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Arf-GAP with GTPase, ANK repeat and PH domain-containing protein 3

GTPase-activating protein for the ADP ribosylation factor family (Potential). GTPase which may be involved in the degradation of expanded polyglutamine proteins through the ubiquitin-proteasome pathway.

AlphaFold DB , UniProt , Accession Q96P47, Species HUMAN (Homo sapiens, Human), Gene AGAP3, Length 875 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
1M34.7Very low33.3Very low234 Ų234136 Ų136100%1.15384%0.844SS**  0113.40-52.2168.6-167.700106.2
2N37.2Very low33Very low140 Ų140138.2 Ų138.275%0.74984%0.837SS**  cis-125.5145.8-8.8-74.8-9.5000106.8
3F33.5Very low32.8Very low178 Ų178138.7 Ų138.778%0.78183%0.825SS**  41.2131.481.2-73.9-90.3000113.8
4Q30.2Very low32.5Very low169 Ų169139.9 Ų139.979%0.7982%0.818SS**  cis-168.1175.8-21.2-149.9174.5-0.700106.7
5A35.3Very low32.4Very low102 Ų102142.4 Ų142.484%0.84382%0.819SS**  trans66.3142.1-176.400000115.2
6G32.3Very low32.7Very low81 Ų81144.1 Ų144.184%0.83582%0.817SS**  cis122.6116.4-3.200000112
7G31.1Very low32.7Very low89 Ų89146.4 Ų146.492%0.91883%0.825SS**  trans139.758.5-176.700000112.8
8G31.7Very low32.7Very low67 Ų67144.3 Ų144.369%0.69183%0.829SS**  trans-111.2151.1177.100000112.2
9Q35.3Very low32.6Very low197 Ų197141.4 Ų141.492%0.92183%0.834SS**SBendtrans71.5125.8173.1-54.4-177.37.300116
10S31.6Very low32.5Very low115 Ų115137.6 Ų137.680%0.80483%0.826SS**PPolyproline II helixtrans-77123.1-177.149.40000112.2
11P33.5Very low32.6Very low124 Ų124134 Ų13481%0.80581%0.806SS**PPolyproline II helixtrans-65.6150.9170.5-19.733.1000112.1
12Q29.9Very low33.2Very low162 Ų162128.1 Ų128.176%0.75779%0.785SS**PPolyproline II helixtrans-81.1171.9164.9-55.8178.4-17.100111
13Q30.2Very low33.6Very low145 Ų145128.5 Ų128.568%0.67878%0.782SS**  trans78.9144.9151.1-72.7-179.354.200120.4
14Q28.7Very low34Very low156 Ų156126.6 Ų126.673%0.72978%0.776SS**  trans63.386.7150.1-66.9168.635.600119.1
15Q31.3Very low34.7Very low177 Ų177126.1 Ų126.183%0.82777%0.772SS**  -172.7142122.6-98158.972.800109.1
16Q37.3Very low35.6Very low170 Ų170122.9 Ų122.979%0.79474%0.744SS**  cis-150.4128.8-2.8-141.3159.138.700109.6
17L31.7Very low36.9Very low183 Ų183125 Ų12596%0.95874%0.736SS**  trans-98.8127.6173.4-84.3145.1000109.5
18A33.6Very low38.5Very low108 Ų108124.3 Ų124.389%0.89372%0.717SS**  trans-153.6113.1166.500000109.7
19G29.5Very low40.6Very low89 Ų89123 Ų12392%0.91869%0.694SS**SBendtrans160.1-12.4178.600000117.8
20G31.8Very low42.9Very low65 Ų65114.4 Ų114.467%0.6766%0.656SS**  trans176.9174.2175.500000113.6
21P34.6Very low45.4Very low64 Ų64111.6 Ų111.642%0.41664%0.64SS.*  cis-113.7142.22.937.2-26.6000113.9Q23 Q24P21-Q23 PolarHBondContact O-N 2.88Å; P21-Q24 HydrophobicContact CG-CB 4.45Å; P21-Q24 HydrophobicContact CG-CG 4.23Å
22P47.2Very low47.7Very low110 Ų110107.2 Ų107.271%0.71461%0.614SS**Hα-helixtrans-70.2-19.3170.828.9-34.2000113.4A26P22-A26 PolarHBondContact O-N 2.69Å
23Q45.3Very low50.2Low147 Ų14799.5 Ų99.569%0.68758%0.578SS**Hα-helixtrans-71-34.7-171.6-72.5172.4-34.500114.3P21 A26 L27P21-Q23 PolarHBondContact O-N 2.88Å; Q23-A26 PolarHBondContact O-N 3.31Å; Q23-L27 WeakPolarHBondContact O-CG 3.41Å; Q23-L27 PolarHBondContact O-N 3.29Å
24Q42.6Very low52.9Low138 Ų13899 Ų9965%0.64557%0.57SS**Hα-helixtrans-66.9-40-179.9-80-179.7-47.700112.4P21 L27 S28P21-Q24 HydrophobicContact CG-CB 4.45Å; P21-Q24 HydrophobicContact CG-CG 4.23Å; Q24-L27 PolarHBondContact O-N 3.05Å; Q24-S28 PolarHBondContact O-N 3.34Å
25F44.4Very low55.5Low160 Ų16094.4 Ų94.470%0.70256%0.558SS**Hα-helixtrans-65.1-39.6175.7-82.1-82.7000112.5S28 N29F25-S28 PolarHBondContact O-N 3.2Å; F25-N29 PolarHBondContact O-N 3.03Å; F25-N29 VanDerWaalsContact O-N 3.09Å
26A53.2Low57.8Low33 Ų3387 Ų8727%0.27352%0.524SS..Hα-helixtrans-61.4-44.8176.600000112.1P22 Q23 N29 S30P22-A26 PolarHBondContact O-N 2.69Å; Q23-A26 PolarHBondContact O-N 3.31Å; A26-N29 PolarHBondContact O-N 2.81Å; A26-S30 PolarHBondContact O-N 2.87Å
27L59.9Low60Low125 Ų12579.7 Ų79.765%0.65449%0.49SS*.Hα-helixtrans-64.6-40.9177.1-68.7170.1000112.5Q23 Q24 S30 A31Q23-L27 WeakPolarHBondContact O-CG 3.41Å; Q23-L27 PolarHBondContact O-N 3.29Å; Q24-L27 PolarHBondContact O-N 3.05Å; L27-S30 PolarHBondContact O-N 2.92Å; L27-A31 PolarHBondContact O-N 3.44Å
28S65.2Low62.5Low76 Ų7677.7 Ų77.753%0.53148%0.476SS..Hα-helixtrans-61.4-44.6177.4-171.30000112.2Q24 F25 A31 A32Q24-S28 PolarHBondContact O-N 3.34Å; F25-S28 PolarHBondContact O-N 3.2Å; S28-A31 PolarHBondContact O-N 3.34Å; S28-A32 PolarHBondContact O-N 3.46Å
29N76.3Confident64.8Low39 Ų3977.7 Ų77.721%0.20945%0.453CS..Hα-helixtrans-65.6-43.2179.1-75.64.1000111.6F25 A26 A31 A32 I33F25-N29 PolarHBondContact O-N 3.03Å; F25-N29 VanDerWaalsContact O-N 3.09Å; A26-N29 PolarHBondContact O-N 2.81Å; N29-A31 VanDerWaalsContact C-N 3.29Å; N29-A31 PolarHBondContact O-N 3.31Å; N29-A32 PolarHBondContact O-N 3.13Å; N29-I33 HydrophobicContact CB-CD1 4.49Å; N29-I33 WeakPolarHBondContact O-CB 3.44Å; N29-I33 WeakPolarHBondContact O-CD1 3.42Å; N29-I33 WeakPolarHBondContact O-CG1 3.21Å; N29-I33 PolarHBondContact O-N 3.11Å
30S83.7Confident67.3Low16 Ų1674.4 Ų74.411%0.11241%0.413CS..Hα-helixtrans-58.8-38.3177.4-179.30000112.9A26 L27 R34 E130A26-S30 PolarHBondContact O-N 2.87Å; L27-S30 PolarHBondContact O-N 2.92Å; S30-R34 PolarHBondContact O-N 3.08Å; S30-R34 VanDerWaalsContact O-N 3.13Å; S30-R34 PolarHBondContact O-NE 3.04Å; S30-R34 PolarHBondContact OG-NE 3.46Å; S30-R34 PolarHBondContact OG-NH2 3.44Å; S30-E130 WeakPolarHBondContact CA-OE1 3.46Å; S30-E130 WeakPolarHBondContact CB-OE1 3.34Å; S30-E130 PolarHBondContact OG-OE1 3.19Å; S30-E130 PolarHBondContact OG-OE2 3.02Å
31A83Confident69.7Low56 Ų5676.8 Ų76.846%0.46341%0.407SS..Hα-helixtrans-66.6-44.9176.500000112.2L27 S28 N29 R34 A35L27-A31 PolarHBondContact O-N 3.44Å; S28-A31 PolarHBondContact O-N 3.34Å; N29-A31 VanDerWaalsContact C-N 3.29Å; N29-A31 PolarHBondContact O-N 3.31Å; A31-R34 PolarHBondContact O-N 3.06Å; A31-A35 PolarHBondContact O-N 3.2Å; A31-A35 VanDerWaalsContact O-N 3.11Å
32A81.6Confident72Confident33 Ų3376.7 Ų76.727%0.27341%0.408SS..Hα-helixtrans-64.8-41.4177.300000112.5S28 N29 A35 E36 V89S28-A32 PolarHBondContact O-N 3.46Å; N29-A32 PolarHBondContact O-N 3.13Å; A32-A35 PolarHBondContact O-N 3.14Å; A32-E36 PolarHBondContact O-N 3.07Å; A32-E36 VanDerWaalsContact O-N 3.1Å; A32-V89 HydrophobicContact CB-CG2 3.84Å
33I83.6Confident73.6Confident0 Ų073.6 Ų73.60%039%0.387CS..Hα-helixtrans-58.4-48.9175.9-70.5162000110.7N29 E36 I37 V89 E130 L139N29-I33 HydrophobicContact CB-CD1 4.49Å; N29-I33 WeakPolarHBondContact O-CB 3.44Å; N29-I33 WeakPolarHBondContact O-CD1 3.42Å; N29-I33 WeakPolarHBondContact O-CG1 3.21Å; N29-I33 PolarHBondContact O-N 3.11Å; I33-E36 PolarHBondContact O-N 3.41Å; I33-I37 HydrophobicContact CG2-CD1 3.66Å; I33-I37 HydrophobicContact CG2-CG1 4.47Å; I33-I37 VanDerWaalsContact O-CG1 3.32Å; I33-I37 WeakPolarHBondContact O-CG1 3.47Å; I33-I37 PolarHBondContact O-N 2.97Å; I33-V89 HydrophobicContact CD1-CG1 4.12Å; I33-V89 HydrophobicContact CG1-CB 4.47Å; I33-V89 HydrophobicContact CG1-CG1 3.5Å; I33-V89 VanDerWaalsContact CG1-CG1 3.5Å; I33-V89 HydrophobicContact CG1-CG2 4.08Å; I33-E130 HydrophobicContact CG2-CB 3.72Å; I33-E130 HydrophobicContact CG2-CG 3.89Å; I33-L139 HydrophobicContact CG1-CB 4.3Å; I33-L139 HydrophobicContact CG2-CB 4.47Å; I33-L139 HydrophobicContact CG2-CD1 4.26Å
34R86.2Confident75.2Confident135 Ų13568.7 Ų68.751%0.50936%0.364SS..Hα-helixtrans-67.5-36-178.6-77.4178.5-78.3140-5.3113.4S30 A31 E36 I37 Q38 E130S30-R34 PolarHBondContact O-N 3.08Å; S30-R34 VanDerWaalsContact O-N 3.13Å; S30-R34 PolarHBondContact O-NE 3.04Å; S30-R34 PolarHBondContact OG-NE 3.46Å; S30-R34 PolarHBondContact OG-NH2 3.44Å; A31-R34 PolarHBondContact O-N 3.06Å; R34-E36 VanDerWaalsContact C-N 3.35Å; R34-I37 PolarHBondContact O-N 3.47Å; R34-Q38 WeakPolarHBondContact O-CB 3.39Å; R34-Q38 PolarHBondContact O-N 3.31Å; R34-E130 WeakPolarHBondContact CD-OE2 3.48Å; R34-E130 WeakPolarHBondContact CG-OE2 3.3Å; R34-E130 IonicContact NE-OE2 2.68Å; R34-E130 PolarHBondContact NE-OE2 2.69Å
35A82.6Confident77.2Confident58 Ų5866.1 Ų66.148%0.47936%0.359SS..Hα-helixtrans-63.6-39.8173.100000112.3A31 A32 R39A31-A35 PolarHBondContact O-N 3.2Å; A31-A35 VanDerWaalsContact O-N 3.11Å; A32-A35 PolarHBondContact O-N 3.14Å; A35-R39 WeakPolarHBondContact O-CB 3.29Å; A35-R39 PolarHBondContact O-N 3.34Å
36E80.3Confident79.2Confident21 Ų2163.6 Ų63.610%0.09835%0.353CS..Hα-helixtrans-71.8-33177.8173.553.8-161.200113.2A32 I33 R34 R39 F40 K128 L139A32-E36 PolarHBondContact O-N 3.07Å; A32-E36 VanDerWaalsContact O-N 3.1Å; I33-E36 PolarHBondContact O-N 3.41Å; R34-E36 VanDerWaalsContact C-N 3.35Å; E36-R39 IonicContact OE1-CZ 3.94Å; E36-R39 IonicContact OE1-NH2 3.47Å; E36-R39 PolarHBondContact OE1-NH2 3.01Å; E36-R39 IonicContact OE2-CZ 2.71Å; E36-R39 IonicContact OE2-NE 3.23Å; E36-R39 PolarHBondContact OE2-NE 3.05Å; E36-R39 IonicContact OE2-NH2 2.81Å; E36-R39 PolarHBondContact OE2-NH2 3.11Å; E36-F40 PolarHBondContact O-N 3.2Å; E36-K128 IonicContact OE1-NZ 3.75Å; E36-K128 PolarHBondContact OE1-NZ 3.39Å; E36-L139 HydrophobicContact CG-CD2 4.16Å
37I83.5Confident80.7Confident17 Ų1762.5 Ų62.59%0.08734%0.342CS..Hα-helixtrans-65-54.1170.8-68.5162.7000109.8I33 R34 R39 F40 E41 K128 E130 L139I33-I37 HydrophobicContact CG2-CD1 3.66Å; I33-I37 HydrophobicContact CG2-CG1 4.47Å; I33-I37 VanDerWaalsContact O-CG1 3.32Å; I33-I37 WeakPolarHBondContact O-CG1 3.47Å; I33-I37 PolarHBondContact O-N 2.97Å; R34-I37 PolarHBondContact O-N 3.47Å; I37-R39 VanDerWaalsContact C-N 3.27Å; I37-R39 PolarHBondContact O-N 2.87Å; I37-F40 WeakPolarHBondContact O-CB 3.23Å; I37-F40 PolarHBondContact O-N 3.22Å; I37-E41 VanDerWaalsContact CG2-CD 3.47Å; I37-E41 HydrophobicContact CG2-CG 4.21Å; I37-E41 WeakPolarHBondContact CG2-OE1 3.23Å; I37-E41 WeakPolarHBondContact O-CG 3.41Å; I37-E41 PolarHBondContact O-N 3.37Å; I37-K128 HydrophobicContact CG1-CB 3.9Å; I37-E130 HydrophobicContact CD1-CB 4.23Å; I37-L139 HydrophobicContact CD1-CD1 4.36Å; I37-L139 HydrophobicContact CG1-CD1 4.04Å
38Q85.4Confident81.9Confident142 Ų14263.1 Ų63.166%0.66434%0.337SS*.Hα-helixtrans-56.9-40.4179.5-176.1-178-2.600112.2R34 F40 S42R34-Q38 WeakPolarHBondContact O-CB 3.39Å; R34-Q38 PolarHBondContact O-N 3.31Å; Q38-F40 PolarHBondContact O-N 3.23Å; Q38-S42 WeakPolarHBondContact O-CB 3.37Å; Q38-S42 PolarHBondContact O-N 3.04Å; Q38-S42 PolarHBondContact O-OG 3.41Å
39R81.8Confident83.1Confident108 Ų10861.7 Ų61.741%0.40833%0.33SS..Hα-helixtrans-61.2-42.2175.9-171.6-174.76992.22.2112.1A35 E36 I37 S42 W83A35-R39 WeakPolarHBondContact O-CB 3.29Å; A35-R39 PolarHBondContact O-N 3.34Å; E36-R39 IonicContact OE1-CZ 3.94Å; E36-R39 IonicContact OE1-NH2 3.47Å; E36-R39 PolarHBondContact OE1-NH2 3.01Å; E36-R39 IonicContact OE2-CZ 2.71Å; E36-R39 IonicContact OE2-NE 3.23Å; E36-R39 PolarHBondContact OE2-NE 3.05Å; E36-R39 IonicContact OE2-NH2 2.81Å; E36-R39 PolarHBondContact OE2-NH2 3.11Å; I37-R39 VanDerWaalsContact C-N 3.27Å; I37-R39 PolarHBondContact O-N 2.87Å; R39-S42 PolarHBondContact O-OG 3.16Å; R39-W83 PolarHBondContact NH2-O 3.16Å
40F81.2Confident83.7Confident20 Ų2063.3 Ų63.39%0.08834%0.338CS..Hα-helixtrans-68.7-49.4177.7179.1-101.4000112.1E36 I37 Q38 S42 V43 V78 R126 K128E36-F40 PolarHBondContact O-N 3.2Å; I37-F40 WeakPolarHBondContact O-CB 3.23Å; I37-F40 PolarHBondContact O-N 3.22Å; Q38-F40 PolarHBondContact O-N 3.23Å; F40-S42 PolarHBondContact O-N 2.99Å; F40-V43 WeakPolarHBondContact O-CB 3.2Å; F40-V43 PolarHBondContact O-N 3.21Å; F40-V43 VanDerWaalsContact O-N 3.08Å; F40-V78 HydrophobicContact CE2-CG1 4.08Å; F40-V78 HydrophobicContact CZ-CG1 3.96Å; F40-R126 WeakPolarHBondContact CZ-O 3.5Å; F40-K128 HydrophobicContact CB-CD 3.75Å; F40-K128 HydrophobicContact CD1-CB 4.4Å; F40-K128 HydrophobicContact CD1-CD 3.97Å; F40-K128 HydrophobicContact CD1-CG 3.91Å; F40-K128 HydrophobicContact CD2-CD 4.1Å; F40-K128 VanDerWaalsContact CD2-CE 3.43Å; F40-K128 VanDerWaalsContact CD2-NZ 3.33Å; F40-K128 HydrophobicContact CE1-CG 4.21Å; F40-K128 HydrophobicContact CG-CD 3.68Å; F40-K128 HydrophobicContact CG-CG 4.14Å
41E82.6Confident84Confident114 Ų11464.9 Ų64.953%0.53334%0.341SS..Hα-helixtrans-60.4-31.4179.2-68.3172.6159.900112.3I37 V43 P45I37-E41 VanDerWaalsContact CG2-CD 3.47Å; I37-E41 HydrophobicContact CG2-CG 4.21Å; I37-E41 WeakPolarHBondContact CG2-OE1 3.23Å; I37-E41 WeakPolarHBondContact O-CG 3.41Å; I37-E41 PolarHBondContact O-N 3.37Å; E41-V43 PolarHBondContact O-N 3.03Å; E41-P45 VanDerWaalsContact O-CD 3.3Å; E41-P45 WeakPolarHBondContact O-CD 3.44Å
42S82.7Confident84.4Confident63 Ų6367.2 Ų67.244%0.44135%0.346SS..THydrogen-bonded Turntrans-67.3-1317774.90000115.2Q38 R39 F40 N46Q38-S42 WeakPolarHBondContact O-CB 3.37Å; Q38-S42 PolarHBondContact O-N 3.04Å; Q38-S42 PolarHBondContact O-OG 3.41Å; R39-S42 PolarHBondContact O-OG 3.16Å; F40-S42 PolarHBondContact O-N 2.99Å; S42-N46 PolarHBondContact O-ND2 3.45Å
43V81.2Confident84.9Confident45 Ų4570.5 Ų70.527%0.27336%0.358SS..THydrogen-bonded Turntrans-77.7-46.7-178.1-177.70000111.6F40 E41 N46 I47F40-V43 WeakPolarHBondContact O-CB 3.2Å; F40-V43 PolarHBondContact O-N 3.21Å; F40-V43 VanDerWaalsContact O-N 3.08Å; E41-V43 PolarHBondContact O-N 3.03Å; V43-N46 WeakPolarHBondContact O-CB 3.45Å; V43-N46 PolarHBondContact O-N 3.39Å; V43-I47 HydrophobicContact CG1-CD1 3.71Å; V43-I47 HydrophobicContact CG1-CG1 4.12Å; V43-I47 PolarHBondContact O-N 3.13Å
44H79.3Confident85.3Confident44 Ų4470.6 Ų70.620%0.20436%0.359CS..Hα-helixtrans-58.2-43.5-171.9-72.4-70.9000114.9N46 I47 Y48 E74H44-N46 PolarHBondContact O-N 3.44Å; H44-I47 PolarHBondContact O-N 2.9Å; H44-Y48 HydrophobicContact CB-CD2 4.38Å; H44-Y48 HydrophobicContact CB-CE2 4.01Å; H44-Y48 WeakPolarHBondContact O-CD2 3.5Å; H44-Y48 PolarHBondContact O-N 2.9Å; H44-E74 IonicContact CE1-OE1 2.68Å; H44-E74 IonicContact ND1-OE1 3.19Å; H44-E74 PolarHBondContact ND1-OE1 2.96Å
45P84.5Confident85.4Confident83 Ų8370.9 Ų70.954%0.53937%0.366SS..Hα-helixtrans-58.3-32.2176.3-25.735.5000113.6E41 A49E41-P45 VanDerWaalsContact O-CD 3.3Å; E41-P45 WeakPolarHBondContact O-CD 3.44Å; P45-A49 WeakPolarHBondContact O-CB 3.36Å; P45-A49 PolarHBondContact O-N 2.78Å
46N85.5Confident85.9Confident107 Ų10777.7 Ų77.757%0.57238%0.379SS*.Hα-helixtrans-75.3-34.1176.7-68.2-80.2000111.8S42 V43 H44 I50S42-N46 PolarHBondContact O-ND2 3.45Å; V43-N46 WeakPolarHBondContact O-CB 3.45Å; V43-N46 PolarHBondContact O-N 3.39Å; H44-N46 PolarHBondContact O-N 3.44Å; N46-I50 WeakPolarHBondContact O-CD1 3.48Å; N46-I50 VanDerWaalsContact O-CG1 3.26Å; N46-I50 WeakPolarHBondContact O-CG1 3.46Å; N46-I50 PolarHBondContact O-N 3.28Å
47I85.2Confident86.5Confident10 Ų1078.7 Ų78.75%0.05139%0.385CS..Hα-helixtrans-67.5-48174.8-67178.1000110.6V43 H44 A49 I50 Y51 V70 E74 V78V43-I47 HydrophobicContact CG1-CD1 3.71Å; V43-I47 HydrophobicContact CG1-CG1 4.12Å; V43-I47 PolarHBondContact O-N 3.13Å; H44-I47 PolarHBondContact O-N 2.9Å; I47-A49 VanDerWaalsContact C-N 3.35Å; I47-A49 PolarHBondContact O-N 3.42Å; I47-I50 WeakPolarHBondContact O-CB 3.32Å; I47-I50 PolarHBondContact O-N 3.45Å; I47-Y51 HydrophobicContact CG2-CD2 3.96Å; I47-Y51 HydrophobicContact CG2-CE2 3.49Å; I47-Y51 VanDerWaalsContact CG2-CE2 3.49Å; I47-Y51 PolarHBondContact O-N 3.19Å; I47-Y51 VanDerWaalsContact O-N 3.11Å; I47-V70 HydrophobicContact CG2-CG1 4.17Å; I47-E74 HydrophobicContact CD1-CB 4Å; I47-E74 HydrophobicContact CD1-CG 3.94Å; I47-V78 HydrophobicContact CD1-CG2 4.27Å
48Y85.3Confident86.9Confident138 Ų13887.2 Ų87.254%0.54143%0.425SS..Hα-helixtrans-60.1-42.9177.6-67-56.8000112.4H44 I50 Y51 D52H44-Y48 HydrophobicContact CB-CD2 4.38Å; H44-Y48 HydrophobicContact CB-CE2 4.01Å; H44-Y48 WeakPolarHBondContact O-CD2 3.5Å; H44-Y48 PolarHBondContact O-N 2.9Å; Y48-I50 PolarHBondContact O-N 2.96Å; Y48-Y51 HydrophobicContact CD1-CD2 4.39Å; Y48-Y51 WeakPolarHBondContact O-CA 3.41Å; Y48-Y51 PolarHBondContact O-N 2.74Å; Y48-D52 PolarHBondContact O-N 3.03Å
49A88.7Confident87.3Confident46 Ų4684.7 Ų84.738%0.3842%0.415SS..Hα-helixtrans-61.5-23.9174.500000113.8P45 I47 L53P45-A49 WeakPolarHBondContact O-CB 3.36Å; P45-A49 PolarHBondContact O-N 2.78Å; I47-A49 VanDerWaalsContact C-N 3.35Å; I47-A49 PolarHBondContact O-N 3.42Å; A49-L53 WeakPolarHBondContact O-CD1 3.29Å; A49-L53 VanDerWaalsContact O-CG 3.28Å; A49-L53 WeakPolarHBondContact O-CG 3.48Å; A49-L53 PolarHBondContact O-N 3.37Å
50I90.4Very high87.8Confident73 Ų7385 Ų8537%0.37443%0.425SS..Hα-helixtrans-78.4-37.7172-63.4161.2000110.7N46 I47 Y48 L53 I54 V70N46-I50 WeakPolarHBondContact O-CD1 3.48Å; N46-I50 VanDerWaalsContact O-CG1 3.26Å; N46-I50 WeakPolarHBondContact O-CG1 3.46Å; N46-I50 PolarHBondContact O-N 3.28Å; I47-I50 WeakPolarHBondContact O-CB 3.32Å; I47-I50 PolarHBondContact O-N 3.45Å; Y48-I50 PolarHBondContact O-N 2.96Å; I50-L53 PolarHBondContact O-N 3.46Å; I50-L53 VanDerWaalsContact O-N 3.15Å; I50-I54 HydrophobicContact CG2-CD1 4Å; I50-I54 HydrophobicContact CG2-CG1 4.39Å; I50-I54 VanDerWaalsContact O-CG1 3.31Å; I50-I54 WeakPolarHBondContact O-CG1 3.42Å; I50-I54 PolarHBondContact O-N 3.38Å; I50-V70 HydrophobicContact CG2-CG1 4.48Å; I50-V70 HydrophobicContact CG2-CG2 3.62Å
51Y90.5Very high88.4Confident49 Ų4986.8 Ų86.819%0.19244%0.443CS..Hα-helixtrans-61.3-42.6172.7-70.7-56.2000112I47 Y48 L53 I54 E55 R67 V70 I71I47-Y51 HydrophobicContact CG2-CD2 3.96Å; I47-Y51 HydrophobicContact CG2-CE2 3.49Å; I47-Y51 VanDerWaalsContact CG2-CE2 3.49Å; I47-Y51 PolarHBondContact O-N 3.19Å; I47-Y51 VanDerWaalsContact O-N 3.11Å; Y48-Y51 HydrophobicContact CD1-CD2 4.39Å; Y48-Y51 WeakPolarHBondContact O-CA 3.41Å; Y48-Y51 PolarHBondContact O-N 2.74Å; Y51-L53 PolarHBondContact O-N 3.04Å; Y51-I54 HydrophobicContact CD1-CD1 4Å; Y51-I54 HydrophobicContact CE1-CD1 4.48Å; Y51-I54 WeakPolarHBondContact O-CB 3.25Å; Y51-I54 PolarHBondContact O-N 2.85Å; Y51-E55 PolarHBondContact O-N 3.35Å; Y51-R67 HydrophobicContact CE1-CG 4.23Å; Y51-V70 HydrophobicContact CD1-CG1 4.44Å; Y51-V70 HydrophobicContact CE1-CB 4.2Å; Y51-V70 HydrophobicContact CE1-CG1 3.8Å; Y51-V70 HydrophobicContact CE2-CG1 4.16Å; Y51-I71 WeakPolarHBondContact OH-CG1 3.24Å
52D89.8Confident88.9Confident105 Ų10584.9 Ų84.956%0.56144%0.436SS*.Hα-helixtrans-57.5-32.3173.3-64.1-24000113Y48Y48-D52 PolarHBondContact O-N 3.03Å
53L92.1Very high89.4Confident102 Ų10283.1 Ų83.153%0.53442%0.421SS..Hα-helixtrans-81-31.3176.3-70171000112.6A49 I50 Y51 R56A49-L53 WeakPolarHBondContact O-CD1 3.29Å; A49-L53 VanDerWaalsContact O-CG 3.28Å; A49-L53 WeakPolarHBondContact O-CG 3.48Å; A49-L53 PolarHBondContact O-N 3.37Å; I50-L53 PolarHBondContact O-N 3.46Å; I50-L53 VanDerWaalsContact O-N 3.15Å; Y51-L53 PolarHBondContact O-N 3.04Å; L53-R56 PolarHBondContact O-N 2.79Å
54I91.7Very high89.8Confident3 Ų384.5 Ų84.52%0.01543%0.427CS..Hα-helixtrans-65.7-42.1173.9-72.3165.1000110.4I50 Y51 R56 I57 Q63 I66 R67 V70I50-I54 HydrophobicContact CG2-CD1 4Å; I50-I54 HydrophobicContact CG2-CG1 4.39Å; I50-I54 VanDerWaalsContact O-CG1 3.31Å; I50-I54 WeakPolarHBondContact O-CG1 3.42Å; I50-I54 PolarHBondContact O-N 3.38Å; Y51-I54 HydrophobicContact CD1-CD1 4Å; Y51-I54 HydrophobicContact CE1-CD1 4.48Å; Y51-I54 WeakPolarHBondContact O-CB 3.25Å; Y51-I54 PolarHBondContact O-N 2.85Å; I54-R56 PolarHBondContact O-N 2.83Å; I54-R56 VanDerWaalsContact O-N 3.11Å; I54-I57 WeakPolarHBondContact O-CB 3.15Å; I54-I57 WeakPolarHBondContact O-CG1 3.45Å; I54-I57 PolarHBondContact O-N 3.1Å; I54-Q63 HydrophobicContact CG2-CG 3.4Å; I54-Q63 VanDerWaalsContact CG2-CG 3.4Å; I54-Q63 WeakPolarHBondContact O-CG 3.34Å; I54-Q63 PolarHBondContact O-NE2 3.29Å; I54-I66 HydrophobicContact CD1-CG2 3.81Å; I54-I66 HydrophobicContact CG1-CB 4.39Å; I54-I66 HydrophobicContact CG1-CG2 3.75Å; I54-R67 HydrophobicContact CG2-CB 4.34Å; I54-V70 HydrophobicContact CD1-CB 4.38Å; I54-V70 HydrophobicContact CD1-CG2 3.92Å
55E90.1Very high90.5Very high140 Ų14088.1 Ų88.165%0.65444%0.444SS*.THydrogen-bonded Turntrans-63.9-17.4179.1-66.4-164.1166.400113.8Y51 I57Y51-E55 PolarHBondContact O-N 3.35Å; E55-I57 VanDerWaalsContact C-N 3.32Å
56R92.4Very high90.9Very high201 Ų20186.8 Ų86.876%0.75843%0.432SS*.THydrogen-bonded Turntrans-82.9-0.8173.8-68.7172162.3-177.3-4.2114.4L53 I54L53-R56 PolarHBondContact O-N 2.79Å; I54-R56 PolarHBondContact O-N 2.83Å; I54-R56 VanDerWaalsContact O-N 3.11Å
57I93Very high91.2Very high42 Ų4284.4 Ų84.422%0.21542%0.415CS..  trans-89.8114.9180-57.3178.1000109.7I54 E55 D59 L62 Q63 I66I54-I57 WeakPolarHBondContact O-CB 3.15Å; I54-I57 WeakPolarHBondContact O-CG1 3.45Å; I54-I57 PolarHBondContact O-N 3.1Å; E55-I57 VanDerWaalsContact C-N 3.32Å; I57-D59 HydrophobicContact CG2-CB 4.38Å; I57-L62 HydrophobicContact CG2-CB 4.39Å; I57-L62 HydrophobicContact CG2-CD2 4.19Å; I57-L62 HydrophobicContact CG2-CG 4.35Å; I57-Q63 HydrophobicContact CB-CB 4.23Å; I57-Q63 HydrophobicContact CB-CG 4.42Å; I57-Q63 HydrophobicContact CG2-CB 4.26Å; I57-Q63 PolarHBondContact O-NE2 3.01Å; I57-I66 HydrophobicContact CD1-CD1 3.6Å
58E92.3Very high91.5Very high197 Ų19790.2 Ų90.292%0.92144%0.442SS*.SBendtrans-67.8-32.6179-62.2-177.6174.200113.4L60E58-L60 PolarHBondContact O-N 3.35Å; E58-L60 VanDerWaalsContact O-N 3.14Å
59D93.9Very high91.8Very high88 Ų8889.8 Ų89.847%0.47144%0.444SS..  trans-74.8102.3175.3177.52.3000110.6I57 A61 L62 Q63I57-D59 HydrophobicContact CG2-CB 4.38Å; D59-A61 PolarHBondContact O-N 3.25Å; D59-A61 WeakPolarHBondContact OD1-CB 3.21Å; D59-A61 PolarHBondContact OD1-N 3.23Å; D59-L62 HydrophobicContact CB-CB 3.99Å; D59-L62 PolarHBondContact O-N 3.42Å; D59-L62 PolarHBondContact OD1-N 2.83Å; D59-L62 WeakPolarHBondContact OD2-CB 3.45Å; D59-Q63 VanDerWaalsContact O-CB 3.28Å; D59-Q63 WeakPolarHBondContact O-CB 3.39Å; D59-Q63 PolarHBondContact O-N 3.38Å
60L92.2Very high91.8Very high115 Ų11588.1 Ų88.160%0.60243%0.429SS*.Hα-helixtrans-61.3-24.4179.7-141.976.4000113.9E58 N64E58-L60 PolarHBondContact O-N 3.35Å; E58-L60 VanDerWaalsContact O-N 3.14Å; L60-N64 PolarHBondContact O-N 3.38Å; L60-N64 PolarHBondContact O-ND2 2.9Å
61A92.6Very high91.6Very high57 Ų5788 Ų8847%0.47143%0.428SS..Hα-helixtrans-77.3-47.4176.900000110.8D59 N64 Q65D59-A61 PolarHBondContact O-N 3.25Å; D59-A61 WeakPolarHBondContact OD1-CB 3.21Å; D59-A61 PolarHBondContact OD1-N 3.23Å; A61-N64 PolarHBondContact O-N 3.44Å; A61-Q65 WeakPolarHBondContact O-CG 3.29Å; A61-Q65 PolarHBondContact O-N 2.99Å; A61-Q65 VanDerWaalsContact O-N 3.11Å
