.177%0.77371%0.712SS**PPolyproline II helixtrans-66146.3-177.243.60000113
709S30.1Very low32.4Very low115 Ų115115.9 Ų115.980%0.80468%0.682SS**PPolyproline II helixtrans-57.2141.717152.20000113.1
710A30.5Very low34.8Very low82 Ų82113.4 Ų113.468%0.67866%0.663SS**PPolyproline II helixtrans-53.6151.9171.800000113.1
711G29.7Very low37.6Very low75 Ų75109 Ų10977%0.77363%0.634SS**SBendtrans-171.6-18.7-171.900000116.1
712Q28Very low40.7Very low191 Ų191103 Ų10389%0.89360%0.597SS**SBendtrans-131.2126.9150.6-74.8-169.8-2.700106.4
713Q33Very low43.7Very low169 Ų16999.4 Ų99.479%0.7957%0.571SS**SBendtrans62.5118.9-152.5-65.6170.4-9.600109.8
714A28.9Very low46.8Very low66 Ų6694.3 Ų94.355%0.54554%0.537SS..  75.8137.37000000110.5
715Q26Very low49.7Very low177 Ų17795.4 Ų95.483%0.82753%0.531SS*.  48.3116.975.1-116.7-166.57.200109.9
716V29.9Very low52.5Low84 Ų8491.9 Ų91.951%0.50951%0.51SS..  cis-148.7-173.120.2-145.70000109.1G718V716-G718 PolarHBondContact O-N 3.17Å
717Q37.1Very low55.3Low152 Ų15282.1 Ų82.171%0.7147%0.472SS*.  trans41.779.3147.2-67.1153.9-40.300115.9S719 I799Q717-S719 WeakPolarHBondContact O-CA 3.05Å; Q717-S719 PolarHBondContact O-N 3.39Å; Q717-S719 VanDerWaalsContact O-N 3.16Å; Q717-I799 VanDerWaalsContact O-CD1 3.23Å; Q717-I799 WeakPolarHBondContact O-CD1 3.5Å
718G49.9Very low57.9Low42 Ų4273.8 Ų73.843%0.43344%0.437SS..  trans-51.5122.6178.400000111.7V716 R772V716-G718 PolarHBondContact O-N 3.17Å; G718-R772 WeakPolarHBondContact O-CD 3.45Å; G718-R772 PolarHBondContact O-NH1 3.45Å
719S64.7Low60.4Low8 Ų872.7 Ų72.76%0.05643%0.426CS..  trans-60.4154.6-139.886.50000117.2Q717 T721 C797Q717-S719 WeakPolarHBondContact O-CA 3.05Å; Q717-S719 PolarHBondContact O-N 3.39Å; Q717-S719 VanDerWaalsContact O-N 3.16Å; S719-T721 PolarHBondContact OG-N 3.22Å; S719-T721 VanDerWaalsContact OG-N 3.09Å; S719-T721 PolarHBondContact OG-O 3.38Å; S719-C797 WeakPolarHBondContact CB-O 3.44Å; S719-C797 WeakPolarHBondContact OG-CB 3.41Å; S719-C797 PolarHBondContact OG-O 3.37Å
720N85.1Confident63.1Low51 Ų5173.3 Ų73.327%0.27342%0.42SS..  trans-81.83.8165.7-45.40.4000112.2F769 P770 A775N720-F769 WeakPolarHBondContact CB-O 3.34Å; N720-F769 PolarHBondContact ND2-O 3.47Å; N720-F769 WeakPolarHBondContact O-CB 3.42Å; N720-F769 PolarHBondContact O-N 2.86Å; N720-P770 PolarHBondContact ND2-O 3.03Å; N720-P770 VanDerWaalsContact ND2-O 3.08Å; N720-A775 WeakPolarHBondContact O-CB 3.41Å
721T89.3Confident65.6Low29 Ų2969.5 Ų69.518%0.17839%0.389CS..EExtended strand (participates in β ladder)trans-98.1122.1-167.1-51.10000109.6S719 L766 V767 C797S719-T721 PolarHBondContact OG-N 3.22Å; S719-T721 VanDerWaalsContact OG-N 3.09Å; S719-T721 PolarHBondContact OG-O 3.38Å; T721-L766 HydrophobicContact CG2-CB 3.7Å; T721-L766 HydrophobicContact CG2-CD1 4.39Å; T721-L766 HydrophobicContact CG2-CD2 3.95Å; T721-L766 HydrophobicContact CG2-CG 4.21Å; T721-V767 WeakPolarHBondContact CA-O 3.4Å; T721-C797 WeakPolarHBondContact O-CB 3.3Å; T721-C797 PolarHBondContact O-N 2.65Å
722V91.8Very high68.4Low0 Ų069.2 Ų69.20%037%0.372CS..EExtended strand (participates in β ladder)trans-96121.7172-1750000108.5L724 V767 F769 A775 V779 L794 Y795 L796V722-L724 HydrophobicContact CB-CD1 4.48Å; V722-L724 HydrophobicContact CG1-CD1 4.27Å; V722-L724 WeakPolarHBondContact O-CD1 3.37Å; V722-L724 PolarHBondContact O-N 2.83Å; V722-V767 PolarHBondContact N-O 2.83Å; V722-V767 PolarHBondContact O-N 2.98Å; V722-F769 HydrophobicContact CB-CD2 4.34Å; V722-F769 HydrophobicContact CB-CE2 3.87Å; V722-F769 HydrophobicContact CG2-CD2 3.69Å; V722-F769 HydrophobicContact CG2-CE2 3.45Å; V722-F769 VanDerWaalsContact CG2-CE2 3.45Å; V722-F769 HydrophobicContact CG2-CZ 4.38Å; V722-A775 HydrophobicContact CG2-CB 3.69Å; V722-V779 HydrophobicContact CG1-CG2 3.8Å; V722-V779 HydrophobicContact CG2-CG2 4Å; V722-L794 HydrophobicContact CG1-CB 3.83Å; V722-L794 HydrophobicContact CG1-CD2 3.92Å; V722-L794 HydrophobicContact CG1-CG 4.31Å; V722-Y795 CarbonylContact C-O 3.59Å; V722-Y795 WeakPolarHBondContact CA-O 3.39Å; V722-L796 HydrophobicContact CG2-CD1 4.39Å
723L92.6Very high71.3Confident24 Ų2461.3 Ų61.313%0.12634%0.34CS..EExtended strand (participates in β ladder)trans-77.3111163.9171.766.7000108.6R725 D764 A765 L766 Y795L723-R725 HydrophobicContact CD1-CG 4.37Å; L723-R725 HydrophobicContact CD2-CG 4.05Å; L723-R725 HydrophobicContact CG-CG 3.95Å; L723-D764 HydrophobicContact CD1-CB 3.89Å; L723-A765 WeakPolarHBondContact CA-O 3.38Å; L723-L766 HydrophobicContact CB-CD2 4.03Å; L723-L766 HydrophobicContact CD1-CD2 3.96Å; L723-Y795 HydrophobicContact CD2-CD2 4.44Å; L723-Y795 PolarHBondContact N-O 2.62Å; L723-Y795 PolarHBondContact O-N 2.89Å
724L94.1Very high74.1Confident0 Ų056.9 Ų56.90%032%0.324CS..EExtended strand (participates in β ladder)trans-78.3128.7163.1-73.566.2000107.9V722 L727 V736 F740 D764 A765 V767 M787 I792 L794V722-L724 HydrophobicContact CB-CD1 4.48Å; V722-L724 HydrophobicContact CG1-CD1 4.27Å; V722-L724 WeakPolarHBondContact O-CD1 3.37Å; V722-L724 PolarHBondContact O-N 2.83Å; L724-L727 HydrophobicContact CB-CG 4.41Å; L724-L727 HydrophobicContact CD2-CD2 3.95Å; L724-V736 HydrophobicContact CD2-CG1 3.7Å; L724-F740 HydrophobicContact CD1-CE2 3.91Å; L724-F740 HydrophobicContact CD1-CZ 3.88Å; L724-F740 HydrophobicContact CD2-CE2 3.87Å; L724-F740 HydrophobicContact CD2-CZ 4.21Å; L724-F740 HydrophobicContact CG-CE2 4.28Å; L724-F740 HydrophobicContact CG-CZ 4.21Å; L724-D764 CarbonylContact O-C 3.56Å; L724-D764 VanDerWaalsContact O-CA 3.27Å; L724-D764 WeakPolarHBondContact O-CA 3.22Å; L724-A765 HydrophobicContact CB-CB 4.45Å; L724-A765 PolarHBondContact N-O 2.84Å; L724-A765 PolarHBondContact O-N 3Å; L724-V767 HydrophobicContact CD1-CB 3.93Å; L724-V767 HydrophobicContact CD1-CG2 3.58Å; L724-V767 HydrophobicContact CD2-CG2 4.37Å; L724-M787 HydrophobicContact CD2-CE 4.36Å; L724-I792 HydrophobicContact CB-CG2 3.84Å; L724-I792 HydrophobicContact CD2-CG2 4.22Å; L724-I792 HydrophobicContact CG-CG2 3.93Å; L724-L794 HydrophobicContact CB-CD2 4.26Å; L724-L794 HydrophobicContact CD1-CD2 3.97Å; L724-L794 HydrophobicContact CG-CD2 3.57Å