62L93.6Very high91.3Very high74 Ų7488.8 Ų88.839%0.38744%0.442SS..Hα-helixtrans-63.1-42.5173.7-179.461.9000111.7I57 D59 N64 Q65 I66I57-L62 HydrophobicContact CG2-CB 4.39Å; I57-L62 HydrophobicContact CG2-CD2 4.19Å; I57-L62 HydrophobicContact CG2-CG 4.35Å; D59-L62 HydrophobicContact CB-CB 3.99Å; D59-L62 PolarHBondContact O-N 3.42Å; D59-L62 PolarHBondContact OD1-N 2.83Å; D59-L62 WeakPolarHBondContact OD2-CB 3.45Å; L62-N64 VanDerWaalsContact C-N 3.32Å; L62-N64 PolarHBondContact O-N 2.85Å; L62-Q65 PolarHBondContact O-N 3.38Å; L62-I66 HydrophobicContact CD1-CD1 3.8Å; L62-I66 HydrophobicContact CD1-CG1 4.14Å; L62-I66 HydrophobicContact CG-CD1 3.8Å; L62-I66 HydrophobicContact CG-CG1 4.48Å; L62-I66 WeakPolarHBondContact O-CG1 3.49Å; L62-I66 PolarHBondContact O-N 2.81Å
63Q92.3Very high91Very high26 Ų2687.9 Ų87.912%0.12144%0.436CS..Hα-helixtrans-54.3-48.1177.3-170.2-171.4104.400111.3I54 I57 D59 I66 R67I54-Q63 HydrophobicContact CG2-CG 3.4Å; I54-Q63 VanDerWaalsContact CG2-CG 3.4Å; I54-Q63 WeakPolarHBondContact O-CG 3.34Å; I54-Q63 PolarHBondContact O-NE2 3.29Å; I57-Q63 HydrophobicContact CB-CB 4.23Å; I57-Q63 HydrophobicContact CB-CG 4.42Å; I57-Q63 HydrophobicContact CG2-CB 4.26Å; I57-Q63 PolarHBondContact O-NE2 3.01Å; D59-Q63 VanDerWaalsContact O-CB 3.28Å; D59-Q63 WeakPolarHBondContact O-CB 3.39Å; D59-Q63 PolarHBondContact O-N 3.38Å; Q63-I66 PolarHBondContact O-N 3.4Å; Q63-R67 WeakPolarHBondContact O-CB 3.45Å; Q63-R67 PolarHBondContact O-N 3.39Å; Q63-R67 VanDerWaalsContact OE1-NH2 3.14Å
64N91.3Very high90.5Very high75 Ų7584.9 Ų84.940%0.40142%0.419SS..Hα-helixtrans-71.3-37-179.5-73.4-44.3000112.6L60 A61 L62 I66 R67 E68L60-N64 PolarHBondContact O-N 3.38Å; L60-N64 PolarHBondContact O-ND2 2.9Å; A61-N64 PolarHBondContact O-N 3.44Å; L62-N64 VanDerWaalsContact C-N 3.32Å; L62-N64 PolarHBondContact O-N 2.85Å; N64-I66 PolarHBondContact O-N 3.01Å; N64-R67 PolarHBondContact O-N 2.91Å; N64-R67 PolarHBondContact OD1-NH1 3.08Å; N64-R67 VanDerWaalsContact OD1-NH1 3.15Å; N64-E68 WeakPolarHBondContact O-CG 3.38Å; N64-E68 PolarHBondContact O-N 3.3Å
65Q93.3Very high89.6Confident120 Ų12088.9 Ų88.956%0.56144%0.44SS*.Hα-helixtrans-61.3-42.4173.9-72174.821.400112.3A61 L62 H69A61-Q65 WeakPolarHBondContact O-CG 3.29Å; A61-Q65 PolarHBondContact O-N 2.99Å; A61-Q65 VanDerWaalsContact O-N 3.11Å; L62-Q65 PolarHBondContact O-N 3.38Å; Q65-H69 PolarHBondContact O-CD2 3.13Å; Q65-H69 PolarHBondContact O-N 3.1Å; Q65-H69 VanDerWaalsContact O-N 3.14Å
66I92.8Very high88.8Confident55 Ų5585.1 Ų85.128%0.28243%0.43SS..Hα-helixtrans-69.7-38.9177.2-60.8167.8000110.5I54 I57 L62 Q63 N64 H69 V70I54-I66 HydrophobicContact CD1-CG2 3.81Å; I54-I66 HydrophobicContact CG1-CB 4.39Å; I54-I66 HydrophobicContact CG1-CG2 3.75Å; I57-I66 HydrophobicContact CD1-CD1 3.6Å; L62-I66 HydrophobicContact CD1-CD1 3.8Å; L62-I66 HydrophobicContact CD1-CG1 4.14Å; L62-I66 HydrophobicContact CG-CD1 3.8Å; L62-I66 HydrophobicContact CG-CG1 4.48Å; L62-I66 WeakPolarHBondContact O-CG1 3.49Å; L62-I66 PolarHBondContact O-N 2.81Å; Q63-I66 PolarHBondContact O-N 3.4Å; N64-I66 PolarHBondContact O-N 3.01Å; I66-H69 PolarHBondContact O-N 3.02Å; I66-V70 HydrophobicContact CG2-CG2 4.44Å; I66-V70 WeakPolarHBondContact O-CG2 3.35Å; I66-V70 PolarHBondContact O-N 3.26Å
67R92.2Very high87.7Confident57 Ų5780.9 Ų80.922%0.21542%0.417CS..Hα-helixtrans-58.9-47.6175.2-173.6175.2-78.4120.2-4.2112.1Y51 I54 Q63 N64 H69 V70 I71Y51-R67 HydrophobicContact CE1-CG 4.23Å; I54-R67 HydrophobicContact CG2-CB 4.34Å; Q63-R67 WeakPolarHBondContact O-CB 3.45Å; Q63-R67 PolarHBondContact O-N 3.39Å; Q63-R67 VanDerWaalsContact OE1-NH2 3.14Å; N64-R67 PolarHBondContact O-N 2.91Å; N64-R67 PolarHBondContact OD1-NH1 3.08Å; N64-R67 VanDerWaalsContact OD1-NH1 3.15Å; R67-H69 VanDerWaalsContact C-N 3.34Å; R67-H69 PolarHBondContact O-N 3.12Å; R67-V70 PolarHBondContact O-N 3.41Å; R67-I71 HydrophobicContact CG-CD1 4.07Å; R67-I71 VanDerWaalsContact O-CG1 3.31Å; R67-I71 WeakPolarHBondContact O-CG1 3.48Å; R67-I71 PolarHBondContact O-N 2.92Å
68E90.9Very high86.4Confident132 Ų13279.6 Ų79.662%0.61741%0.411SS*.Hα-helixtrans-58.1-42.9173.8-72.1-72139.600112.1N64 I71 S72N64-E68 WeakPolarHBondContact O-CG 3.38Å; N64-E68 PolarHBondContact O-N 3.3Å; E68-I71 PolarHBondContact O-N 3.4Å; E68-S72 WeakPolarHBondContact O-CB 3.29Å; E68-S72 PolarHBondContact O-N 3.04Å
69H91.5Very high84.9Confident128 Ų12872.9 Ų72.959%0.59338%0.382SS*.Hα-helixtrans-65.3-37.8176.2-73.5-44.6000113.1Q65 I66 R67 S72 I73Q65-H69 PolarHBondContact O-CD2 3.13Å; Q65-H69 PolarHBondContact O-N 3.1Å; Q65-H69 VanDerWaalsContact O-N 3.14Å; I66-H69 PolarHBondContact O-N 3.02Å; R67-H69 VanDerWaalsContact C-N 3.34Å; R67-H69 PolarHBondContact O-N 3.12Å; H69-S72 PolarHBondContact O-N 3.11Å; H69-I73 WeakPolarHBondContact O-CD1 3.43Å; H69-I73 VanDerWaalsContact O-CG1 3.25Å; H69-I73 WeakPolarHBondContact O-CG1 3.32Å; H69-I73 PolarHBondContact O-N 2.8Å
70V90Very high83.4Confident11 Ų1170.5 Ų70.57%0.06737%0.372CS..Hα-helixtrans-70.6-40.1176.6174.90000111.7I47 I50 Y51 I54 I66 R67 S72 I73 E74I47-V70 HydrophobicContact CG2-CG1 4.17Å; I50-V70 HydrophobicContact CG2-CG1 4.48Å; I50-V70 HydrophobicContact CG2-CG2 3.62Å; Y51-V70 HydrophobicContact CD1-CG1 4.44Å; Y51-V70 HydrophobicContact CE1-CB 4.2Å; Y51-V70 HydrophobicContact CE1-CG1 3.8Å; Y51-V70 HydrophobicContact CE2-CG1 4.16Å; I54-V70 HydrophobicContact CD1-CB 4.38Å; I54-V70 HydrophobicContact CD1-CG2 3.92Å; I66-V70 HydrophobicContact CG2-CG2 4.44Å; I66-V70 WeakPolarHBondContact O-CG2 3.35Å; I66-V70 PolarHBondContact O-N 3.26Å; R67-V70 PolarHBondContact O-N 3.41Å; V70-S72 VanDerWaalsContact C-N 3.32Å; V70-S72 PolarHBondContact O-N 3.46Å; V70-I73 WeakPolarHBondContact O-CB 3.35Å; V70-I73 PolarHBondContact O-N 3.15Å; V70-I73 VanDerWaalsContact O-N 3.16Å; V70-E74 PolarHBondContact O-N 3.32Å
71I85.6Confident81.5Confident70 Ų7069.6 Ų69.636%0.35937%0.365SS..Hα-helixtrans-58.6-46171.8-66.8164.3000110Y51 R67 E68 I73 E74 D75Y51-I71 WeakPolarHBondContact OH-CG1 3.24Å; R67-I71 HydrophobicContact CG-CD1 4.07Å; R67-I71 VanDerWaalsContact O-CG1 3.31Å; R67-I71 WeakPolarHBondContact O-CG1 3.48Å; R67-I71 PolarHBondContact O-N 2.92Å; E68-I71 PolarHBondContact O-N 3.4Å; I71-I73 VanDerWaalsContact C-N 3.29Å; I71-I73 PolarHBondContact O-N 3.13Å; I71-E74 PolarHBondContact O-N 3.44Å; I71-D75 PolarHBondContact O-N 2.86Å
72S84.7Confident79.7Confident67 Ų6774.5 Ų74.547%0.46938%0.378SS..Hα-helixtrans-63.7-31.6177.2-173.10000113.3E68 H69 V70 S76E68-S72 WeakPolarHBondContact O-CB 3.29Å; E68-S72 PolarHBondContact O-N 3.04Å; H69-S72 PolarHBondContact O-N 3.11Å; V70-S72 VanDerWaalsContact C-N 3.32Å; V70-S72 PolarHBondContact O-N 3.46Å; S72-S76 VanDerWaalsContact O-CB 3.3Å; S72-S76 WeakPolarHBondContact O-CB 3.44Å; S72-S76 PolarHBondContact O-N 3.2Å; S72-S76 PolarHBondContact O-OG 2.72Å
73I83.5Confident77.8Confident86 Ų8677.4 Ų77.444%0.44138%0.384SS..Hα-helixtrans-70.9-46.6172.1-74165.8000110.6H69 V70 I71 D75 S76 F77H69-I73 WeakPolarHBondContact O-CD1 3.43Å; H69-I73 VanDerWaalsContact O-CG1 3.25Å; H69-I73 WeakPolarHBondContact O-CG1 3.32Å; H69-I73 PolarHBondContact O-N 2.8Å; V70-I73 WeakPolarHBondContact O-CB 3.35Å; V70-I73 PolarHBondContact O-N 3.15Å; V70-I73 VanDerWaalsContact O-N 3.16Å; I71-I73 VanDerWaalsContact C-N 3.29Å; I71-I73 PolarHBondContact O-N 3.13Å; I73-D75 VanDerWaalsContact C-N 3.32Å; I73-D75 PolarHBondContact O-N 3.18Å; I73-S76 WeakPolarHBondContact O-CB 3.47Å; I73-S76 PolarHBondContact O-N 2.76Å; I73-F77 HydrophobicContact CG2-CD2 3.77Å; I73-F77 HydrophobicContact CG2-CE2 4.09Å; I73-F77 VanDerWaalsContact O-CD2 3.32Å; I73-F77 WeakPolarHBondContact O-CD2 3.06Å; I73-F77 PolarHBondContact O-N 3.45Å
74E79.6Confident75.9Confident38 Ų3877.6 Ų77.618%0.17839%0.386CS..Hα-helixtrans-58.8-43.9176-175.1151.3-143.500111H44 I47 V70 I71 S76 F77 V78 N79H44-E74 IonicContact CE1-OE1 2.68Å; H44-E74 IonicContact ND1-OE1 3.19Å; H44-E74 PolarHBondContact ND1-OE1 2.96Å; I47-E74 HydrophobicContact CD1-CB 4Å; I47-E74 HydrophobicContact CD1-CG 3.94Å; V70-E74 PolarHBondContact O-N 3.32Å; I71-E74 PolarHBondContact O-N 3.44Å; E74-S76 VanDerWaalsContact C-N 3.33Å; E74-S76 PolarHBondContact O-N 3.4Å; E74-F77 PolarHBondContact O-N 3.45Å; E74-V78 HydrophobicContact CG-CB 4.21Å; E74-V78 HydrophobicContact CG-CG2 3.89Å; E74-V78 WeakPolarHBondContact O-CA 3.05Å; E74-V78 VanDerWaalsContact O-CB 3.28Å; E74-V78 WeakPolarHBondContact O-CB 3.35Å; E74-V78 PolarHBondContact O-N 2.95Å; E74-N79 PolarHBondContact O-N 3.04Å
75D73.7Confident74Confident87 Ų8780 Ų8047%0.46540%0.399SS..Hα-helixtrans-59.3-42.2171.7-97.8-29.6000112.7I71 I73 F77 N79 S80I71-D75 PolarHBondContact O-N 2.86Å; I73-D75 VanDerWaalsContact C-N 3.32Å; I73-D75 PolarHBondContact O-N 3.18Å; D75-F77 PolarHBondContact O-N 2.72Å; D75-N79 CarbonylContact O-C 3.54Å; D75-N79 WeakPolarHBondContact O-CA 3.34Å; D75-N79 VanDerWaalsContact O-CB 3.26Å; D75-N79 WeakPolarHBondContact O-CB 3.21Å; D75-N79 PolarHBondContact O-N 2.83Å; D75-N79 PolarHBondContact OD1-ND2 2.83Å; D75-S80 PolarHBondContact O-N 3.39Å
76S72.6Confident72.1Confident62 Ų6276.3 Ų76.343%0.43439%0.386SS..Hα-helixtrans-70.2-28.2-178.8-63.30000113.8S72 I73 E74 S80S72-S76 VanDerWaalsContact O-CB 3.3Å; S72-S76 WeakPolarHBondContact O-CB 3.44Å; S72-S76 PolarHBondContact O-N 3.2Å; S72-S76 PolarHBondContact O-OG 2.72Å; I73-S76 WeakPolarHBondContact O-CB 3.47Å; I73-S76 PolarHBondContact O-N 2.76Å; E74-S76 VanDerWaalsContact C-N 3.33Å; E74-S76 PolarHBondContact O-N 3.4Å; S76-S80 WeakPolarHBondContact O-CB 3.46Å
77F70.2Confident70.6Confident111 Ų11185.5 Ų85.549%0.48742%0.417SS..Hα-helixtrans-107.3-44.2-176-76.5-76000114.4I73 E74 D75I73-F77 HydrophobicContact CG2-CD2 3.77Å; I73-F77 HydrophobicContact CG2-CE2 4.09Å; I73-F77 VanDerWaalsContact O-CD2 3.32Å; I73-F77 WeakPolarHBondContact O-CD2 3.06Å; I73-F77 PolarHBondContact O-N 3.45Å; E74-F77 PolarHBondContact O-N 3.45Å; D75-F77 PolarHBondContact O-N 2.72Å
78V66Low69.4Low15 Ų1587 Ų879%0.09144%0.436CS..THydrogen-bonded Turntrans-83.7-40.3179.8-176.60000110.5F40 I47 E74F40-V78 HydrophobicContact CE2-CG1 4.08Å; F40-V78 HydrophobicContact CZ-CG1 3.96Å; I47-V78 HydrophobicContact CD1-CG2 4.27Å; E74-V78 HydrophobicContact CG-CB 4.21Å; E74-V78 HydrophobicContact CG-CG2 3.89Å; E74-V78 WeakPolarHBondContact O-CA 3.05Å; E74-V78 VanDerWaalsContact O-CB 3.28Å; E74-V78 WeakPolarHBondContact O-CB 3.35Å; E74-V78 PolarHBondContact O-N 2.95Å
79N60Low68.7Low57 Ų5781.6 Ų81.631%0.30541%0.412SS..SBendtrans-91.8-3.5-177.9-71.6-39.6000114.8E74 D75 R126E74-N79 PolarHBondContact O-N 3.04Å; D75-N79 CarbonylContact O-C 3.54Å; D75-N79 WeakPolarHBondContact O-CA 3.34Å; D75-N79 VanDerWaalsContact O-CB 3.26Å; D75-N79 WeakPolarHBondContact O-CB 3.21Å; D75-N79 PolarHBondContact O-N 2.83Å; D75-N79 PolarHBondContact OD1-ND2 2.83Å; N79-R126 VanDerWaalsContact CB-NH2 3.33Å; N79-R126 VanDerWaalsContact O-CZ 3.26Å; N79-R126 PolarHBondContact O-NH1 3.14Å; N79-R126 PolarHBondContact O-NH2 2.97Å; N79-R126 VanDerWaalsContact OD1-CD 3.26Å; N79-R126 WeakPolarHBondContact OD1-CD 3.36Å; N79-R126 PolarHBondContact OD1-NE 2.94Å; N79-R126 PolarHBondContact OD1-NH2 3.22Å
80S61.9Low68.3Low38 Ų3877.4 Ų77.427%0.26640%0.396SS..  trans-83.2141.1171.5-175.10000113.5D75 S76 E82D75-S80 PolarHBondContact O-N 3.39Å; S76-S80 WeakPolarHBondContact O-CB 3.46Å; S80-E82 PolarHBondContact OG-N 3.3Å
81Q54.3Low68.2Low96 Ų9678.8 Ų78.845%0.44940%0.402SS..SBendtrans-83.4-21.5172.2-78.1-174.684.300113.7W83 W156Q81-W83 PolarHBondContact O-N 2.85Å; Q81-W83 VanDerWaalsContact O-N 3.13Å; Q81-W156 VanDerWaalsContact OE1-NE1 3.13Å
82E53.3Low68.6Low160 Ų16075.4 Ų75.475%0.74839%0.385SS*.THydrogen-bonded Turntrans-80.2-4.4-155.8-55.6-16614100113.8S80S80-E82 PolarHBondContact OG-N 3.3Å
83W53.6Low69Low135 Ų13574 Ų7451%0.51137%0.37SS..THydrogen-bonded Turntrans-108.46.5-169.8-61.180.7000114.5R39 Q81 L85R39-W83 PolarHBondContact NH2-O 3.16Å; Q81-W83 PolarHBondContact O-N 2.85Å; Q81-W83 VanDerWaalsContact O-N 3.13Å; W83-L85 PolarHBondContact O-N 3.03Å
84T53.5Low69.5Low29 Ų2970 Ų7018%0.17835%0.35CS..  trans-75.148.2170.9520000112.2S86 E91T84-S86 VanDerWaalsContact C-N 3.32Å; T84-S86 PolarHBondContact O-N 3.38Å; T84-E91 WeakPolarHBondContact CB-OE1 3.3Å; T84-E91 PolarHBondContact OG1-OE1 3.33Å
85L51.3Low70.3Confident127 Ų12768.2 Ų68.267%0.66534%0.341SS*.  trans-75.768.4-161.5-89.4165.7000115.5W83W83-L85 PolarHBondContact O-N 3.03Å
86S52.7Low71.4Confident41 Ų4164 Ų6429%0.28732%0.319SS..  trans-133.3108.3141.570.40000110.1T84 S88 V89T84-S86 VanDerWaalsContact C-N 3.32Å; T84-S86 PolarHBondContact O-N 3.38Å; S86-S88 PolarHBondContact O-N 2.99Å; S86-V89 PolarHBondContact O-N 3.14Å; S86-V89 VanDerWaalsContact OG-CG2 3.3Å; S86-V89 WeakPolarHBondContact OG-CG2 3.22Å
87R62Low72.5Confident249 Ų24961.1 Ų61.194%0.9430%0.298SS*.THydrogen-bonded Turntrans-66.12.1-178.5-66.2-173.8176.6-138.7-0.9114.2
88S67.3Low73.6Confident87 Ų8755.8 Ų55.861%0.60828%0.275SS*.THydrogen-bonded Turntrans-95.4-19179.145.90000114.1S86S86-S88 PolarHBondContact O-N 2.99Å
89V74.6Confident74.9Confident20 Ų2056 Ų5612%0.12128%0.276CS..SBendtrans-86.7130.6-177.8165.80000110.7A32 I33 S86 E91 L139A32-V89 HydrophobicContact CB-CG2 3.84Å; I33-V89 HydrophobicContact CD1-CG1 4.12Å; I33-V89 HydrophobicContact CG1-CB 4.47Å; I33-V89 HydrophobicContact CG1-CG1 3.5Å; I33-V89 VanDerWaalsContact CG1-CG1 3.5Å; I33-V89 HydrophobicContact CG1-CG2 4.08Å; S86-V89 PolarHBondContact O-N 3.14Å; S86-V89 VanDerWaalsContact OG-CG2 3.3Å; S86-V89 WeakPolarHBondContact OG-CG2 3.22Å; V89-E91 PolarHBondContact O-N 3.22Å; V89-L139 HydrophobicContact CG1-CB 3.68Å; V89-L139 HydrophobicContact CG1-CD2 4.44Å
90P84.4Confident76.4Confident39 Ų3957.6 Ų57.625%0.25328%0.284SS..  trans-81.4114.4177.332.6-33.3000111.1Y138 L139P90-Y138 HydrophobicContact CB-CD1 3.62Å; P90-Y138 HydrophobicContact CB-CE1 3.73Å; P90-Y138 HydrophobicContact CG-CD1 3.74Å; P90-Y138 HydrophobicContact CG-CE1 3.97Å; P90-Y138 HydrophobicContact CG-CG 4.26Å; P90-Y138 WeakPolarHBondContact O-CA 3.49Å; P90-Y138 WeakPolarHBondContact O-CB 3.45Å; P90-Y138 WeakPolarHBondContact O-CD1 3.34Å; P90-L139 PolarHBondContact O-N 2.88Å
91E87.9Confident77.8Confident40 Ų4058.6 Ų58.619%0.18729%0.291CS..EExtended strand (participates in β ladder)trans-84.9151.2177.5-58.9-174.9154.800112.8T84 V89 K93 L139 L141 R253T84-E91 WeakPolarHBondContact CB-OE1 3.3Å; T84-E91 PolarHBondContact OG1-OE1 3.33Å; V89-E91 PolarHBondContact O-N 3.22Å; E91-K93 WeakPolarHBondContact OE2-CE 3.48Å; E91-K93 IonicContact OE2-NZ 3.92Å; E91-K93 PolarHBondContact OE2-NZ 3.01Å; E91-L139 CarbonylContact C-O 3.54Å; E91-L139 WeakPolarHBondContact CA-O 3.4Å; E91-L139 HydrophobicContact CG-CD2 4.4Å; E91-L141 HydrophobicContact CB-CD1 4.36Å; E91-L141 HydrophobicContact CG-CD1 4.3Å; E91-R253 VanDerWaalsContact O-CZ 3.28Å; E91-R253 PolarHBondContact O-NH1 3.09Å; E91-R253 PolarHBondContact O-NH2 2.97Å
92L92.7Very high79.6Confident0 Ų054 Ų540%027%0.269CS..EExtended strand (participates in β ladder)trans-128.9121.2167.4-60.1172.9000109I131 Y138 L139 L140 L141 A246 V249 V250L92-I131 HydrophobicContact CD1-CG2 3.97Å; L92-Y138 HydrophobicContact CD1-CD1 3.95Å; L92-Y138 HydrophobicContact CD1-CD2 4.39Å; L92-Y138 HydrophobicContact CD1-CG 3.74Å; L92-Y138 HydrophobicContact CD2-CD1 3.96Å; L92-Y138 HydrophobicContact CD2-CE1 4.39Å; L92-Y138 HydrophobicContact CG-CD1 3.78Å; L92-Y138 HydrophobicContact CG-CG 4.03Å; L92-L139 PolarHBondContact N-O 2.89Å; L92-L140 HydrophobicContact CB-CD1 4Å; L92-L141 PolarHBondContact O-N 3.36Å; L92-A246 HydrophobicContact CD1-CB 3.92Å; L92-V249 HydrophobicContact CD2-CB 4.11Å; L92-V249 HydrophobicContact CD2-CG1 3.5Å; L92-V249 VanDerWaalsContact CD2-CG1 3.5Å; L92-V250 HydrophobicContact CD1-CG2 4.29Å; L92-V250 HydrophobicContact CD2-CG2 3.98Å
93K93.2Very high81.6Confident38 Ų3846.8 Ų46.817%0.16524%0.238CC..EExtended strand (participates in β ladder)trans-102.7110.5-174.2-67.1172.4176.5-176.90110.9E91 L141 W156 D158 A159E91-K93 WeakPolarHBondContact OE2-CE 3.48Å; E91-K93 IonicContact OE2-NZ 3.92Å; E91-K93 PolarHBondContact OE2-NZ 3.01Å; K93-L141 HydrophobicContact CG-CB 4.33Å; K93-L141 HydrophobicContact CG-CD1 4.05Å; K93-W156 HydrophobicContact CB-CD2 4.2Å; K93-W156 HydrophobicContact CB-CE3 4.26Å; K93-W156 HydrophobicContact CB-CH2 3.91Å; K93-W156 HydrophobicContact CB-CZ2 3.86Å; K93-W156 HydrophobicContact CB-CZ3 4.1Å; K93-W156 HydrophobicContact CD-CD2 4.36Å; K93-W156 HydrophobicContact CD-CG 4.48Å; K93-W156 HydrophobicContact CD-CZ2 4.18Å; K93-W156 WeakPolarHBondContact CD-O 3.46Å; K93-W156 HydrophobicContact CG-CD2 4.48Å; K93-W156 HydrophobicContact CG-CH2 4.25Å; K93-W156 HydrophobicContact CG-CZ2 3.72Å; K93-D158 WeakPolarHBondContact CB-OD2 3.36Å; K93-D158 PolarHBondContact N-OD2 2.69Å; K93-D158 WeakPolarHBondContact O-CA 3.29Å; K93-D158 WeakPolarHBondContact O-CB 3.45Å; K93-D158 PolarHBondContact O-N 3.32Å; K93-A159 PolarHBondContact O-N 2.67Å
94V95.6Very high83.5Confident1 Ų140.4 Ų40.41%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-116.8121.9-176.6177.70000110.6I96 L140 L141 I142 R143 A159 V161 V245V94-I96 HydrophobicContact CG1-CD1 3.86Å; V94-L140 HydrophobicContact CB-CD1 4.27Å; V94-L140 HydrophobicContact CG2-CD1 3.6Å; V94-L141 PolarHBondContact N-O 3.04Å; V94-I142 WeakPolarHBondContact O-CA 3.4Å; V94-R143 PolarHBondContact O-N 3.5Å; V94-A159 WeakPolarHBondContact CA-O 3.4Å; V94-V161 HydrophobicContact CG1-CG2 4.11Å; V94-V245 HydrophobicContact CB-CG1 4.37Å; V94-V245 HydrophobicContact CG1-CG1 3.89Å; V94-V245 HydrophobicContact CG2-CG1 3.49Å; V94-V245 VanDerWaalsContact CG2-CG1 3.49Å
95G95.2Very high85.4Confident0 Ų039.4 Ų39.40%021%0.208CC..EExtended strand (participates in β ladder)trans-95.4136.7173.400000112.2R143 A159 V160 V161G95-R143 CarbonylContact C-O 3.48Å; G95-R143 WeakPolarHBondContact CA-O 3.38Å; G95-A159 PolarHBondContact N-O 3.34Å; G95-V160 CarbonylContact O-C 3.41Å; G95-V160 WeakPolarHBondContact O-CA 3.5Å; G95-V161 PolarHBondContact O-N 3.12Å
96I96.3Very high87.5Confident0 Ų033.6 Ų33.60%018%0.179CC..EExtended strand (participates in β ladder)trans-111.9127176.1-45.3-61.9000107.9V94 K104 V108 I142 R143 E145 V161 V163 F242V94-I96 HydrophobicContact CG1-CD1 3.86Å; I96-K104 HydrophobicContact CG2-CB 4.24Å; I96-V108 HydrophobicContact CB-CG2 4.3Å; I96-V108 HydrophobicContact CG1-CG2 3.73Å; I96-V108 HydrophobicContact CG2-CG2 4.19Å; I96-I142 HydrophobicContact CD1-CG2 4.33Å; I96-I142 HydrophobicContact CG1-CG2 3.73Å; I96-R143 PolarHBondContact N-O 2.95Å; I96-E145 PolarHBondContact O-N 3.33Å; I96-V161 HydrophobicContact CD1-CB 3.71Å; I96-V161 HydrophobicContact CD1-CG2 3.7Å; I96-V163 HydrophobicContact CG2-CG2 3.63Å; I96-F242 HydrophobicContact CD1-CE1 3.91Å; I96-F242 HydrophobicContact CD1-CZ 4.21Å
97V95.7Very high89.5Confident0 Ų031.7 Ų31.70%017%0.165CC..EExtended strand (participates in β ladder)trans-137113.9-164.7175.20000110.2P149 F153 V160 V161 F162 V163 Y178V97-P149 HydrophobicContact CG1-CG 4.3Å; V97-F153 HydrophobicContact CG2-CE1 3.67Å; V97-F153 HydrophobicContact CG2-CE2 4.2Å; V97-F153 HydrophobicContact CG2-CZ 3.3Å; V97-V160 HydrophobicContact CB-CG1 4.17Å; V97-V160 HydrophobicContact CG2-CG1 3.83Å; V97-V161 PolarHBondContact N-O 3.23Å; V97-F162 HydrophobicContact CB-CD1 4.12Å; V97-F162 HydrophobicContact CB-CE1 4.24Å; V97-F162 HydrophobicContact CG1-CD1 3.85Å; V97-F162 HydrophobicContact CG1-CE1 3.75Å; V97-F162 CarbonylContact O-C 3.59Å; V97-F162 WeakPolarHBondContact O-CA 3.23Å; V97-V163 PolarHBondContact O-N 3.39Å; V97-Y178 HydrophobicContact CG1-CD2 3.55Å; V97-Y178 HydrophobicContact CG1-CE2 4.47Å; V97-Y178 HydrophobicContact CG1-CG 4.21Å
98G94.5Very high91.1Very high0 Ų019.9 Ų19.90%012%0.121CC..  trans-162.5179.6178.400000110.6V163 Y178G98-V163 WeakPolarHBondContact CA-O 3.28Å; G98-Y178 WeakPolarHBondContact O-CE2 3.28Å
99N92.6Very high92.3Very high19 Ų1918.5 Ų18.510%0.10211%0.105CC..  trans-87.4174.216870.9-18.7000111S101 S102 D168 S171 T174N99-S101 PolarHBondContact ND2-OG 3.34Å; N99-S101 PolarHBondContact O-N 2.86Å; N99-S101 VanDerWaalsContact O-N 3.11Å; N99-S101 PolarHBondContact OD1-OG 2.96Å; N99-S102 VanDerWaalsContact O-CB 3.32Å; N99-S102 WeakPolarHBondContact O-CB 3.42Å; N99-S102 PolarHBondContact O-N 2.85Å; N99-S102 PolarHBondContact O-OG 3.23Å; N99-S102 WeakPolarHBondContact OD1-CB 3.36Å; N99-S102 PolarHBondContact OD1-N 3.21Å; N99-D168 PolarHBondContact ND2-OD2 2.98Å; N99-S171 VanDerWaalsContact ND2-CA 3.33Å; N99-S171 WeakPolarHBondContact ND2-CA 3.47Å; N99-S171 PolarHBondContact ND2-N 2.96Å; N99-S171 WeakPolarHBondContact OD1-CA 3.13Å; N99-S171 WeakPolarHBondContact OD1-CB 3.38Å; N99-T174 HydrophobicContact CB-CG2 4.18Å
100L91.6Very high93.2Very high90 Ų9020.3 Ų20.347%0.47111%0.109SC..THydrogen-bonded Turntrans-64.2-13.3-177.8-56.5-177000114.9E120 P122L100-E120 VanDerWaalsContact O-CG 3.29Å; L100-E120 WeakPolarHBondContact O-CG 3.33Å; L100-P122 HydrophobicContact CD1-CB 4.49Å; L100-P122 HydrophobicContact CD2-CB 4.4Å
101S90.9Very high93.8Very high59 Ų5918.6 Ų18.641%0.41310%0.098SC..THydrogen-bonded Turntrans-104.510176.147.40000113.4N99 S165 D168N99-S101 PolarHBondContact ND2-OG 3.34Å; N99-S101 PolarHBondContact O-N 2.86Å; N99-S101 VanDerWaalsContact O-N 3.11Å; N99-S101 PolarHBondContact OD1-OG 2.96Å; S101-S165 WeakPolarHBondContact O-CB 3.49Å; S101-D168 PolarHBondContact OG-OD2 3.38Å
102S93.8Very high94Very high0 Ų019 Ų190%010%0.101CC..SBendtrans-82.4-10.9-172.360.30000115.6N99 K104 V163 F164 T198N99-S102 VanDerWaalsContact O-CB 3.32Å; N99-S102 WeakPolarHBondContact O-CB 3.42Å; N99-S102 PolarHBondContact O-N 2.85Å; N99-S102 PolarHBondContact O-OG 3.23Å; N99-S102 WeakPolarHBondContact OD1-CB 3.36Å; N99-S102 PolarHBondContact OD1-N 3.21Å; S102-K104 VanDerWaalsContact C-N 3.35Å; S102-K104 WeakPolarHBondContact OG-CB 3.27Å; S102-K104 WeakPolarHBondContact OG-CG 3.27Å; S102-V163 WeakPolarHBondContact CB-O 3.39Å; S102-V163 WeakPolarHBondContact O-CG1 3.37Å; S102-F164 CarbonylContact O-C 3.57Å; S102-T198 VanDerWaalsContact O-CG2 3.25Å; S102-T198 WeakPolarHBondContact O-CG2 3.36Å; S102-T198 PolarHBondContact O-OG1 3.23Å
103G93.3Very high93.9Very high9 Ų922.7 Ų22.79%0.09312%0.123CC..SBendtrans78.118.8-16900000112.9L107 E120G103-L107 WeakPolarHBondContact O-CB 3.3Å; G103-L107 PolarHBondContact O-N 3.14Å; G103-E120 WeakPolarHBondContact CA-OE1 3.41Å; G103-E120 PolarHBondContact N-OE1 2.82Å