725R89.4Confident77Confident116 Ų11656.8 Ų56.844%0.43832%0.315SS..EExtended strand (participates in β ladder)trans-116.6144.7166.9-72.5-141.8143.3130.74.2111.5L723 D764 I792 D793 Y795L723-R725 HydrophobicContact CD1-CG 4.37Å; L723-R725 HydrophobicContact CD2-CG 4.05Å; L723-R725 HydrophobicContact CG-CG 3.95Å; R725-D764 WeakPolarHBondContact CD-OD1 3.42Å; R725-D764 WeakPolarHBondContact CG-OD1 3.4Å; R725-D764 IonicContact CZ-OD1 3.52Å; R725-D764 IonicContact CZ-OD2 2.8Å; R725-D764 VanDerWaalsContact CZ-OD2 3.27Å; R725-D764 VanDerWaalsContact NE-CG 3.27Å; R725-D764 IonicContact NE-OD1 3.24Å; R725-D764 PolarHBondContact NE-OD1 3.19Å; R725-D764 IonicContact NE-OD2 2.66Å; R725-D764 PolarHBondContact NE-OD2 3.49Å; R725-D764 IonicContact NH2-OD2 3.36Å; R725-D764 PolarHBondContact NH2-OD2 2.81Å; R725-I792 WeakPolarHBondContact O-CA 3.47Å; R725-D793 PolarHBondContact N-O 3.27Å; R725-D793 PolarHBondContact O-N 2.98Å; R725-D793 VanDerWaalsContact O-N 3.12Å; R725-Y795 HydrophobicContact CB-CE2 4.11Å; R725-Y795 HydrophobicContact CG-CD2 4.13Å; R725-Y795 HydrophobicContact CG-CE2 3.94Å
726G85.2Confident80.1Confident26 Ų2648.4 Ų48.427%0.26828%0.275SS..SBendtrans93.615.417500000114.9G763 R790 I792G726-G763 PolarHBondContact N-O 2.75Å; G726-R790 WeakPolarHBondContact O-CB 3.33Å; G726-R790 WeakPolarHBondContact O-CD 3.26Å; G726-I792 WeakPolarHBondContact O-CD1 3.3Å
727L87.2Confident82.9Confident1 Ų146.2 Ų46.21%0.00526%0.261CS..  trans-54.4143.7177-71.6177.2000112.5L724 V736 I753 G763 A765 M787 I792L724-L727 HydrophobicContact CB-CG 4.41Å; L724-L727 HydrophobicContact CD2-CD2 3.95Å; L727-V736 HydrophobicContact CD1-CG2 4.26Å; L727-V736 HydrophobicContact CD2-CG2 4.13Å; L727-I753 HydrophobicContact CD1-CG2 4.23Å; L727-G763 WeakPolarHBondContact CB-O 3.45Å; L727-G763 PolarHBondContact N-O 2.97Å; L727-A765 HydrophobicContact CD1-CB 3.39Å; L727-M787 HydrophobicContact CD2-CE 3.35Å; L727-M787 HydrophobicContact CD2-SD 3.47Å; L727-M787 WeakPolarHBondContact CD2-SD 3.48Å; L727-I792 HydrophobicContact CD2-CD1 4.08Å
728P83.7Confident85.4Confident16 Ų1642.8 Ų42.810%0.10425%0.247CC..  trans-55.2138.7164.3-22.832.4000111.4N730 A731P728-N730 WeakPolarHBondContact CB-OD1 3.44Å; P728-N730 PolarHBondContact O-N 3.36Å; P728-A731 HydrophobicContact CB-CB 4.14Å; P728-A731 HydrophobicContact CG-CB 4.35Å; P728-A731 VanDerWaalsContact O-CB 3.27Å; P728-A731 WeakPolarHBondContact O-CB 3.4Å; P728-A731 PolarHBondContact O-N 3.42Å
729L82.7Confident87.3Confident102 Ų10241.6 Ų41.653%0.53423%0.23SC..THydrogen-bonded Turntrans-66.2-8.5-178.9-62.4176.5000113.9M761L729-M761 VanDerWaalsContact CD2-O 3.23Å; L729-M761 WeakPolarHBondContact CD2-O 3.41Å
730N85.8Confident88.5Confident128 Ų12841.4 Ų41.468%0.68423%0.228SC*.THydrogen-bonded Turntrans-110.74.3175.466.6-61000113.3P728 T732P728-N730 WeakPolarHBondContact CB-OD1 3.44Å; P728-N730 PolarHBondContact O-N 3.36Å; N730-T732 PolarHBondContact O-N 2.97Å
731A84.3Confident88.5Confident3 Ų344.8 Ų44.83%0.02524%0.242CC..  trans-67.8126.3-179.500000111P728 D735 I753 M761 M787P728-A731 HydrophobicContact CB-CB 4.14Å; P728-A731 HydrophobicContact CG-CB 4.35Å; P728-A731 VanDerWaalsContact O-CB 3.27Å; P728-A731 WeakPolarHBondContact O-CB 3.4Å; P728-A731 PolarHBondContact O-N 3.42Å; A731-D735 HydrophobicContact CB-CB 4.4Å; A731-I753 VanDerWaalsContact O-CD1 3.3Å; A731-I753 WeakPolarHBondContact O-CD1 3.42Å; A731-M761 WeakPolarHBondContact O-CE 3.39Å; A731-M787 HydrophobicContact CB-SD 4.14Å
732T88.4Confident88.2Confident68 Ų6845.5 Ų45.542%0.41726%0.256SS..  trans-86166.4174680000110.9N730 T734 D735 V736N730-T732 PolarHBondContact O-N 2.97Å; T732-T734 PolarHBondContact O-N 3.02Å; T732-T734 WeakPolarHBondContact OG1-CB 3.43Å; T732-T734 PolarHBondContact OG1-N 3.17Å; T732-D735 WeakPolarHBondContact CB-OD2 3.49Å; T732-D735 PolarHBondContact N-OD2 3.38Å; T732-D735 PolarHBondContact O-N 3.42Å; T732-D735 VanDerWaalsContact OG1-CG 3.31Å; T732-D735 PolarHBondContact OG1-N 3.5Å; T732-D735 PolarHBondContact OG1-OD2 2.84Å; T732-V736 PolarHBondContact O-N 2.98Å
733A89.1Confident87.9Confident26 Ų2646.8 Ų46.822%0.21526%0.261CS..Hα-helixtrans-58.1-31.517100000111.8V736 L737 L748 V751A733-V736 PolarHBondContact O-N 3.2Å; A733-L737 WeakPolarHBondContact O-CG 3.45Å; A733-L737 PolarHBondContact O-N 2.62Å; A733-L748 HydrophobicContact CB-CD2 3.71Å; A733-V751 HydrophobicContact CB-CB 4.16Å; A733-V751 HydrophobicContact CB-CG1 4.13Å
734T90.9Very high87.4Confident76 Ų7649.7 Ų49.747%0.46628%0.281SS..Hα-helixtrans-63.1-37.9173.2-40.60000112.7T732 L737 N738T732-T734 PolarHBondContact O-N 3.02Å; T732-T734 WeakPolarHBondContact OG1-CB 3.43Å; T732-T734 PolarHBondContact OG1-N 3.17Å; T734-L737 PolarHBondContact O-N 3.47Å; T734-N738 WeakPolarHBondContact O-CB 3.4Å; T734-N738 PolarHBondContact O-N 3.05Å; T734-N738 PolarHBondContact O-ND2 3.43Å; T734-N738 VanDerWaalsContact O-ND2 3.15Å
735D89.7Confident86.6Confident64 Ų6453.2 Ų53.234%0.34230%0.298SS..Hα-helixtrans-70-35.6177.4-59-58.2000111.7A731 T732 N738 F739 M787A731-D735 HydrophobicContact CB-CB 4.4Å; T732-D735 WeakPolarHBondContact CB-OD2 3.49Å; T732-D735 PolarHBondContact N-OD2 3.38Å; T732-D735 PolarHBondContact O-N 3.42Å; T732-D735 VanDerWaalsContact OG1-CG 3.31Å; T732-D735 PolarHBondContact OG1-N 3.5Å; T732-D735 PolarHBondContact OG1-OD2 2.84Å; D735-N738 PolarHBondContact O-N 2.83Å; D735-F739 PolarHBondContact O-N 2.75Å; D735-M787 HydrophobicContact CB-SD 4.44Å
736V90.7Very high86.4Confident0 Ų048.5 Ų48.50%028%0.281CS..Hα-helixtrans-66-42.8173-179.60000111.4L724 L727 T732 A733 N738 F739 F740 V751 I753 V767 M787L724-V736 HydrophobicContact CD2-CG1 3.7Å; L727-V736 HydrophobicContact CD1-CG2 4.26Å; L727-V736 HydrophobicContact CD2-CG2 4.13Å; T732-V736 PolarHBondContact O-N 2.98Å; A733-V736 PolarHBondContact O-N 3.2Å; V736-N738 VanDerWaalsContact C-N 3.35Å; V736-N738 PolarHBondContact O-N 2.88Å; V736-F739 WeakPolarHBondContact O-CB 3.47Å; V736-F739 PolarHBondContact O-N 2.86Å; V736-F740 HydrophobicContact CG1-CD2 4.22Å; V736-F740 HydrophobicContact CG1-CE2 4.07Å; V736-F740 WeakPolarHBondContact O-CD2 3.38Å; V736-F740 PolarHBondContact O-N 3.12Å; V736-V751 HydrophobicContact CB-CG1 3.76Å; V736-V751 HydrophobicContact CB-CG2 4.36Å; V736-V751 HydrophobicContact CG1-CG1 3.7Å; V736-V751 HydrophobicContact CG1-CG2 4.04Å; V736-V751 HydrophobicContact CG2-CG1 3.97Å; V736-I753 HydrophobicContact CG2-CD1 4.22Å; V736-V767 HydrophobicContact CG1-CG2 3.56Å; V736-M787 HydrophobicContact CB-CE 4.41Å; V736-M787 HydrophobicContact CG2-CE 4.12Å