104K94.7Very high93.8Very high0 Ų022.7 Ų22.70%014%0.135CC..Hα-helixtrans-68.5-48.5-171.257.6171.5-160.459.20112.1I96 S102 L107 V108 E120 S121 D144 E145 V163I96-K104 HydrophobicContact CG2-CB 4.24Å; S102-K104 VanDerWaalsContact C-N 3.35Å; S102-K104 WeakPolarHBondContact OG-CB 3.27Å; S102-K104 WeakPolarHBondContact OG-CG 3.27Å; K104-L107 PolarHBondContact O-N 3.42Å; K104-V108 WeakPolarHBondContact O-CG2 3.49Å; K104-V108 PolarHBondContact O-N 3.46Å; K104-V108 VanDerWaalsContact O-N 3.13Å; K104-E120 VanDerWaalsContact CG-OE2 3.23Å; K104-E120 WeakPolarHBondContact CG-OE2 3.3Å; K104-E120 PolarHBondContact N-OE1 3.2Å; K104-E120 IonicContact NZ-OE2 2.66Å; K104-S121 PolarHBondContact NZ-O 3.01Å; K104-S121 VanDerWaalsContact NZ-O 3.14Å; K104-D144 VanDerWaalsContact CD-OD1 3.25Å; K104-D144 WeakPolarHBondContact CD-OD1 3.4Å; K104-D144 WeakPolarHBondContact CE-OD1 3.47Å; K104-D144 VanDerWaalsContact NZ-CG 3.26Å; K104-D144 IonicContact NZ-OD1 3.86Å; K104-D144 PolarHBondContact NZ-OD1 3.46Å; K104-D144 IonicContact NZ-OD2 2.77Å; K104-D144 PolarHBondContact NZ-OD2 3.45Å; K104-E145 WeakPolarHBondContact CE-O 3.39Å; K104-V163 HydrophobicContact CB-CB 4.28Å; K104-V163 HydrophobicContact CB-CG1 4.43Å; K104-V163 HydrophobicContact CB-CG2 4.39Å
105S93.8Very high93.4Very high8 Ų826.3 Ų26.36%0.05616%0.157CC..Hα-helixtrans-75-36.5-177.5-54.50000110.2L107 V108 H109 E120 S121 D144S105-L107 PolarHBondContact O-N 3.4Å; S105-V108 PolarHBondContact O-N 2.92Å; S105-H109 VanDerWaalsContact O-CB 3.32Å; S105-H109 WeakPolarHBondContact O-CB 3.42Å; S105-H109 PolarHBondContact O-N 3.48Å; S105-E120 WeakPolarHBondContact CB-OE2 3.4Å; S105-E120 PolarHBondContact N-OE2 2.83Å; S105-E120 VanDerWaalsContact N-OE2 3.09Å; S105-E120 PolarHBondContact OG-OE2 2.75Å; S105-S121 PolarHBondContact OG-N 2.96Å; S105-S121 VanDerWaalsContact OG-N 3.11Å; S105-D144 WeakPolarHBondContact CB-OD2 3.39Å; S105-D144 PolarHBondContact OG-OD2 2.94Å
106A93.8Very high93.1Very high6 Ų629.3 Ų29.35%0.0517%0.168CC..Hα-helixtrans-60.8-39.4171.700000113R110 Y116 A232A106-R110 VanDerWaalsContact O-CB 3.26Å; A106-R110 WeakPolarHBondContact O-CB 3.3Å; A106-R110 PolarHBondContact O-N 2.55Å; A106-Y116 HydrophobicContact CB-CD2 4.48Å; A106-Y116 HydrophobicContact CB-CE2 4.12Å; A106-A232 HydrophobicContact CB-CB 4.08Å; A106-A232 WeakPolarHBondContact O-CB 3.26Å
107L95.5Very high92.5Very high0 Ų031.7 Ų31.70%018%0.183CC..Hα-helixtrans-63.9-42.9174.4176.367.2000112.1G103 K104 S105 Y111 V163 V196 T230 V238 F242G103-L107 WeakPolarHBondContact O-CB 3.3Å; G103-L107 PolarHBondContact O-N 3.14Å; K104-L107 PolarHBondContact O-N 3.42Å; S105-L107 PolarHBondContact O-N 3.4Å; L107-Y111 PolarHBondContact O-N 2.92Å; L107-Y111 VanDerWaalsContact O-N 3.17Å; L107-V163 HydrophobicContact CD2-CG1 4.32Å; L107-V163 HydrophobicContact CD2-CG2 4.06Å; L107-V196 HydrophobicContact CD2-CG1 3.98Å; L107-T230 HydrophobicContact CD1-CG2 4.18Å; L107-V238 HydrophobicContact CD1-CB 4.31Å; L107-V238 HydrophobicContact CD1-CG1 4Å; L107-V238 HydrophobicContact CD1-CG2 3.9Å; L107-F242 HydrophobicContact CG-CE2 4.42Å
108V95Very high91.8Very high1 Ų139 Ų391%0.00622%0.217CC..Hα-helixtrans-68.6-48.8177.5173.40000111I96 K104 S105 R110 Y111 L112 F127 I142 F242I96-V108 HydrophobicContact CB-CG2 4.3Å; I96-V108 HydrophobicContact CG1-CG2 3.73Å; I96-V108 HydrophobicContact CG2-CG2 4.19Å; K104-V108 WeakPolarHBondContact O-CG2 3.49Å; K104-V108 PolarHBondContact O-N 3.46Å; K104-V108 VanDerWaalsContact O-N 3.13Å; S105-V108 PolarHBondContact O-N 2.92Å; V108-R110 VanDerWaalsContact C-N 3.34Å; V108-R110 PolarHBondContact O-N 3.15Å; V108-Y111 WeakPolarHBondContact O-CB 3.5Å; V108-Y111 PolarHBondContact O-N 3.44Å; V108-Y111 VanDerWaalsContact O-N 3.11Å; V108-L112 HydrophobicContact CG1-CD1 3.71Å; V108-L112 HydrophobicContact CG1-CG 4.37Å; V108-L112 WeakPolarHBondContact O-CG 3.37Å; V108-L112 PolarHBondContact O-N 3.4Å; V108-F127 HydrophobicContact CG1-CD2 3.56Å; V108-F127 HydrophobicContact CG1-CE2 3.59Å; V108-F127 HydrophobicContact CG1-CG 4.25Å; V108-F127 HydrophobicContact CG1-CZ 4.3Å; V108-I142 HydrophobicContact CG1-CG2 4.12Å; V108-I142 HydrophobicContact CG2-CG2 4.25Å; V108-F242 HydrophobicContact CG2-CZ 4.31Å
109H92.6Very high90.7Very high59 Ų5945.8 Ų45.827%0.27325%0.248SC..Hα-helixtrans-55.3-49.3175.8-175.4-88.6000110.9S105 Y111 L112 T113 T115 V117S105-H109 VanDerWaalsContact O-CB 3.32Å; S105-H109 WeakPolarHBondContact O-CB 3.42Å; S105-H109 PolarHBondContact O-N 3.48Å; H109-Y111 PolarHBondContact O-N 3.17Å; H109-L112 PolarHBondContact O-N 3.09Å; H109-T113 PolarHBondContact CE1-OG1 2.89Å; H109-T113 PolarHBondContact ND1-OG1 2.76Å; H109-T113 PolarHBondContact O-N 3.38Å; H109-T113 PolarHBondContact O-OG1 2.84Å; H109-T115 PolarHBondContact CE1-OG1 2.85Å; H109-T115 VanDerWaalsContact CE1-OG1 3.31Å; H109-T115 PolarHBondContact ND1-O 2.93Å; H109-T115 VanDerWaalsContact ND1-O 3.1Å; H109-V117 WeakPolarHBondContact CE1-CG2 3.37Å
110R94.5Very high89.8Confident57 Ų5747.7 Ų47.722%0.21526%0.257CS..Hα-helixtrans-60.8-33.4179-175.763.3-174.1-12824.8113.2A106 V108 G114 T115 A232 T233 V238A106-R110 VanDerWaalsContact O-CB 3.26Å; A106-R110 WeakPolarHBondContact O-CB 3.3Å; A106-R110 PolarHBondContact O-N 2.55Å; V108-R110 VanDerWaalsContact C-N 3.34Å; V108-R110 PolarHBondContact O-N 3.15Å; R110-G114 WeakPolarHBondContact CD-O 3.47Å; R110-G114 PolarHBondContact NE-O 2.84Å; R110-G114 PolarHBondContact NH2-O 2.81Å; R110-G114 VanDerWaalsContact O-CA 3.29Å; R110-G114 WeakPolarHBondContact O-CA 3.17Å; R110-G114 PolarHBondContact O-N 3.41Å; R110-G114 VanDerWaalsContact O-N 3.16Å; R110-T115 WeakPolarHBondContact CA-O 3.43Å; R110-T115 VanDerWaalsContact CD-C 3.45Å; R110-T115 VanDerWaalsContact CD-O 3.24Å; R110-T115 WeakPolarHBondContact CD-O 3.31Å; R110-A232 HydrophobicContact CB-CB 3.94Å; R110-A232 WeakPolarHBondContact CD-O 3.32Å; R110-A232 HydrophobicContact CG-CB 4.38Å; R110-A232 VanDerWaalsContact CG-O 3.26Å; R110-A232 WeakPolarHBondContact CG-O 3.5Å; R110-A232 PolarHBondContact NH1-O 2.87Å; R110-T233 VanDerWaalsContact NH1-C 3.25Å; R110-T233 PolarHBondContact NH1-O 3.16Å; R110-V238 HydrophobicContact CG-CG1 4.44Å; R110-V238 HydrophobicContact CG-CG2 4.24Å
111Y96.1Very high89.1Confident4 Ų445.5 Ų45.52%0.01625%0.249CC..Hα-helixtrans-69.7-41.1173.6176.6-110.6000112.1L107 V108 H109 K129 L140 I142 V238 E239 F242L107-Y111 PolarHBondContact O-N 2.92Å; L107-Y111 VanDerWaalsContact O-N 3.17Å; V108-Y111 WeakPolarHBondContact O-CB 3.5Å; V108-Y111 PolarHBondContact O-N 3.44Å; V108-Y111 VanDerWaalsContact O-N 3.11Å; H109-Y111 PolarHBondContact O-N 3.17Å; Y111-K129 HydrophobicContact CD1-CD 4.11Å; Y111-K129 HydrophobicContact CE1-CD 3.58Å; Y111-K129 HydrophobicContact CE1-CG 4.45Å; Y111-K129 VanDerWaalsContact CZ-NZ 3.29Å; Y111-K129 PolarHBondContact O-NZ 2.97Å; Y111-L140 HydrophobicContact CE1-CD2 3.71Å; Y111-L140 WeakPolarHBondContact OH-CD2 3.31Å; Y111-I142 HydrophobicContact CD1-CD1 3.77Å; Y111-I142 HydrophobicContact CE1-CD1 3.81Å; Y111-V238 HydrophobicContact CD2-CG1 4.44Å; Y111-E239 HydrophobicContact CD2-CG 4.45Å; Y111-E239 VanDerWaalsContact CD2-OE1 3.32Å; Y111-E239 WeakPolarHBondContact CD2-OE1 3.36Å; Y111-E239 VanDerWaalsContact CE2-CD 3.47Å; Y111-E239 VanDerWaalsContact CE2-OE1 3.28Å; Y111-E239 WeakPolarHBondContact CE2-OE1 3.46Å; Y111-E239 WeakPolarHBondContact CE2-OE2 3.27Å; Y111-F242 VanDerWaalsContact CB-CE2 3.47Å; Y111-F242 HydrophobicContact CD1-CB 4.5Å; Y111-F242 AromaticContact CD1-CD1 3.9Å; Y111-F242 HydrophobicContact CD1-CD1 3.9Å; Y111-F242 AromaticContact CD1-CD2 3.82Å; Y111-F242 HydrophobicContact CD1-CD2 3.82Å; Y111-F242 HydrophobicContact CD1-CE1 4.02Å; Y111-F242 AromaticContact CD1-CE2 3.96Å; Y111-F242 HydrophobicContact CD1-CE2 3.96Å; Y111-F242 AromaticContact CD1-CG 3.8Å; Y111-F242 HydrophobicContact CD1-CG 3.8Å; Y111-F242 HydrophobicContact CD1-CZ 4.05Å; Y111-F242 HydrophobicContact CD2-CB 3.98Å; Y111-F242 AromaticContact CD2-CD2 3.36Å; Y111-F242 HydrophobicContact CD2-CD2 3.36Å; Y111-F242 HydrophobicContact CD2-CE2 4.01Å; Y111-F242 AromaticContact CD2-CG 3.75Å; Y111-F242 HydrophobicContact CD2-CG 3.75Å; Y111-F242 HydrophobicContact CE1-CB 4.07Å; Y111-F242 AromaticContact CE1-CD1 3.87Å; Y111-F242 HydrophobicContact CE1-CD1 3.87Å; Y111-F242 HydrophobicContact CE1-CD2 4.25Å; Y111-F242 HydrophobicContact CE1-CE1 4.38Å; Y111-F242 AromaticContact CE1-CG 3.79Å; Y111-F242 HydrophobicContact CE1-CG 3.79Å; Y111-F242 HydrophobicContact CE2-CB 3.48Å; Y111-F242 VanDerWaalsContact CE2-CB 3.48Å; Y111-F242 AromaticContact CE2-CD2 3.83Å; Y111-F242 HydrophobicContact CE2-CD2 3.83Å; Y111-F242 AromaticContact CE2-CG 3.73Å; Y111-F242 HydrophobicContact CE2-CG 3.73Å; Y111-F242 HydrophobicContact CG-CB 4.46Å; Y111-F242 HydrophobicContact CG-CD1 4.29Å; Y111-F242 AromaticContact CG-CD2 3.35Å; Y111-F242 HydrophobicContact CG-CD2 3.35Å; Y111-F242 HydrophobicContact CG-CE1 4.43Å; Y111-F242 AromaticContact CG-CE2 3.53Å; Y111-F242 HydrophobicContact CG-CE2 3.53Å; Y111-F242 AromaticContact CG-CG 3.78Å; Y111-F242 HydrophobicContact CG-CG 3.78Å; Y111-F242 HydrophobicContact CG-CZ 4.08Å; Y111-F242 AromaticContact CZ-CG 3.76Å
112L92.8Very high88.4Confident49 Ų4946.9 Ų46.926%0.25726%0.256SS..Hα-helixtrans-72.8-53.9-177.4-66.3166.8000112.4V108 H109 F127 K129 I142V108-L112 HydrophobicContact CG1-CD1 3.71Å; V108-L112 HydrophobicContact CG1-CG 4.37Å; V108-L112 WeakPolarHBondContact O-CG 3.37Å; V108-L112 PolarHBondContact O-N 3.4Å; H109-L112 PolarHBondContact O-N 3.09Å; L112-F127 HydrophobicContact CD1-CB 3.56Å; L112-F127 HydrophobicContact CD1-CD1 3.42Å; L112-F127 VanDerWaalsContact CD1-CD1 3.42Å; L112-F127 HydrophobicContact CD1-CD2 4.07Å; L112-F127 HydrophobicContact CD1-CE1 4.09Å; L112-F127 HydrophobicContact CD1-CG 3.39Å; L112-F127 HydrophobicContact CD2-CB 4.05Å; L112-F127 HydrophobicContact CG-CB 4.45Å; L112-K129 HydrophobicContact CD2-CB 3.96Å; L112-K129 HydrophobicContact CD2-CD 4.13Å; L112-I142 HydrophobicContact CD2-CD1 4.24Å
113T90.1Very high87.3Confident76 Ų7655.8 Ų55.847%0.46630%0.298SS..Hα-helixtrans-97.5-18.7-169.263.70000113.9H109 T115H109-T113 PolarHBondContact CE1-OG1 2.89Å; H109-T113 PolarHBondContact ND1-OG1 2.76Å; H109-T113 PolarHBondContact O-N 3.38Å; H109-T113 PolarHBondContact O-OG1 2.84Å; T113-T115 PolarHBondContact O-N 3.05Å; T113-T115 PolarHBondContact OG1-N 3.05Å; T113-T115 PolarHBondContact OG1-OG1 2.89Å; T113-T115 VanDerWaalsContact OG1-OG1 3.05Å
114G90.6Very high86.6Confident39 Ų3956 Ų5640%0.40230%0.3SS..SBendtrans76.20.2-171.100000114.8R110R110-G114 WeakPolarHBondContact CD-O 3.47Å; R110-G114 PolarHBondContact NE-O 2.84Å; R110-G114 PolarHBondContact NH2-O 2.81Å; R110-G114 VanDerWaalsContact O-CA 3.29Å; R110-G114 WeakPolarHBondContact O-CA 3.17Å; R110-G114 PolarHBondContact O-N 3.41Å; R110-G114 VanDerWaalsContact O-N 3.16Å
115T89.1Confident86.1Confident77 Ų7757 Ų5747%0.47231%0.311SS..SBendtrans-110.7156.8177.763.40000112.2H109 R110 T113H109-T115 PolarHBondContact CE1-OG1 2.85Å; H109-T115 VanDerWaalsContact CE1-OG1 3.31Å; H109-T115 PolarHBondContact ND1-O 2.93Å; H109-T115 VanDerWaalsContact ND1-O 3.1Å; R110-T115 WeakPolarHBondContact CA-O 3.43Å; R110-T115 VanDerWaalsContact CD-C 3.45Å; R110-T115 VanDerWaalsContact CD-O 3.24Å; R110-T115 WeakPolarHBondContact CD-O 3.31Å; T113-T115 PolarHBondContact O-N 3.05Å; T113-T115 PolarHBondContact OG1-N 3.05Å; T113-T115 PolarHBondContact OG1-OG1 2.89Å; T113-T115 VanDerWaalsContact OG1-OG1 3.05Å
116Y88.3Confident85.8Confident63 Ų6359.1 Ų59.125%0.24732%0.317CS..  trans-98.5129.7174.6173.5-108.3000109.6A106 Q118 D200 A232 T233A106-Y116 HydrophobicContact CB-CD2 4.48Å; A106-Y116 HydrophobicContact CB-CE2 4.12Å; Y116-Q118 HydrophobicContact CE1-CB 4.02Å; Y116-Q118 WeakPolarHBondContact OH-CB 3.47Å; Y116-Q118 VanDerWaalsContact OH-CD 3.3Å; Y116-Q118 WeakPolarHBondContact OH-CG 3.11Å; Y116-Q118 PolarHBondContact OH-OE1 2.89Å; Y116-Q118 VanDerWaalsContact OH-OE1 3.1Å; Y116-D200 HydrophobicContact CE2-CB 4.44Å; Y116-A232 HydrophobicContact CD2-CB 3.66Å; Y116-A232 HydrophobicContact CE2-CB 4.05Å; Y116-T233 HydrophobicContact CD1-CG2 4.17Å; Y116-T233 HydrophobicContact CE1-CG2 4.41Å; Y116-T233 HydrophobicContact CG-CG2 4.49Å
117V84.1Confident85.5Confident49 Ų4961.8 Ų61.830%0.29733%0.328SS..  trans-128.7134.6169.3174.40000106H109 E119H109-V117 WeakPolarHBondContact CE1-CG2 3.37Å; V117-E119 HydrophobicContact CG1-CB 3.92Å; V117-E119 HydrophobicContact CG1-CG 3.66Å; V117-E119 PolarHBondContact O-N 2.66Å
118Q80.5Confident85.2Confident153 Ų15362.9 Ų62.972%0.71533%0.333SS*.  trans-92.256.7-177.8-168.1165.2-19.900110.8Y116Y116-Q118 HydrophobicContact CE1-CB 4.02Å; Y116-Q118 WeakPolarHBondContact OH-CB 3.47Å; Y116-Q118 VanDerWaalsContact OH-CD 3.3Å; Y116-Q118 WeakPolarHBondContact OH-CG 3.11Å; Y116-Q118 PolarHBondContact OH-OE1 2.89Å; Y116-Q118 VanDerWaalsContact OH-OE1 3.1Å
119E71.2Confident85Confident143 Ų14364.9 Ų64.967%0.66834%0.341SS*.  trans-119.7136.4176.9-71.4170.1179.100109.1V117V117-E119 HydrophobicContact CG1-CB 3.92Å; V117-E119 HydrophobicContact CG1-CG 3.66Å; V117-E119 PolarHBondContact O-N 2.66Å
120E74.2Confident85Confident60 Ų6064.2 Ų64.228%0.2834%0.338SS..  trans-116121.2174.6-79.3-79.6-167.600108.1L100 G103 K104 S105 P122L100-E120 VanDerWaalsContact O-CG 3.29Å; L100-E120 WeakPolarHBondContact O-CG 3.33Å; G103-E120 WeakPolarHBondContact CA-OE1 3.41Å; G103-E120 PolarHBondContact N-OE1 2.82Å; K104-E120 VanDerWaalsContact CG-OE2 3.23Å; K104-E120 WeakPolarHBondContact CG-OE2 3.3Å; K104-E120 PolarHBondContact N-OE1 3.2Å; K104-E120 IonicContact NZ-OE2 2.66Å; S105-E120 WeakPolarHBondContact CB-OE2 3.4Å; S105-E120 PolarHBondContact N-OE2 2.83Å; S105-E120 VanDerWaalsContact N-OE2 3.09Å; S105-E120 PolarHBondContact OG-OE2 2.75Å; E120-P122 VanDerWaalsContact O-CD 3.26Å; E120-P122 WeakPolarHBondContact O-CD 3.21Å
121S77.2Confident85Confident43 Ų4361.8 Ų61.830%0.30133%0.33SS..  trans-82.5110.7-176.1-50.50000109K104 S105 E123 G124K104-S121 PolarHBondContact NZ-O 3.01Å; K104-S121 VanDerWaalsContact NZ-O 3.14Å; S105-S121 PolarHBondContact OG-N 2.96Å; S105-S121 VanDerWaalsContact OG-N 3.11Å; S121-E123 VanDerWaalsContact C-N 3.3Å; S121-E123 PolarHBondContact O-N 3.13Å; S121-G124 WeakPolarHBondContact CB-O 3.33Å; S121-G124 PolarHBondContact O-N 3.49Å; S121-G124 VanDerWaalsContact O-N 3.13Å
122P75Confident84.8Confident88 Ų8865.2 Ų65.257%0.57135%0.35SS*.THydrogen-bonded Turntrans-71.1-27.2-172.529-35000112.9L100 E120 G124 G146L100-P122 HydrophobicContact CD1-CB 4.49Å; L100-P122 HydrophobicContact CD2-CB 4.4Å; E120-P122 VanDerWaalsContact O-CD 3.26Å; E120-P122 WeakPolarHBondContact O-CD 3.21Å; P122-G124 VanDerWaalsContact C-N 3.35Å; P122-G146 WeakPolarHBondContact O-CA 3.43Å
123E70.5Confident84.7Confident188 Ų18862.9 Ų62.988%0.87934%0.338SS*.THydrogen-bonded Turntrans-86.7-9.9175.7-67.6165-174.700112S121S121-E123 VanDerWaalsContact C-N 3.3Å; S121-E123 PolarHBondContact O-N 3.13Å
124G79.8Confident84.7Confident12 Ų1264.4 Ų64.412%0.12434%0.344CS..EExtended strand (participates in β ladder)trans87.7-151.5-169.900000112.3S121 P122 D144S121-G124 WeakPolarHBondContact CB-O 3.33Å; S121-G124 PolarHBondContact O-N 3.49Å; S121-G124 VanDerWaalsContact O-N 3.13Å; P122-G124 VanDerWaalsContact C-N 3.35Å; G124-D144 CarbonylContact C-O 3.59Å; G124-D144 WeakPolarHBondContact CA-O 3.33Å
125G83.8Confident84.4Confident22 Ų2265.4 Ų65.423%0.22735%0.354CS..EExtended strand (participates in β ladder)trans-179.2160.6179.800000113.6F127 R143 D144G125-F127 VanDerWaalsContact C-CE2 3.47Å; G125-R143 WeakPolarHBondContact O-CA 3.39Å; G125-D144 PolarHBondContact N-O 3.29Å; G125-D144 PolarHBondContact O-N 3.34Å
126R86.1Confident84.4Confident53 Ų5366.6 Ų66.620%0.235%0.354CS..EExtended strand (participates in β ladder)trans-129.3132.5-179.8-60.4-162.2-169.7-176.620111.8F40 N79 I142 R143F40-R126 WeakPolarHBondContact CZ-O 3.5Å; N79-R126 VanDerWaalsContact CB-NH2 3.33Å; N79-R126 VanDerWaalsContact O-CZ 3.26Å; N79-R126 PolarHBondContact O-NH1 3.14Å; N79-R126 PolarHBondContact O-NH2 2.97Å; N79-R126 VanDerWaalsContact OD1-CD 3.26Å; N79-R126 WeakPolarHBondContact OD1-CD 3.36Å; N79-R126 PolarHBondContact OD1-NE 2.94Å; N79-R126 PolarHBondContact OD1-NH2 3.22Å; R126-I142 WeakPolarHBondContact CA-O 3.28Å; R126-R143 HydrophobicContact CG-CG 4.38Å
127F88.6Confident84.4Confident62 Ų6264.2 Ų64.227%0.27235%0.347SS..EExtended strand (participates in β ladder)trans-141.6153.1-169.1-44.4-84.8000111.8V108 L112 G125 I142 D144V108-F127 HydrophobicContact CG1-CD2 3.56Å; V108-F127 HydrophobicContact CG1-CE2 3.59Å; V108-F127 HydrophobicContact CG1-CG 4.25Å; V108-F127 HydrophobicContact CG1-CZ 4.3Å; L112-F127 HydrophobicContact CD1-CB 3.56Å; L112-F127 HydrophobicContact CD1-CD1 3.42Å; L112-F127 VanDerWaalsContact CD1-CD1 3.42Å; L112-F127 HydrophobicContact CD1-CD2 4.07Å; L112-F127 HydrophobicContact CD1-CE1 4.09Å; L112-F127 HydrophobicContact CD1-CG 3.39Å; L112-F127 HydrophobicContact CD2-CB 4.05Å; L112-F127 HydrophobicContact CG-CB 4.45Å; G125-F127 VanDerWaalsContact C-CE2 3.47Å; F127-I142 HydrophobicContact CB-CB 4.3Å; F127-I142 HydrophobicContact CD2-CB 4.39Å; F127-I142 HydrophobicContact CD2-CG2 4.36Å; F127-I142 PolarHBondContact N-O 2.88Å; F127-I142 PolarHBondContact O-N 3.4Å; F127-D144 HydrophobicContact CE2-CB 4.26Å
128K88.4Confident84.8Confident23 Ų2362.9 Ų62.910%0.134%0.336CS..EExtended strand (participates in β ladder)trans-125.7131.5178.7-59.7-171.5-176.4166.40109.4E36 I37 F40 L139 L140 L141E36-K128 IonicContact OE1-NZ 3.75Å; E36-K128 PolarHBondContact OE1-NZ 3.39Å; I37-K128 HydrophobicContact CG1-CB 3.9Å; F40-K128 HydrophobicContact CB-CD 3.75Å; F40-K128 HydrophobicContact CD1-CB 4.4Å; F40-K128 HydrophobicContact CD1-CD 3.97Å; F40-K128 HydrophobicContact CD1-CG 3.91Å; F40-K128 HydrophobicContact CD2-CD 4.1Å; F40-K128 VanDerWaalsContact CD2-CE 3.43Å; F40-K128 VanDerWaalsContact CD2-NZ 3.33Å; F40-K128 HydrophobicContact CE1-CG 4.21Å; F40-K128 HydrophobicContact CG-CD 3.68Å; F40-K128 HydrophobicContact CG-CG 4.14Å; K128-L139 HydrophobicContact CB-CD1 4.09Å; K128-L140 WeakPolarHBondContact CA-O 3.25Å; K128-L141 HydrophobicContact CD-CD2 4.16Å; K128-L141 HydrophobicContact CG-CD2 3.78Å
129K91.3Very high85.2Confident43 Ų4355.8 Ų55.819%0.18730%0.303CS..EExtended strand (participates in β ladder)trans-143.9149.7174.6179.9167.4162.4-166.90111Y111 L112 L140 E239Y111-K129 HydrophobicContact CD1-CD 4.11Å; Y111-K129 HydrophobicContact CE1-CD 3.58Å; Y111-K129 HydrophobicContact CE1-CG 4.45Å; Y111-K129 VanDerWaalsContact CZ-NZ 3.29Å; Y111-K129 PolarHBondContact O-NZ 2.97Å; L112-K129 HydrophobicContact CD2-CB 3.96Å; L112-K129 HydrophobicContact CD2-CD 4.13Å; K129-L140 PolarHBondContact N-O 3.43Å; K129-L140 VanDerWaalsContact O-CB 3.32Å; K129-L140 WeakPolarHBondContact O-CB 3.33Å; K129-L140 PolarHBondContact O-N 3.47Å; K129-E239 IonicContact NZ-OE1 2.7Å; K129-E239 PolarHBondContact NZ-OE1 2.89Å
130E92.6Very high86.3Confident45 Ų4549 Ų4921%0.2127%0.272CS..EExtended strand (participates in β ladder)trans-78.3128169.9-174.2172-173.800109.4S30 I33 R34 I37 S137S30-E130 WeakPolarHBondContact CA-OE1 3.46Å; S30-E130 WeakPolarHBondContact CB-OE1 3.34Å; S30-E130 PolarHBondContact OG-OE1 3.19Å; S30-E130 PolarHBondContact OG-OE2 3.02Å; I33-E130 HydrophobicContact CG2-CB 3.72Å; I33-E130 HydrophobicContact CG2-CG 3.89Å; R34-E130 WeakPolarHBondContact CD-OE2 3.48Å; R34-E130 WeakPolarHBondContact CG-OE2 3.3Å; R34-E130 IonicContact NE-OE2 2.68Å; R34-E130 PolarHBondContact NE-OE2 2.69Å; I37-E130 HydrophobicContact CD1-CB 4.23Å; E130-S137 WeakPolarHBondContact OE1-CB 3.5Å; E130-S137 PolarHBondContact OE1-OG 2.96Å
131I93.7Very high87.1Confident6 Ų646.9 Ų46.93%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-125.6139.1171.4-165.6170.3000110.6L92 Y138 L140 A246L92-I131 HydrophobicContact CD1-CG2 3.97Å; I131-Y138 PolarHBondContact N-O 3.44Å; I131-Y138 PolarHBondContact O-N 3.41Å; I131-L140 HydrophobicContact CB-CB 4.31Å; I131-L140 HydrophobicContact CB-CD2 4.38Å; I131-L140 HydrophobicContact CD1-CD2 4.18Å; I131-L140 HydrophobicContact CG2-CB 3.83Å; I131-L140 HydrophobicContact CG2-CD2 4.4Å; I131-A246 HydrophobicContact CD1-CB 3.65Å
132V93Very high87.9Confident75 Ų7545 Ų4546%0.45525%0.249SC..EExtended strand (participates in β ladder)trans-103.1121.3178.8-177.70000109.9Q136 Q243V132-Q136 WeakPolarHBondContact CA-O 3.29Å; V132-Q243 PolarHBondContact O-NE2 3.28Å
133V91.5Very high88.7Confident0 Ų042.5 Ų42.50%023%0.228CC..EExtended strand (participates in β ladder)trans-126.7128176.4-173.50000108.4G135 Q136 Y138 A246 Q247 V250V133-G135 PolarHBondContact O-N 3.36Å; V133-Q136 PolarHBondContact N-O 3.1Å; V133-Q136 PolarHBondContact O-N 2.92Å; V133-Y138 HydrophobicContact CB-CD2 4.09Å; V133-Y138 HydrophobicContact CB-CE2 3.92Å; V133-Y138 HydrophobicContact CG2-CD2 4.29Å; V133-A246 HydrophobicContact CG2-CB 3.81Å; V133-Q247 HydrophobicContact CG1-CG 3.98Å; V133-V250 HydrophobicContact CB-CG2 4.19Å; V133-V250 HydrophobicContact CG1-CB 4.01Å; V133-V250 HydrophobicContact CG1-CG1 4.11Å; V133-V250 HydrophobicContact CG1-CG2 3.93Å; V133-V250 HydrophobicContact CG2-CG2 4.44Å
134D88.7Confident89.7Confident109 Ų10933.7 Ų33.758%0.58319%0.187SC*.THydrogen-bonded Turntrans50.530.8-177.6-54.7-18.8000114.5K254D134-K254 IonicContact OD2-NZ 2.75Å; D134-K254 PolarHBondContact OD2-NZ 3.41Å
135G85.4Confident90.2Very high59 Ų5934.1 Ų34.161%0.60819%0.186SC*.THydrogen-bonded Turntrans82.35.9-178.500000115.4V133V133-G135 PolarHBondContact O-N 3.36Å
136Q87.7Confident90.2Very high103 Ų10333.9 Ų33.948%0.48118%0.183SC..EExtended strand (participates in β ladder)trans-108.7135.9174.1-66.5178-30.300110.5V132 V133 Y138V132-Q136 WeakPolarHBondContact CA-O 3.29Å; V133-Q136 PolarHBondContact N-O 3.1Å; V133-Q136 PolarHBondContact O-N 2.92Å; Q136-Y138 HydrophobicContact CB-CD2 4.47Å; Q136-Y138 HydrophobicContact CB-CE2 3.74Å; Q136-Y138 VanDerWaalsContact O-CD2 3.27Å; Q136-Y138 WeakPolarHBondContact O-CD2 3.12Å; Q136-Y138 WeakPolarHBondContact O-CE2 3.44Å; Q136-Y138 PolarHBondContact OE1-OH 3.33Å
137S90.1Very high90.3Very high13 Ų1332.5 Ų32.59%0.09119%0.185CC..EExtended strand (participates in β ladder)trans-78.3135.8171.2-62.50000111.5E130E130-S137 WeakPolarHBondContact OE1-CB 3.5Å; E130-S137 PolarHBondContact OE1-OG 2.96Å
138Y90.9Very high90.4Very high20 Ų2031.9 Ų31.98%0.07819%0.188CC..EExtended strand (participates in β ladder)trans-124148174.7-67.3-100.1000110P90 L92 I131 V133 Q136 L140 V250P90-Y138 HydrophobicContact CB-CD1 3.62Å; P90-Y138 HydrophobicContact CB-CE1 3.73Å; P90-Y138 HydrophobicContact CG-CD1 3.74Å; P90-Y138 HydrophobicContact CG-CE1 3.97Å; P90-Y138 HydrophobicContact CG-CG 4.26Å; P90-Y138 WeakPolarHBondContact O-CA 3.49Å; P90-Y138 WeakPolarHBondContact O-CB 3.45Å; P90-Y138 WeakPolarHBondContact O-CD1 3.34Å; L92-Y138 HydrophobicContact CD1-CD1 3.95Å; L92-Y138 HydrophobicContact CD1-CD2 4.39Å; L92-Y138 HydrophobicContact CD1-CG 3.74Å; L92-Y138 HydrophobicContact CD2-CD1 3.96Å; L92-Y138 HydrophobicContact CD2-CE1 4.39Å; L92-Y138 HydrophobicContact CG-CD1 3.78Å; L92-Y138 HydrophobicContact CG-CG 4.03Å; I131-Y138 PolarHBondContact N-O 3.44Å; I131-Y138 PolarHBondContact O-N 3.41Å; V133-Y138 HydrophobicContact CB-CD2 4.09Å; V133-Y138 HydrophobicContact CB-CE2 3.92Å; V133-Y138 HydrophobicContact CG2-CD2 4.29Å; Q136-Y138 HydrophobicContact CB-CD2 4.47Å; Q136-Y138 HydrophobicContact CB-CE2 3.74Å; Q136-Y138 VanDerWaalsContact O-CD2 3.27Å; Q136-Y138 WeakPolarHBondContact O-CD2 3.12Å; Q136-Y138 WeakPolarHBondContact O-CE2 3.44Å; Q136-Y138 PolarHBondContact OE1-OH 3.33Å; Y138-L140 PolarHBondContact O-N 3.31Å; Y138-V250 HydrophobicContact CE1-CG2 3.97Å; Y138-V250 HydrophobicContact CE2-CG2 4.12Å
139L90.3Very high90.5Very high4 Ų430.8 Ų30.82%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-82.1104.9167.8176.558.3000108.6I33 E36 I37 V89 P90 E91 L92 K128 L141I33-L139 HydrophobicContact CG1-CB 4.3Å; I33-L139 HydrophobicContact CG2-CB 4.47Å; I33-L139 HydrophobicContact CG2-CD1 4.26Å; E36-L139 HydrophobicContact CG-CD2 4.16Å; I37-L139 HydrophobicContact CD1-CD1 4.36Å; I37-L139 HydrophobicContact CG1-CD1 4.04Å; V89-L139 HydrophobicContact CG1-CB 3.68Å; V89-L139 HydrophobicContact CG1-CD2 4.44Å; P90-L139 PolarHBondContact O-N 2.88Å; E91-L139 CarbonylContact C-O 3.54Å; E91-L139 WeakPolarHBondContact CA-O 3.4Å; E91-L139 HydrophobicContact CG-CD2 4.4Å; L92-L139 PolarHBondContact N-O 2.89Å; K128-L139 HydrophobicContact CB-CD1 4.09Å; L139-L141 HydrophobicContact CD1-CD2 4.22Å; L139-L141 HydrophobicContact CD2-CD2 4.01Å; L139-L141 HydrophobicContact CG-CD2 3.82Å; L139-L141 HydrophobicContact CG-CG 4.31Å; L139-L141 PolarHBondContact O-N 2.86Å
140L93Very high90.5Very high1 Ų133.4 Ų33.41%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-81.9114.9174.2-174.963.1000109.1L92 V94 Y111 K128 K129 I131 Y138 I142 F242L92-L140 HydrophobicContact CB-CD1 4Å; V94-L140 HydrophobicContact CB-CD1 4.27Å; V94-L140 HydrophobicContact CG2-CD1 3.6Å; Y111-L140 HydrophobicContact CE1-CD2 3.71Å; Y111-L140 WeakPolarHBondContact OH-CD2 3.31Å; K128-L140 WeakPolarHBondContact CA-O 3.25Å; K129-L140 PolarHBondContact N-O 3.43Å; K129-L140 VanDerWaalsContact O-CB 3.32Å; K129-L140 WeakPolarHBondContact O-CB 3.33Å; K129-L140 PolarHBondContact O-N 3.47Å; I131-L140 HydrophobicContact CB-CB 4.31Å; I131-L140 HydrophobicContact CB-CD2 4.38Å; I131-L140 HydrophobicContact CD1-CD2 4.18Å; I131-L140 HydrophobicContact CG2-CB 3.83Å; I131-L140 HydrophobicContact CG2-CD2 4.4Å; Y138-L140 PolarHBondContact O-N 3.31Å; L140-I142 HydrophobicContact CD2-CD1 4.13Å; L140-I142 HydrophobicContact CD2-CG1 4.2Å; L140-I142 HydrophobicContact CG-CD1 4.41Å; L140-I142 HydrophobicContact CG-CG1 3.96Å; L140-F242 HydrophobicContact CD2-CD1 4.38Å
141L91.5Very high90.3Very high16 Ų1636.2 Ų36.28%0.08421%0.212CC..EExtended strand (participates in β ladder)trans-98.2116.9172.8-57.7179.4000107.9E91 L92 K93 V94 K128 L139 W156E91-L141 HydrophobicContact CB-CD1 4.36Å; E91-L141 HydrophobicContact CG-CD1 4.3Å; L92-L141 PolarHBondContact O-N 3.36Å; K93-L141 HydrophobicContact CG-CB 4.33Å; K93-L141 HydrophobicContact CG-CD1 4.05Å; V94-L141 PolarHBondContact N-O 3.04Å; K128-L141 HydrophobicContact CD-CD2 4.16Å; K128-L141 HydrophobicContact CG-CD2 3.78Å; L139-L141 HydrophobicContact CD1-CD2 4.22Å; L139-L141 HydrophobicContact CD2-CD2 4.01Å; L139-L141 HydrophobicContact CG-CD2 3.82Å; L139-L141 HydrophobicContact CG-CG 4.31Å; L139-L141 PolarHBondContact O-N 2.86Å; L141-W156 HydrophobicContact CB-CH2 4.09Å; L141-W156 HydrophobicContact CB-CZ2 3.88Å; L141-W156 HydrophobicContact CD1-CZ2 4.47Å
142I93.3Very high90Very high3 Ų342.7 Ų42.72%0.01524%0.242CC..EExtended strand (participates in β ladder)trans-107.1133179.2-53.9174.9000108.5V94 I96 V108 Y111 L112 R126 F127 L140 F242V94-I142 WeakPolarHBondContact O-CA 3.4Å; I96-I142 HydrophobicContact CD1-CG2 4.33Å; I96-I142 HydrophobicContact CG1-CG2 3.73Å; V108-I142 HydrophobicContact CG1-CG2 4.12Å; V108-I142 HydrophobicContact CG2-CG2 4.25Å; Y111-I142 HydrophobicContact CD1-CD1 3.77Å; Y111-I142 HydrophobicContact CE1-CD1 3.81Å; L112-I142 HydrophobicContact CD2-CD1 4.24Å; R126-I142 WeakPolarHBondContact CA-O 3.28Å; F127-I142 HydrophobicContact CB-CB 4.3Å; F127-I142 HydrophobicContact CD2-CB 4.39Å; F127-I142 HydrophobicContact CD2-CG2 4.36Å; F127-I142 PolarHBondContact N-O 2.88Å; F127-I142 PolarHBondContact O-N 3.4Å; L140-I142 HydrophobicContact CD2-CD1 4.13Å; L140-I142 HydrophobicContact CD2-CG1 4.2Å; L140-I142 HydrophobicContact CG-CD1 4.41Å; L140-I142 HydrophobicContact CG-CG1 3.96Å; I142-F242 HydrophobicContact CD1-CD1 4.19Å; I142-F242 HydrophobicContact CD1-CE1 3.79Å; I142-F242 HydrophobicContact CG1-CE1 4.44Å
143R92.1Very high89.9Confident36 Ų3639.1 Ų39.114%0.13622%0.22CC..EExtended strand (participates in β ladder)trans-125.9108.2172.4-178.6171161.9162.2-2.7109.3V94 G95 I96 G125 R126 E145 W156V94-R143 PolarHBondContact O-N 3.5Å; G95-R143 CarbonylContact C-O 3.48Å; G95-R143 WeakPolarHBondContact CA-O 3.38Å; I96-R143 PolarHBondContact N-O 2.95Å; G125-R143 WeakPolarHBondContact O-CA 3.39Å; R126-R143 HydrophobicContact CG-CG 4.38Å; R143-E145 IonicContact CZ-OE1 3.27Å; R143-E145 IonicContact NE-OE1 3.18Å; R143-E145 PolarHBondContact NE-OE1 2.95Å; R143-E145 IonicContact NH2-OE1 2.76Å; R143-E145 PolarHBondContact NH2-OE1 3.37Å; R143-E145 IonicContact NH2-OE2 3.43Å; R143-W156 HydrophobicContact CB-CE3 4.14Å; R143-W156 HydrophobicContact CB-CH2 3.65Å; R143-W156 HydrophobicContact CB-CZ3 3.4Å; R143-W156 VanDerWaalsContact CB-CZ3 3.4Å; R143-W156 HydrophobicContact CG-CZ3 4.41Å
144D92.9Very high90Very high3 Ų339.2 Ų39.22%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-82.8124.8170.6178.314.9000108.5K104 S105 G124 G125 F127K104-D144 VanDerWaalsContact CD-OD1 3.25Å; K104-D144 WeakPolarHBondContact CD-OD1 3.4Å; K104-D144 WeakPolarHBondContact CE-OD1 3.47Å; K104-D144 VanDerWaalsContact NZ-CG 3.26Å; K104-D144 IonicContact NZ-OD1 3.86Å; K104-D144 PolarHBondContact NZ-OD1 3.46Å; K104-D144 IonicContact NZ-OD2 2.77Å; K104-D144 PolarHBondContact NZ-OD2 3.45Å; S105-D144 WeakPolarHBondContact CB-OD2 3.39Å; S105-D144 PolarHBondContact OG-OD2 2.94Å; G124-D144 CarbonylContact C-O 3.59Å; G124-D144 WeakPolarHBondContact CA-O 3.33Å; G125-D144 PolarHBondContact N-O 3.29Å; G125-D144 PolarHBondContact O-N 3.34Å; F127-D144 HydrophobicContact CE2-CB 4.26Å
145E90.3Very high90Very high21 Ų2137.5 Ų37.510%0.09822%0.222CC..EExtended strand (participates in β ladder)trans-98.5124176.8-65.6-83.3105.400110I96 K104 R143 G147 F153I96-E145 PolarHBondContact O-N 3.33Å; K104-E145 WeakPolarHBondContact CE-O 3.39Å; R143-E145 IonicContact CZ-OE1 3.27Å; R143-E145 IonicContact NE-OE1 3.18Å; R143-E145 PolarHBondContact NE-OE1 2.95Å; R143-E145 IonicContact NH2-OE1 2.76Å; R143-E145 PolarHBondContact NH2-OE1 3.37Å; R143-E145 IonicContact NH2-OE2 3.43Å; E145-G147 PolarHBondContact O-N 2.6Å; E145-F153 HydrophobicContact CG-CD2 3.4Å; E145-F153 HydrophobicContact CG-CE2 3.36Å; E145-F153 HydrophobicContact CG-CG 4.13Å; E145-F153 HydrophobicContact CG-CZ 4.09Å
146G83.5Confident90.2Very high17 Ų1736 Ų3618%0.17520%0.198CC..SBendtrans-68.4-16.8169.700000114.4P122P122-G146 WeakPolarHBondContact O-CA 3.43Å
147G87Confident90.5Very high24 Ų2431.2 Ų31.225%0.24718%0.176CC..SBendtrans-133.4-171.3-167.500000115.7E145E145-G147 PolarHBondContact O-N 2.6Å
148P90.5Very high90.6Very high49 Ų4932 Ų3232%0.31818%0.179SC..SBendtrans-70.5132.7178.429.1-34.9000111.3E150 Y178P148-E150 PolarHBondContact O-N 3.39Å; P148-Y178 HydrophobicContact CB-CD1 3.98Å; P148-Y178 HydrophobicContact CB-CE1 3.51Å
149P91.5Very high90.9Very high0 Ų031.1 Ų31.10%018%0.175CC..  trans-59.6139.5-170.923.5-34.4000112.5V97 F153 Y178 R181 L182V97-P149 HydrophobicContact CG1-CG 4.3Å; P149-F153 HydrophobicContact CB-CD1 3.67Å; P149-F153 HydrophobicContact CB-CE1 3.94Å; P149-Y178 WeakPolarHBondContact CG-O 3.38Å; P149-R181 WeakPolarHBondContact O-CD 3.46Å; P149-R181 WeakPolarHBondContact O-CG 3.25Å; P149-R181 PolarHBondContact O-NE 3.4Å; P149-L182 HydrophobicContact CG-CB 4.38Å
150E90.4Very high91.2Very high97 Ų9731 Ų3145%0.45318%0.175SC..  trans-107171.6-177.6-57.7-151.9138.700113.6P148 Q152 F153 A154P148-E150 PolarHBondContact O-N 3.39Å; E150-Q152 VanDerWaalsContact C-N 3.31Å; E150-Q152 PolarHBondContact O-N 2.86Å; E150-F153 PolarHBondContact O-N 3.33Å; E150-A154 WeakPolarHBondContact O-CB 3.06Å; E150-A154 PolarHBondContact O-N 3.1Å
151L90.1Very high91.4Very high105 Ų10530.9 Ų30.955%0.5518%0.175SC..Hα-helixtrans-57.9-41.8176.4177.560.4000112.3A154 A155 F185L151-A154 PolarHBondContact O-N 2.84Å; L151-A155 WeakPolarHBondContact O-CB 3.24Å; L151-A155 PolarHBondContact O-N 3.34Å; L151-F185 HydrophobicContact CB-CD1 3.96Å; L151-F185 HydrophobicContact CB-CE1 4.13Å; L151-F185 HydrophobicContact CB-CG 4.18Å; L151-F185 HydrophobicContact CB-CZ 4.48Å; L151-F185 HydrophobicContact CD1-CB 3.93Å; L151-F185 HydrophobicContact CD1-CD1 3.92Å; L151-F185 HydrophobicContact CD1-CG 4.11Å; L151-F185 HydrophobicContact CG-CD1 4.47Å
152Q87.3Confident91.6Very high142 Ų14230.1 Ų30.166%0.66417%0.171SC*.Hα-helixtrans-62.6-44.5178.1-58.8-169.732.300111.5E150 A155 W156E150-Q152 VanDerWaalsContact C-N 3.31Å; E150-Q152 PolarHBondContact O-N 2.86Å; Q152-A155 PolarHBondContact O-N 3.49Å; Q152-W156 WeakPolarHBondContact O-CB 3.35Å; Q152-W156 PolarHBondContact O-N 2.95Å
153F91Very high91.8Very high0 Ų030 Ų300%017%0.17CC..Hα-helixtrans-63.1-47.1175.6172.2-89.2000111.6V97 E145 P149 E150 A155 W156 V157 V160 L182V97-F153 HydrophobicContact CG2-CE1 3.67Å; V97-F153 HydrophobicContact CG2-CE2 4.2Å; V97-F153 HydrophobicContact CG2-CZ 3.3Å; E145-F153 HydrophobicContact CG-CD2 3.4Å; E145-F153 HydrophobicContact CG-CE2 3.36Å; E145-F153 HydrophobicContact CG-CG 4.13Å; E145-F153 HydrophobicContact CG-CZ 4.09Å; P149-F153 HydrophobicContact CB-CD1 3.67Å; P149-F153 HydrophobicContact CB-CE1 3.94Å; E150-F153 PolarHBondContact O-N 3.33Å; F153-A155 VanDerWaalsContact C-N 3.29Å; F153-A155 PolarHBondContact O-N 3.39Å; F153-W156 WeakPolarHBondContact O-CB 3.49Å; F153-W156 PolarHBondContact O-N 3.36Å; F153-V157 HydrophobicContact CD1-CG1 4.37Å; F153-V157 HydrophobicContact CD2-CG1 4.23Å; F153-V157 HydrophobicContact CE1-CG1 3.96Å; F153-V157 HydrophobicContact CE2-CG1 3.82Å; F153-V157 HydrophobicContact CG-CG1 4.49Å; F153-V157 HydrophobicContact CZ-CG1 3.67Å; F153-V157 PolarHBondContact O-N 3.38Å; F153-V157 VanDerWaalsContact O-N 3.13Å; F153-V160 HydrophobicContact CE1-CG2 4.01Å; F153-V160 HydrophobicContact CZ-CG2 4.18Å; F153-L182 HydrophobicContact CD1-CD1 4.38Å; F153-L182 HydrophobicContact CE1-CD1 4.3Å
154A91.9Very high92Very high1 Ų128.3 Ų28.31%0.00816%0.163CC..Hα-helixtrans-62.3-33.4179.800000113.3E150 L151 L182 F185 R186E150-A154 WeakPolarHBondContact O-CB 3.06Å; E150-A154 PolarHBondContact O-N 3.1Å; L151-A154 PolarHBondContact O-N 2.84Å; A154-L182 HydrophobicContact CB-CD1 3.72Å; A154-F185 HydrophobicContact CB-CB 3.62Å; A154-F185 HydrophobicContact CB-CD2 4.31Å; A154-F185 HydrophobicContact CB-CG 4.4Å; A154-R186 HydrophobicContact CB-CB 4.47Å; A154-R186 WeakPolarHBondContact O-CD 3.36Å; A154-R186 PolarHBondContact O-NH1 2.91Å
155A89.1Confident92.2Very high74 Ų7428.2 Ų28.261%0.61216%0.163SC*.Hα-helixtrans-75.4-29.9172.800000113.1L151 Q152 F153L151-A155 WeakPolarHBondContact O-CB 3.24Å; L151-A155 PolarHBondContact O-N 3.34Å; Q152-A155 PolarHBondContact O-N 3.49Å; F153-A155 VanDerWaalsContact C-N 3.29Å; F153-A155 PolarHBondContact O-N 3.39Å
156W90.1Very high92.5Very high26 Ų2627.2 Ų27.210%0.09816%0.159CC..Hα-helixtrans-76.9-42.5-176.3179.974.4000114.5Q81 K93 L141 R143 Q152 F153Q81-W156 VanDerWaalsContact OE1-NE1 3.13Å; K93-W156 HydrophobicContact CB-CD2 4.2Å; K93-W156 HydrophobicContact CB-CE3 4.26Å; K93-W156 HydrophobicContact CB-CH2 3.91Å; K93-W156 HydrophobicContact CB-CZ2 3.86Å; K93-W156 HydrophobicContact CB-CZ3 4.1Å; K93-W156 HydrophobicContact CD-CD2 4.36Å; K93-W156 HydrophobicContact CD-CG 4.48Å; K93-W156 HydrophobicContact CD-CZ2 4.18Å; K93-W156 WeakPolarHBondContact CD-O 3.46Å; K93-W156 HydrophobicContact CG-CD2 4.48Å; K93-W156 HydrophobicContact CG-CH2 4.25Å; K93-W156 HydrophobicContact CG-CZ2 3.72Å; L141-W156 HydrophobicContact CB-CH2 4.09Å; L141-W156 HydrophobicContact CB-CZ2 3.88Å; L141-W156 HydrophobicContact CD1-CZ2 4.47Å; R143-W156 HydrophobicContact CB-CE3 4.14Å; R143-W156 HydrophobicContact CB-CH2 3.65Å; R143-W156 HydrophobicContact CB-CZ3 3.4Å; R143-W156 VanDerWaalsContact CB-CZ3 3.4Å; R143-W156 HydrophobicContact CG-CZ3 4.41Å; Q152-W156 WeakPolarHBondContact O-CB 3.35Å; Q152-W156 PolarHBondContact O-N 2.95Å; F153-W156 WeakPolarHBondContact O-CB 3.49Å; F153-W156 PolarHBondContact O-N 3.36Å
157V93Very high93Very high3 Ų327.3 Ų27.32%0.01815%0.154CC..  trans-67.3139.9-171.2-68.40000113.3F153 V160 R186 V191F153-V157 HydrophobicContact CD1-CG1 4.37Å; F153-V157 HydrophobicContact CD2-CG1 4.23Å; F153-V157 HydrophobicContact CE1-CG1 3.96Å; F153-V157 HydrophobicContact CE2-CG1 3.82Å; F153-V157 HydrophobicContact CG-CG1 4.49Å; F153-V157 HydrophobicContact CZ-CG1 3.67Å; F153-V157 PolarHBondContact O-N 3.38Å; F153-V157 VanDerWaalsContact O-N 3.13Å; V157-V160 HydrophobicContact CB-CG2 4.16Å; V157-V160 HydrophobicContact CG1-CG2 4.13Å; V157-V160 HydrophobicContact CG2-CG2 3.79Å; V157-R186 PolarHBondContact O-NH1 2.62Å; V157-V191 HydrophobicContact CG2-CG1 4.16Å
158D94Very high93.3Very high31 Ų3127.7 Ų27.717%0.16615%0.151CC..SBendtrans-78.7-39.3155.9-71.9-81.2000110.7K93 P192 V249 R253K93-D158 WeakPolarHBondContact CB-OD2 3.36Å; K93-D158 PolarHBondContact N-OD2 2.69Å; K93-D158 WeakPolarHBondContact O-CA 3.29Å; K93-D158 WeakPolarHBondContact O-CB 3.45Å; K93-D158 PolarHBondContact O-N 3.32Å; D158-P192 WeakPolarHBondContact O-CD 3.31Å; D158-V249 HydrophobicContact CB-CB 4.3Å; D158-V249 HydrophobicContact CB-CG1 3.55Å; D158-V249 HydrophobicContact CB-CG2 3.67Å; D158-R253 IonicContact OD1-CZ 3.26Å; D158-R253 VanDerWaalsContact OD1-CZ 3.31Å; D158-R253 IonicContact OD1-NE 3.64Å; D158-R253 PolarHBondContact OD1-NE 3.3Å; D158-R253 VanDerWaalsContact OD1-NE 3.09Å; D158-R253 IonicContact OD1-NH2 2.68Å; D158-R253 PolarHBondContact OD1-NH2 2.94Å; D158-R253 IonicContact OD2-CZ 2.6Å; D158-R253 IonicContact OD2-NH2 3.78Å; D158-R253 PolarHBondContact OD2-NH2 2.77Å
159A95.9Very high93.5Very high0 Ų028 Ų280%015%0.148CC..EExtended strand (participates in β ladder)trans-147.6160.2-177.600000113K93 V94 G95 P192 V245 V249K93-A159 PolarHBondContact O-N 2.67Å; V94-A159 WeakPolarHBondContact CA-O 3.4Å; G95-A159 PolarHBondContact N-O 3.34Å; A159-P192 WeakPolarHBondContact CA-O 3.46Å; A159-P192 HydrophobicContact CB-CB 4.22Å; A159-P192 HydrophobicContact CB-CG 4.49Å; A159-P192 VanDerWaalsContact CB-O 3.3Å; A159-P192 WeakPolarHBondContact CB-O 3.49Å; A159-V245 HydrophobicContact CB-CG1 3.59Å; A159-V249 HydrophobicContact CB-CG2 3.47Å; A159-V249 VanDerWaalsContact CB-CG2 3.47Å
160V96.3Very high93.7Very high1 Ų133.5 Ų33.51%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-128.9134.7-178.2177.20000112.2G95 V97 F153 V157 F162 L182 V191 P192 M193 V194G95-V160 CarbonylContact O-C 3.41Å; G95-V160 WeakPolarHBondContact O-CA 3.5Å; V97-V160 HydrophobicContact CB-CG1 4.17Å; V97-V160 HydrophobicContact CG2-CG1 3.83Å; F153-V160 HydrophobicContact CE1-CG2 4.01Å; F153-V160 HydrophobicContact CZ-CG2 4.18Å; V157-V160 HydrophobicContact CB-CG2 4.16Å; V157-V160 HydrophobicContact CG1-CG2 4.13Å; V157-V160 HydrophobicContact CG2-CG2 3.79Å; V160-F162 HydrophobicContact CB-CE2 4.4Å; V160-F162 HydrophobicContact CG1-CD2 4.04Å; V160-F162 HydrophobicContact CG1-CE1 4.29Å; V160-F162 HydrophobicContact CG1-CE2 3.74Å; V160-F162 HydrophobicContact CG1-CG 4.43Å; V160-F162 HydrophobicContact CG1-CZ 3.88Å; V160-L182 HydrophobicContact CB-CD2 4.28Å; V160-L182 HydrophobicContact CG1-CD2 4.36Å; V160-L182 HydrophobicContact CG2-CD2 3.9Å; V160-V191 HydrophobicContact CB-CG1 4.45Å; V160-V191 HydrophobicContact CG2-CG1 3.94Å; V160-P192 PolarHBondContact N-O 3.43Å; V160-M193 WeakPolarHBondContact O-CA 3.47Å; V160-V194 PolarHBondContact O-N 3.34Å; V160-V194 VanDerWaalsContact O-N 3.09Å
161V97.3Very high94Very high0 Ų028.9 Ų28.90%016%0.155CC..EExtended strand (participates in β ladder)trans-104.3116.3168.1-172.30000108.7V94 G95 I96 V97 V163 V194 V196 V241 V245V94-V161 HydrophobicContact CG1-CG2 4.11Å; G95-V161 PolarHBondContact O-N 3.12Å; I96-V161 HydrophobicContact CD1-CB 3.71Å; I96-V161 HydrophobicContact CD1-CG2 3.7Å; V97-V161 PolarHBondContact N-O 3.23Å; V161-V163 HydrophobicContact CG1-CG2 4.05Å; V161-V194 WeakPolarHBondContact CA-O 3.29Å; V161-V196 HydrophobicContact CG1-CB 4.32Å; V161-V196 HydrophobicContact CG1-CG2 3.51Å; V161-V241 HydrophobicContact CG1-CG1 3.9Å; V161-V241 HydrophobicContact CG2-CG1 4.15Å; V161-V245 HydrophobicContact CG2-CG2 3.62Å
162F97Very high94.3Very high0 Ų025 Ų250%013%0.133CC..EExtended strand (participates in β ladder)trans-88126.3170.7-72.1-78.1000109.9V97 V160 V175 F179 L182 M193 V194 L195 V196 L222V97-F162 HydrophobicContact CB-CD1 4.12Å; V97-F162 HydrophobicContact CB-CE1 4.24Å; V97-F162 HydrophobicContact CG1-CD1 3.85Å; V97-F162 HydrophobicContact CG1-CE1 3.75Å; V97-F162 CarbonylContact O-C 3.59Å; V97-F162 WeakPolarHBondContact O-CA 3.23Å; V160-F162 HydrophobicContact CB-CE2 4.4Å; V160-F162 HydrophobicContact CG1-CD2 4.04Å; V160-F162 HydrophobicContact CG1-CE1 4.29Å; V160-F162 HydrophobicContact CG1-CE2 3.74Å; V160-F162 HydrophobicContact CG1-CG 4.43Å; V160-F162 HydrophobicContact CG1-CZ 3.88Å; F162-V175 HydrophobicContact CB-CG1 3.73Å; F162-V175 HydrophobicContact CB-CG2 4.28Å; F162-V175 HydrophobicContact CD1-CG1 4.01Å; F162-V175 HydrophobicContact CG-CG1 4.03Å; F162-F179 HydrophobicContact CE1-CB 4.15Å; F162-F179 HydrophobicContact CE2-CB 4.44Å; F162-F179 HydrophobicContact CE2-CD2 4.27Å; F162-F179 HydrophobicContact CZ-CB 3.92Å; F162-F179 HydrophobicContact CZ-CD2 4.33Å; F162-L182 HydrophobicContact CE2-CD2 4.24Å; F162-L182 HydrophobicContact CZ-CD2 3.78Å; F162-M193 HydrophobicContact CE2-CG 4.28Å; F162-M193 HydrophobicContact CE2-SD 3.98Å; F162-V194 PolarHBondContact N-O 3.23Å; F162-L195 HydrophobicContact CB-CD1 3.92Å; F162-L195 CarbonylContact O-C 3.52Å; F162-V196 PolarHBondContact O-N 2.98Å; F162-L222 HydrophobicContact CD2-CD2 4.16Å; F162-L222 HydrophobicContact CG-CD2 4.4Å
163V97.1Very high94.6Very high0 Ų023.4 Ų23.40%013%0.126CC..EExtended strand (participates in β ladder)trans-118.6135.2-175.4-165.30000110.2I96 V97 G98 S102 K104 L107 V161 V175 V196 T198I96-V163 HydrophobicContact CG2-CG2 3.63Å; V97-V163 PolarHBondContact O-N 3.39Å; G98-V163 WeakPolarHBondContact CA-O 3.28Å; S102-V163 WeakPolarHBondContact CB-O 3.39Å; S102-V163 WeakPolarHBondContact O-CG1 3.37Å; K104-V163 HydrophobicContact CB-CB 4.28Å; K104-V163 HydrophobicContact CB-CG1 4.43Å; K104-V163 HydrophobicContact CB-CG2 4.39Å; L107-V163 HydrophobicContact CD2-CG1 4.32Å; L107-V163 HydrophobicContact CD2-CG2 4.06Å; V161-V163 HydrophobicContact CG1-CG2 4.05Å; V163-V175 VanDerWaalsContact O-CG2 3.29Å; V163-V175 WeakPolarHBondContact O-CG2 3.45Å; V163-V196 WeakPolarHBondContact CA-O 3.47Å; V163-V196 HydrophobicContact CG1-CB 4.49Å; V163-V196 HydrophobicContact CG1-CG1 4.39Å; V163-T198 HydrophobicContact CG1-CG2 3.69Å
164F96.9Very high94.8Very high0 Ų024.5 Ų24.50%013%0.132CC..EExtended strand (participates in β ladder)trans-141.6156.1170.572.4-86.1000110.2S102 L166 S171 F172 V175 L195 V196 G197 T198 I210 A215 Y227S102-F164 CarbonylContact O-C 3.57Å; F164-L166 HydrophobicContact CE2-CD2 3.82Å; F164-L166 HydrophobicContact CE2-CG 4.31Å; F164-L166 HydrophobicContact CZ-CD2 4.27Å; F164-S171 WeakPolarHBondContact CB-OG 3.19Å; F164-F172 HydrophobicContact CD1-CD2 4.37Å; F164-F172 HydrophobicContact CD2-CB 3.98Å; F164-F172 AromaticContact CD2-CD2 3.72Å; F164-F172 HydrophobicContact CD2-CD2 3.72Å; F164-F172 HydrophobicContact CD2-CG 4.34Å; F164-F172 HydrophobicContact CE1-CD2 4.28Å; F164-F172 AromaticContact CE2-CD2 3.61Å; F164-F172 HydrophobicContact CE2-CD2 3.61Å; F164-F172 HydrophobicContact CE2-CE2 4.31Å; F164-F172 HydrophobicContact CG-CB 4.41Å; F164-F172 HydrophobicContact CG-CD2 4.11Å; F164-F172 AromaticContact CZ-CD2 3.91Å; F164-F172 HydrophobicContact CZ-CD2 3.91Å; F164-F172 HydrophobicContact CZ-CE2 4.24Å; F164-V175 HydrophobicContact CB-CG2 3.99Å; F164-L195 HydrophobicContact CD1-CD1 3.81Å; F164-L195 HydrophobicContact CD1-CG 4.34Å; F164-L195 HydrophobicContact CE1-CD1 3.84Å; F164-L195 HydrophobicContact CE1-CD2 4.15Å; F164-L195 HydrophobicContact CE1-CG 3.87Å; F164-V196 WeakPolarHBondContact CD1-O 3.21Å; F164-V196 WeakPolarHBondContact CE1-O 3.49Å; F164-V196 PolarHBondContact N-O 3.47Å; F164-G197 CarbonylContact O-C 3.59Å; F164-G197 VanDerWaalsContact O-CA 3.29Å; F164-G197 WeakPolarHBondContact O-CA 3.19Å; F164-T198 PolarHBondContact O-N 3.3Å; F164-T198 PolarHBondContact O-OG1 2.94Å; F164-I210 HydrophobicContact CD2-CD1 4.21Å; F164-I210 HydrophobicContact CE2-CB 4.32Å; F164-I210 HydrophobicContact CE2-CD1 4.31Å; F164-I210 HydrophobicContact CE2-CG2 3.89Å; F164-I210 HydrophobicContact CZ-CG2 4.45Å; F164-A215 HydrophobicContact CZ-CB 3.89Å; F164-Y227 AromaticContact CE1-CE2 3.94Å; F164-Y227 HydrophobicContact CE1-CE2 3.94Å; F164-Y227 AromaticContact CZ-CE2 3.88Å; F164-Y227 HydrophobicContact CZ-CE2 3.88Å
165S96.2Very high95Very high2 Ų224.5 Ų24.51%0.01413%0.132CC..EExtended strand (participates in β ladder)trans-88.5137.6173.81500000110.6S101 E167 D168 S171 T198 I210S101-S165 WeakPolarHBondContact O-CB 3.49Å; S165-E167 PolarHBondContact O-N 3.1Å; S165-E167 WeakPolarHBondContact OG-CG 3.45Å; S165-E167 PolarHBondContact OG-N 3.21Å; S165-E167 PolarHBondContact OG-OE1 3.11Å; S165-E167 PolarHBondContact OG-OE2 3.45Å; S165-D168 PolarHBondContact O-N 2.68Å; S165-D168 PolarHBondContact OG-N 2.87Å; S165-D168 VanDerWaalsContact OG-N 3.08Å; S165-S171 PolarHBondContact N-OG 3.01Å; S165-S171 PolarHBondContact O-OG 3.07Å; S165-T198 WeakPolarHBondContact CA-OG1 3.24Å; S165-I210 WeakPolarHBondContact O-CD1 3.35Å