737L89.8Confident86.6Confident39 Ų3950.6 Ų50.620%0.20429%0.289CS..Hα-helixtrans-62.3-40.8172.9-71.4175.9000112.2A733 T734 F739 F740 Q741 L746 L748 V751A733-L737 WeakPolarHBondContact O-CG 3.45Å; A733-L737 PolarHBondContact O-N 2.62Å; T734-L737 PolarHBondContact O-N 3.47Å; L737-F739 VanDerWaalsContact C-N 3.28Å; L737-F739 PolarHBondContact O-N 3.1Å; L737-F740 CarbonylContact O-C 3.58Å; L737-F740 PolarHBondContact O-N 2.85Å; L737-F740 VanDerWaalsContact O-N 3.1Å; L737-Q741 PolarHBondContact O-N 3.05Å; L737-L746 HydrophobicContact CD2-CB 3.64Å; L737-L748 HydrophobicContact CD1-CD2 3.64Å; L737-L748 HydrophobicContact CD1-CG 3.84Å; L737-V751 HydrophobicContact CD2-CG2 4.05Å; L737-V751 HydrophobicContact CG-CG2 4.2Å
738N90Very high86.5Confident80 Ų8055.1 Ų55.143%0.42831%0.312SS..Hα-helixtrans-61.6-35.1175.6-80.8-42000112.7T734 D735 V736 F740 Q741T734-N738 WeakPolarHBondContact O-CB 3.4Å; T734-N738 PolarHBondContact O-N 3.05Å; T734-N738 PolarHBondContact O-ND2 3.43Å; T734-N738 VanDerWaalsContact O-ND2 3.15Å; D735-N738 PolarHBondContact O-N 2.83Å; V736-N738 VanDerWaalsContact C-N 3.35Å; V736-N738 PolarHBondContact O-N 2.88Å; N738-F740 VanDerWaalsContact C-N 3.29Å; N738-F740 PolarHBondContact O-N 2.8Å; N738-Q741 WeakPolarHBondContact O-CB 3.18Å; N738-Q741 WeakPolarHBondContact O-CG 3.34Å; N738-Q741 PolarHBondContact O-N 3.35Å; N738-Q741 PolarHBondContact OD1-NE2 2.83Å
739F89.9Confident86.6Confident16 Ų1661.4 Ų61.47%0.0735%0.345CS..Hα-helixtrans-67.9-27175-179.8-98.2000113.3D735 V736 L737 R782 Q785 M787 I792 L794D735-F739 PolarHBondContact O-N 2.75Å; V736-F739 WeakPolarHBondContact O-CB 3.47Å; V736-F739 PolarHBondContact O-N 2.86Å; L737-F739 VanDerWaalsContact C-N 3.28Å; L737-F739 PolarHBondContact O-N 3.1Å; F739-R782 HydrophobicContact CE1-CB 4.03Å; F739-R782 HydrophobicContact CZ-CB 4.26Å; F739-R782 WeakPolarHBondContact CZ-O 3.4Å; F739-R782 PolarHBondContact O-NH1 3.23Å; F739-Q785 HydrophobicContact CE2-CB 3.72Å; F739-Q785 WeakPolarHBondContact CE2-O 3.41Å; F739-Q785 HydrophobicContact CZ-CB 3.9Å; F739-M787 HydrophobicContact CB-CE 3.49Å; F739-M787 VanDerWaalsContact CB-CE 3.49Å; F739-M787 HydrophobicContact CB-CG 4.46Å; F739-M787 HydrophobicContact CD1-CE 4.16Å; F739-M787 HydrophobicContact CD2-CB 3.8Å; F739-M787 HydrophobicContact CD2-CE 4.19Å; F739-M787 HydrophobicContact CD2-CG 4.35Å; F739-M787 HydrophobicContact CE2-CB 4.22Å; F739-M787 HydrophobicContact CG-CB 4.47Å; F739-M787 HydrophobicContact CG-CE 3.71Å; F739-I792 HydrophobicContact CE1-CB 4.27Å; F739-I792 HydrophobicContact CE1-CG2 4.4Å; F739-I792 HydrophobicContact CE2-CB 4.31Å; F739-I792 HydrophobicContact CE2-CG1 4.06Å; F739-I792 HydrophobicContact CZ-CB 3.78Å; F739-I792 HydrophobicContact CZ-CG1 4.02Å; F739-I792 HydrophobicContact CZ-CG2 4.4Å; F739-L794 HydrophobicContact CE1-CD1 4.41Å; F739-L794 HydrophobicContact CE1-CD2 4.4Å
740F89.9Confident86.8Confident4 Ų457.6 Ų57.62%0.01833%0.327CS..THydrogen-bonded Turntrans-98.826.4172.4-63.3-65.9000114L724 V736 L737 N738 G742 Y743 L746 V767 F769 A778 R782 L794L724-F740 HydrophobicContact CD1-CE2 3.91Å; L724-F740 HydrophobicContact CD1-CZ 3.88Å; L724-F740 HydrophobicContact CD2-CE2 3.87Å; L724-F740 HydrophobicContact CD2-CZ 4.21Å; L724-F740 HydrophobicContact CG-CE2 4.28Å; L724-F740 HydrophobicContact CG-CZ 4.21Å; V736-F740 HydrophobicContact CG1-CD2 4.22Å; V736-F740 HydrophobicContact CG1-CE2 4.07Å; V736-F740 WeakPolarHBondContact O-CD2 3.38Å; V736-F740 PolarHBondContact O-N 3.12Å; L737-F740 CarbonylContact O-C 3.58Å; L737-F740 PolarHBondContact O-N 2.85Å; L737-F740 VanDerWaalsContact O-N 3.1Å; N738-F740 VanDerWaalsContact C-N 3.29Å; N738-F740 PolarHBondContact O-N 2.8Å; F740-G742 PolarHBondContact O-N 2.83Å; F740-Y743 HydrophobicContact CB-CD2 4.26Å; F740-Y743 PolarHBondContact O-N 2.86Å; F740-L746 HydrophobicContact CB-CD1 3.56Å; F740-L746 HydrophobicContact CD2-CD1 4.05Å; F740-L746 HydrophobicContact CG-CD1 3.91Å; F740-V767 HydrophobicContact CD2-CG1 4.43Å; F740-V767 HydrophobicContact CE2-CB 4.32Å; F740-V767 HydrophobicContact CE2-CG1 4.26Å; F740-V767 HydrophobicContact CE2-CG2 4.02Å; F740-F769 AromaticContact CD1-CZ 3.95Å; F740-F769 HydrophobicContact CD1-CZ 3.95Å; F740-F769 AromaticContact CE1-CZ 3.89Å; F740-F769 HydrophobicContact CE1-CZ 3.89Å; F740-F769 HydrophobicContact CE2-CZ 4.47Å; F740-F769 HydrophobicContact CG-CZ 4.3Å; F740-F769 HydrophobicContact CZ-CZ 4.16Å; F740-A778 HydrophobicContact CD1-CB 4.37Å; F740-A778 HydrophobicContact CE1-CB 4.02Å; F740-R782 HydrophobicContact CD1-CG 4.12Å; F740-R782 HydrophobicContact CE1-CB 4.15Å; F740-R782 HydrophobicContact CE1-CG 4.19Å; F740-L794 HydrophobicContact CE1-CD1 4.12Å; F740-L794 HydrophobicContact CZ-CD1 4.34Å; F740-L794 HydrophobicContact CZ-CD2 4.17Å
741Q84.4Confident87Confident122 Ų12252.2 Ų52.257%0.5730%0.299SS*.THydrogen-bonded Turntrans-49.7117.3167.9-85.3173.722.300110.9L737 N738 R782L737-Q741 PolarHBondContact O-N 3.05Å; N738-Q741 WeakPolarHBondContact O-CB 3.18Å; N738-Q741 WeakPolarHBondContact O-CG 3.34Å; N738-Q741 PolarHBondContact O-N 3.35Å; N738-Q741 PolarHBondContact OD1-NE2 2.83Å; Q741-R782 VanDerWaalsContact O-CZ 3.3Å; Q741-R782 PolarHBondContact O-NH1 3.12Å; Q741-R782 PolarHBondContact O-NH2 2.79Å
742G83Confident87.3Confident45 Ų4557.7 Ų57.746%0.46432%0.324SS..THydrogen-bonded Turntrans121.3-18-170.100000114.2F740 P744F740-G742 PolarHBondContact O-N 2.83Å; G742-P744 WeakPolarHBondContact O-CD 3.37Å
743Y86Confident87.3Confident27 Ų2756 Ų5611%0.10631%0.312CS..  trans-108.181.7177.3-66.4-95.1000110.1F740 E745 L746 F769 D774 R777 A778 E781F740-Y743 HydrophobicContact CB-CD2 4.26Å; F740-Y743 PolarHBondContact O-N 2.86Å; Y743-E745 PolarHBondContact O-N 3.13Å; Y743-E745 VanDerWaalsContact O-N 3.14Å; Y743-L746 PolarHBondContact O-N 2.98Å; Y743-F769 HydrophobicContact CD1-CD1 4.08Å; Y743-F769 AromaticContact CD1-CE1 3.69Å; Y743-F769 HydrophobicContact CD1-CE1 3.69Å; Y743-F769 HydrophobicContact CE1-CE1 4.06Å; Y743-F769 HydrophobicContact CG-CE1 4.02Å; Y743-D774 HydrophobicContact CD1-CB 4.08Å; Y743-D774 HydrophobicContact CE1-CB 3.97Å; Y743-R777 WeakPolarHBondContact OH-CB 3.46Å; Y743-A778 HydrophobicContact CE1-CB 4.36Å; Y743-A778 PolarHBondContact OH-N 3.29Å; Y743-E781 VanDerWaalsContact OH-CD 3.28Å; Y743-E781 PolarHBondContact OH-OE2 3.15Å