166L96.7Very high95.2Very high0 Ų025.8 Ų25.80%012%0.122CC..SBendtrans-74.2-12.3-178.4-79.1166.1000113.8F164 T198 Q199 I202 R208 V209 I210 E229F164-L166 HydrophobicContact CE2-CD2 3.82Å; F164-L166 HydrophobicContact CE2-CG 4.31Å; F164-L166 HydrophobicContact CZ-CD2 4.27Å; L166-T198 VanDerWaalsContact CB-O 3.26Å; L166-T198 WeakPolarHBondContact CB-O 3.47Å; L166-T198 WeakPolarHBondContact CD1-O 3.46Å; L166-T198 VanDerWaalsContact CG-O 3.31Å; L166-T198 WeakPolarHBondContact CG-O 3.49Å; L166-T198 PolarHBondContact N-O 2.81Å; L166-Q199 HydrophobicContact CD1-CG 3.63Å; L166-I202 HydrophobicContact CB-CD1 4.09Å; L166-R208 HydrophobicContact CB-CG 4.22Å; L166-R208 CarbonylContact O-C 3.59Å; L166-R208 WeakPolarHBondContact O-CA 3.45Å; L166-V209 PolarHBondContact O-N 2.94Å; L166-I210 HydrophobicContact CD2-CB 4.22Å; L166-I210 HydrophobicContact CD2-CG2 4.35Å; L166-I210 WeakPolarHBondContact CD2-O 3.19Å; L166-I210 PolarHBondContact O-N 3.48Å; L166-E229 HydrophobicContact CD1-CB 4.45Å; L166-E229 HydrophobicContact CD1-CG 4.01Å
167E94.3Very high95.4Very high19 Ų1929.1 Ų29.19%0.08914%0.142CC..SBendtrans-104-18.5176.759.5-69.7165.100113.1S165 A201 I202 N206 V209S165-E167 PolarHBondContact O-N 3.1Å; S165-E167 WeakPolarHBondContact OG-CG 3.45Å; S165-E167 PolarHBondContact OG-N 3.21Å; S165-E167 PolarHBondContact OG-OE1 3.11Å; S165-E167 PolarHBondContact OG-OE2 3.45Å; E167-A201 HydrophobicContact CG-CB 4.16Å; E167-A201 WeakPolarHBondContact OE1-CB 3.39Å; E167-A201 PolarHBondContact OE1-N 3.2Å; E167-I202 HydrophobicContact CB-CG1 4.5Å; E167-I202 HydrophobicContact CG-CG1 4.46Å; E167-I202 WeakPolarHBondContact OE2-CG1 3.24Å; E167-N206 WeakPolarHBondContact CG-ND2 3.41Å; E167-V209 VanDerWaalsContact O-CG2 3.3Å; E167-V209 WeakPolarHBondContact O-CG2 3.4Å
168D93.7Very high95.5Very high31 Ų3130.8 Ų30.817%0.16615%0.148CC..  trans-103104.8173.5178.725.3000114.1N99 S101 S165 I170 S171 F172N99-D168 PolarHBondContact ND2-OD2 2.98Å; S101-D168 PolarHBondContact OG-OD2 3.38Å; S165-D168 PolarHBondContact O-N 2.68Å; S165-D168 PolarHBondContact OG-N 2.87Å; S165-D168 VanDerWaalsContact OG-N 3.08Å; D168-I170 PolarHBondContact O-N 3.06Å; D168-I170 VanDerWaalsContact OD1-CB 3.28Å; D168-I170 WeakPolarHBondContact OD1-CB 3.34Å; D168-I170 PolarHBondContact OD1-N 3.44Å; D168-S171 PolarHBondContact O-N 3.44Å; D168-S171 PolarHBondContact O-OG 3.49Å; D168-S171 VanDerWaalsContact OD2-CB 3.29Å; D168-S171 WeakPolarHBondContact OD2-CB 3.36Å; D168-S171 PolarHBondContact OD2-N 3.1Å; D168-F172 PolarHBondContact O-N 2.68Å
169E95Very high95.5Very high57 Ų5729.9 Ų29.927%0.26614%0.143SC..Hα-helixtrans-57.6-30.4172.2-178.561.7-14400113.9F172 Q173 V209 R214E169-F172 PolarHBondContact O-N 3.34Å; E169-Q173 WeakPolarHBondContact O-CG 3.4Å; E169-Q173 PolarHBondContact O-N 3.32Å; E169-Q173 PolarHBondContact OE1-NE2 3.33Å; E169-V209 HydrophobicContact CB-CG2 4.2Å; E169-R214 IonicContact OE1-CZ 2.72Å; E169-R214 IonicContact OE1-NH2 2.65Å; E169-R214 PolarHBondContact OE1-NH2 3.04Å; E169-R214 IonicContact OE2-CZ 3.85Å; E169-R214 IonicContact OE2-NH1 2.85Å; E169-R214 PolarHBondContact OE2-NH1 3.09Å; E169-R214 IonicContact OE2-NH2 2.97Å; E169-R214 PolarHBondContact OE2-NH2 3.43Å
170I95.5Very high95.4Very high115 Ų11533.7 Ų33.759%0.5916%0.163SC*.Hα-helixtrans-71.1-42.9-179.4-56.3176.8000110.1D168 F172 Q173 T174D168-I170 PolarHBondContact O-N 3.06Å; D168-I170 VanDerWaalsContact OD1-CB 3.28Å; D168-I170 WeakPolarHBondContact OD1-CB 3.34Å; D168-I170 PolarHBondContact OD1-N 3.44Å; I170-F172 VanDerWaalsContact C-N 3.31Å; I170-F172 PolarHBondContact O-N 2.9Å; I170-Q173 PolarHBondContact O-N 3.26Å; I170-T174 WeakPolarHBondContact O-CB 3.2Å; I170-T174 PolarHBondContact O-N 3.48Å; I170-T174 PolarHBondContact O-OG1 3.47Å
171S95.1Very high95.3Very high0 Ų038.2 Ų38.20%018%0.18CC..Hα-helixtrans-56.7-44.4174750000112.2N99 F164 S165 D168 Q173 T174 V175N99-S171 VanDerWaalsContact ND2-CA 3.33Å; N99-S171 WeakPolarHBondContact ND2-CA 3.47Å; N99-S171 PolarHBondContact ND2-N 2.96Å; N99-S171 WeakPolarHBondContact OD1-CA 3.13Å; N99-S171 WeakPolarHBondContact OD1-CB 3.38Å; F164-S171 WeakPolarHBondContact CB-OG 3.19Å; S165-S171 PolarHBondContact N-OG 3.01Å; S165-S171 PolarHBondContact O-OG 3.07Å; D168-S171 PolarHBondContact O-N 3.44Å; D168-S171 PolarHBondContact O-OG 3.49Å; D168-S171 VanDerWaalsContact OD2-CB 3.29Å; D168-S171 WeakPolarHBondContact OD2-CB 3.36Å; D168-S171 PolarHBondContact OD2-N 3.1Å; S171-Q173 PolarHBondContact O-N 2.98Å; S171-T174 PolarHBondContact O-N 2.75Å; S171-V175 PolarHBondContact O-N 3.31Å; S171-V175 VanDerWaalsContact O-N 3.14Å
172F96.2Very high95.1Very high23 Ų2338.4 Ų38.410%0.10118%0.181CC..Hα-helixtrans-63.2-41.7180179.5-103.3000112.7F164 D168 E169 I170 I210 R214 L218F164-F172 HydrophobicContact CD1-CD2 4.37Å; F164-F172 HydrophobicContact CD2-CB 3.98Å; F164-F172 AromaticContact CD2-CD2 3.72Å; F164-F172 HydrophobicContact CD2-CD2 3.72Å; F164-F172 HydrophobicContact CD2-CG 4.34Å; F164-F172 HydrophobicContact CE1-CD2 4.28Å; F164-F172 AromaticContact CE2-CD2 3.61Å; F164-F172 HydrophobicContact CE2-CD2 3.61Å; F164-F172 HydrophobicContact CE2-CE2 4.31Å; F164-F172 HydrophobicContact CG-CB 4.41Å; F164-F172 HydrophobicContact CG-CD2 4.11Å; F164-F172 AromaticContact CZ-CD2 3.91Å; F164-F172 HydrophobicContact CZ-CD2 3.91Å; F164-F172 HydrophobicContact CZ-CE2 4.24Å; D168-F172 PolarHBondContact O-N 2.68Å; E169-F172 PolarHBondContact O-N 3.34Å; I170-F172 VanDerWaalsContact C-N 3.31Å; I170-F172 PolarHBondContact O-N 2.9Å; F172-I210 HydrophobicContact CB-CD1 3.64Å; F172-I210 HydrophobicContact CB-CG1 3.91Å; F172-I210 HydrophobicContact CD1-CG1 4.3Å; F172-I210 HydrophobicContact CD2-CG1 4.23Å; F172-I210 HydrophobicContact CD2-CG2 3.8Å; F172-I210 HydrophobicContact CE2-CG2 3.83Å; F172-I210 HydrophobicContact CG-CD1 4.17Å; F172-I210 HydrophobicContact CG-CG1 3.89Å; F172-I210 HydrophobicContact CG-CG2 4.24Å; F172-I210 HydrophobicContact CZ-CG2 4.32Å; F172-R214 HydrophobicContact CZ-CB 4.16Å; F172-L218 HydrophobicContact CD2-CD2 3.78Å; F172-L218 HydrophobicContact CE2-CB 3.89Å; F172-L218 HydrophobicContact CE2-CD2 3.39Å; F172-L218 HydrophobicContact CE2-CG 4.26Å; F172-L218 HydrophobicContact CZ-CB 3.89Å; F172-L218 HydrophobicContact CZ-CD2 3.91Å; F172-L218 HydrophobicContact CZ-CG 4.44Å
173Q94.7Very high94.8Very high108 Ų10840.6 Ų40.651%0.50520%0.196SC..Hα-helixtrans-70.9-34.8175.2-66.9178.523.200112.1E169 I170 S171 V175 Y176 N177E169-Q173 WeakPolarHBondContact O-CG 3.4Å; E169-Q173 PolarHBondContact O-N 3.32Å; E169-Q173 PolarHBondContact OE1-NE2 3.33Å; I170-Q173 PolarHBondContact O-N 3.26Å; S171-Q173 PolarHBondContact O-N 2.98Å; Q173-V175 PolarHBondContact O-N 3.27Å; Q173-Y176 PolarHBondContact O-N 3.27Å; Q173-N177 PolarHBondContact O-ND2 3.18Å
174T95.4Very high94.6Very high23 Ų2344.7 Ų44.714%0.14122%0.224CC..Hα-helixtrans-64-40-179.6-58.70000112.1N99 I170 S171 Y176 N177 Y178N99-T174 HydrophobicContact CB-CG2 4.18Å; I170-T174 WeakPolarHBondContact O-CB 3.2Å; I170-T174 PolarHBondContact O-N 3.48Å; I170-T174 PolarHBondContact O-OG1 3.47Å; S171-T174 PolarHBondContact O-N 2.75Å; T174-Y176 VanDerWaalsContact C-N 3.28Å; T174-Y176 PolarHBondContact O-N 2.9Å; T174-N177 PolarHBondContact O-N 3.01Å; T174-N177 VanDerWaalsContact O-N 3.12Å; T174-Y178 HydrophobicContact CG2-CD1 3.79Å; T174-Y178 HydrophobicContact CG2-CD2 3.98Å; T174-Y178 HydrophobicContact CG2-CE1 3.4Å; T174-Y178 VanDerWaalsContact CG2-CE1 3.4Å; T174-Y178 HydrophobicContact CG2-CE2 3.67Å; T174-Y178 HydrophobicContact CG2-CG 4.08Å; T174-Y178 PolarHBondContact O-N 3.45Å
175V95.6Very high94.4Very high1 Ų148.6 Ų48.61%0.00624%0.241CC..Hα-helixtrans-53.8-41.5175.8162.90000112.8F162 V163 F164 S171 Q173 Y178 F179 L195 L218 L222F162-V175 HydrophobicContact CB-CG1 3.73Å; F162-V175 HydrophobicContact CB-CG2 4.28Å; F162-V175 HydrophobicContact CD1-CG1 4.01Å; F162-V175 HydrophobicContact CG-CG1 4.03Å; V163-V175 VanDerWaalsContact O-CG2 3.29Å; V163-V175 WeakPolarHBondContact O-CG2 3.45Å; F164-V175 HydrophobicContact CB-CG2 3.99Å; S171-V175 PolarHBondContact O-N 3.31Å; S171-V175 VanDerWaalsContact O-N 3.14Å; Q173-V175 PolarHBondContact O-N 3.27Å; V175-Y178 PolarHBondContact O-N 3.22Å; V175-F179 WeakPolarHBondContact O-CB 3.45Å; V175-F179 PolarHBondContact O-N 2.88Å; V175-L195 HydrophobicContact CG1-CD1 3.8Å; V175-L218 HydrophobicContact CB-CD2 4.43Å; V175-L218 HydrophobicContact CG1-CD2 3.99Å; V175-L222 HydrophobicContact CG1-CD2 3.88Å
176Y93.2Very high94Very high101 Ų10151.5 Ų51.540%0.39625%0.252SS..Hα-helixtrans-65.7-41.9179.4-176-102.6000112Q173 T174 F179 L180 L218 L222Q173-Y176 PolarHBondContact O-N 3.27Å; T174-Y176 VanDerWaalsContact C-N 3.28Å; T174-Y176 PolarHBondContact O-N 2.9Å; Y176-F179 PolarHBondContact O-N 3.22Å; Y176-L180 HydrophobicContact CD1-CD1 4.08Å; Y176-L180 HydrophobicContact CE1-CD1 3.57Å; Y176-L180 HydrophobicContact CE1-CG 4.17Å; Y176-L180 WeakPolarHBondContact O-CG 3.32Å; Y176-L180 PolarHBondContact O-N 3.33Å; Y176-L218 HydrophobicContact CD2-CD1 3.92Å; Y176-L218 HydrophobicContact CG-CD1 4.44Å; Y176-L222 HydrophobicContact CD2-CD1 4.14Å
177N94.3Very high93.5Very high97 Ų9755.3 Ų55.352%0.51927%0.272SS..Hα-helixtrans-65.5-40.5176.4-64.4-40.6000111.7Q173 T174 L180 R181Q173-N177 PolarHBondContact O-ND2 3.18Å; T174-N177 PolarHBondContact O-N 3.01Å; T174-N177 VanDerWaalsContact O-N 3.12Å; N177-L180 PolarHBondContact O-N 2.73Å; N177-R181 PolarHBondContact O-N 3.07Å
178Y95.2Very high92.9Very high37 Ų3755 Ų5515%0.14527%0.273CS..Hα-helixtrans-68.4-36.4177.6-72.79.2000111.7V97 G98 P148 P149 T174 V175 R181 L182V97-Y178 HydrophobicContact CG1-CD2 3.55Å; V97-Y178 HydrophobicContact CG1-CE2 4.47Å; V97-Y178 HydrophobicContact CG1-CG 4.21Å; G98-Y178 WeakPolarHBondContact O-CE2 3.28Å; P148-Y178 HydrophobicContact CB-CD1 3.98Å; P148-Y178 HydrophobicContact CB-CE1 3.51Å; P149-Y178 WeakPolarHBondContact CG-O 3.38Å; T174-Y178 HydrophobicContact CG2-CD1 3.79Å; T174-Y178 HydrophobicContact CG2-CD2 3.98Å; T174-Y178 HydrophobicContact CG2-CE1 3.4Å; T174-Y178 VanDerWaalsContact CG2-CE1 3.4Å; T174-Y178 HydrophobicContact CG2-CE2 3.67Å; T174-Y178 HydrophobicContact CG2-CG 4.08Å; T174-Y178 PolarHBondContact O-N 3.45Å; V175-Y178 PolarHBondContact O-N 3.22Å; Y178-R181 PolarHBondContact O-N 3.21Å; Y178-L182 WeakPolarHBondContact O-CB 3.1Å; Y178-L182 PolarHBondContact O-N 3.15Å
179F94.3Very high92.4Very high13 Ų1357.7 Ų57.76%0.05729%0.294CS..Hα-helixtrans-62.1-44.8171.2166.1-105.5000112.5F162 V175 Y176 R181 L182 C183 A188 M193 L222 K223F162-F179 HydrophobicContact CE1-CB 4.15Å; F162-F179 HydrophobicContact CE2-CB 4.44Å; F162-F179 HydrophobicContact CE2-CD2 4.27Å; F162-F179 HydrophobicContact CZ-CB 3.92Å; F162-F179 HydrophobicContact CZ-CD2 4.33Å; V175-F179 WeakPolarHBondContact O-CB 3.45Å; V175-F179 PolarHBondContact O-N 2.88Å; Y176-F179 PolarHBondContact O-N 3.22Å; F179-R181 VanDerWaalsContact C-N 3.33Å; F179-R181 PolarHBondContact O-N 3.18Å; F179-L182 PolarHBondContact O-N 3.28Å; F179-C183 WeakPolarHBondContact CE2-SG 3.19Å; F179-C183 WeakPolarHBondContact O-CB 3.49Å; F179-C183 PolarHBondContact O-N 3.06Å; F179-C183 PolarHBondContact O-SG 3.21Å; F179-A188 HydrophobicContact CE2-CB 4.39Å; F179-M193 HydrophobicContact CD2-CE 4.45Å; F179-M193 HydrophobicContact CD2-SD 3.89Å; F179-M193 HydrophobicContact CE2-CE 4.26Å; F179-M193 HydrophobicContact CE2-SD 3.73Å; F179-L222 HydrophobicContact CB-CD1 4.17Å; F179-L222 HydrophobicContact CB-CD2 4.3Å; F179-L222 HydrophobicContact CB-CG 4.07Å; F179-L222 HydrophobicContact CD1-CD1 3.66Å; F179-L222 HydrophobicContact CD1-CG 3.95Å; F179-L222 HydrophobicContact CD2-CD1 4.39Å; F179-L222 HydrophobicContact CD2-CD2 4.5Å; F179-L222 HydrophobicContact CD2-CG 3.75Å; F179-L222 HydrophobicContact CE1-CD1 4.1Å; F179-L222 HydrophobicContact CE1-CG 4.31Å; F179-L222 HydrophobicContact CE2-CB 4.45Å; F179-L222 HydrophobicContact CE2-CG 4.13Å; F179-L222 HydrophobicContact CG-CD1 3.82Å; F179-L222 HydrophobicContact CG-CD2 4.37Å; F179-L222 HydrophobicContact CG-CG 3.64Å; F179-L222 HydrophobicContact CZ-CG 4.39Å; F179-K223 HydrophobicContact CE2-CG 4.42Å; F179-K223 HydrophobicContact CZ-CG 4.23Å
180L93.2Very high91.9Very high80 Ų8059 Ų5942%0.41930%0.3SS..Hα-helixtrans-61.4-41.4176-70.4178.9000111.9Y176 N177 C183 S184Y176-L180 HydrophobicContact CD1-CD1 4.08Å; Y176-L180 HydrophobicContact CE1-CD1 3.57Å; Y176-L180 HydrophobicContact CE1-CG 4.17Å; Y176-L180 WeakPolarHBondContact O-CG 3.32Å; Y176-L180 PolarHBondContact O-N 3.33Å; N177-L180 PolarHBondContact O-N 2.73Å; L180-C183 WeakPolarHBondContact O-CB 3.2Å; L180-C183 PolarHBondContact O-N 3.45Å; L180-S184 PolarHBondContact O-N 3.21Å; L180-S184 VanDerWaalsContact O-N 3.08Å
181R93.7Very high91.8Very high96 Ų9653.7 Ų53.736%0.36227%0.274SS..Hα-helixtrans-66.8-39.2177-174.7170.9166.2140.5-8.4112.6P149 N177 Y178 F179 C183 S184 F185P149-R181 WeakPolarHBondContact O-CD 3.46Å; P149-R181 WeakPolarHBondContact O-CG 3.25Å; P149-R181 PolarHBondContact O-NE 3.4Å; N177-R181 PolarHBondContact O-N 3.07Å; Y178-R181 PolarHBondContact O-N 3.21Å; F179-R181 VanDerWaalsContact C-N 3.33Å; F179-R181 PolarHBondContact O-N 3.18Å; R181-C183 VanDerWaalsContact C-N 3.32Å; R181-C183 PolarHBondContact O-N 2.92Å; R181-S184 PolarHBondContact O-N 2.93Å; R181-S184 PolarHBondContact O-OG 3.42Å; R181-F185 HydrophobicContact CG-CE2 3.89Å; R181-F185 VanDerWaalsContact O-CD2 3.25Å; R181-F185 WeakPolarHBondContact O-CD2 3.37Å
182L93.2Very high91.7Very high3 Ų354.8 Ų54.82%0.01628%0.281CS..Hα-helixtrans-61-43.4171.1-17668.6000111P149 F153 A154 V160 F162 Y178 F179 S184 F185 R186 M193P149-L182 HydrophobicContact CG-CB 4.38Å; F153-L182 HydrophobicContact CD1-CD1 4.38Å; F153-L182 HydrophobicContact CE1-CD1 4.3Å; A154-L182 HydrophobicContact CB-CD1 3.72Å; V160-L182 HydrophobicContact CB-CD2 4.28Å; V160-L182 HydrophobicContact CG1-CD2 4.36Å; V160-L182 HydrophobicContact CG2-CD2 3.9Å; F162-L182 HydrophobicContact CE2-CD2 4.24Å; F162-L182 HydrophobicContact CZ-CD2 3.78Å; Y178-L182 WeakPolarHBondContact O-CB 3.1Å; Y178-L182 PolarHBondContact O-N 3.15Å; F179-L182 PolarHBondContact O-N 3.28Å; L182-S184 VanDerWaalsContact C-N 3.26Å; L182-S184 PolarHBondContact O-N 3.44Å; L182-F185 PolarHBondContact O-N 2.91Å; L182-F185 VanDerWaalsContact O-N 3.12Å; L182-R186 PolarHBondContact O-N 2.89Å; L182-M193 HydrophobicContact CD2-CE 3.79Å
183C92.1Very high91.6Very high47 Ų4754.4 Ų54.432%0.31828%0.279SS..Hα-helixtrans-64.8-23177.4-67.40000114.1F179 L180 R181 F185 R186F179-C183 WeakPolarHBondContact CE2-SG 3.19Å; F179-C183 WeakPolarHBondContact O-CB 3.49Å; F179-C183 PolarHBondContact O-N 3.06Å; F179-C183 PolarHBondContact O-SG 3.21Å; L180-C183 WeakPolarHBondContact O-CB 3.2Å; L180-C183 PolarHBondContact O-N 3.45Å; R181-C183 VanDerWaalsContact C-N 3.32Å; R181-C183 PolarHBondContact O-N 2.92Å; C183-F185 VanDerWaalsContact C-N 3.32Å; C183-R186 WeakPolarHBondContact CA-O 3.35Å
184S92.8Very high91.7Very high86 Ų8649.2 Ų49.260%0.60126%0.255SS*.Hα-helixtrans-76.4-18.1174.160.50000113.7L180 R181 L182L180-S184 PolarHBondContact O-N 3.21Å; L180-S184 VanDerWaalsContact O-N 3.08Å; R181-S184 PolarHBondContact O-N 2.93Å; R181-S184 PolarHBondContact O-OG 3.42Å; L182-S184 VanDerWaalsContact C-N 3.26Å; L182-S184 PolarHBondContact O-N 3.44Å
185F91.7Very high91.8Very high81 Ų8148.1 Ų48.136%0.35525%0.248SC..Hα-helixtrans-102.8-31178.4-59.6-48.1000113.5L151 A154 R181 L182 C183L151-F185 HydrophobicContact CB-CD1 3.96Å; L151-F185 HydrophobicContact CB-CE1 4.13Å; L151-F185 HydrophobicContact CB-CG 4.18Å; L151-F185 HydrophobicContact CB-CZ 4.48Å; L151-F185 HydrophobicContact CD1-CB 3.93Å; L151-F185 HydrophobicContact CD1-CD1 3.92Å; L151-F185 HydrophobicContact CD1-CG 4.11Å; L151-F185 HydrophobicContact CG-CD1 4.47Å; A154-F185 HydrophobicContact CB-CB 3.62Å; A154-F185 HydrophobicContact CB-CD2 4.31Å; A154-F185 HydrophobicContact CB-CG 4.4Å; R181-F185 HydrophobicContact CG-CE2 3.89Å; R181-F185 VanDerWaalsContact O-CD2 3.25Å; R181-F185 WeakPolarHBondContact O-CD2 3.37Å; L182-F185 PolarHBondContact O-N 2.91Å; L182-F185 VanDerWaalsContact O-N 3.12Å; C183-F185 VanDerWaalsContact C-N 3.32Å
186R88.8Confident91.9Very high63 Ų6348.1 Ų48.124%0.23825%0.248CC..SBendtrans-148.5146.4-178.7-169.9166.7170.5-162.8-8.6112.7A154 V157 L182 C183 A188 E190 V191A154-R186 HydrophobicContact CB-CB 4.47Å; A154-R186 WeakPolarHBondContact O-CD 3.36Å; A154-R186 PolarHBondContact O-NH1 2.91Å; V157-R186 PolarHBondContact O-NH1 2.62Å; L182-R186 PolarHBondContact O-N 2.89Å; C183-R186 WeakPolarHBondContact CA-O 3.35Å; R186-A188 PolarHBondContact O-N 3.07Å; R186-E190 IonicContact NE-OE2 2.88Å; R186-V191 HydrophobicContact CG-CG2 4.23Å
187N85.8Confident92.1Very high80 Ų8043.3 Ų43.343%0.42823%0.229SC..  trans-66116.8178.6169.614.9000111.4S189 E190N187-S189 PolarHBondContact ND2-OG 2.92Å; N187-S189 PolarHBondContact O-N 3.02Å; N187-S189 PolarHBondContact OD1-N 2.94Å; N187-S189 VanDerWaalsContact OD1-N 3.1Å; N187-S189 PolarHBondContact OD1-OG 2.61Å; N187-E190 HydrophobicContact CB-CG 4.45Å; N187-E190 WeakPolarHBondContact CB-OE1 3.33Å; N187-E190 PolarHBondContact ND2-OE1 3.18Å; N187-E190 WeakPolarHBondContact O-CB 3.48Å; N187-E190 PolarHBondContact O-N 2.99Å
188A81.1Confident92.2Very high13 Ų1338.7 Ų38.711%0.10721%0.205CC..THydrogen-bonded Turntrans-62.4-3-178.100000116F179 R186 M193 K223F179-A188 HydrophobicContact CE2-CB 4.39Å; R186-A188 PolarHBondContact O-N 3.07Å; A188-M193 HydrophobicContact CB-CE 3.6Å; A188-K223 HydrophobicContact CB-CG 4.08Å
189S83.2Confident92.2Very high87 Ų8738.9 Ų38.961%0.60821%0.207SC*.THydrogen-bonded Turntrans-87-9.6170.159.70000114.3N187N187-S189 PolarHBondContact ND2-OG 2.92Å; N187-S189 PolarHBondContact O-N 3.02Å; N187-S189 PolarHBondContact OD1-N 2.94Å; N187-S189 VanDerWaalsContact OD1-N 3.1Å; N187-S189 PolarHBondContact OD1-OG 2.61Å
190E85.8Confident92.1Very high84 Ų8439.2 Ų39.239%0.39321%0.209SC..SBendtrans-100-9.1-179-66.4161-151.200113.7R186 N187 L252R186-E190 IonicContact NE-OE2 2.88Å; N187-E190 HydrophobicContact CB-CG 4.45Å; N187-E190 WeakPolarHBondContact CB-OE1 3.33Å; N187-E190 PolarHBondContact ND2-OE1 3.18Å; N187-E190 WeakPolarHBondContact O-CB 3.48Å; N187-E190 PolarHBondContact O-N 2.99Å; E190-L252 WeakPolarHBondContact O-CD2 3.42Å
191V91.5Very high91.9Very high5 Ų537.4 Ų37.43%0.0321%0.206CC..SBendtrans-125.7109.6-175.7-179.30000107.5V157 V160 R186 M193V157-V191 HydrophobicContact CG2-CG1 4.16Å; V160-V191 HydrophobicContact CB-CG1 4.45Å; V160-V191 HydrophobicContact CG2-CG1 3.94Å; R186-V191 HydrophobicContact CG-CG2 4.23Å; V191-M193 HydrophobicContact CB-CE 4.43Å; V191-M193 PolarHBondContact O-N 2.9Å
192P93.8Very high91.7Very high23 Ų2335.9 Ų35.915%0.14920%0.204CC..  trans-62.1137.9174.1-22.234.8000111.1D158 A159 V160 K248 L252D158-P192 WeakPolarHBondContact O-CD 3.31Å; A159-P192 WeakPolarHBondContact CA-O 3.46Å; A159-P192 HydrophobicContact CB-CB 4.22Å; A159-P192 HydrophobicContact CB-CG 4.49Å; A159-P192 VanDerWaalsContact CB-O 3.3Å; A159-P192 WeakPolarHBondContact CB-O 3.49Å; V160-P192 PolarHBondContact N-O 3.43Å; P192-K248 HydrophobicContact CB-CB 3.66Å; P192-K248 HydrophobicContact CB-CD 4.13Å; P192-K248 HydrophobicContact CB-CG 4.43Å; P192-K248 HydrophobicContact CG-CB 4Å; P192-L252 HydrophobicContact CG-CD2 3.93Å
193M94.3Very high91.5Very high14 Ų1438.5 Ų38.57%0.06922%0.223CC..EExtended strand (participates in β ladder)trans-119.8147.3-177.6-62.9176.4-171.200111.2V160 F162 F179 L182 A188 V191 C225V160-M193 WeakPolarHBondContact O-CA 3.47Å; F162-M193 HydrophobicContact CE2-CG 4.28Å; F162-M193 HydrophobicContact CE2-SD 3.98Å; F179-M193 HydrophobicContact CD2-CE 4.45Å; F179-M193 HydrophobicContact CD2-SD 3.89Å; F179-M193 HydrophobicContact CE2-CE 4.26Å; F179-M193 HydrophobicContact CE2-SD 3.73Å; L182-M193 HydrophobicContact CD2-CE 3.79Å; A188-M193 HydrophobicContact CB-CE 3.6Å; V191-M193 HydrophobicContact CB-CE 4.43Å; V191-M193 PolarHBondContact O-N 2.9Å; M193-C225 HydrophobicContact CB-CB 3.98Å; M193-C225 WeakPolarHBondContact O-CB 3.44Å
194V96.5Very high91.2Very high0 Ų041.8 Ų41.80%025%0.254CS..EExtended strand (participates in β ladder)trans-132.8141.9170.1-178.60000108.3V160 V161 F162 V196 Y228 V241 D244 V245V160-V194 PolarHBondContact O-N 3.34Å; V160-V194 VanDerWaalsContact O-N 3.09Å; V161-V194 WeakPolarHBondContact CA-O 3.29Å; F162-V194 PolarHBondContact N-O 3.23Å; V194-V196 HydrophobicContact CG1-CG2 4.21Å; V194-Y228 HydrophobicContact CG1-CD2 3.68Å; V194-Y228 HydrophobicContact CG1-CE2 3.93Å; V194-V241 HydrophobicContact CG1-CG1 4.24Å; V194-D244 WeakPolarHBondContact CG2-OD2 3.39Å; V194-V245 HydrophobicContact CB-CG2 4.13Å; V194-V245 HydrophobicContact CG2-CG2 3.52Å
195L97.7Very high90.9Very high0 Ų042.2 Ų42.20%026%0.262CS..EExtended strand (participates in β ladder)trans-110.3133.6174.3-178.967.4000109.4F162 F164 V175 L218 L222 T226 Y227 Y228F162-L195 HydrophobicContact CB-CD1 3.92Å; F162-L195 CarbonylContact O-C 3.52Å; F164-L195 HydrophobicContact CD1-CD1 3.81Å; F164-L195 HydrophobicContact CD1-CG 4.34Å; F164-L195 HydrophobicContact CE1-CD1 3.84Å; F164-L195 HydrophobicContact CE1-CD2 4.15Å; F164-L195 HydrophobicContact CE1-CG 3.87Å; V175-L195 HydrophobicContact CG1-CD1 3.8Å; L195-L218 HydrophobicContact CD1-CD2 4.25Å; L195-L218 HydrophobicContact CD2-CB 4.2Å; L195-L218 HydrophobicContact CD2-CD2 4.12Å; L195-L218 HydrophobicContact CD2-CG 4.1Å; L195-L222 HydrophobicContact CD1-CD2 4.33Å; L195-T226 PolarHBondContact N-O 3.42Å; L195-Y227 HydrophobicContact CB-CD2 4.28Å; L195-Y227 HydrophobicContact CD2-CD2 4.01Å; L195-Y227 HydrophobicContact CG-CD2 3.96Å; L195-Y227 WeakPolarHBondContact O-CA 3.37Å; L195-Y228 PolarHBondContact O-N 3.19Å
196V97.8Very high90.7Very high0 Ų041.6 Ų41.60%026%0.263CS..EExtended strand (participates in β ladder)trans-128.1125.5-176.21780000110.1L107 V161 F162 V163 F164 V194 T198 Y228 T230 V241L107-V196 HydrophobicContact CD2-CG1 3.98Å; V161-V196 HydrophobicContact CG1-CB 4.32Å; V161-V196 HydrophobicContact CG1-CG2 3.51Å; F162-V196 PolarHBondContact O-N 2.98Å; V163-V196 WeakPolarHBondContact CA-O 3.47Å; V163-V196 HydrophobicContact CG1-CB 4.49Å; V163-V196 HydrophobicContact CG1-CG1 4.39Å; F164-V196 WeakPolarHBondContact CD1-O 3.21Å; F164-V196 WeakPolarHBondContact CE1-O 3.49Å; F164-V196 PolarHBondContact N-O 3.47Å; V194-V196 HydrophobicContact CG1-CG2 4.21Å; V196-T198 HydrophobicContact CG1-CG2 4.33Å; V196-Y228 WeakPolarHBondContact CA-O 3.29Å; V196-T230 HydrophobicContact CG1-CG2 3.71Å; V196-T230 WeakPolarHBondContact CG1-OG1 3.39Å; V196-V241 HydrophobicContact CG2-CG1 3.82Å; V196-V241 HydrophobicContact CG2-CG2 3.84Å
197G97.5Very high90.7Very high0 Ų042.4 Ų42.40%028%0.276CS..EExtended strand (participates in β ladder)trans-102.9111.8166.900000110F164 Y228 E229 T230F164-G197 CarbonylContact O-C 3.59Å; F164-G197 VanDerWaalsContact O-CA 3.29Å; F164-G197 WeakPolarHBondContact O-CA 3.19Å; G197-Y228 PolarHBondContact N-O 3.46Å; G197-E229 CarbonylContact O-C 3.55Å; G197-E229 VanDerWaalsContact O-CA 3.25Å; G197-E229 WeakPolarHBondContact O-CA 3.2Å; G197-T230 PolarHBondContact O-N 3.28Å
198T96.8Very high91.2Very high1 Ų142.7 Ų42.71%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-77.8153.217658.80000110.8S102 V163 F164 S165 L166 V196 D200 T230S102-T198 VanDerWaalsContact O-CG2 3.25Å; S102-T198 WeakPolarHBondContact O-CG2 3.36Å; S102-T198 PolarHBondContact O-OG1 3.23Å; V163-T198 HydrophobicContact CG1-CG2 3.69Å; F164-T198 PolarHBondContact O-N 3.3Å; F164-T198 PolarHBondContact O-OG1 2.94Å; S165-T198 WeakPolarHBondContact CA-OG1 3.24Å; L166-T198 VanDerWaalsContact CB-O 3.26Å; L166-T198 WeakPolarHBondContact CB-O 3.47Å; L166-T198 WeakPolarHBondContact CD1-O 3.46Å; L166-T198 VanDerWaalsContact CG-O 3.31Å; L166-T198 WeakPolarHBondContact CG-O 3.49Å; L166-T198 PolarHBondContact N-O 2.81Å; V196-T198 HydrophobicContact CG1-CG2 4.33Å; T198-D200 WeakPolarHBondContact CB-OD2 3.3Å; T198-T230 CarbonylContact C-O 3.51Å; T198-T230 WeakPolarHBondContact CA-O 3.36Å
199Q95.1Very high91.9Very high40 Ų4045.3 Ų45.319%0.18729%0.286CS..  trans-11610.8179.8-66.1-178.2-1.700112.2L166 A201 I202 E229 T230 C231 Y234L166-Q199 HydrophobicContact CD1-CG 3.63Å; Q199-A201 PolarHBondContact O-N 3.41Å; Q199-I202 HydrophobicContact CB-CD1 3.69Å; Q199-I202 HydrophobicContact CB-CG1 4.28Å; Q199-I202 HydrophobicContact CG-CD1 3.81Å; Q199-I202 WeakPolarHBondContact O-CB 3.27Å; Q199-I202 WeakPolarHBondContact O-CG1 3.47Å; Q199-I202 PolarHBondContact O-N 3.01Å; Q199-I202 VanDerWaalsContact O-N 3.15Å; Q199-E229 PolarHBondContact NE2-OE2 2.99Å; Q199-T230 PolarHBondContact N-O 2.89Å; Q199-C231 HydrophobicContact CB-CB 4.18Å; Q199-Y234 PolarHBondContact OE1-OH 3.5Å
200D91.7Very high92.5Very high21 Ų2141.1 Ų41.111%0.11226%0.257CS..THydrogen-bonded Turntrans-73.9-28.1-155.7-68.5-57.8000114.3Y116 T198 C231 A232 T233Y116-D200 HydrophobicContact CE2-CB 4.44Å; T198-D200 WeakPolarHBondContact CB-OD2 3.3Å; D200-C231 VanDerWaalsContact OD1-C 3.28Å; D200-C231 VanDerWaalsContact OD1-CA 3.28Å; D200-C231 WeakPolarHBondContact OD1-CA 3.28Å; D200-C231 PolarHBondContact OD1-SG 2.85Å; D200-A232 VanDerWaalsContact CG-N 3.32Å; D200-A232 WeakPolarHBondContact OD1-CA 3.49Å; D200-A232 PolarHBondContact OD1-N 3.17Å; D200-A232 PolarHBondContact OD2-N 3.37Å; D200-T233 PolarHBondContact OD1-N 3.3Å; D200-T233 VanDerWaalsContact OD1-N 3.08Å; D200-T233 PolarHBondContact OD1-OG1 2.84Å
201A89Confident92.9Very high42 Ų4240.4 Ų40.435%0.34726%0.255SS..THydrogen-bonded Turntrans-101.69.3171.900000113.9E167 Q199 S203 N206E167-A201 HydrophobicContact CG-CB 4.16Å; E167-A201 WeakPolarHBondContact OE1-CB 3.39Å; E167-A201 PolarHBondContact OE1-N 3.2Å; Q199-A201 PolarHBondContact O-N 3.41Å; A201-S203 PolarHBondContact O-N 3.02Å; A201-N206 PolarHBondContact O-ND2 2.81Å
202I89.9Confident92.9Very high63 Ų6343.1 Ų43.132%0.32327%0.27SS..  trans-66121.7176.6-59.4-179.4000109.9L166 E167 Q199 N206 R208L166-I202 HydrophobicContact CB-CD1 4.09Å; E167-I202 HydrophobicContact CB-CG1 4.5Å; E167-I202 HydrophobicContact CG-CG1 4.46Å; E167-I202 WeakPolarHBondContact OE2-CG1 3.24Å; Q199-I202 HydrophobicContact CB-CD1 3.69Å; Q199-I202 HydrophobicContact CB-CG1 4.28Å; Q199-I202 HydrophobicContact CG-CD1 3.81Å; Q199-I202 WeakPolarHBondContact O-CB 3.27Å; Q199-I202 WeakPolarHBondContact O-CG1 3.47Å; Q199-I202 PolarHBondContact O-N 3.01Å; Q199-I202 VanDerWaalsContact O-N 3.15Å; I202-N206 WeakPolarHBondContact CA-O 3.44Å; I202-R208 HydrophobicContact CD1-CB 4.21Å
203S88.5Confident93Very high59 Ų5945.9 Ų45.941%0.41329%0.29SS..  trans-146178.3176.968.10000111.8A201 A205 N206A201-S203 PolarHBondContact O-N 3.02Å; S203-A205 PolarHBondContact O-N 2.86Å; S203-A205 PolarHBondContact OG-N 2.65Å; S203-N206 PolarHBondContact N-O 3.19Å; S203-N206 CarbonylContact O-C 3.31Å; S203-N206 VanDerWaalsContact O-C 3.31Å; S203-N206 PolarHBondContact O-N 3.2Å; S203-N206 VanDerWaalsContact O-O 3.14Å; S203-N206 PolarHBondContact OG-N 3.23Å
204A85.8Confident93Very high116 Ų11648.8 Ų48.896%0.95930%0.3SS*.SBendtrans-65.5-20171.800000113.2
205A87.5Confident93Very high95 Ų9548.8 Ų48.879%0.78530%0.3SS*.SBendtrans-93.9-28.3175.300000112.8S203S203-A205 PolarHBondContact O-N 2.86Å; S203-A205 PolarHBondContact OG-N 2.65Å
206N86.7Confident92.8Very high67 Ų6754.5 Ų54.536%0.35832%0.321SS..SBendtrans-124.183.7-179.2-167.523.1000110.2E167 A201 I202 S203E167-N206 WeakPolarHBondContact CG-ND2 3.41Å; A201-N206 PolarHBondContact O-ND2 2.81Å; I202-N206 WeakPolarHBondContact CA-O 3.44Å; S203-N206 PolarHBondContact N-O 3.19Å; S203-N206 CarbonylContact O-C 3.31Å; S203-N206 VanDerWaalsContact O-C 3.31Å; S203-N206 PolarHBondContact O-N 3.2Å; S203-N206 VanDerWaalsContact O-O 3.14Å; S203-N206 PolarHBondContact OG-N 3.23Å
207P89.6Confident92.7Very high80 Ų8061.1 Ų61.152%0.51935%0.35SS..  trans-81.4151.5-173.132.9-35.6000112.7V209P207-V209 WeakPolarHBondContact O-CG1 3.4Å; P207-V209 PolarHBondContact O-N 2.98Å
208R96.1Very high92.5Very high86 Ų8661.6 Ų61.633%0.32535%0.353SS..  trans-51.7124.1172176.2170.1-178.6158.66.9112.5L166 I202 I210 E229L166-R208 HydrophobicContact CB-CG 4.22Å; L166-R208 CarbonylContact O-C 3.59Å; L166-R208 WeakPolarHBondContact O-CA 3.45Å; I202-R208 HydrophobicContact CD1-CB 4.21Å; R208-I210 PolarHBondContact NE-O 2.61Å; R208-I210 PolarHBondContact NH2-O 2.89Å; R208-E229 IonicContact CZ-OE1 2.89Å; R208-E229 VanDerWaalsContact CZ-OE1 3.23Å; R208-E229 IonicContact CZ-OE2 3.75Å; R208-E229 IonicContact NH1-OE1 2.78Å; R208-E229 PolarHBondContact NH1-OE1 3.28Å; R208-E229 IonicContact NH1-OE2 2.8Å; R208-E229 PolarHBondContact NH1-OE2 3.25Å; R208-E229 IonicContact NH2-OE1 3.97Å; R208-E229 PolarHBondContact NH2-OE1 2.89Å; R208-E229 IonicContact NH2-OE2 2.75Å
209V95.1Very high92.4Very high68 Ų6862.1 Ų62.141%0.41236%0.356SS..  trans-106.8-23.6178.3-53.30000113.5L166 E167 E169 P207 R214L166-V209 PolarHBondContact O-N 2.94Å; E167-V209 VanDerWaalsContact O-CG2 3.3Å; E167-V209 WeakPolarHBondContact O-CG2 3.4Å; E169-V209 HydrophobicContact CB-CG2 4.2Å; P207-V209 WeakPolarHBondContact O-CG1 3.4Å; P207-V209 PolarHBondContact O-N 2.98Å; V209-R214 PolarHBondContact O-NH1 3.09Å
210I95.7Very high92.2Very high0 Ų063.8 Ų63.80%037%0.369CS..SBendtrans-99.4110.1177-61.8120000110.3F164 S165 L166 F172 R208 R214 A215F164-I210 HydrophobicContact CD2-CD1 4.21Å; F164-I210 HydrophobicContact CE2-CB 4.32Å; F164-I210 HydrophobicContact CE2-CD1 4.31Å; F164-I210 HydrophobicContact CE2-CG2 3.89Å; F164-I210 HydrophobicContact CZ-CG2 4.45Å; S165-I210 WeakPolarHBondContact O-CD1 3.35Å; L166-I210 HydrophobicContact CD2-CB 4.22Å; L166-I210 HydrophobicContact CD2-CG2 4.35Å; L166-I210 WeakPolarHBondContact CD2-O 3.19Å; L166-I210 PolarHBondContact O-N 3.48Å; F172-I210 HydrophobicContact CB-CD1 3.64Å; F172-I210 HydrophobicContact CB-CG1 3.91Å; F172-I210 HydrophobicContact CD1-CG1 4.3Å; F172-I210 HydrophobicContact CD2-CG1 4.23Å; F172-I210 HydrophobicContact CD2-CG2 3.8Å; F172-I210 HydrophobicContact CE2-CG2 3.83Å; F172-I210 HydrophobicContact CG-CD1 4.17Å; F172-I210 HydrophobicContact CG-CG1 3.89Å; F172-I210 HydrophobicContact CG-CG2 4.24Å; F172-I210 HydrophobicContact CZ-CG2 4.32Å; R208-I210 PolarHBondContact NE-O 2.61Å; R208-I210 PolarHBondContact NH2-O 2.89Å; I210-R214 HydrophobicContact CG2-CB 4.14Å; I210-A215 HydrophobicContact CG2-CB 4.35Å
211D93.5Very high92.1Very high68 Ų6866.6 Ų66.636%0.36439%0.385SS..  trans-74.9160.8174.970.479.5000113.4S213 R214 A215D211-S213 PolarHBondContact O-N 2.92Å; D211-S213 VanDerWaalsContact OD1-CA 3.3Å; D211-S213 WeakPolarHBondContact OD1-CA 3.47Å; D211-S213 VanDerWaalsContact OD1-CB 3.23Å; D211-S213 WeakPolarHBondContact OD1-CB 3.28Å; D211-S213 PolarHBondContact OD1-N 2.95Å; D211-S213 PolarHBondContact OD1-OG 2.99Å; D211-R214 PolarHBondContact O-N 2.89Å; D211-R214 PolarHBondContact OD1-N 3.14Å; D211-R214 WeakPolarHBondContact OD2-CD 3.34Å; D211-R214 WeakPolarHBondContact OD2-CG 3.41Å; D211-A215 PolarHBondContact O-N 3.28Å; D211-A215 VanDerWaalsContact O-N 3.11Å
212D92.9Very high92.2Very high62 Ų6264.6 Ų64.633%0.33237%0.368SS..Hα-helixtrans-56.1-31.4179.6177.481000113.5R216D212-R216 WeakPolarHBondContact O-CB 3.29Å; D212-R216 VanDerWaalsContact O-CG 3.24Å; D212-R216 WeakPolarHBondContact O-CG 3.5Å; D212-R216 PolarHBondContact O-N 3.48Å; D212-R216 IonicContact OD1-CZ 3.3Å; D212-R216 IonicContact OD1-NE 3.05Å; D212-R216 PolarHBondContact OD1-NE 2.94Å; D212-R216 IonicContact OD1-NH2 3.79Å; D212-R216 PolarHBondContact OD1-NH2 3.4Å; D212-R216 WeakPolarHBondContact OD2-CD 3.3Å; D212-R216 IonicContact OD2-CZ 2.71Å; D212-R216 IonicContact OD2-NE 3.09Å; D212-R216 PolarHBondContact OD2-NE 2.92Å; D212-R216 IonicContact OD2-NH2 3.76Å
213S94.4Very high91.9Very high82 Ų8268.5 Ų68.557%0.57338%0.383SS*.Hα-helixtrans-75.3-37.8-179.782.50000112D211 K217D211-S213 PolarHBondContact O-N 2.92Å; D211-S213 VanDerWaalsContact OD1-CA 3.3Å; D211-S213 WeakPolarHBondContact OD1-CA 3.47Å; D211-S213 VanDerWaalsContact OD1-CB 3.23Å; D211-S213 WeakPolarHBondContact OD1-CB 3.28Å; D211-S213 PolarHBondContact OD1-N 2.95Å; D211-S213 PolarHBondContact OD1-OG 2.99Å; S213-K217 WeakPolarHBondContact O-CB 3.31Å; S213-K217 PolarHBondContact O-N 3.03Å
214R95.6Very high91.6Very high75 Ų7575.9 Ų75.928%0.28340%0.401SS..Hα-helixtrans-62.3-46.6171.2-68.7177.168.4-156.2-3.5111E169 F172 V209 I210 D211 K217 L218E169-R214 IonicContact OE1-CZ 2.72Å; E169-R214 IonicContact OE1-NH2 2.65Å; E169-R214 PolarHBondContact OE1-NH2 3.04Å; E169-R214 IonicContact OE2-CZ 3.85Å; E169-R214 IonicContact OE2-NH1 2.85Å; E169-R214 PolarHBondContact OE2-NH1 3.09Å; E169-R214 IonicContact OE2-NH2 2.97Å; E169-R214 PolarHBondContact OE2-NH2 3.43Å; F172-R214 HydrophobicContact CZ-CB 4.16Å; V209-R214 PolarHBondContact O-NH1 3.09Å; I210-R214 HydrophobicContact CG2-CB 4.14Å; D211-R214 PolarHBondContact O-N 2.89Å; D211-R214 PolarHBondContact OD1-N 3.14Å; D211-R214 WeakPolarHBondContact OD2-CD 3.34Å; D211-R214 WeakPolarHBondContact OD2-CG 3.41Å; R214-K217 WeakPolarHBondContact O-CB 3.13Å; R214-K217 PolarHBondContact O-N 3.24Å; R214-L218 PolarHBondContact O-N 2.88Å
215A95.2Very high91.9Very high0 Ų071 Ų710%036%0.36CS..Hα-helixtrans-64.7-42.7179.100000113.1F164 I210 D211 K217 L218 S219 Y227F164-A215 HydrophobicContact CZ-CB 3.89Å; I210-A215 HydrophobicContact CG2-CB 4.35Å; D211-A215 PolarHBondContact O-N 3.28Å; D211-A215 VanDerWaalsContact O-N 3.11Å; A215-K217 VanDerWaalsContact C-N 3.31Å; A215-K217 PolarHBondContact O-N 2.96Å; A215-L218 PolarHBondContact O-N 3.37Å; A215-S219 PolarHBondContact O-N 3.01Å; A215-Y227 HydrophobicContact CB-CD1 4.22Å; A215-Y227 HydrophobicContact CB-CD2 4.45Å; A215-Y227 HydrophobicContact CB-CE1 3.54Å; A215-Y227 HydrophobicContact CB-CE2 3.82Å; A215-Y227 WeakPolarHBondContact CB-OH 3.44Å
216R94.6Very high92.2Very high120 Ų12068.7 Ų68.745%0.45334%0.336SS..Hα-helixtrans-68.8-26.5174.4-71.1-179.6-163.6-60.2-15.6113.6D212 T220 Y227D212-R216 WeakPolarHBondContact O-CB 3.29Å; D212-R216 VanDerWaalsContact O-CG 3.24Å; D212-R216 WeakPolarHBondContact O-CG 3.5Å; D212-R216 PolarHBondContact O-N 3.48Å; D212-R216 IonicContact OD1-CZ 3.3Å; D212-R216 IonicContact OD1-NE 3.05Å; D212-R216 PolarHBondContact OD1-NE 2.94Å; D212-R216 IonicContact OD1-NH2 3.79Å; D212-R216 PolarHBondContact OD1-NH2 3.4Å; D212-R216 WeakPolarHBondContact OD2-CD 3.3Å; D212-R216 IonicContact OD2-CZ 2.71Å; D212-R216 IonicContact OD2-NE 3.09Å; D212-R216 PolarHBondContact OD2-NE 2.92Å; D212-R216 IonicContact OD2-NH2 3.76Å; R216-T220 WeakPolarHBondContact O-CB 3.29Å; R216-T220 PolarHBondContact O-N 3.45Å; R216-T220 VanDerWaalsContact O-N 3.11Å; R216-T220 PolarHBondContact O-OG1 3.45Å; R216-Y227 HydrophobicContact CG-CD1 3.97Å
217K94.4Very high92.7Very high138 Ų13866.5 Ų66.560%0.632%0.323SS*.Hα-helixtrans-65.4-53.4169-169.9-165168.8-166.10109.8S213 R214 A215 S219 T220 D221S213-K217 WeakPolarHBondContact O-CB 3.31Å; S213-K217 PolarHBondContact O-N 3.03Å; R214-K217 WeakPolarHBondContact O-CB 3.13Å; R214-K217 PolarHBondContact O-N 3.24Å; A215-K217 VanDerWaalsContact C-N 3.31Å; A215-K217 PolarHBondContact O-N 2.96Å; K217-S219 VanDerWaalsContact C-N 3.29Å; K217-S219 PolarHBondContact O-N 3.39Å; K217-T220 WeakPolarHBondContact O-CA 3.4Å; K217-T220 VanDerWaalsContact O-CB 3.31Å; K217-T220 WeakPolarHBondContact O-CB 3.33Å; K217-T220 PolarHBondContact O-N 2.84Å; K217-D221 WeakPolarHBondContact CE-OD2 3.33Å; K217-D221 PolarHBondContact O-N 3.18Å
218L94.2Very high93Very high11 Ų1165.2 Ų65.26%0.05831%0.308CS..Hα-helixtrans-55.8-43.1177.5-175.765.4000111.8F172 V175 Y176 L195 R214 A215 T220 D221 L222F172-L218 HydrophobicContact CD2-CD2 3.78Å; F172-L218 HydrophobicContact CE2-CB 3.89Å; F172-L218 HydrophobicContact CE2-CD2 3.39Å; F172-L218 HydrophobicContact CE2-CG 4.26Å; F172-L218 HydrophobicContact CZ-CB 3.89Å; F172-L218 HydrophobicContact CZ-CD2 3.91Å; F172-L218 HydrophobicContact CZ-CG 4.44Å; V175-L218 HydrophobicContact CB-CD2 4.43Å; V175-L218 HydrophobicContact CG1-CD2 3.99Å; Y176-L218 HydrophobicContact CD2-CD1 3.92Å; Y176-L218 HydrophobicContact CG-CD1 4.44Å; L195-L218 HydrophobicContact CD1-CD2 4.25Å; L195-L218 HydrophobicContact CD2-CB 4.2Å; L195-L218 HydrophobicContact CD2-CD2 4.12Å; L195-L218 HydrophobicContact CD2-CG 4.1Å; R214-L218 PolarHBondContact O-N 2.88Å; A215-L218 PolarHBondContact O-N 3.37Å; L218-T220 VanDerWaalsContact C-N 3.27Å; L218-T220 PolarHBondContact O-N 3.45Å; L218-D221 PolarHBondContact O-N 2.74Å; L218-L222 HydrophobicContact CD1-CD1 3.64Å; L218-L222 HydrophobicContact CG-CD1 4.14Å; L218-L222 HydrophobicContact CG-CD2 4.47Å; L218-L222 WeakPolarHBondContact O-CB 3.28Å; L218-L222 WeakPolarHBondContact O-CD1 3.36Å; L218-L222 PolarHBondContact O-N 3.37Å
219S94Very high93.1Very high12 Ų1262.9 Ų62.98%0.08430%0.301CS..Hα-helixtrans-65.3-28.1176.3117.90000113.6A215 K217 R224 C225A215-S219 PolarHBondContact O-N 3.01Å; K217-S219 VanDerWaalsContact C-N 3.29Å; K217-S219 PolarHBondContact O-N 3.39Å; S219-R224 CarbonylContact O-C 3.56Å; S219-R224 WeakPolarHBondContact O-CA 3.48Å; S219-R224 PolarHBondContact O-N 3.19Å; S219-C225 PolarHBondContact O-N 3.29Å; S219-C225 VanDerWaalsContact O-N 3.09Å; S219-C225 PolarHBondContact O-SG 3.2Å; S219-C225 PolarHBondContact OG-O 3.48Å; S219-C225 VanDerWaalsContact OG-O 3.04Å
220T92Very high93.2Very high75 Ų7559.7 Ų59.746%0.4628%0.281SS..Hα-helixtrans-72.6-43173.4-59.20000111R216 K217 L218 R224R216-T220 WeakPolarHBondContact O-CB 3.29Å; R216-T220 PolarHBondContact O-N 3.45Å; R216-T220 VanDerWaalsContact O-N 3.11Å; R216-T220 PolarHBondContact O-OG1 3.45Å; K217-T220 WeakPolarHBondContact O-CA 3.4Å; K217-T220 VanDerWaalsContact O-CB 3.31Å; K217-T220 WeakPolarHBondContact O-CB 3.33Å; K217-T220 PolarHBondContact O-N 2.84Å; L218-T220 VanDerWaalsContact C-N 3.27Å; L218-T220 PolarHBondContact O-N 3.45Å; T220-R224 HydrophobicContact CG2-CG 4.37Å; T220-R224 PolarHBondContact O-N 2.83Å; T220-R224 VanDerWaalsContact O-N 3.15Å
221D90.1Very high93.2Very high80 Ų8059.8 Ų59.843%0.42828%0.282SS..Hα-helixtrans-67.2-38.3179.1-61.5-25.8000111.1K217 L218 K223K217-D221 WeakPolarHBondContact CE-OD2 3.33Å; K217-D221 PolarHBondContact O-N 3.18Å; L218-D221 PolarHBondContact O-N 2.74Å; D221-K223 PolarHBondContact O-N 2.67Å
222L89.7Confident93.2Very high0 Ų056.6 Ų56.60%027%0.265CS..THydrogen-bonded Turntrans-73.957.5169.5-87.356.1000111.8F162 V175 Y176 F179 L195 L218 R224 C225F162-L222 HydrophobicContact CD2-CD2 4.16Å; F162-L222 HydrophobicContact CG-CD2 4.4Å; V175-L222 HydrophobicContact CG1-CD2 3.88Å; Y176-L222 HydrophobicContact CD2-CD1 4.14Å; F179-L222 HydrophobicContact CB-CD1 4.17Å; F179-L222 HydrophobicContact CB-CD2 4.3Å; F179-L222 HydrophobicContact CB-CG 4.07Å; F179-L222 HydrophobicContact CD1-CD1 3.66Å; F179-L222 HydrophobicContact CD1-CG 3.95Å; F179-L222 HydrophobicContact CD2-CD1 4.39Å; F179-L222 HydrophobicContact CD2-CD2 4.5Å; F179-L222 HydrophobicContact CD2-CG 3.75Å; F179-L222 HydrophobicContact CE1-CD1 4.1Å; F179-L222 HydrophobicContact CE1-CG 4.31Å; F179-L222 HydrophobicContact CE2-CB 4.45Å; F179-L222 HydrophobicContact CE2-CG 4.13Å; F179-L222 HydrophobicContact CG-CD1 3.82Å; F179-L222 HydrophobicContact CG-CD2 4.37Å; F179-L222 HydrophobicContact CG-CG 3.64Å; F179-L222 HydrophobicContact CZ-CG 4.39Å; L195-L222 HydrophobicContact CD1-CD2 4.33Å; L218-L222 HydrophobicContact CD1-CD1 3.64Å; L218-L222 HydrophobicContact CG-CD1 4.14Å; L218-L222 HydrophobicContact CG-CD2 4.47Å; L218-L222 WeakPolarHBondContact O-CB 3.28Å; L218-L222 WeakPolarHBondContact O-CD1 3.36Å; L218-L222 PolarHBondContact O-N 3.37Å; L222-R224 PolarHBondContact O-N 3.06Å; L222-C225 WeakPolarHBondContact O-CB 3.39Å; L222-C225 PolarHBondContact O-N 2.78Å
223K84.3Confident93.1Very high145 Ų14556.7 Ų56.763%0.6327%0.268SS*.THydrogen-bonded Turntrans54.423.9175.3-59.8-65.5-172.2-179.60115.4F179 A188 D221F179-K223 HydrophobicContact CE2-CG 4.42Å; F179-K223 HydrophobicContact CZ-CG 4.23Å; A188-K223 HydrophobicContact CB-CG 4.08Å; D221-K223 PolarHBondContact O-N 2.67Å
224R82.8Confident92.9Very high214 Ų21459.6 Ų59.681%0.80827%0.268SS*.THydrogen-bonded Turntrans6341.4-173.7-51.6177.3180172.20.4113.2S219 T220 L222S219-R224 CarbonylContact O-C 3.56Å; S219-R224 WeakPolarHBondContact O-CA 3.48Å; S219-R224 PolarHBondContact O-N 3.19Å; T220-R224 HydrophobicContact CG2-CG 4.37Å; T220-R224 PolarHBondContact O-N 2.83Å; T220-R224 VanDerWaalsContact O-N 3.15Å; L222-R224 PolarHBondContact O-N 3.06Å
225C90.8Very high92.8Very high13 Ų1357.5 Ų57.59%0.08827%0.269CS..  trans-58.8155.7169.464.90000111.7M193 S219 L222M193-C225 HydrophobicContact CB-CB 3.98Å; M193-C225 WeakPolarHBondContact O-CB 3.44Å; S219-C225 PolarHBondContact O-N 3.29Å; S219-C225 VanDerWaalsContact O-N 3.09Å; S219-C225 PolarHBondContact O-SG 3.2Å; S219-C225 PolarHBondContact OG-O 3.48Å; S219-C225 VanDerWaalsContact OG-O 3.04Å; L222-C225 WeakPolarHBondContact O-CB 3.39Å; L222-C225 PolarHBondContact O-N 2.78Å
226T94.1Very high92.7Very high46 Ų4660 Ų6028%0.28228%0.282SS..EExtended strand (participates in β ladder)trans-69.1139.9171.644.90000109.1L195 D244 K248L195-T226 PolarHBondContact N-O 3.42Å; T226-D244 PolarHBondContact OG1-OD2 2.94Å; T226-K248 PolarHBondContact OG1-NZ 2.81Å
227Y96.9Very high92.8Very high22 Ų2255.8 Ų55.89%0.08627%0.269CS..EExtended strand (participates in β ladder)trans-112.4126.4175.7173-123.6000110.2F164 L195 A215 R216 E229F164-Y227 AromaticContact CE1-CE2 3.94Å; F164-Y227 HydrophobicContact CE1-CE2 3.94Å; F164-Y227 AromaticContact CZ-CE2 3.88Å; F164-Y227 HydrophobicContact CZ-CE2 3.88Å; L195-Y227 HydrophobicContact CB-CD2 4.28Å; L195-Y227 HydrophobicContact CD2-CD2 4.01Å; L195-Y227 HydrophobicContact CG-CD2 3.96Å; L195-Y227 WeakPolarHBondContact O-CA 3.37Å; A215-Y227 HydrophobicContact CB-CD1 4.22Å; A215-Y227 HydrophobicContact CB-CD2 4.45Å; A215-Y227 HydrophobicContact CB-CE1 3.54Å; A215-Y227 HydrophobicContact CB-CE2 3.82Å; A215-Y227 WeakPolarHBondContact CB-OH 3.44Å; R216-Y227 HydrophobicContact CG-CD1 3.97Å; Y227-E229 HydrophobicContact CE1-CG 4.09Å; Y227-E229 VanDerWaalsContact OH-CG 3.29Å; Y227-E229 WeakPolarHBondContact OH-CG 3.39Å
228Y97.4Very high92.9Very high53 Ų5349.5 Ų49.521%0.20824%0.242CC..EExtended strand (participates in β ladder)trans-119.1144.4171.7-63.4-86.3000110.4V194 L195 V196 G197 N237 R240 V241 D244V194-Y228 HydrophobicContact CG1-CD2 3.68Å; V194-Y228 HydrophobicContact CG1-CE2 3.93Å; L195-Y228 PolarHBondContact O-N 3.19Å; V196-Y228 WeakPolarHBondContact CA-O 3.29Å; G197-Y228 PolarHBondContact N-O 3.46Å; Y228-N237 HydrophobicContact CD1-CB 4.41Å; Y228-R240 HydrophobicContact CE1-CB 4.39Å; Y228-V241 HydrophobicContact CD2-CG2 3.95Å; Y228-V241 HydrophobicContact CG-CG2 4.01Å; Y228-D244 HydrophobicContact CE2-CB 4.32Å; Y228-D244 WeakPolarHBondContact CE2-OD2 3.28Å; Y228-D244 PolarHBondContact OH-OD2 2.85Å
229E97.4Very high93Very high37 Ų3753.6 Ų53.617%0.17326%0.261CS..EExtended strand (participates in β ladder)trans-94.4133.2157.3-65.1-170.9-163.100108.5L166 G197 Q199 R208 Y227 N237L166-E229 HydrophobicContact CD1-CB 4.45Å; L166-E229 HydrophobicContact CD1-CG 4.01Å; G197-E229 CarbonylContact O-C 3.55Å; G197-E229 VanDerWaalsContact O-CA 3.25Å; G197-E229 WeakPolarHBondContact O-CA 3.2Å; Q199-E229 PolarHBondContact NE2-OE2 2.99Å; R208-E229 IonicContact CZ-OE1 2.89Å; R208-E229 VanDerWaalsContact CZ-OE1 3.23Å; R208-E229 IonicContact CZ-OE2 3.75Å; R208-E229 IonicContact NH1-OE1 2.78Å; R208-E229 PolarHBondContact NH1-OE1 3.28Å; R208-E229 IonicContact NH1-OE2 2.8Å; R208-E229 PolarHBondContact NH1-OE2 3.25Å; R208-E229 IonicContact NH2-OE1 3.97Å; R208-E229 PolarHBondContact NH2-OE1 2.89Å; R208-E229 IonicContact NH2-OE2 2.75Å; Y227-E229 HydrophobicContact CE1-CG 4.09Å; Y227-E229 VanDerWaalsContact OH-CG 3.29Å; Y227-E229 WeakPolarHBondContact OH-CG 3.39Å; E229-N237 WeakPolarHBondContact O-CB 3.3Å; E229-N237 PolarHBondContact O-ND2 3.46Å
230T97Very high93.1Very high0 Ų058.7 Ų58.70%028%0.278CS..EExtended strand (participates in β ladder)trans-125.3161.6-179.354.20000111.6L107 V196 G197 T198 Q199 L236 N237 V241L107-T230 HydrophobicContact CD1-CG2 4.18Å; V196-T230 HydrophobicContact CG1-CG2 3.71Å; V196-T230 WeakPolarHBondContact CG1-OG1 3.39Å; G197-T230 PolarHBondContact O-N 3.28Å; T198-T230 CarbonylContact C-O 3.51Å; T198-T230 WeakPolarHBondContact CA-O 3.36Å; Q199-T230 PolarHBondContact N-O 2.89Å; T230-L236 WeakPolarHBondContact CA-O 3.39Å; T230-L236 WeakPolarHBondContact CB-O 3.47Å; T230-N237 HydrophobicContact CG2-CB 3.98Å; T230-V241 HydrophobicContact CG2-CG2 3.78Å
231C95.7Very high93.3Very high3 Ų355.1 Ų55.12%0.0226%0.256CS..BIsolated β-bridgetrans-144.6115.8165.9-179.50000108Q199 D200 T233 Y234 G235 L236Q199-C231 HydrophobicContact CB-CB 4.18Å; D200-C231 VanDerWaalsContact OD1-C 3.28Å; D200-C231 VanDerWaalsContact OD1-CA 3.28Å; D200-C231 WeakPolarHBondContact OD1-CA 3.28Å; D200-C231 PolarHBondContact OD1-SG 2.85Å; C231-T233 VanDerWaalsContact C-N 3.29Å; C231-T233 VanDerWaalsContact SG-CB 3.57Å; C231-T233 PolarHBondContact SG-N 3.29Å; C231-Y234 HydrophobicContact CB-CD1 4.03Å; C231-Y234 HydrophobicContact CB-CE1 3.56Å; C231-Y234 HydrophobicContact CB-CE2 4.34Å; C231-Y234 WeakPolarHBondContact SG-CD1 3.39Å; C231-Y234 WeakPolarHBondContact SG-CE1 3.27Å; C231-G235 CarbonylContact O-C 3.58Å; C231-G235 VanDerWaalsContact O-CA 3.32Å; C231-G235 WeakPolarHBondContact O-CA 3.33Å; C231-G235 PolarHBondContact O-N 2.8Å; C231-L236 HydrophobicContact CB-CB 3.98Å; C231-L236 PolarHBondContact N-O 2.99Å; C231-L236 PolarHBondContact O-N 2.95Å