744P80.6Confident87.1Confident84 Ų8458.1 Ų58.155%0.54532%0.317SS..THydrogen-bonded Turntrans-70.6-10.4-166.529.9-38.1000115.2Y629 G742Y629-P744 HydrophobicContact CE1-CB 4.35Å; G742-P744 WeakPolarHBondContact O-CD 3.37Å
745E78.6Confident86.7Confident74 Ų7462 Ų6235%0.34632%0.324SS..THydrogen-bonded Turntrans-89.8-4.8179.3-61.7-167.6171.600113.5Y743 P770Y743-E745 PolarHBondContact O-N 3.13Å; Y743-E745 VanDerWaalsContact O-N 3.14Å; E745-P770 HydrophobicContact CB-CG 3.48Å; E745-P770 VanDerWaalsContact CB-CG 3.48Å; E745-P770 HydrophobicContact CG-CG 4.39Å; E745-P770 VanDerWaalsContact OE2-CB 3.28Å; E745-P770 WeakPolarHBondContact OE2-CB 3.23Å; E745-P770 WeakPolarHBondContact OE2-CG 3.5Å
746L85.4Confident85.9Confident17 Ų1760.5 Ų60.59%0.08932%0.319CS..  trans-77.8127.7173.7-65.6177.2000110.9L737 F740 Y743 V767 F769L737-L746 HydrophobicContact CD2-CB 3.64Å; F740-L746 HydrophobicContact CB-CD1 3.56Å; F740-L746 HydrophobicContact CD2-CD1 4.05Å; F740-L746 HydrophobicContact CG-CD1 3.91Å; Y743-L746 PolarHBondContact O-N 2.98Å; L746-V767 HydrophobicContact CD1-CG1 4.05Å; L746-V767 HydrophobicContact CD2-CG1 3.76Å; L746-F769 HydrophobicContact CD1-CD1 4.4Å; L746-F769 HydrophobicContact CD1-CE1 3.86Å; L746-F769 HydrophobicContact CD1-CZ 4.04Å; L746-F769 HydrophobicContact CD2-CD1 4.1Å; L746-F769 HydrophobicContact CD2-CE1 4.35Å; L746-F769 HydrophobicContact CD2-CG 4.22Å; L746-F769 HydrophobicContact CG-CE1 4.45Å
747T87.6Confident85.2Confident70 Ų7067.6 Ų67.643%0.42937%0.366SS..  trans-114172.8177.370.60000111.2D749 S750T747-D749 PolarHBondContact O-N 2.88Å; T747-D749 PolarHBondContact OG1-N 3.31Å; T747-S750 PolarHBondContact N-OG 3.32Å; T747-S750 VanDerWaalsContact O-CB 3.26Å; T747-S750 WeakPolarHBondContact O-CB 3.38Å; T747-S750 PolarHBondContact O-N 3.36Å; T747-S750 PolarHBondContact OG1-OG 3.19Å
748L85.9Confident84.6Confident96 Ų9669.4 Ų69.450%0.50338%0.382SS..G310 helixtrans-59.3-31.5175.5-73.6167.1000112.1A733 L737 S750 V751A733-L748 HydrophobicContact CB-CD2 3.71Å; L737-L748 HydrophobicContact CD1-CD2 3.64Å; L737-L748 HydrophobicContact CD1-CG 3.84Å; L748-S750 VanDerWaalsContact C-N 3.31Å; L748-V751 PolarHBondContact O-N 2.97Å
749D86.2Confident83.9Confident149 Ų14967.8 Ų67.880%0.79738%0.383SS*.G310 helixtrans-74.8-20.2177.7-54.5-46.6000112.7T747 V751T747-D749 PolarHBondContact O-N 2.88Å; T747-D749 PolarHBondContact OG1-N 3.31Å; D749-V751 PolarHBondContact O-N 2.98Å
750S86.8Confident83.1Confident22 Ų2273.2 Ų73.215%0.15441%0.409CS..G310 helixtrans-70.6-12.9173-52.10000113.4T747 L748 V767 S768T747-S750 PolarHBondContact N-OG 3.32Å; T747-S750 VanDerWaalsContact O-CB 3.26Å; T747-S750 WeakPolarHBondContact O-CB 3.38Å; T747-S750 PolarHBondContact O-N 3.36Å; T747-S750 PolarHBondContact OG1-OG 3.19Å; L748-S750 VanDerWaalsContact C-N 3.31Å; S750-V767 WeakPolarHBondContact O-CA 3.29Å; S750-S768 PolarHBondContact O-N 2.95Å
751V90.5Very high82.5Confident14 Ų1474.6 Ų74.69%0.08542%0.416CS..EExtended strand (participates in β ladder)trans-111.7105.1-171.3-176.70000111.8A733 V736 L737 L748 D749 I753 V767A733-V751 HydrophobicContact CB-CB 4.16Å; A733-V751 HydrophobicContact CB-CG1 4.13Å; V736-V751 HydrophobicContact CB-CG1 3.76Å; V736-V751 HydrophobicContact CB-CG2 4.36Å; V736-V751 HydrophobicContact CG1-CG1 3.7Å; V736-V751 HydrophobicContact CG1-CG2 4.04Å; V736-V751 HydrophobicContact CG2-CG1 3.97Å; L737-V751 HydrophobicContact CD2-CG2 4.05Å; L737-V751 HydrophobicContact CG-CG2 4.2Å; L748-V751 PolarHBondContact O-N 2.97Å; D749-V751 PolarHBondContact O-N 2.98Å; V751-I753 HydrophobicContact CG1-CG1 4Å; V751-V767 HydrophobicContact CG1-CG2 4.27Å; V751-V767 HydrophobicContact CG2-CG2 4.16Å
752Q89.3Confident82.3Confident119 Ų11972 Ų7256%0.55641%0.408SS*.EExtended strand (participates in β ladder)trans-104.593.7175.2-63.3-172.18.900111H754 A765 L766Q752-H754 PolarHBondContact O-N 3.03Å; Q752-A765 CarbonylContact O-C 3.6Å; Q752-A765 WeakPolarHBondContact O-CA 3.4Å; Q752-L766 HydrophobicContact CB-CB 4.45Å; Q752-L766 PolarHBondContact N-O 2.82Å; Q752-L766 PolarHBondContact O-N 2.81Å
753I88.6Confident82.3Confident32 Ų3270.1 Ų70.116%0.16439%0.39CS..EExtended strand (participates in β ladder)trans-74.3118.3174.3-48.9-179.4000109.7L727 A731 V736 V751 R755 M761 A765L727-I753 HydrophobicContact CD1-CG2 4.23Å; A731-I753 VanDerWaalsContact O-CD1 3.3Å; A731-I753 WeakPolarHBondContact O-CD1 3.42Å; V736-I753 HydrophobicContact CG2-CD1 4.22Å; V751-I753 HydrophobicContact CG1-CG1 4Å; I753-R755 PolarHBondContact O-N 2.83Å; I753-M761 HydrophobicContact CB-CE 4.35Å; I753-M761 HydrophobicContact CD1-CE 3.99Å; I753-M761 HydrophobicContact CG2-CE 3.7Å; I753-A765 HydrophobicContact CB-CB 4.24Å; I753-A765 HydrophobicContact CG1-CB 4.04Å; I753-A765 HydrophobicContact CG2-CB 4.35Å
754H84.1Confident82.5Confident71 Ų7170 Ų7033%0.32939%0.391SS..EExtended strand (participates in β ladder)trans-68.1132.4-178.1-77.9170.7000111.3Q752 T762 D764 L766Q752-H754 PolarHBondContact O-N 3.03Å; H754-T762 HydrophobicContact CB-CG2 4.29Å; H754-T762 WeakPolarHBondContact CB-OG1 3.42Å; H754-T762 PolarHBondContact O-N 3.07Å; H754-T762 PolarHBondContact O-OG1 3.5Å; H754-D764 HydrophobicContact CB-CB 4.17Å; H754-D764 WeakPolarHBondContact CB-O 3.24Å; H754-D764 PolarHBondContact N-O 2.94Å; H754-L766 WeakPolarHBondContact NE2-CD1 3.3Å
755R82.7Confident83.1Confident158 Ų15866 Ų6660%0.59637%0.365SS*.EExtended strand (participates in β ladder)trans-117.8134.8173.9-61.8179.1-173.7-111.40.7109.3I753 Q760 M761I753-R755 PolarHBondContact O-N 2.83Å; R755-Q760 CarbonylContact C-O 3.54Å; R755-Q760 VanDerWaalsContact CA-O 3.28Å; R755-Q760 WeakPolarHBondContact CA-O 3.38Å; R755-M761 HydrophobicContact CG-CG 4.08Å
756A74.5Confident83.7Confident31 Ų3164.4 Ų64.426%0.25636%0.358SS..  trans-65.5161.2172.900000110.2S758 G759 Q760 T762A756-S758 PolarHBondContact O-N 3.23Å; A756-G759 PolarHBondContact O-N 3.27Å; A756-Q760 HydrophobicContact CB-CB 4.43Å; A756-Q760 PolarHBondContact N-O 3.33Å; A756-T762 HydrophobicContact CB-CG2 4.12Å
757P75Confident84.1Confident150 Ų15063.6 Ų63.697%0.97435%0.354SS*.THydrogen-bonded Turntrans-56.4-14.9173.9-2736000115G759P757-G759 VanDerWaalsContact C-N 3.35Å
758S76.6Confident84.2Confident77 Ų7762.6 Ų62.654%0.53835%0.35SS..THydrogen-bonded Turntrans-85.43.6172.657.30000114.7A756 Q760A756-S758 PolarHBondContact O-N 3.23Å; S758-Q760 PolarHBondContact O-N 3.18Å; S758-Q760 WeakPolarHBondContact OG-CG 3.39Å
759G75.8Confident84.4Confident45 Ų4558.3 Ų58.346%0.46433%0.328SS..SBendtrans78.3-12.7-175.700000115A756 P757A756-G759 PolarHBondContact O-N 3.27Å; P757-G759 VanDerWaalsContact C-N 3.35Å
760Q72.7Confident84.3Confident130 Ų13054.1 Ų54.161%0.60731%0.308SS*.  trans-58.9135173.3-68.5-85.2-46.500110.6R755 A756 S758R755-Q760 CarbonylContact C-O 3.54Å; R755-Q760 VanDerWaalsContact CA-O 3.28Å; R755-Q760 WeakPolarHBondContact CA-O 3.38Å; A756-Q760 HydrophobicContact CB-CB 4.43Å; A756-Q760 PolarHBondContact N-O 3.33Å; S758-Q760 PolarHBondContact O-N 3.18Å; S758-Q760 WeakPolarHBondContact OG-CG 3.39Å
761M77.9Confident84Confident34 Ų3455.7 Ų55.717%0.16732%0.315CS..EExtended strand (participates in β ladder)trans-72.8131.7172.3-64.8169.973.500108.4L729 A731 I753 R755 G763L729-M761 VanDerWaalsContact CD2-O 3.23Å; L729-M761 WeakPolarHBondContact CD2-O 3.41Å; A731-M761 WeakPolarHBondContact O-CE 3.39Å; I753-M761 HydrophobicContact CB-CE 4.35Å; I753-M761 HydrophobicContact CD1-CE 3.99Å; I753-M761 HydrophobicContact CG2-CE 3.7Å; R755-M761 HydrophobicContact CG-CG 4.08Å; M761-G763 VanDerWaalsContact C-N 3.33Å; M761-G763 PolarHBondContact O-N 3.09Å
762T79.7Confident83.7Confident66 Ų6659.8 Ų59.841%0.40533%0.329SS..EExtended strand (participates in β ladder)trans-78.7-15.2-168.755.60000114.2H754 A756 D764H754-T762 HydrophobicContact CB-CG2 4.29Å; H754-T762 WeakPolarHBondContact CB-OG1 3.42Å; H754-T762 PolarHBondContact O-N 3.07Å; H754-T762 PolarHBondContact O-OG1 3.5Å; A756-T762 HydrophobicContact CB-CG2 4.12Å; T762-D764 WeakPolarHBondContact OG1-CB 3.49Å; T762-D764 PolarHBondContact OG1-N 3.49Å; T762-D764 VanDerWaalsContact OG1-N 3.16Å
763G84.5Confident83.4Confident7 Ų758.2 Ų58.27%0.07233%0.327CS..EExtended strand (participates in β ladder)trans84-3.1-165.200000113.6G726 L727 M761G726-G763 PolarHBondContact N-O 2.75Å; L727-G763 WeakPolarHBondContact CB-O 3.45Å; L727-G763 PolarHBondContact N-O 2.97Å; M761-G763 VanDerWaalsContact C-N 3.33Å; M761-G763 PolarHBondContact O-N 3.09Å
764D89.9Confident83.4Confident25 Ų2557.7 Ų57.713%0.13433%0.325CS..EExtended strand (participates in β ladder)trans-101.3146.7171.7-722000110.8L723 L724 R725 H754 T762L723-D764 HydrophobicContact CD1-CB 3.89Å; L724-D764 CarbonylContact O-C 3.56Å; L724-D764 VanDerWaalsContact O-CA 3.27Å; L724-D764 WeakPolarHBondContact O-CA 3.22Å; R725-D764 WeakPolarHBondContact CD-OD1 3.42Å; R725-D764 WeakPolarHBondContact CG-OD1 3.4Å; R725-D764 IonicContact CZ-OD1 3.52Å; R725-D764 IonicContact CZ-OD2 2.8Å; R725-D764 VanDerWaalsContact CZ-OD2 3.27Å; R725-D764 VanDerWaalsContact NE-CG 3.27Å; R725-D764 IonicContact NE-OD1 3.24Å; R725-D764 PolarHBondContact NE-OD1 3.19Å; R725-D764 IonicContact NE-OD2 2.66Å; R725-D764 PolarHBondContact NE-OD2 3.49Å; R725-D764 IonicContact NH2-OD2 3.36Å; R725-D764 PolarHBondContact NH2-OD2 2.81Å; H754-D764 HydrophobicContact CB-CB 4.17Å; H754-D764 WeakPolarHBondContact CB-O 3.24Å; H754-D764 PolarHBondContact N-O 2.94Å; T762-D764 WeakPolarHBondContact OG1-CB 3.49Å; T762-D764 PolarHBondContact OG1-N 3.49Å; T762-D764 VanDerWaalsContact OG1-N 3.16Å
765A91.7Very high83.7Confident0 Ų054.3 Ų54.30%031%0.309CS..EExtended strand (participates in β ladder)trans-142.1149.216200000111.3L723 L724 L727 Q752 I753L723-A765 WeakPolarHBondContact CA-O 3.38Å; L724-A765 HydrophobicContact CB-CB 4.45Å; L724-A765 PolarHBondContact N-O 2.84Å; L724-A765 PolarHBondContact O-N 3Å; L727-A765 HydrophobicContact CD1-CB 3.39Å; Q752-A765 CarbonylContact O-C 3.6Å; Q752-A765 WeakPolarHBondContact O-CA 3.4Å; I753-A765 HydrophobicContact CB-CB 4.24Å; I753-A765 HydrophobicContact CG1-CB 4.04Å; I753-A765 HydrophobicContact CG2-CB 4.35Å
766L92.3Very high84Confident39 Ų3950.1 Ų50.120%0.20430%0.296CS..EExtended strand (participates in β ladder)trans-95.9126.6166.4-61.6-178.5000108.8T721 L723 Q752 H754T721-L766 HydrophobicContact CG2-CB 3.7Å; T721-L766 HydrophobicContact CG2-CD1 4.39Å; T721-L766 HydrophobicContact CG2-CD2 3.95Å; T721-L766 HydrophobicContact CG2-CG 4.21Å; L723-L766 HydrophobicContact CB-CD2 4.03Å; L723-L766 HydrophobicContact CD1-CD2 3.96Å; Q752-L766 HydrophobicContact CB-CB 4.45Å; Q752-L766 PolarHBondContact N-O 2.82Å; Q752-L766 PolarHBondContact O-N 2.81Å; H754-L766 WeakPolarHBondContact NE2-CD1 3.3Å
767V93.3Very high84.7Confident0 Ų054.6 Ų54.60%031%0.307CS..EExtended strand (participates in β ladder)trans-113.4113.9168.6176.40000108.3T721 V722 L724 V736 F740 L746 S750 V751 F769T721-V767 WeakPolarHBondContact CA-O 3.4Å; V722-V767 PolarHBondContact N-O 2.83Å; V722-V767 PolarHBondContact O-N 2.98Å; L724-V767 HydrophobicContact CD1-CB 3.93Å; L724-V767 HydrophobicContact CD1-CG2 3.58Å; L724-V767 HydrophobicContact CD2-CG2 4.37Å; V736-V767 HydrophobicContact CG1-CG2 3.56Å; F740-V767 HydrophobicContact CD2-CG1 4.43Å; F740-V767 HydrophobicContact CE2-CB 4.32Å; F740-V767 HydrophobicContact CE2-CG1 4.26Å; F740-V767 HydrophobicContact CE2-CG2 4.02Å; L746-V767 HydrophobicContact CD1-CG1 4.05Å; L746-V767 HydrophobicContact CD2-CG1 3.76Å; S750-V767 WeakPolarHBondContact O-CA 3.29Å; V751-V767 HydrophobicContact CG1-CG2 4.27Å; V751-V767 HydrophobicContact CG2-CG2 4.16Å; V767-F769 HydrophobicContact CB-CE2 4.11Å; V767-F769 HydrophobicContact CG1-CD2 4.04Å; V767-F769 HydrophobicContact CG1-CE2 3.62Å; V767-F769 HydrophobicContact CG1-CZ 4.18Å; V767-F769 WeakPolarHBondContact O-CD2 3.24Å; V767-F769 PolarHBondContact O-N 3.26Å
768S90.8Very high85.5Confident50 Ų5047.5 Ų47.535%0.3526%0.26SS..EExtended strand (participates in β ladder)trans-86.7105.5179.7-640000109.5S750S750-S768 PolarHBondContact O-N 2.95Å