232A93.6Very high93.7Very high0 Ų051.4 Ų51.40%024%0.236CC..THydrogen-bonded Turntrans-62.8-33.6171.900000111.7A106 R110 Y116 D200 Y234A106-A232 HydrophobicContact CB-CB 4.08Å; A106-A232 WeakPolarHBondContact O-CB 3.26Å; R110-A232 HydrophobicContact CB-CB 3.94Å; R110-A232 WeakPolarHBondContact CD-O 3.32Å; R110-A232 HydrophobicContact CG-CB 4.38Å; R110-A232 VanDerWaalsContact CG-O 3.26Å; R110-A232 WeakPolarHBondContact CG-O 3.5Å; R110-A232 PolarHBondContact NH1-O 2.87Å; Y116-A232 HydrophobicContact CD2-CB 3.66Å; Y116-A232 HydrophobicContact CE2-CB 4.05Å; D200-A232 VanDerWaalsContact CG-N 3.32Å; D200-A232 WeakPolarHBondContact OD1-CA 3.49Å; D200-A232 PolarHBondContact OD1-N 3.17Å; D200-A232 PolarHBondContact OD2-N 3.37Å; A232-Y234 VanDerWaalsContact C-N 3.35Å; A232-Y234 PolarHBondContact O-N 2.81Å
233T91.6Very high94Very high64 Ų6453.9 Ų53.939%0.39325%0.248SC..THydrogen-bonded Turntrans-58.5-39.5-178.9-420000113.8R110 Y116 D200 C231R110-T233 VanDerWaalsContact NH1-C 3.25Å; R110-T233 PolarHBondContact NH1-O 3.16Å; Y116-T233 HydrophobicContact CD1-CG2 4.17Å; Y116-T233 HydrophobicContact CE1-CG2 4.41Å; Y116-T233 HydrophobicContact CG-CG2 4.49Å; D200-T233 PolarHBondContact OD1-N 3.3Å; D200-T233 VanDerWaalsContact OD1-N 3.08Å; D200-T233 PolarHBondContact OD1-OG1 2.84Å; C231-T233 VanDerWaalsContact C-N 3.29Å; C231-T233 VanDerWaalsContact SG-CB 3.57Å; C231-T233 PolarHBondContact SG-N 3.29Å
234Y90.6Very high94.6Very high144 Ų14448.1 Ų48.157%0.56522%0.224SC*.THydrogen-bonded Turntrans-127.216.6179.661.6-90.7000114.8Q199 C231 A232 L236Q199-Y234 PolarHBondContact OE1-OH 3.5Å; C231-Y234 HydrophobicContact CB-CD1 4.03Å; C231-Y234 HydrophobicContact CB-CE1 3.56Å; C231-Y234 HydrophobicContact CB-CE2 4.34Å; C231-Y234 WeakPolarHBondContact SG-CD1 3.39Å; C231-Y234 WeakPolarHBondContact SG-CE1 3.27Å; A232-Y234 VanDerWaalsContact C-N 3.35Å; A232-Y234 PolarHBondContact O-N 2.81Å; Y234-L236 HydrophobicContact CD2-CB 4.13Å; Y234-L236 HydrophobicContact CE2-CB 3.63Å; Y234-L236 HydrophobicContact CE2-CD2 4.21Å; Y234-L236 HydrophobicContact CE2-CG 4.4Å; Y234-L236 PolarHBondContact O-N 3.31Å
235G91.5Very high95.2Very high31 Ų3138 Ų3832%0.3219%0.186SC..THydrogen-bonded Turntrans73.420.5171.200000115.7C231 N237C231-G235 CarbonylContact O-C 3.58Å; C231-G235 VanDerWaalsContact O-CA 3.32Å; C231-G235 WeakPolarHBondContact O-CA 3.33Å; C231-G235 PolarHBondContact O-N 2.8Å; G235-N237 PolarHBondContact O-N 3.27Å
236L95Very high95.5Very high52 Ų5237.4 Ų37.427%0.27218%0.182SC..BIsolated β-bridgetrans-63.1121.7-179.7176.263.5000110.7T230 C231 Y234 V238T230-L236 WeakPolarHBondContact CA-O 3.39Å; T230-L236 WeakPolarHBondContact CB-O 3.47Å; C231-L236 HydrophobicContact CB-CB 3.98Å; C231-L236 PolarHBondContact N-O 2.99Å; C231-L236 PolarHBondContact O-N 2.95Å; Y234-L236 HydrophobicContact CD2-CB 4.13Å; Y234-L236 HydrophobicContact CE2-CB 3.63Å; Y234-L236 HydrophobicContact CE2-CD2 4.21Å; Y234-L236 HydrophobicContact CE2-CG 4.4Å; Y234-L236 PolarHBondContact O-N 3.31Å; L236-V238 PolarHBondContact O-N 2.83Å
237N95.9Very high95.5Very high32 Ų3239.6 Ų39.617%0.17119%0.189CC..SBendtrans56.6-3.3177-67.2-44.6000117.3Y228 E229 T230 G235 E239 R240 V241Y228-N237 HydrophobicContact CD1-CB 4.41Å; E229-N237 WeakPolarHBondContact O-CB 3.3Å; E229-N237 PolarHBondContact O-ND2 3.46Å; T230-N237 HydrophobicContact CG2-CB 3.98Å; G235-N237 PolarHBondContact O-N 3.27Å; N237-E239 PolarHBondContact O-N 3.43Å; N237-R240 WeakPolarHBondContact O-CA 3.34Å; N237-R240 VanDerWaalsContact O-CB 3.32Å; N237-R240 WeakPolarHBondContact O-CB 3.32Å; N237-R240 PolarHBondContact O-N 2.7Å; N237-R240 WeakPolarHBondContact OD1-CD 3.5Å; N237-R240 PolarHBondContact OD1-NH1 3.26Å; N237-V241 PolarHBondContact O-N 2.99Å; N237-V241 VanDerWaalsContact O-N 3.09Å
238V96.3Very high95.4Very high5 Ų541 Ų413%0.0320%0.195CC..Hα-helixtrans-49.2-61.1-175.5179.70000112L107 R110 Y111 L236 R240 V241 F242L107-V238 HydrophobicContact CD1-CB 4.31Å; L107-V238 HydrophobicContact CD1-CG1 4Å; L107-V238 HydrophobicContact CD1-CG2 3.9Å; R110-V238 HydrophobicContact CG-CG1 4.44Å; R110-V238 HydrophobicContact CG-CG2 4.24Å; Y111-V238 HydrophobicContact CD2-CG1 4.44Å; L236-V238 PolarHBondContact O-N 2.83Å; V238-R240 PolarHBondContact O-N 2.74Å; V238-R240 VanDerWaalsContact O-N 3.16Å; V238-V241 WeakPolarHBondContact O-CB 3.25Å; V238-V241 PolarHBondContact O-N 2.9Å; V238-V241 VanDerWaalsContact O-N 3.09Å; V238-F242 HydrophobicContact CG1-CE2 4.37Å; V238-F242 WeakPolarHBondContact O-CD2 3.26Å
239E95.6Very high95.3Very high98 Ų9838.5 Ų38.546%0.45819%0.186SC..Hα-helixtrans-57.4-29.9176.2-78.2-7115600113.5Y111 K129 N237 Q243Y111-E239 HydrophobicContact CD2-CG 4.45Å; Y111-E239 VanDerWaalsContact CD2-OE1 3.32Å; Y111-E239 WeakPolarHBondContact CD2-OE1 3.36Å; Y111-E239 VanDerWaalsContact CE2-CD 3.47Å; Y111-E239 VanDerWaalsContact CE2-OE1 3.28Å; Y111-E239 WeakPolarHBondContact CE2-OE1 3.46Å; Y111-E239 WeakPolarHBondContact CE2-OE2 3.27Å; K129-E239 IonicContact NZ-OE1 2.7Å; K129-E239 PolarHBondContact NZ-OE1 2.89Å; N237-E239 PolarHBondContact O-N 3.43Å; E239-Q243 VanDerWaalsContact O-CB 3.27Å; E239-Q243 WeakPolarHBondContact O-CB 3.39Å; E239-Q243 PolarHBondContact O-N 3.38Å
240R96.2Very high95.1Very high119 Ų11936.9 Ų36.945%0.44918%0.178SC..Hα-helixtrans-72-32.3178-61-175.3-176.8149-0.1112.8Y228 N237 V238 D244Y228-R240 HydrophobicContact CE1-CB 4.39Å; N237-R240 WeakPolarHBondContact O-CA 3.34Å; N237-R240 VanDerWaalsContact O-CB 3.32Å; N237-R240 WeakPolarHBondContact O-CB 3.32Å; N237-R240 PolarHBondContact O-N 2.7Å; N237-R240 WeakPolarHBondContact OD1-CD 3.5Å; N237-R240 PolarHBondContact OD1-NH1 3.26Å; V238-R240 PolarHBondContact O-N 2.74Å; V238-R240 VanDerWaalsContact O-N 3.16Å; R240-D244 VanDerWaalsContact O-CB 3.23Å; R240-D244 WeakPolarHBondContact O-CB 3.36Å; R240-D244 PolarHBondContact O-N 3.2Å
241V97.4Very high94.9Very high0 Ų039.6 Ų39.60%020%0.201CC..Hα-helixtrans-63.2-55.8176.4172.10000109.2V161 V194 V196 Y228 T230 N237 V238 Q243 D244 V245V161-V241 HydrophobicContact CG1-CG1 3.9Å; V161-V241 HydrophobicContact CG2-CG1 4.15Å; V194-V241 HydrophobicContact CG1-CG1 4.24Å; V196-V241 HydrophobicContact CG2-CG1 3.82Å; V196-V241 HydrophobicContact CG2-CG2 3.84Å; Y228-V241 HydrophobicContact CD2-CG2 3.95Å; Y228-V241 HydrophobicContact CG-CG2 4.01Å; T230-V241 HydrophobicContact CG2-CG2 3.78Å; N237-V241 PolarHBondContact O-N 2.99Å; N237-V241 VanDerWaalsContact O-N 3.09Å; V238-V241 WeakPolarHBondContact O-CB 3.25Å; V238-V241 PolarHBondContact O-N 2.9Å; V238-V241 VanDerWaalsContact O-N 3.09Å; V241-Q243 VanDerWaalsContact C-N 3.34Å; V241-Q243 PolarHBondContact O-N 3.27Å; V241-D244 PolarHBondContact O-N 3.14Å; V241-V245 WeakPolarHBondContact O-CG2 3.28Å; V241-V245 PolarHBondContact O-N 3.41Å
242F97.3Very high94.7Very high1 Ų141.5 Ų41.50%0.00421%0.211CC..Hα-helixtrans-64.2-36.9-178.8-68.2-85.2000112.4I96 L107 V108 Y111 L140 I142 V238 A246I96-F242 HydrophobicContact CD1-CE1 3.91Å; I96-F242 HydrophobicContact CD1-CZ 4.21Å; L107-F242 HydrophobicContact CG-CE2 4.42Å; V108-F242 HydrophobicContact CG2-CZ 4.31Å; Y111-F242 VanDerWaalsContact CB-CE2 3.47Å; Y111-F242 HydrophobicContact CD1-CB 4.5Å; Y111-F242 AromaticContact CD1-CD1 3.9Å; Y111-F242 HydrophobicContact CD1-CD1 3.9Å; Y111-F242 AromaticContact CD1-CD2 3.82Å; Y111-F242 HydrophobicContact CD1-CD2 3.82Å; Y111-F242 HydrophobicContact CD1-CE1 4.02Å; Y111-F242 AromaticContact CD1-CE2 3.96Å; Y111-F242 HydrophobicContact CD1-CE2 3.96Å; Y111-F242 AromaticContact CD1-CG 3.8Å; Y111-F242 HydrophobicContact CD1-CG 3.8Å; Y111-F242 HydrophobicContact CD1-CZ 4.05Å; Y111-F242 HydrophobicContact CD2-CB 3.98Å; Y111-F242 AromaticContact CD2-CD2 3.36Å; Y111-F242 HydrophobicContact CD2-CD2 3.36Å; Y111-F242 HydrophobicContact CD2-CE2 4.01Å; Y111-F242 AromaticContact CD2-CG 3.75Å; Y111-F242 HydrophobicContact CD2-CG 3.75Å; Y111-F242 HydrophobicContact CE1-CB 4.07Å; Y111-F242 AromaticContact CE1-CD1 3.87Å; Y111-F242 HydrophobicContact CE1-CD1 3.87Å; Y111-F242 HydrophobicContact CE1-CD2 4.25Å; Y111-F242 HydrophobicContact CE1-CE1 4.38Å; Y111-F242 AromaticContact CE1-CG 3.79Å; Y111-F242 HydrophobicContact CE1-CG 3.79Å; Y111-F242 HydrophobicContact CE2-CB 3.48Å; Y111-F242 VanDerWaalsContact CE2-CB 3.48Å; Y111-F242 AromaticContact CE2-CD2 3.83Å; Y111-F242 HydrophobicContact CE2-CD2 3.83Å; Y111-F242 AromaticContact CE2-CG 3.73Å; Y111-F242 HydrophobicContact CE2-CG 3.73Å; Y111-F242 HydrophobicContact CG-CB 4.46Å; Y111-F242 HydrophobicContact CG-CD1 4.29Å; Y111-F242 AromaticContact CG-CD2 3.35Å; Y111-F242 HydrophobicContact CG-CD2 3.35Å; Y111-F242 HydrophobicContact CG-CE1 4.43Å; Y111-F242 AromaticContact CG-CE2 3.53Å; Y111-F242 HydrophobicContact CG-CE2 3.53Å; Y111-F242 AromaticContact CG-CG 3.78Å; Y111-F242 HydrophobicContact CG-CG 3.78Å; Y111-F242 HydrophobicContact CG-CZ 4.08Å; Y111-F242 AromaticContact CZ-CG 3.76Å; L140-F242 HydrophobicContact CD2-CD1 4.38Å; I142-F242 HydrophobicContact CD1-CD1 4.19Å; I142-F242 HydrophobicContact CD1-CE1 3.79Å; I142-F242 HydrophobicContact CG1-CE1 4.44Å; V238-F242 HydrophobicContact CG1-CE2 4.37Å; V238-F242 WeakPolarHBondContact O-CD2 3.26Å; F242-A246 WeakPolarHBondContact O-CB 3.31Å; F242-A246 PolarHBondContact O-N 3.23Å
243Q96.5Very high94.5Very high52 Ų5244.9 Ų44.924%0.24322%0.223CC..Hα-helixtrans-67.7-41.6175.4-163.77127.600113.1V132 E239 V241 A246 Q247V132-Q243 PolarHBondContact O-NE2 3.28Å; E239-Q243 VanDerWaalsContact O-CB 3.27Å; E239-Q243 WeakPolarHBondContact O-CB 3.39Å; E239-Q243 PolarHBondContact O-N 3.38Å; V241-Q243 VanDerWaalsContact C-N 3.34Å; V241-Q243 PolarHBondContact O-N 3.27Å; Q243-A246 PolarHBondContact O-N 3.1Å; Q243-Q247 VanDerWaalsContact O-CB 3.28Å; Q243-Q247 WeakPolarHBondContact O-CB 3.38Å; Q243-Q247 VanDerWaalsContact O-CG 3.26Å; Q243-Q247 WeakPolarHBondContact O-CG 3.49Å; Q243-Q247 PolarHBondContact O-N 3.24Å
244D96.6Very high94.3Very high24 Ų2445.6 Ų45.613%0.12822%0.221CC..Hα-helixtrans-63.7-43.2175.5174.744.4000111.2V194 T226 Y228 R240 V241 K248V194-D244 WeakPolarHBondContact CG2-OD2 3.39Å; T226-D244 PolarHBondContact OG1-OD2 2.94Å; Y228-D244 HydrophobicContact CE2-CB 4.32Å; Y228-D244 WeakPolarHBondContact CE2-OD2 3.28Å; Y228-D244 PolarHBondContact OH-OD2 2.85Å; R240-D244 VanDerWaalsContact O-CB 3.23Å; R240-D244 WeakPolarHBondContact O-CB 3.36Å; R240-D244 PolarHBondContact O-N 3.2Å; V241-D244 PolarHBondContact O-N 3.14Å; D244-K248 VanDerWaalsContact CG-NZ 3.27Å; D244-K248 WeakPolarHBondContact O-CB 3.48Å; D244-K248 WeakPolarHBondContact O-CD 3.43Å; D244-K248 VanDerWaalsContact O-CG 3.26Å; D244-K248 WeakPolarHBondContact O-CG 3.29Å; D244-K248 PolarHBondContact O-N 3.38Å; D244-K248 WeakPolarHBondContact OD1-CE 3.35Å; D244-K248 IonicContact OD1-NZ 3.07Å; D244-K248 PolarHBondContact OD1-NZ 2.71Å; D244-K248 IonicContact OD2-NZ 2.81Å; D244-K248 PolarHBondContact OD2-NZ 3.05Å
245V96.1Very high94.1Very high2 Ų246 Ų461%0.01223%0.226CC..Hα-helixtrans-57.9-53173.81740000111.1V94 A159 V161 V194 V241 Q247 K248 V249V94-V245 HydrophobicContact CB-CG1 4.37Å; V94-V245 HydrophobicContact CG1-CG1 3.89Å; V94-V245 HydrophobicContact CG2-CG1 3.49Å; V94-V245 VanDerWaalsContact CG2-CG1 3.49Å; A159-V245 HydrophobicContact CB-CG1 3.59Å; V161-V245 HydrophobicContact CG2-CG2 3.62Å; V194-V245 HydrophobicContact CB-CG2 4.13Å; V194-V245 HydrophobicContact CG2-CG2 3.52Å; V241-V245 WeakPolarHBondContact O-CG2 3.28Å; V241-V245 PolarHBondContact O-N 3.41Å; V245-Q247 PolarHBondContact O-N 2.78Å; V245-K248 PolarHBondContact O-N 2.85Å; V245-V249 PolarHBondContact O-N 2.95Å
246A96.3Very high93.5Very high0 Ų049.2 Ų49.20%023%0.232CC..Hα-helixtrans-65-41.6-177.600000112.4L92 I131 V133 F242 Q243 K248 V249 V250L92-A246 HydrophobicContact CD1-CB 3.92Å; I131-A246 HydrophobicContact CD1-CB 3.65Å; V133-A246 HydrophobicContact CG2-CB 3.81Å; F242-A246 WeakPolarHBondContact O-CB 3.31Å; F242-A246 PolarHBondContact O-N 3.23Å; Q243-A246 PolarHBondContact O-N 3.1Å; A246-K248 VanDerWaalsContact C-N 3.31Å; A246-K248 PolarHBondContact O-N 2.9Å; A246-V249 PolarHBondContact O-N 3.14Å; A246-V250 WeakPolarHBondContact O-CG2 3.46Å; A246-V250 PolarHBondContact O-N 2.92Å
247Q95.6Very high92.5Very high92 Ų9253.3 Ų53.343%0.4325%0.25SC..Hα-helixtrans-58.7-41.3173-79176.6-14.600111.9V133 Q243 V245 A251V133-Q247 HydrophobicContact CG1-CG 3.98Å; Q243-Q247 VanDerWaalsContact O-CB 3.28Å; Q243-Q247 WeakPolarHBondContact O-CB 3.38Å; Q243-Q247 VanDerWaalsContact O-CG 3.26Å; Q243-Q247 WeakPolarHBondContact O-CG 3.49Å; Q243-Q247 PolarHBondContact O-N 3.24Å; V245-Q247 PolarHBondContact O-N 2.78Å; Q247-A251 WeakPolarHBondContact O-CB 3.12Å; Q247-A251 PolarHBondContact O-N 3.25Å
248K94.8Very high91Very high51 Ų5159.1 Ų59.122%0.22228%0.28CS..Hα-helixtrans-66.8-41.2176.6-75.4163.6173.6163.60113.3P192 T226 D244 V245 A246 A251 L252P192-K248 HydrophobicContact CB-CB 3.66Å; P192-K248 HydrophobicContact CB-CD 4.13Å; P192-K248 HydrophobicContact CB-CG 4.43Å; P192-K248 HydrophobicContact CG-CB 4Å; T226-K248 PolarHBondContact OG1-NZ 2.81Å; D244-K248 VanDerWaalsContact CG-NZ 3.27Å; D244-K248 WeakPolarHBondContact O-CB 3.48Å; D244-K248 WeakPolarHBondContact O-CD 3.43Å; D244-K248 VanDerWaalsContact O-CG 3.26Å; D244-K248 WeakPolarHBondContact O-CG 3.29Å; D244-K248 PolarHBondContact O-N 3.38Å; D244-K248 WeakPolarHBondContact OD1-CE 3.35Å; D244-K248 IonicContact OD1-NZ 3.07Å; D244-K248 PolarHBondContact OD1-NZ 2.71Å; D244-K248 IonicContact OD2-NZ 2.81Å; D244-K248 PolarHBondContact OD2-NZ 3.05Å; V245-K248 PolarHBondContact O-N 2.85Å; A246-K248 VanDerWaalsContact C-N 3.31Å; A246-K248 PolarHBondContact O-N 2.9Å; K248-A251 PolarHBondContact O-N 2.86Å; K248-L252 VanDerWaalsContact O-CB 3.29Å; K248-L252 WeakPolarHBondContact O-CB 3.11Å; K248-L252 PolarHBondContact O-N 3.44Å
249V94.4Very high89.3Confident2 Ų262.8 Ų62.81%0.01231%0.311CS..Hα-helixtrans-62.6-48.4175.5174.50000110.3L92 D158 A159 V245 A246 A251 L252 R253L92-V249 HydrophobicContact CD2-CB 4.11Å; L92-V249 HydrophobicContact CD2-CG1 3.5Å; L92-V249 VanDerWaalsContact CD2-CG1 3.5Å; D158-V249 HydrophobicContact CB-CB 4.3Å; D158-V249 HydrophobicContact CB-CG1 3.55Å; D158-V249 HydrophobicContact CB-CG2 3.67Å; A159-V249 HydrophobicContact CB-CG2 3.47Å; A159-V249 VanDerWaalsContact CB-CG2 3.47Å; V245-V249 PolarHBondContact O-N 2.95Å; A246-V249 PolarHBondContact O-N 3.14Å; V249-A251 VanDerWaalsContact C-N 3.34Å; V249-A251 PolarHBondContact O-N 3.44Å; V249-L252 PolarHBondContact O-N 2.85Å; V249-R253 HydrophobicContact CG1-CG 4.41Å; V249-R253 WeakPolarHBondContact O-CB 3.19Å; V249-R253 WeakPolarHBondContact O-CG 3.29Å; V249-R253 PolarHBondContact O-N 3.02Å
250V94Very high87.3Confident3 Ų364.4 Ų64.42%0.01832%0.321CS..Hα-helixtrans-62-41.7177.9172.10000111.1L92 V133 Y138 A246 K254L92-V250 HydrophobicContact CD1-CG2 4.29Å; L92-V250 HydrophobicContact CD2-CG2 3.98Å; V133-V250 HydrophobicContact CB-CG2 4.19Å; V133-V250 HydrophobicContact CG1-CB 4.01Å; V133-V250 HydrophobicContact CG1-CG1 4.11Å; V133-V250 HydrophobicContact CG1-CG2 3.93Å; V133-V250 HydrophobicContact CG2-CG2 4.44Å; Y138-V250 HydrophobicContact CE1-CG2 3.97Å; Y138-V250 HydrophobicContact CE2-CG2 4.12Å; A246-V250 WeakPolarHBondContact O-CG2 3.46Å; A246-V250 PolarHBondContact O-N 2.92Å; V250-K254 HydrophobicContact CG1-CD 3.99Å; V250-K254 HydrophobicContact CG1-CG 4.46Å; V250-K254 WeakPolarHBondContact O-CB 3.46Å; V250-K254 VanDerWaalsContact O-CG 3.24Å; V250-K254 WeakPolarHBondContact O-CG 3.27Å; V250-K254 PolarHBondContact O-N 2.77Å
251A92.6Very high84.4Confident57 Ų5760.7 Ų60.747%0.47132%0.321SS..Hα-helixtrans-65.7-39.3175.600000113Q247 K248 V249 K255Q247-A251 WeakPolarHBondContact O-CB 3.12Å; Q247-A251 PolarHBondContact O-N 3.25Å; K248-A251 PolarHBondContact O-N 2.86Å; V249-A251 VanDerWaalsContact C-N 3.34Å; V249-A251 PolarHBondContact O-N 3.44Å; A251-K255 WeakPolarHBondContact O-CB 3.41Å; A251-K255 PolarHBondContact O-N 3.22Å
252L90.8Very high81.5Confident43 Ų4367.1 Ų67.123%0.22536%0.362CS..Hα-helixtrans-66.2-45.7176.8-175.863.3000111.2E190 P192 K248 V249 K255 Q256E190-L252 WeakPolarHBondContact O-CD2 3.42Å; P192-L252 HydrophobicContact CG-CD2 3.93Å; K248-L252 VanDerWaalsContact O-CB 3.29Å; K248-L252 WeakPolarHBondContact O-CB 3.11Å; K248-L252 PolarHBondContact O-N 3.44Å; V249-L252 PolarHBondContact O-N 2.85Å; L252-K255 WeakPolarHBondContact O-CB 3.36Å; L252-K255 PolarHBondContact O-N 3.41Å; L252-Q256 WeakPolarHBondContact O-CG 3.36Å; L252-Q256 PolarHBondContact O-N 2.99Å
253R89.7Confident78.4Confident71 Ų7172.7 Ų72.727%0.26840%0.4SS..Hα-helixtrans-62.7-42.9175-70.7175.9175.2-171.30.3111.9E91 D158 V249 K255 Q256 Q257E91-R253 VanDerWaalsContact O-CZ 3.28Å; E91-R253 PolarHBondContact O-NH1 3.09Å; E91-R253 PolarHBondContact O-NH2 2.97Å; D158-R253 IonicContact OD1-CZ 3.26Å; D158-R253 VanDerWaalsContact OD1-CZ 3.31Å; D158-R253 IonicContact OD1-NE 3.64Å; D158-R253 PolarHBondContact OD1-NE 3.3Å; D158-R253 VanDerWaalsContact OD1-NE 3.09Å; D158-R253 IonicContact OD1-NH2 2.68Å; D158-R253 PolarHBondContact OD1-NH2 2.94Å; D158-R253 IonicContact OD2-CZ 2.6Å; D158-R253 IonicContact OD2-NH2 3.78Å; D158-R253 PolarHBondContact OD2-NH2 2.77Å; V249-R253 HydrophobicContact CG1-CG 4.41Å; V249-R253 WeakPolarHBondContact O-CB 3.19Å; V249-R253 WeakPolarHBondContact O-CG 3.29Å; V249-R253 PolarHBondContact O-N 3.02Å; R253-K255 VanDerWaalsContact C-N 3.33Å; R253-K255 PolarHBondContact O-N 3.2Å; R253-Q256 PolarHBondContact O-N 3.5Å; R253-Q257 WeakPolarHBondContact O-CG 3.32Å; R253-Q257 PolarHBondContact O-N 3.01Å
254K87.4Confident75.4Confident78 Ų7879.8 Ų79.834%0.33943%0.43SS..Hα-helixtrans-59.1-41.8172.3-76.8174.4179.8-177.20111.8D134 V250 Q257 L258D134-K254 IonicContact OD2-NZ 2.75Å; D134-K254 PolarHBondContact OD2-NZ 3.41Å; V250-K254 HydrophobicContact CG1-CD 3.99Å; V250-K254 HydrophobicContact CG1-CG 4.46Å; V250-K254 WeakPolarHBondContact O-CB 3.46Å; V250-K254 VanDerWaalsContact O-CG 3.24Å; V250-K254 WeakPolarHBondContact O-CG 3.27Å; V250-K254 PolarHBondContact O-N 2.77Å; K254-Q257 PolarHBondContact O-N 2.73Å; K254-L258 WeakPolarHBondContact O-CG 3.29Å; K254-L258 PolarHBondContact O-N 3.39Å
255K85.7Confident72.3Confident154 Ų15484 Ų8467%0.6746%0.461SS*.Hα-helixtrans-64.7-39.7175.2-174.9-175.4176.3-171.30112.4A251 L252 R253 L258 A259A251-K255 WeakPolarHBondContact O-CB 3.41Å; A251-K255 PolarHBondContact O-N 3.22Å; L252-K255 WeakPolarHBondContact O-CB 3.36Å; L252-K255 PolarHBondContact O-N 3.41Å; R253-K255 VanDerWaalsContact C-N 3.33Å; R253-K255 PolarHBondContact O-N 3.2Å; K255-L258 PolarHBondContact O-N 2.83Å; K255-A259 PolarHBondContact O-N 2.98Å
256Q80Confident69.2Low98 Ų9891.6 Ų91.646%0.45850%0.501SS..Hα-helixtrans-65.4-43.7175.3-72.5165.8-22.700111.6L252 R253 L258 A259 I260L252-Q256 WeakPolarHBondContact O-CG 3.36Å; L252-Q256 PolarHBondContact O-N 2.99Å; R253-Q256 PolarHBondContact O-N 3.5Å; Q256-L258 PolarHBondContact O-N 2.89Å; Q256-A259 WeakPolarHBondContact O-CB 3.42Å; Q256-A259 PolarHBondContact O-N 3.27Å; Q256-A259 VanDerWaalsContact O-N 3.15Å; Q256-I260 WeakPolarHBondContact O-CG1 3.36Å; Q256-I260 PolarHBondContact O-N 3.43Å
257Q74.1Confident66.3Low137 Ų13797.3 Ų97.364%0.6454%0.538SS*.Hα-helixtrans-60.4-42.2174.7-71.7172.5-0.800112.2R253 K254 A259 I260R253-Q257 WeakPolarHBondContact O-CG 3.32Å; R253-Q257 PolarHBondContact O-N 3.01Å; K254-Q257 PolarHBondContact O-N 2.73Å; Q257-A259 VanDerWaalsContact C-N 3.29Å; Q257-A259 PolarHBondContact O-N 2.92Å; Q257-I260 PolarHBondContact O-N 3.05Å
258L64.7Low63.4Low154 Ų154100 Ų10081%0.80656%0.555SS**Hα-helixtrans-70.5-21.4176.2-70.1169.6000113.9K254 K255 Q256K254-L258 WeakPolarHBondContact O-CG 3.29Å; K254-L258 PolarHBondContact O-N 3.39Å; K255-L258 PolarHBondContact O-N 2.83Å; Q256-L258 PolarHBondContact O-N 2.89Å
259A60Low60.1Low82 Ų82103 Ų10368%0.67858%0.583SS**Hα-helixtrans-78.8-23.417200000112.5K255 Q256 Q257 G261K255-A259 PolarHBondContact O-N 2.98Å; Q256-A259 WeakPolarHBondContact O-CB 3.42Å; Q256-A259 PolarHBondContact O-N 3.27Å; Q256-A259 VanDerWaalsContact O-N 3.15Å; Q257-A259 VanDerWaalsContact C-N 3.29Å; Q257-A259 PolarHBondContact O-N 2.92Å; A259-G261 PolarHBondContact O-N 3.1Å
260I53Low57.4Low132 Ų132109 Ų10968%0.67762%0.622SS**SBendtrans-88.882.6174.9-58.6167.9000108.4Q256 Q257Q256-I260 WeakPolarHBondContact O-CG1 3.36Å; Q256-I260 PolarHBondContact O-N 3.43Å; Q257-I260 PolarHBondContact O-N 3.05Å
261G36.2Very low54.6Low42 Ų42113.9 Ų113.943%0.43366%0.656SS.*  trans-54.8144.8170.800000111.5A259 C263A259-G261 PolarHBondContact O-N 3.1Å; G261-C263 PolarHBondContact O-N 2.9Å
262P35.1Very low51.6Low134 Ų134119.7 Ų119.787%0.8767%0.673SS**  trans-70.187.5-15826.7-36.4000114.7
263C32.7Very low48.9Very low118 Ų118123.2 Ų123.280%0.79770%0.701SS**  trans-100.890173.8-67.20000111.6G261G261-C263 PolarHBondContact O-N 2.9Å
264K33.4Very low46.4Very low202 Ų202124 Ų12488%0.87872%0.723SS**  trans1.9108.7157.2-54.8173.9-176.9179.50117.7
265S32.1Very low43.8Very low111 Ų111126.6 Ų126.678%0.77675%0.745SS**  175.3123.611957.60000112.4
266L30.6Very low41.3Very low163 Ų163124.6 Ų124.685%0.85375%0.75SS**  trans-86.4146.4159.3-74163.1000109.4
267P36.5Very low39.2Very low119 Ų119124.4 Ų124.477%0.77377%0.766SS**  trans-114.5140.6143.3-1.121.7000111.3
268N33Very low37.4Very low149 Ų149122.2 Ų122.280%0.79777%0.771SS**PPolyproline II helixtrans-71.8158.4-175-57.5-37.7000113.5
269S27.1Very low36Very low114 Ų114120.6 Ų120.680%0.79777%0.773SS**PPolyproline II helixtrans-60.6138.5163.3-49.90000111.9
270P36.8Very low34.9Very low129 Ų129124.5 Ų124.584%0.83878%0.781SS**PPolyproline II helixtrans-93.1128.2162.85.613.5000110.8
271S34.9Very low34.2Very low105 Ų105123.7 Ų123.773%0.73478%0.784SS**PPolyproline II helixtrans-90.8141.2171.6-57.60000110.9
272H29.7Very low34.2Very low178 Ų178125.8 Ų125.882%0.82480%0.797SS**  trans31.4118.1162.7-52.1-75.4000119.5
273S35Very low34.3Very low117 Ų117125.2 Ų125.282%0.81879%0.791SS**  165.8148107.1-73.90000114.4
274A36Very low34.5Very low87 Ų87127.3 Ų127.372%0.71979%0.789SS**  trans63.6113.615000000122.2
275V33.7Very low34.7Very low133 Ų133123.5 Ų123.581%0.80678%0.776SS**  74.1103.2125.7-177.90000120.1
276S33.3Very low34.8Very low112 Ų112123.9 Ų123.978%0.78377%0.77SS**  trans79.9129136.3-640000124.4
277A36Very low34.9Very low95 Ų95124.3 Ų124.379%0.78577%0.767SS**  trans8299.9135.300000122.1
278A35.7Very low34.8Very low91 Ų91122.2 Ų122.275%0.75276%0.76SS**  81.8146.612400000122.9
279S35.3Very low34.8Very low120 Ų120121 Ų12184%0.83976%0.758SS**  trans81.6122.8159.1-2.10000120.1
280I37.4Very low35.2Very low164 Ų164123.2 Ų123.284%0.84176%0.761SS**  trans-92.6-173.5-173.2-14.1176.2000110.6