769F90.4Very high86.2Confident6 Ų645.3 Ų45.33%0.02624%0.244CC..  trans-76.1156.8175.9-73.1-105.2000111N720 V722 F740 Y743 L746 V767 N771 D774 A775 A778N720-F769 WeakPolarHBondContact CB-O 3.34Å; N720-F769 PolarHBondContact ND2-O 3.47Å; N720-F769 WeakPolarHBondContact O-CB 3.42Å; N720-F769 PolarHBondContact O-N 2.86Å; V722-F769 HydrophobicContact CB-CD2 4.34Å; V722-F769 HydrophobicContact CB-CE2 3.87Å; V722-F769 HydrophobicContact CG2-CD2 3.69Å; V722-F769 HydrophobicContact CG2-CE2 3.45Å; V722-F769 VanDerWaalsContact CG2-CE2 3.45Å; V722-F769 HydrophobicContact CG2-CZ 4.38Å; F740-F769 AromaticContact CD1-CZ 3.95Å; F740-F769 HydrophobicContact CD1-CZ 3.95Å; F740-F769 AromaticContact CE1-CZ 3.89Å; F740-F769 HydrophobicContact CE1-CZ 3.89Å; F740-F769 HydrophobicContact CE2-CZ 4.47Å; F740-F769 HydrophobicContact CG-CZ 4.3Å; F740-F769 HydrophobicContact CZ-CZ 4.16Å; Y743-F769 HydrophobicContact CD1-CD1 4.08Å; Y743-F769 AromaticContact CD1-CE1 3.69Å; Y743-F769 HydrophobicContact CD1-CE1 3.69Å; Y743-F769 HydrophobicContact CE1-CE1 4.06Å; Y743-F769 HydrophobicContact CG-CE1 4.02Å; L746-F769 HydrophobicContact CD1-CD1 4.4Å; L746-F769 HydrophobicContact CD1-CE1 3.86Å; L746-F769 HydrophobicContact CD1-CZ 4.04Å; L746-F769 HydrophobicContact CD2-CD1 4.1Å; L746-F769 HydrophobicContact CD2-CE1 4.35Å; L746-F769 HydrophobicContact CD2-CG 4.22Å; L746-F769 HydrophobicContact CG-CE1 4.45Å; V767-F769 HydrophobicContact CB-CE2 4.11Å; V767-F769 HydrophobicContact CG1-CD2 4.04Å; V767-F769 HydrophobicContact CG1-CE2 3.62Å; V767-F769 HydrophobicContact CG1-CZ 4.18Å; V767-F769 WeakPolarHBondContact O-CD2 3.24Å; V767-F769 PolarHBondContact O-N 3.26Å; F769-N771 PolarHBondContact O-N 3.46Å; F769-D774 HydrophobicContact CB-CB 4.46Å; F769-D774 HydrophobicContact CD1-CB 3.83Å; F769-A775 HydrophobicContact CB-CB 4.08Å; F769-A775 HydrophobicContact CD2-CB 4.04Å; F769-A775 HydrophobicContact CG-CB 4.08Å; F769-A778 HydrophobicContact CE1-CB 3.69Å; F769-A778 HydrophobicContact CE2-CB 4.26Å; F769-A778 HydrophobicContact CZ-CB 3.45Å; F769-A778 VanDerWaalsContact CZ-CB 3.45Å
770P82.9Confident86.8Confident60 Ų6050 Ų5039%0.3926%0.257SS..SBendtrans-60.6-33.3177.6-18.128.6000112.5N720 E745N720-P770 PolarHBondContact ND2-O 3.03Å; N720-P770 VanDerWaalsContact ND2-O 3.08Å; E745-P770 HydrophobicContact CB-CG 3.48Å; E745-P770 VanDerWaalsContact CB-CG 3.48Å; E745-P770 HydrophobicContact CG-CG 4.39Å; E745-P770 VanDerWaalsContact OE2-CB 3.28Å; E745-P770 WeakPolarHBondContact OE2-CB 3.23Å; E745-P770 WeakPolarHBondContact OE2-CG 3.5Å
771N80.7Confident87.6Confident56 Ų5648.1 Ų48.130%0.29925%0.248SC..SBendtrans-145.9160.8-178.766.478.5000111F769 V773 D774 A775F769-N771 PolarHBondContact O-N 3.46Å; N771-V773 PolarHBondContact O-N 3.37Å; N771-V773 WeakPolarHBondContact OD1-CA 3.38Å; N771-V773 WeakPolarHBondContact OD1-CB 3.38Å; N771-V773 PolarHBondContact OD1-N 3.33Å; N771-D774 PolarHBondContact ND2-OD2 3.42Å; N771-D774 PolarHBondContact OD1-N 3.48Å; N771-A775 PolarHBondContact O-N 3Å
772R84.3Confident88.1Confident100 Ų10048.6 Ų48.638%0.37725%0.248SC..Hα-helixtrans-65.5-33.3179.8-175.5-171.5170.689.15.8113.6G718 D774 A775 E776 L796G718-R772 WeakPolarHBondContact O-CD 3.45Å; G718-R772 PolarHBondContact O-NH1 3.45Å; R772-D774 VanDerWaalsContact C-N 3.3Å; R772-D774 PolarHBondContact O-N 2.91Å; R772-A775 WeakPolarHBondContact O-CB 3.27Å; R772-A775 PolarHBondContact O-N 3.36Å; R772-E776 HydrophobicContact CG-CG 4.28Å; R772-E776 IonicContact CZ-OE1 3.65Å; R772-E776 IonicContact NE-OE1 2.69Å; R772-E776 PolarHBondContact NE-OE1 3.4Å; R772-E776 IonicContact NE-OE2 3.38Å; R772-E776 IonicContact NH2-OE1 2.67Å; R772-E776 PolarHBondContact NH2-OE1 3.02Å; R772-E776 WeakPolarHBondContact O-CB 3.31Å; R772-E776 WeakPolarHBondContact O-CG 3.35Å; R772-E776 PolarHBondContact O-N 2.97Å; R772-L796 VanDerWaalsContact CZ-CD2 3.46Å; R772-L796 VanDerWaalsContact NH2-CD2 3.26Å
773V83.7Confident88.6Confident85 Ų8548.5 Ų48.552%0.51525%0.245SC..Hα-helixtrans-65.7-36.2-177.7-178.60000110.8N771 E776 R777N771-V773 PolarHBondContact O-N 3.37Å; N771-V773 WeakPolarHBondContact OD1-CA 3.38Å; N771-V773 WeakPolarHBondContact OD1-CB 3.38Å; N771-V773 PolarHBondContact OD1-N 3.33Å; V773-E776 PolarHBondContact O-N 3.45Å; V773-R777 WeakPolarHBondContact O-CB 3.3Å; V773-R777 VanDerWaalsContact O-CG 3.32Å; V773-R777 WeakPolarHBondContact O-CG 3.49Å; V773-R777 PolarHBondContact O-N 3.13Å
774D89Confident88.7Confident22 Ų2256.5 Ų56.512%0.11827%0.273CS..Hα-helixtrans-73.7-33.8174.4-67.6-17.7000112.4Y743 F769 N771 R772 R777 A778Y743-D774 HydrophobicContact CD1-CB 4.08Å; Y743-D774 HydrophobicContact CE1-CB 3.97Å; F769-D774 HydrophobicContact CB-CB 4.46Å; F769-D774 HydrophobicContact CD1-CB 3.83Å; N771-D774 PolarHBondContact ND2-OD2 3.42Å; N771-D774 PolarHBondContact OD1-N 3.48Å; R772-D774 VanDerWaalsContact C-N 3.3Å; R772-D774 PolarHBondContact O-N 2.91Å; D774-R777 IonicContact OD1-CZ 3.03Å; D774-R777 IonicContact OD1-NE 3.83Å; D774-R777 PolarHBondContact OD1-NE 3.04Å; D774-R777 IonicContact OD1-NH2 3.69Å; D774-R777 PolarHBondContact OD1-NH2 3.08Å; D774-A778 WeakPolarHBondContact O-CB 3.25Å; D774-A778 PolarHBondContact O-N 3.16Å
775A89.7Confident88.6Confident0 Ų059.3 Ų59.30%029%0.285CS..Hα-helixtrans-64.3-42.7170.900000111.7N720 V722 F769 N771 R772 A778 V779 L796N720-A775 WeakPolarHBondContact O-CB 3.41Å; V722-A775 HydrophobicContact CG2-CB 3.69Å; F769-A775 HydrophobicContact CB-CB 4.08Å; F769-A775 HydrophobicContact CD2-CB 4.04Å; F769-A775 HydrophobicContact CG-CB 4.08Å; N771-A775 PolarHBondContact O-N 3Å; R772-A775 WeakPolarHBondContact O-CB 3.27Å; R772-A775 PolarHBondContact O-N 3.36Å; A775-A778 PolarHBondContact O-N 3.24Å; A775-V779 WeakPolarHBondContact O-CB 3.35Å; A775-V779 VanDerWaalsContact O-CG2 3.25Å; A775-V779 WeakPolarHBondContact O-CG2 3.34Å; A775-V779 PolarHBondContact O-N 3.15Å; A775-L796 HydrophobicContact CB-CD1 3.4Å
776E88.8Confident88.2Confident69 Ų6965.1 Ų65.132%0.32232%0.315SS..Hα-helixtrans-68.1-43.4175.6-75.3174.3156.900111.8R772 V773 V779 I780 L796R772-E776 HydrophobicContact CG-CG 4.28Å; R772-E776 IonicContact CZ-OE1 3.65Å; R772-E776 IonicContact NE-OE1 2.69Å; R772-E776 PolarHBondContact NE-OE1 3.4Å; R772-E776 IonicContact NE-OE2 3.38Å; R772-E776 IonicContact NH2-OE1 2.67Å; R772-E776 PolarHBondContact NH2-OE1 3.02Å; R772-E776 WeakPolarHBondContact O-CB 3.31Å; R772-E776 WeakPolarHBondContact O-CG 3.35Å; R772-E776 PolarHBondContact O-N 2.97Å; V773-E776 PolarHBondContact O-N 3.45Å; E776-V779 PolarHBondContact O-N 3.21Å; E776-I780 VanDerWaalsContact O-CG1 3.31Å; E776-I780 WeakPolarHBondContact O-CG1 2.74Å; E776-I780 PolarHBondContact O-N 3.15Å; E776-L796 HydrophobicContact CG-CD2 3.71Å
777R89.6Confident87.8Confident126 Ų12664 Ų6448%0.47531%0.309SS..Hα-helixtrans-60.9-43.4172.2-77-166.3-73.5-174.8-4.8112Y743 V773 D774 V779 I780 E781Y743-R777 WeakPolarHBondContact OH-CB 3.46Å; V773-R777 WeakPolarHBondContact O-CB 3.3Å; V773-R777 VanDerWaalsContact O-CG 3.32Å; V773-R777 WeakPolarHBondContact O-CG 3.49Å; V773-R777 PolarHBondContact O-N 3.13Å; D774-R777 IonicContact OD1-CZ 3.03Å; D774-R777 IonicContact OD1-NE 3.83Å; D774-R777 PolarHBondContact OD1-NE 3.04Å; D774-R777 IonicContact OD1-NH2 3.69Å; D774-R777 PolarHBondContact OD1-NH2 3.08Å; R777-V779 VanDerWaalsContact C-N 3.33Å; R777-V779 PolarHBondContact O-N 3.39Å; R777-I780 PolarHBondContact O-N 2.87Å; R777-I780 VanDerWaalsContact O-N 3.1Å; R777-E781 WeakPolarHBondContact O-CB 3.42Å; R777-E781 VanDerWaalsContact O-CG 3.31Å; R777-E781 WeakPolarHBondContact O-CG 3.23Å; R777-E781 PolarHBondContact O-N 3.24Å
778A90.6Very high87.1Confident0 Ų067.7 Ų67.70%035%0.347CS..Hα-helixtrans-61.7-41175.200000111.8F740 Y743 F769 D774 A775 I780 R782 L794F740-A778 HydrophobicContact CD1-CB 4.37Å; F740-A778 HydrophobicContact CE1-CB 4.02Å; Y743-A778 HydrophobicContact CE1-CB 4.36Å; Y743-A778 PolarHBondContact OH-N 3.29Å; F769-A778 HydrophobicContact CE1-CB 3.69Å; F769-A778 HydrophobicContact CE2-CB 4.26Å; F769-A778 HydrophobicContact CZ-CB 3.45Å; F769-A778 VanDerWaalsContact CZ-CB 3.45Å; D774-A778 WeakPolarHBondContact O-CB 3.25Å; D774-A778 PolarHBondContact O-N 3.16Å; A775-A778 PolarHBondContact O-N 3.24Å; A778-I780 VanDerWaalsContact C-N 3.3Å; A778-I780 PolarHBondContact O-N 3.08Å; A778-R782 WeakPolarHBondContact O-CA 3.32Å; A778-R782 VanDerWaalsContact O-CB 3.27Å; A778-R782 WeakPolarHBondContact O-CB 3.2Å; A778-R782 PolarHBondContact O-N 3.29Å; A778-L794 VanDerWaalsContact O-CD1 3.3Å; A778-L794 WeakPolarHBondContact O-CD1 3.41Å
779V91.5Very high86.5Confident32 Ų3270.3 Ų70.319%0.19437%0.365CS..Hα-helixtrans-67.2-26.2174.3170.50000112.8V722 A775 E776 R777 N783 L794 L796V722-V779 HydrophobicContact CG1-CG2 3.8Å; V722-V779 HydrophobicContact CG2-CG2 4Å; A775-V779 WeakPolarHBondContact O-CB 3.35Å; A775-V779 VanDerWaalsContact O-CG2 3.25Å; A775-V779 WeakPolarHBondContact O-CG2 3.34Å; A775-V779 PolarHBondContact O-N 3.15Å; E776-V779 PolarHBondContact O-N 3.21Å; R777-V779 VanDerWaalsContact C-N 3.33Å; R777-V779 PolarHBondContact O-N 3.39Å; V779-N783 WeakPolarHBondContact O-CB 3.46Å; V779-L794 HydrophobicContact CG2-CB 3.97Å; V779-L796 HydrophobicContact CG2-CB 4.36Å
780I88.3Confident86Confident143 Ų14375.7 Ų75.773%0.73339%0.386SS*.Hα-helixtrans-82.3-44.9174.6-68.1163.4000111.4E776 R777 A778E776-I780 VanDerWaalsContact O-CG1 3.31Å; E776-I780 WeakPolarHBondContact O-CG1 2.74Å; E776-I780 PolarHBondContact O-N 3.15Å; R777-I780 PolarHBondContact O-N 2.87Å; R777-I780 VanDerWaalsContact O-N 3.1Å; A778-I780 VanDerWaalsContact C-N 3.3Å; A778-I780 PolarHBondContact O-N 3.08Å
781E89.3Confident86.1Confident91 Ų9176.4 Ų76.443%0.42539%0.39SS..Hα-helixtrans-83.5-40.9-172.7-67.8172.1-176.800113.8Y743 R777 Q785Y743-E781 VanDerWaalsContact OH-CD 3.28Å; Y743-E781 PolarHBondContact OH-OE2 3.15Å; R777-E781 WeakPolarHBondContact O-CB 3.42Å; R777-E781 VanDerWaalsContact O-CG 3.31Å; R777-E781 WeakPolarHBondContact O-CG 3.23Å; R777-E781 PolarHBondContact O-N 3.24Å; E781-Q785 PolarHBondContact O-NE2 2.54Å
782R89.3Confident86.6Confident44 Ų4473.7 Ų73.717%0.16638%0.376CS..THydrogen-bonded Turntrans-105.4-10.7-166.9-58.2-71.4161.81251.2113.7F739 F740 Q741 A778 R784 Q785 L794F739-R782 HydrophobicContact CE1-CB 4.03Å; F739-R782 HydrophobicContact CZ-CB 4.26Å; F739-R782 WeakPolarHBondContact CZ-O 3.4Å; F739-R782 PolarHBondContact O-NH1 3.23Å; F740-R782 HydrophobicContact CD1-CG 4.12Å; F740-R782 HydrophobicContact CE1-CB 4.15Å; F740-R782 HydrophobicContact CE1-CG 4.19Å; Q741-R782 VanDerWaalsContact O-CZ 3.3Å; Q741-R782 PolarHBondContact O-NH1 3.12Å; Q741-R782 PolarHBondContact O-NH2 2.79Å; A778-R782 WeakPolarHBondContact O-CA 3.32Å; A778-R782 VanDerWaalsContact O-CB 3.27Å; A778-R782 WeakPolarHBondContact O-CB 3.2Å; A778-R782 PolarHBondContact O-N 3.29Å; R782-R784 PolarHBondContact O-N 3.09Å; R782-Q785 WeakPolarHBondContact O-CB 3.29Å; R782-Q785 PolarHBondContact O-N 3.19Å; R782-L794 HydrophobicContact CB-CD1 3.57Å
783N89.9Confident87Confident63 Ų6371.1 Ų71.134%0.33737%0.369SS..THydrogen-bonded Turntrans-62129179.6-172.915000110.4V779 Q785 D793 L794V779-N783 WeakPolarHBondContact O-CB 3.46Å; N783-Q785 PolarHBondContact O-N 2.93Å; N783-D793 WeakPolarHBondContact OD1-CA 3.49Å; N783-L794 HydrophobicContact CB-CB 4.05Å; N783-L794 HydrophobicContact CB-CD1 4.4Å; N783-L794 HydrophobicContact CB-CG 4.32Å; N783-L794 PolarHBondContact OD1-N 2.62Å
784R86.2Confident87.4Confident175 Ų17567.2 Ų67.266%0.6635%0.346SS*.THydrogen-bonded Turntrans64.69.2-172.1-58-176.5160.9-166.7-6.7116.4R782 I792 D793R782-R784 PolarHBondContact O-N 3.09Å; R784-I792 WeakPolarHBondContact CA-O 3.34Å; R784-I792 PolarHBondContact N-O 2.8Å; R784-D793 WeakPolarHBondContact CG-OD1 3.26Å; R784-D793 IonicContact CZ-OD1 3.26Å; R784-D793 IonicContact NE-OD1 3.44Å; R784-D793 PolarHBondContact NE-OD1 3.34Å; R784-D793 IonicContact NH2-OD1 3.55Å
785Q88Confident87.4Confident85 Ų8571.5 Ų71.540%0.39736%0.361SS..  trans-65.3155.3162.3-67.3-163.918.200110.5F739 E781 R782 N783 P791 I792F739-Q785 HydrophobicContact CE2-CB 3.72Å; F739-Q785 WeakPolarHBondContact CE2-O 3.41Å; F739-Q785 HydrophobicContact CZ-CB 3.9Å; E781-Q785 PolarHBondContact O-NE2 2.54Å; R782-Q785 WeakPolarHBondContact O-CB 3.29Å; R782-Q785 PolarHBondContact O-N 3.19Å; N783-Q785 PolarHBondContact O-N 2.93Å; Q785-P791 WeakPolarHBondContact O-CA 3.46Å; Q785-I792 PolarHBondContact O-N 3.19Å
786I84.1Confident87.3Confident122 Ų12273.5 Ų73.563%0.62637%0.372SS*.EExtended strand (participates in β ladder)trans-93.3124.6-171.7-58.8173.1000110.4R790I786-R790 CarbonylContact C-O 3.49Å; I786-R790 WeakPolarHBondContact CA-O 3.34Å
787M83.2Confident87Confident14 Ų1471.8 Ų71.87%0.06937%0.367CS..EExtended strand (participates in β ladder)trans-104.3113.2164.7-169.8-164.2-69.200109.1L724 L727 A731 D735 V736 F739 S789 R790 I792L724-M787 HydrophobicContact CD2-CE 4.36Å; L727-M787 HydrophobicContact CD2-CE 3.35Å; L727-M787 HydrophobicContact CD2-SD 3.47Å; L727-M787 WeakPolarHBondContact CD2-SD 3.48Å; A731-M787 HydrophobicContact CB-SD 4.14Å; D735-M787 HydrophobicContact CB-SD 4.44Å; V736-M787 HydrophobicContact CB-CE 4.41Å; V736-M787 HydrophobicContact CG2-CE 4.12Å; F739-M787 HydrophobicContact CB-CE 3.49Å; F739-M787 VanDerWaalsContact CB-CE 3.49Å; F739-M787 HydrophobicContact CB-CG 4.46Å; F739-M787 HydrophobicContact CD1-CE 4.16Å; F739-M787 HydrophobicContact CD2-CB 3.8Å; F739-M787 HydrophobicContact CD2-CE 4.19Å; F739-M787 HydrophobicContact CD2-CG 4.35Å; F739-M787 HydrophobicContact CE2-CB 4.22Å; F739-M787 HydrophobicContact CG-CB 4.47Å; F739-M787 HydrophobicContact CG-CE 3.71Å; M787-S789 PolarHBondContact O-N 2.89Å; M787-R790 PolarHBondContact N-O 3.24Å; M787-R790 PolarHBondContact O-N 2.98Å; M787-I792 HydrophobicContact CB-CD1 3.95Å; M787-I792 HydrophobicContact CB-CG1 3.64Å; M787-I792 HydrophobicContact CE-CG1 4.43Å
788G79.9Confident85.9Confident79 Ų7969.7 Ų69.781%0.81438%0.376SS*.THydrogen-bonded Turntrans64.9-91.5-176.100000112.2
789S77.5Confident83.8Confident104 Ų10477.7 Ų77.773%0.72742%0.417SS*.THydrogen-bonded Turntrans-130.411-178.960.80000114.2M787M787-S789 PolarHBondContact O-N 2.89Å
790R79.2Confident83.4Confident119 Ų11980 Ų8045%0.44943%0.429SS..EExtended strand (participates in β ladder)trans-128.1134.1-178.8-64.3-173.5171.2-142.6-5.7111.5G726 I786 M787 I792G726-R790 WeakPolarHBondContact O-CB 3.33Å; G726-R790 WeakPolarHBondContact O-CD 3.26Å; I786-R790 CarbonylContact C-O 3.49Å; I786-R790 WeakPolarHBondContact CA-O 3.34Å; M787-R790 PolarHBondContact N-O 3.24Å; M787-R790 PolarHBondContact O-N 2.98Å; R790-I792 HydrophobicContact CB-CD1 4.46Å
791P86.5Confident83.1Confident75 Ų7576.7 Ų76.749%0.48741%0.413SS..EExtended strand (participates in β ladder)trans-65.5137.1162.830.7-32.8000108.4Q785Q785-P791 WeakPolarHBondContact O-CA 3.46Å
792I90.8Very high82.8Confident0 Ų075.9 Ų75.90%041%0.412CS..  trans-100.8112.4178-54.3-54.3000108.2L724 R725 G726 L727 F739 R784 Q785 M787 R790 L794L724-I792 HydrophobicContact CB-CG2 3.84Å; L724-I792 HydrophobicContact CD2-CG2 4.22Å; L724-I792 HydrophobicContact CG-CG2 3.93Å; R725-I792 WeakPolarHBondContact O-CA 3.47Å; G726-I792 WeakPolarHBondContact O-CD1 3.3Å; L727-I792 HydrophobicContact CD2-CD1 4.08Å; F739-I792 HydrophobicContact CE1-CB 4.27Å; F739-I792 HydrophobicContact CE1-CG2 4.4Å; F739-I792 HydrophobicContact CE2-CB 4.31Å; F739-I792 HydrophobicContact CE2-CG1 4.06Å; F739-I792 HydrophobicContact CZ-CB 3.78Å; F739-I792 HydrophobicContact CZ-CG1 4.02Å; F739-I792 HydrophobicContact CZ-CG2 4.4Å; R784-I792 WeakPolarHBondContact CA-O 3.34Å; R784-I792 PolarHBondContact N-O 2.8Å; Q785-I792 PolarHBondContact O-N 3.19Å; M787-I792 HydrophobicContact CB-CD1 3.95Å; M787-I792 HydrophobicContact CB-CG1 3.64Å; M787-I792 HydrophobicContact CE-CG1 4.43Å; R790-I792 HydrophobicContact CB-CD1 4.46Å; I792-L794 HydrophobicContact CG2-CD2 3.72Å
793D91.2Very high82.4Confident45 Ų4577.8 Ų77.824%0.24143%0.426CS..EExtended strand (participates in β ladder)trans-75.5129.1170.3-69.7-65.5000108.2R725 N783 R784 Y795R725-D793 PolarHBondContact N-O 3.27Å; R725-D793 PolarHBondContact O-N 2.98Å; R725-D793 VanDerWaalsContact O-N 3.12Å; N783-D793 WeakPolarHBondContact OD1-CA 3.49Å; R784-D793 WeakPolarHBondContact CG-OD1 3.26Å; R784-D793 IonicContact CZ-OD1 3.26Å; R784-D793 IonicContact NE-OD1 3.44Å; R784-D793 PolarHBondContact NE-OD1 3.34Å; R784-D793 IonicContact NH2-OD1 3.55Å; D793-Y795 HydrophobicContact CB-CE2 3.71Å
794L92Very high81.9Confident3 Ų378.7 Ų78.72%0.01643%0.432CS..EExtended strand (participates in β ladder)trans-109.8125.9-179-60.7-176.9000110.6V722 L724 F739 F740 A778 V779 R782 N783 I792V722-L794 HydrophobicContact CG1-CB 3.83Å; V722-L794 HydrophobicContact CG1-CD2 3.92Å; V722-L794 HydrophobicContact CG1-CG 4.31Å; L724-L794 HydrophobicContact CB-CD2 4.26Å; L724-L794 HydrophobicContact CD1-CD2 3.97Å; L724-L794 HydrophobicContact CG-CD2 3.57Å; F739-L794 HydrophobicContact CE1-CD1 4.41Å; F739-L794 HydrophobicContact CE1-CD2 4.4Å; F740-L794 HydrophobicContact CE1-CD1 4.12Å; F740-L794 HydrophobicContact CZ-CD1 4.34Å; F740-L794 HydrophobicContact CZ-CD2 4.17Å; A778-L794 VanDerWaalsContact O-CD1 3.3Å; A778-L794 WeakPolarHBondContact O-CD1 3.41Å; V779-L794 HydrophobicContact CG2-CB 3.97Å; R782-L794 HydrophobicContact CB-CD1 3.57Å; N783-L794 HydrophobicContact CB-CB 4.05Å; N783-L794 HydrophobicContact CB-CD1 4.4Å; N783-L794 HydrophobicContact CB-CG 4.32Å; N783-L794 PolarHBondContact OD1-N 2.62Å; I792-L794 HydrophobicContact CG2-CD2 3.72Å
795Y90.9Very high81.6Confident113 Ų11372.3 Ų72.344%0.44342%0.417SS..EExtended strand (participates in β ladder)trans-121.6124.3176.1-54.5-84.2000109.4V722 L723 R725 D793 C797V722-Y795 CarbonylContact C-O 3.59Å; V722-Y795 WeakPolarHBondContact CA-O 3.39Å; L723-Y795 HydrophobicContact CD2-CD2 4.44Å; L723-Y795 PolarHBondContact N-O 2.62Å; L723-Y795 PolarHBondContact O-N 2.89Å; R725-Y795 HydrophobicContact CB-CE2 4.11Å; R725-Y795 HydrophobicContact CG-CD2 4.13Å; R725-Y795 HydrophobicContact CG-CE2 3.94Å; D793-Y795 HydrophobicContact CB-CE2 3.71Å; Y795-C797 PolarHBondContact O-N 3.25Å
796L87.1Confident81.2Confident42 Ų4271.4 Ų71.422%0.2242%0.418CS..EExtended strand (participates in β ladder)trans-65.9122165.8-168.371.9000108.1V722 R772 A775 E776 V779 A798V722-L796 HydrophobicContact CG2-CD1 4.39Å; R772-L796 VanDerWaalsContact CZ-CD2 3.46Å; R772-L796 VanDerWaalsContact NH2-CD2 3.26Å; A775-L796 HydrophobicContact CB-CD1 3.4Å; E776-L796 HydrophobicContact CG-CD2 3.71Å; V779-L796 HydrophobicContact CG2-CB 4.36Å; L796-A798 PolarHBondContact O-N 2.77Å
797C82.5Confident81Confident33 Ų3367.5 Ų67.522%0.22340%0.402CS..PPolyproline II helixtrans-66.9122.2178.6-73.40000110S719 T721 Y795S719-C797 WeakPolarHBondContact CB-O 3.44Å; S719-C797 WeakPolarHBondContact OG-CB 3.41Å; S719-C797 PolarHBondContact OG-O 3.37Å; T721-C797 WeakPolarHBondContact O-CB 3.3Å; T721-C797 PolarHBondContact O-N 2.65Å; Y795-C797 PolarHBondContact O-N 3.25Å
798A65.5Low80.8Confident82 Ų8271.9 Ų71.968%0.67843%0.43SS*.PPolyproline II helixtrans-63.5148.6151.200000108.8L796L796-A798 PolarHBondContact O-N 2.77Å
799I46.3Very low80.9Confident168 Ų16871.3 Ų71.386%0.86240%0.395SS*.  trans-94.10165.8-56.6-177.9000106.6Q717Q717-I799 VanDerWaalsContact O-CD1 3.23Å; Q717-I799 WeakPolarHBondContact O-CD1 3.5Å

Retrieved 799 of 799 residues in 490.1 ms (Link to these results)

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