281P37.7Very low35.1Very low115 Ų115120.9 Ų120.975%0.74776%0.76SS**  -126.7-167.2-114.144.8-27.7000115.6
282A36.1Very low35Very low86 Ų86120.2 Ų120.271%0.71177%0.77SS**  147.2168.2121.700000117.6
283V37.7Very low35.3Very low122 Ų122114.9 Ų114.974%0.73976%0.764SS**  trans83.2106.9153.5-152.10000121.8
284H36.5Very low35.3Very low162 Ų162115.5 Ų115.575%0.7577%0.768SS**  trans65.2166.9145.4-77.6-138000121.8
285I37.3Very low35.4Very low121 Ų121115.2 Ų115.262%0.62177%0.766SS**  cis-168.3150.4-37.6-161.4165.8000111.7
286N33.7Very low35.5Very low119 Ų119118 Ų11864%0.63677%0.767SS**  trans59.1130.4155.6-81.8-11.1000125
287Q33.7Very low35.7Very low172 Ų172116.7 Ų116.780%0.80476%0.758SS**  trans69.7150.8134.3-65.5175.817.800120.8
288A33.8Very low35.8Very low76 Ų76119 Ų11963%0.62876%0.757SS**  cis-169.5157.5-18.500000114.3
289T34.3Very low35.7Very low122 Ų122124.7 Ų124.775%0.74876%0.761SS**  trans71.1150.6149.947.50000124.4
290N34.5Very low35.7Very low162 Ų162123 Ų12387%0.86675%0.749SS**  trans77.8141.2164.6-51.8-35.5000118.4
291G34.8Very low35.6Very low79 Ų79119.9 Ų119.981%0.81474%0.742SS**  cis170.4150.5-11.200000114.5
292G33.6Very low35.4Very low91 Ų91119.7 Ų119.794%0.93874%0.743SS**  trans80161.8171.700000117.3
293G34.5Very low35.2Very low67 Ų67122 Ų12269%0.69175%0.748SS**  cis165.9134.4-13.700000114.8
294S35.6Very low35.2Very low130 Ų130121.4 Ų121.491%0.90975%0.747SS**  trans67.1164.7174.577.90000116.9
295A37.8Very low35Very low81 Ų81119 Ų11967%0.66975%0.748SS**  cis-151.9165.711.200000114.3
296F36.1Very low34.7Very low190 Ų190119.5 Ų119.583%0.83376%0.757SS**  trans-13.3145.5171.2-49.6-83.5000120.6
297S37.6Very low34.8Very low85 Ų85120 Ų12059%0.59477%0.767SS**  cis81.6149.325.4900000115.8
298D37.7Very low34.6Very low143 Ų143116.8 Ų116.877%0.76576%0.763SS**  cis-121-121.78.6-73.6-91.7000113.5
299Y34.7Very low34.4Very low211 Ų211120.5 Ų120.583%0.82777%0.771SS**  cis-167.3136.23-174.8-115.1000113.8
300S34.5Very low34.4Very low85 Ų85120 Ų12059%0.59477%0.772SS**  trans63.6155.5156.1-73.40000122.6
301S35.2Very low34.3Very low99 Ų99121.1 Ų121.169%0.69277%0.772SS**  cis-166.8152.6-12.850.10000115.1
302S34Very low34.4Very low110 Ų110128.9 Ų128.977%0.76978%0.777SS**  trans61.4125.7143.461.10000125
303V32.5Very low34.4Very low135 Ų135131 Ų13182%0.81876%0.763SS**  trans-63.6-170.7156.3-59.20000113.7
304P36.6Very low34.5Very low109 Ų109136.4 Ų136.471%0.70878%0.775SS**  cis-143.6-172.50.443.2-22.9000118.4
305S32.5Very low34.2Very low113 Ų113138 Ų13879%0.7976%0.761SS**  trans93.1135.8143.2-65.80000124.3
306T30.9Very low34.1Very low130 Ų130142.5 Ų142.580%0.79877%0.772SS**  trans-60.2162.2-179.1520000118.9
307P35.8Very low33.8Very low131 Ų131140 Ų14085%0.85176%0.762SS**  -136.5-155.5110.540.5-29.7000115.1
308S29.8Very low33.4Very low103 Ų103142 Ų14272%0.7277%0.772SS**  trans-149.1162.2-146.561.60000119.1
309I29.4Very low33.1Very low155 Ų155143 Ų14380%0.79578%0.775SS**  trans77.5124.2149.4-78.5169.9000121.3
310S35.1Very low32.8Very low110 Ų110137.7 Ų137.777%0.76978%0.775SS**  169.1114.1129.557.20000109.9
311Q31.3Very low32.8Very low187 Ų187138.7 Ų138.787%0.87479%0.789SS**  82.6105.566.9-96.8-163.7-10.800117.8
312R37.1Very low32.6Very low241 Ų241139.9 Ų139.991%0.90980%0.797SS**  trans174.5110.9146.6-100.9168.6176.4158.9-0.1106.9
313E33.6Very low32.8Very low137 Ų137139.9 Ų139.964%0.6480%0.797SS**  cis89.911244.6-168.5-178.2-144.900114R315E313-R315 IonicContact OE1-CZ 3.77Å; E313-R315 IonicContact OE1-NH1 3.47Å; E313-R315 PolarHBondContact OE1-NH1 2.97Å; E313-R315 IonicContact OE1-NH2 1.8Å; E313-R315 PolarHBondContact OE1-NH2 3.31Å
314L36.1Very low32.7Very low180 Ų180140 Ų14094%0.94280%0.798SS**  trans-155.5143.6153.7-103171000108.1
315R30.2Very low32.7Very low163 Ų163140.5 Ų140.562%0.61580%0.801SS**  trans-111.7148.1-170.7-71.8-179.6177.763.515.6113.5E313 E317E313-R315 IonicContact OE1-CZ 3.77Å; E313-R315 IonicContact OE1-NH1 3.47Å; E313-R315 PolarHBondContact OE1-NH1 2.97Å; E313-R315 IonicContact OE1-NH2 1.8Å; E313-R315 PolarHBondContact OE1-NH2 3.31Å; R315-E317 IonicContact NE-OE1 3.26Å
316I34.9Very low32.8Very low176 Ų176141.6 Ų141.690%0.90380%0.803SS**  trans-140.4139.5140.6-57-176.1000107.1
317E29.6Very low33Very low136 Ų136141.3 Ų141.364%0.63680%0.804SS**  trans-127.7169.4-170.5-66.6-177.1163.300114.5R315R315-E317 IonicContact NE-OE1 3.26Å
318T29.3Very low33Very low129 Ų129142.8 Ų142.879%0.79180%0.803SS**  trans67.9160.7164.567.20000117.6
319I32.5Very low33.1Very low162 Ų162147.9 Ų147.983%0.83181%0.806SS**  cis-123.8149.8-1.4-41.7160.8000109.2
320A28.5Very low33.4Very low100 Ų100150.8 Ų150.883%0.82681%0.813SS**  trans-111.7140.8165.200000111.1
321A33Very low33.3Very low107 Ų107153.4 Ų153.488%0.88481%0.813SS**  trans-129143.3178.700000111.1
322S32.4Very low33.6Very low123 Ų123150.2 Ų150.286%0.8681%0.812SS**  trans-132.9143.3-174.462.60000112
323S36.9Very low33.6Very low111 Ų111148.2 Ų148.278%0.77681%0.81SS**  trans-155.477.9178.844.80000113.1
324T31.9Very low33.7Very low138 Ų138153 Ų15385%0.84782%0.822SS**  trans39143.5139.539.90000123.5
325P37.1Very low33.8Very low118 Ų118155 Ų15577%0.76682%0.817SS**  trans-99.8170.3-175.341-37.7000115.5
326T34.1Very low34.2Very low136 Ų136151.5 Ų151.583%0.83482%0.817SS**  trans-143.8129.2163.545.20000113
327P33.8Very low34.1Very low124 Ų124149.8 Ų149.881%0.80581%0.81SS**  trans-114.2127.8174.336.2-26.4000113.8
328I35.8Very low34.6Very low163 Ų163151.1 Ų151.184%0.83682%0.82SS**  trans-128.987.7173.7-56.7-175.6000113
329R32.7Very low34.9Very low210 Ų210152.9 Ų152.979%0.79282%0.817SS**  24.9110.7129.4-169.9-172.8-163.7177.76.3118.5
330K35.6Very low35.1Very low215 Ų215151.8 Ų151.894%0.93582%0.818SS**  trans-144.5148139.2-114.5168.3-174.1175.70111.1
331Q32.9Very low35.4Very low165 Ų165152 Ų15277%0.77181%0.814SS**  trans-103.8149.7-157.2-58.9160.1-49.800113.3
332S38.2Very low35.8Very low121 Ų121158.6 Ų158.685%0.84682%0.815SS**  trans-153.2170.1135.2-158.90000111.7
333K36.4Very low35.9Very low199 Ų199162.8 Ų162.887%0.86582%0.818SS**  trans-93.7161.2-172.8-63.6155.7-176.3170.70109.1
334R35.1Very low36Very low237 Ų237160.9 Ų160.989%0.89482%0.816SS**  -174.8143.657-175175.6-171.4-115.29.4112.2
335R38.2Very low36.2Very low222 Ų222159.2 Ų159.284%0.83882%0.816SS**  trans-2154155.6-78.4179159.4-104.56.2120.7
336S38.9Very low36.3Very low90 Ų90161.1 Ų161.163%0.62982%0.82SS**  cis-174.1163-7.645.70000113.1
337N34.1Very low36.4Very low139 Ų139161.7 Ų161.774%0.74382%0.817SS**  trans-77.3168177.6-48.1-12.4000114.4
338I40.4Very low36.5Very low164 Ų164162.7 Ų162.784%0.84182%0.816SS**  trans166.3154.2136.8-89.6153.7000109.6
339F35.1Very low36.6Very low167 Ų167165.5 Ų165.573%0.73282%0.816SS**  cis163.6113.1-38-126.3-72.1000108
340T37.1Very low36.8Very low138 Ų138162.6 Ų162.685%0.84781%0.811SS**  trans170135161.728.90000109
341S33.6Very low36.9Very low106 Ų106160.7 Ų160.774%0.74180%0.803SS**  cis101143.5-4-1550000119.5
342R40.8Very low37Very low244 Ų244162.6 Ų162.692%0.92181%0.809SS**  trans86.6153.8-178.1-54.2177.3-174.5-1602.5117.7
343K35.9Very low36.8Very low212 Ų212161.7 Ų161.792%0.92281%0.809SS**  cis-176.4139.3-42.9178.3172.7179.2-176.60109.6
344G37.9Very low36.7Very low70 Ų70156.6 Ų156.672%0.72280%0.804SS**  trans114.2131.2172.900000111.9
345A36.7Very low36.5Very low104 Ų104154.9 Ų154.986%0.8681%0.805SS**  cis88.710323.500000115.5
346D38.4Very low36.1Very low158 Ų158150.2 Ų150.285%0.84581%0.805SS**  -161.6-168.1103.9-141.2-40.9000110.9
347L36.1Very low35.8Very low147 Ų147155.2 Ų155.277%0.7782%0.816SS**  trans-107.8155.2-156.8-71.1164.5000118.1
348D36.2Very low35.7Very low146 Ų146154.7 Ų154.778%0.78182%0.817SS**  trans84.3150.9138.6-104.6-43.5000125
349R38.3Very low35.2Very low221 Ų221153.8 Ų153.883%0.83482%0.815SS**  trans82.5127.7160.6-89.8-175.7170.1173.7-3.9123.8
350E36.3Very low35.1Very low149 Ų149150.5 Ų150.570%0.69681%0.812SS**  trans80.491.1146.8-62.2-161.2103.300123
351K38.3Very low34.9Very low176 Ų176152 Ų15277%0.76581%0.813SS**  74.7114.7107.9-164.3178.2-171.6176.10119.2
352K35.1Very low34.9Very low205 Ų205150.5 Ų150.589%0.89182%0.815SS**  trans67.280.9166.4-72.3-173168-172.60117.7
353A34.1Very low34.5Very low102 Ų102144.1 Ų144.184%0.84381%0.808SS**  trans-164.6153.3141.200000112.1
354A33.8Very low35.1Very low92 Ų92138.1 Ų138.176%0.7681%0.806SS**  trans40100.5156.700000119.7C356A354-C356 VanDerWaalsContact C-N 3.31Å; A354-C356 PolarHBondContact O-N 3.17Å
355E31.3Very low36.4Very low200 Ų200139.9 Ų139.994%0.93579%0.79SS**  trans-75.782.4156.1-69.6-167.3130.400111.1
356C30.5Very low38Very low124 Ų124137.8 Ų137.884%0.83877%0.774SS**  trans-120.479.4157.2-77.30000108.2A354A354-C356 VanDerWaalsContact C-N 3.31Å; A354-C356 PolarHBondContact O-N 3.17Å
357K32Very low40Very low195 Ų195137.2 Ų137.285%0.84877%0.769SS**PPolyproline II helixtrans-96.6126.2-177-154.8169.2-173.4176.80110.8D359K357-D359 PolarHBondContact O-N 3.13Å
358V32.8Very low42.5Very low128 Ų128131 Ų13178%0.77674%0.737SS**PPolyproline II helixtrans-59.3117.6-173.9177.80000111.9
359D29.7Very low45.1Very low146 Ų146128.4 Ų128.478%0.78172%0.722SS**PPolyproline II helixtrans-95.5127.2171.8-90.1-44.8000112.8K357 I361K357-D359 PolarHBondContact O-N 3.13Å; D359-I361 PolarHBondContact O-N 3.11Å
360S33.3Very low47.7Very low97 Ų97119.8 Ų119.868%0.67869%0.691SS**  trans29.575.3150.5-59.40000118.7G362S360-G362 PolarHBondContact O-N 3.45Å
361I33.1Very low50.5Low169 Ų169117.4 Ų117.487%0.86768%0.68SS**THydrogen-bonded Turntrans-65.3105.9160.6-61.4175.1000109.1D359D359-I361 PolarHBondContact O-N 3.11Å
362G32.2Very low53.1Low76 Ų76109.8 Ų109.878%0.78465%0.651SS**THydrogen-bonded Turntrans117.80.7159.500000118.4S360S360-G362 PolarHBondContact O-N 3.45Å
363S32.8Very low56Low110 Ų110104.1 Ų104.177%0.76963%0.63SS**  trans-127.7142.9176.5-73.60000112.7
364G49.3Very low58.9Low85 Ų8599.3 Ų99.388%0.87659%0.59SS**  trans111.93.2166.600000117.9
365R64.8Low61.8Low107 Ų10797.6 Ų97.640%0.40457%0.567SS.*PPolyproline II helixtrans-93.9136.2175.4-71.9-177.6175.3-128.2-0.7112.5Y408 M409R365-Y408 PolarHBondContact NH1-O 3.18Å; R365-Y408 PolarHBondContact NH2-O 2.95Å; R365-M409 VanDerWaalsContact NH2-C 3.32Å; R365-M409 PolarHBondContact NH2-O 2.94Å
366A69.9Low64.8Low61 Ų6189.1 Ų89.150%0.50453%0.528SS..PPolyproline II helixtrans-59.1140.6164.700000110.2P368A366-P368 WeakPolarHBondContact O-CD 3.02Å
367I81.6Confident67.7Low146 Ų14685.8 Ų85.875%0.74950%0.497SS*.PPolyproline II helixtrans-82.2120-178.3-59.4175.5000108.1I369I367-I369 PolarHBondContact O-N 2.91Å
368P87.3Confident69.9Low15 Ų1578.3 Ų78.310%0.09747%0.47CS..PPolyproline II helixtrans-63.1134.7177.2-21.833.8000111.8A366 K370 Q371 T392 L393A366-P368 WeakPolarHBondContact O-CD 3.02Å; P368-K370 PolarHBondContact O-N 2.89Å; P368-Q371 HydrophobicContact CB-CB 4.21Å; P368-T392 HydrophobicContact CB-CG2 4.11Å; P368-T392 HydrophobicContact CG-CG2 3.74Å; P368-L393 CarbonylContact C-O 3.6Å; P368-L393 VanDerWaalsContact CA-O 3.25Å; P368-L393 WeakPolarHBondContact CA-O 3.34Å; P368-L393 WeakPolarHBondContact CB-O 3.28Å
369I90Very high71.5Confident92 Ų9276 Ų7647%0.47247%0.471SS..SBendtrans-56.9-39.5171.3-68.2174.5000110.5I367 L393 D395I367-I369 PolarHBondContact O-N 2.91Å; I369-L393 HydrophobicContact CB-CD2 4.48Å; I369-L393 HydrophobicContact CB-CG 4.4Å; I369-L393 HydrophobicContact CG2-CD2 4.3Å; I369-L393 PolarHBondContact N-O 3.18Å; I369-D395 HydrophobicContact CD1-CB 3.97Å; I369-D395 HydrophobicContact CG1-CB 4.32Å
370K93.8Very high72.9Confident40 Ų4079.1 Ų79.117%0.17448%0.478CS..EExtended strand (participates in β ladder)trans-144.1141.6172.8-169.8170.3174.971.70110.3P368 T392 L393 W596 S599P368-K370 PolarHBondContact O-N 2.89Å; K370-T392 WeakPolarHBondContact O-CA 3.47Å; K370-L393 HydrophobicContact CB-CB 4.23Å; K370-L393 HydrophobicContact CB-CD2 4.32Å; K370-L393 PolarHBondContact O-N 3.02Å; K370-W596 HydrophobicContact CB-CH2 4.4Å; K370-W596 HydrophobicContact CB-CZ3 4.17Å; K370-W596 HydrophobicContact CD-CD2 3.71Å; K370-W596 HydrophobicContact CD-CE3 3.75Å; K370-W596 HydrophobicContact CD-CG 4.15Å; K370-W596 HydrophobicContact CD-CH2 4.47Å; K370-W596 HydrophobicContact CD-CZ2 4.44Å; K370-W596 HydrophobicContact CD-CZ3 4.14Å; K370-W596 VanDerWaalsContact CE-CE2 3.48Å; K370-W596 HydrophobicContact CG-CD2 4.24Å; K370-W596 HydrophobicContact CG-CE3 4.1Å; K370-W596 HydrophobicContact CG-CH2 3.96Å; K370-W596 HydrophobicContact CG-CZ2 4.09Å; K370-W596 HydrophobicContact CG-CZ3 3.96Å; K370-S599 WeakPolarHBondContact CD-OG 3.27Å
371Q94.9Very high73.6Confident99 Ų9976.9 Ų76.946%0.46346%0.462SS..EExtended strand (participates in β ladder)trans-143.9149.217861-171.3-12.800110.9P368 Y390 V391 T392P368-Q371 HydrophobicContact CB-CB 4.21Å; Q371-Y390 PolarHBondContact OE1-OH 3.38Å; Q371-Y390 VanDerWaalsContact OE1-OH 3.04Å; Q371-V391 VanDerWaalsContact CA-O 3.3Å; Q371-V391 WeakPolarHBondContact CA-O 3.21Å; Q371-T392 HydrophobicContact CB-CG2 3.74Å
372G93.9Very high74.5Confident16 Ų1677.4 Ų77.417%0.16547%0.466CS..EExtended strand (participates in β ladder)trans173.5-175.2-178.100000114.1V391G372-V391 PolarHBondContact N-O 2.82Å; G372-V391 PolarHBondContact O-N 3.04Å
373I95.4Very high75.6Confident87 Ų8779.7 Ų79.745%0.44646%0.46SS..EExtended strand (participates in β ladder)trans-102.8119.7175.3-63.8-72.1000108.6K388 K389 Y390I373-K388 HydrophobicContact CG2-CB 4.17Å; I373-K388 HydrophobicContact CG2-CD 4.34Å; I373-K388 HydrophobicContact CG2-CG 4.25Å; I373-K389 WeakPolarHBondContact CA-O 3.3Å; I373-Y390 HydrophobicContact CD1-CD2 3.83Å; I373-Y390 HydrophobicContact CG1-CD2 4.49Å
374L95.8Very high77.3Confident1 Ų181.9 Ų81.91%0.00546%0.456CS..EExtended strand (participates in β ladder)trans-114.3148.1170.7-67.5175.1000110.1K388 K389 V391 F573 F585 A587 W596L374-K388 WeakPolarHBondContact O-CA 3.48Å; L374-K389 PolarHBondContact N-O 3.43Å; L374-K389 PolarHBondContact O-N 2.9Å; L374-V391 HydrophobicContact CB-CG2 3.92Å; L374-V391 HydrophobicContact CD1-CB 4.17Å; L374-V391 HydrophobicContact CD1-CG1 4.22Å; L374-V391 HydrophobicContact CD1-CG2 4.04Å; L374-V391 HydrophobicContact CG-CG2 4.23Å; L374-F573 HydrophobicContact CD1-CE1 3.97Å; L374-F573 HydrophobicContact CD1-CZ 3.66Å; L374-F573 HydrophobicContact CD2-CE1 4.3Å; L374-F585 HydrophobicContact CB-CD1 4.08Å; L374-F585 HydrophobicContact CD1-CB 4.18Å; L374-F585 HydrophobicContact CD1-CD1 3.97Å; L374-F585 HydrophobicContact CD1-CG 4.24Å; L374-A587 HydrophobicContact CD2-CB 3.72Å; L374-W596 HydrophobicContact CD1-CD2 3.93Å; L374-W596 HydrophobicContact CD1-CE3 4.33Å; L374-W596 HydrophobicContact CD1-CG 4.27Å; L374-W596 HydrophobicContact CD1-CZ2 4.2Å; L374-W596 HydrophobicContact CD2-CG 4.35Å; L374-W596 HydrophobicContact CG-CZ2 4.32Å
375L94.3Very high78.9Confident55 Ų5582.3 Ų82.329%0.28844%0.435SS..EExtended strand (participates in β ladder)trans-74.8128.8160.8-73.7172.4000107.5W386 K388 F585 E586L375-W386 HydrophobicContact CB-CB 4.44Å; L375-W386 HydrophobicContact CB-CE3 3.99Å; L375-W386 HydrophobicContact CD2-CB 4.4Å; L375-K388 HydrophobicContact CD2-CG 3.6Å; L375-F585 CarbonylContact O-C 3.58Å; L375-F585 VanDerWaalsContact O-CA 3.28Å; L375-F585 WeakPolarHBondContact O-CA 3.45Å; L375-E586 HydrophobicContact CB-CB 4.01Å; L375-E586 HydrophobicContact CB-CG 4.41Å; L375-E586 HydrophobicContact CD1-CG 4.39Å; L375-E586 VanDerWaalsContact CD1-OE2 3.28Å; L375-E586 WeakPolarHBondContact CD1-OE2 3.46Å; L375-E586 PolarHBondContact N-O 2.66Å; L375-E586 PolarHBondContact O-N 2.71Å
376K93.5Very high80.1Confident23 Ų2380.6 Ų80.610%0.143%0.429CS..EExtended strand (participates in β ladder)trans-119.5128174.9-165.6-158.8176.5-49.70110.1W386 K387 K389 Y401 H584 F585K376-W386 VanDerWaalsContact C-CE3 3.49Å; K376-K387 PolarHBondContact N-O 3.13Å; K376-K387 PolarHBondContact O-N 3.13Å; K376-K389 HydrophobicContact CB-CG 3.77Å; K376-Y401 HydrophobicContact CD-CD2 3.73Å; K376-Y401 HydrophobicContact CD-CE2 3.48Å; K376-Y401 VanDerWaalsContact CD-CE2 3.48Å; K376-Y401 HydrophobicContact CD-CG 4.38Å; K376-H584 VanDerWaalsContact CG-O 3.25Å; K376-H584 WeakPolarHBondContact CG-O 3.29Å; K376-F585 HydrophobicContact CB-CD1 3.94Å; K376-F585 HydrophobicContact CB-CE1 4.02Å; K376-F585 HydrophobicContact CD-CE1 3.89Å; K376-F585 HydrophobicContact CD-CZ 4.2Å; K376-F585 HydrophobicContact CG-CD1 3.77Å; K376-F585 HydrophobicContact CG-CE1 3.62Å; K376-F585 HydrophobicContact CG-CG 4.47Å; K376-F585 HydrophobicContact CG-CZ 4.23Å
377R90.7Very high81.1Confident53 Ų5381.9 Ų81.920%0.242%0.423CS..EExtended strand (participates in β ladder)trans-71.7137.3175.6-145.4163.768.1-152.31.6110.6K384 W386 E572 H584R377-K384 HydrophobicContact CG-CB 4.28Å; R377-K384 VanDerWaalsContact CG-O 3.25Å; R377-K384 WeakPolarHBondContact CG-O 3.15Å; R377-W386 HydrophobicContact CB-CD2 3.94Å; R377-W386 HydrophobicContact CB-CE3 3.72Å; R377-W386 HydrophobicContact CB-CH2 3.98Å; R377-W386 HydrophobicContact CB-CZ2 4.2Å; R377-W386 HydrophobicContact CB-CZ3 3.75Å; R377-W386 HydrophobicContact CG-CD2 3.98Å; R377-W386 HydrophobicContact CG-CE3 4.29Å; R377-W386 HydrophobicContact CG-CG 4.42Å; R377-W386 HydrophobicContact CG-CZ2 4.27Å; R377-E572 IonicContact NH1-OE1 2.77Å; R377-E572 PolarHBondContact NH1-OE1 3.31Å; R377-E572 IonicContact NH1-OE2 3.31Å; R377-H584 HydrophobicContact CB-CB 3.81Å; R377-H584 PolarHBondContact N-O 3Å; R377-H584 VanDerWaalsContact N-O 3.13Å; R377-H584 PolarHBondContact NH1-ND1 3.14Å; R377-H584 PolarHBondContact NH2-CD2 2.79Å; R377-H584 VanDerWaalsContact NH2-CD2 3.33Å; R377-H584 PolarHBondContact NH2-CE1 2.83Å; R377-H584 PolarHBondContact NH2-ND1 3.17Å; R377-H584 PolarHBondContact NH2-NE2 2.85Å
378S78.9Confident81.8Confident39 Ų3982 Ų8227%0.27342%0.418SS..  trans-67.7134.5170.6-179.80000110.7K380 S381 E385S378-K380 PolarHBondContact OG-N 2.84Å; S378-S381 WeakPolarHBondContact CB-OG 3.27Å; S378-S381 PolarHBondContact OG-OG 2.83Å; S378-E385 PolarHBondContact N-O 2.76Å
379G66.6Low82.2Confident78 Ų7883.2 Ų83.280%0.80442%0.422SS*.SBendtrans-105.18.1174.100000114
380K58.6Low82.5Confident213 Ų21380.2 Ų80.293%0.92641%0.405SS*.SBendtrans-132.411.5-175.9-71-160.1174.2-164.70114.4S378S378-K380 PolarHBondContact OG-N 2.84Å
381S49.2Very low82.6Confident49 Ų4978.3 Ų78.334%0.34340%0.396SS..SBendtrans-124.2140.118051.70000111S378 N383S378-S381 WeakPolarHBondContact CB-OG 3.27Å; S378-S381 PolarHBondContact OG-OG 2.83Å; S381-N383 CarbonylContact C-O 3.49Å; S381-N383 WeakPolarHBondContact CB-O 3.38Å; S381-N383 CarbonylContact O-C 3.59Å; S381-N383 PolarHBondContact O-N 2.84Å; S381-N383 PolarHBondContact OG-O 2.84Å
382L51.4Low82.6Confident181 Ų18173.6 Ų73.695%0.94837%0.374SS*.SBendtrans-53.6-41.4178.7-156.578.1000111.3
383N54.3Low82.7Confident123 Ų12372.8 Ų72.866%0.65837%0.366SS*.SBendtrans-80.2120.9165.3-63.8-9.6000109.1S381 E385S381-N383 CarbonylContact C-O 3.49Å; S381-N383 WeakPolarHBondContact CB-O 3.38Å; S381-N383 CarbonylContact O-C 3.59Å; S381-N383 PolarHBondContact O-N 2.84Å; S381-N383 PolarHBondContact OG-O 2.84Å; N383-E385 PolarHBondContact O-N 2.83Å
384K69.8Low82.5Confident156 Ų15669.5 Ų69.568%0.67835%0.351SS*.  trans-74.951.8177.8-65.6177.8-179.1172.20112.2R377R377-K384 HydrophobicContact CG-CB 4.28Å; R377-K384 VanDerWaalsContact CG-O 3.25Å; R377-K384 WeakPolarHBondContact CG-O 3.15Å
385E83Confident82.1Confident95 Ų9574.2 Ų74.244%0.44438%0.376SS..  trans-66.7134.7-172.4-161.7-169.7152.100112.1S378 N383 K387S378-E385 PolarHBondContact N-O 2.76Å; N383-E385 PolarHBondContact O-N 2.83Å; E385-K387 VanDerWaalsContact CD-CE 3.41Å; E385-K387 HydrophobicContact CG-CG 4.44Å; E385-K387 WeakPolarHBondContact OE1-CE 3.47Å; E385-K387 IonicContact OE1-NZ 3.95Å; E385-K387 PolarHBondContact OE1-NZ 3.05Å; E385-K387 WeakPolarHBondContact OE2-CE 3.44Å; E385-K387 IonicContact OE2-NZ 2.62Å; E385-K387 PolarHBondContact OE2-NZ 2.77Å
386W89.3Confident81.7Confident71 Ų7176.7 Ų76.727%0.26939%0.39SS..EExtended strand (participates in β ladder)trans-84.2128.9169.8-68.3104.8000110.1L375 K376 R377 E572 H584 E586L375-W386 HydrophobicContact CB-CB 4.44Å; L375-W386 HydrophobicContact CB-CE3 3.99Å; L375-W386 HydrophobicContact CD2-CB 4.4Å; K376-W386 VanDerWaalsContact C-CE3 3.49Å; R377-W386 HydrophobicContact CB-CD2 3.94Å; R377-W386 HydrophobicContact CB-CE3 3.72Å; R377-W386 HydrophobicContact CB-CH2 3.98Å; R377-W386 HydrophobicContact CB-CZ2 4.2Å; R377-W386 HydrophobicContact CB-CZ3 3.75Å; R377-W386 HydrophobicContact CG-CD2 3.98Å; R377-W386 HydrophobicContact CG-CE3 4.29Å; R377-W386 HydrophobicContact CG-CG 4.42Å; R377-W386 HydrophobicContact CG-CZ2 4.27Å; W386-E572 HydrophobicContact CH2-CG 3.73Å; W386-E572 VanDerWaalsContact CZ2-CD 3.49Å; W386-E572 HydrophobicContact CZ2-CG 3.86Å; W386-E572 WeakPolarHBondContact CZ2-OE1 3.43Å; W386-H584 HydrophobicContact CH2-CB 3.94Å; W386-H584 HydrophobicContact CZ3-CB 4.25Å; W386-E586 HydrophobicContact CE3-CB 4.12Å; W386-E586 HydrophobicContact CH2-CB 3.87Å; W386-E586 HydrophobicContact CZ2-CB 4.48Å; W386-E586 HydrophobicContact CZ3-CB 3.66Å
387K91.6Very high81.4Confident88 Ų8875.6 Ų75.638%0.38339%0.385SS..EExtended strand (participates in β ladder)trans-128.2136.1176.2-57.6-170.9-168.1-98.30110.1K376 E385 K389K376-K387 PolarHBondContact N-O 3.13Å; K376-K387 PolarHBondContact O-N 3.13Å; E385-K387 VanDerWaalsContact CD-CE 3.41Å; E385-K387 HydrophobicContact CG-CG 4.44Å; E385-K387 WeakPolarHBondContact OE1-CE 3.47Å; E385-K387 IonicContact OE1-NZ 3.95Å; E385-K387 PolarHBondContact OE1-NZ 3.05Å; E385-K387 WeakPolarHBondContact OE2-CE 3.44Å; E385-K387 IonicContact OE2-NZ 2.62Å; E385-K387 PolarHBondContact OE2-NZ 2.77Å; K387-K389 PolarHBondContact O-N 2.65Å
388K94.8Very high81.5Confident147 Ų14774.9 Ų74.964%0.63939%0.385SS*.EExtended strand (participates in β ladder)trans-57138.8173.5-67-177.8179-178.70110I373 L374 L375I373-K388 HydrophobicContact CG2-CB 4.17Å; I373-K388 HydrophobicContact CG2-CD 4.34Å; I373-K388 HydrophobicContact CG2-CG 4.25Å; L374-K388 WeakPolarHBondContact O-CA 3.48Å; L375-K388 HydrophobicContact CD2-CG 3.6Å
389K95.6Very high82.3Confident42 Ų4273.1 Ų73.118%0.18337%0.372CS..EExtended strand (participates in β ladder)trans-137.1143.3174-62.5-64150.3-128.80109.1I373 L374 K376 K387 V391 Y401 H402I373-K389 WeakPolarHBondContact CA-O 3.3Å; L374-K389 PolarHBondContact N-O 3.43Å; L374-K389 PolarHBondContact O-N 2.9Å; K376-K389 HydrophobicContact CB-CG 3.77Å; K387-K389 PolarHBondContact O-N 2.65Å; K389-V391 HydrophobicContact CB-CG2 4.1Å; K389-Y401 HydrophobicContact CD-CD2 4.35Å; K389-Y401 HydrophobicContact CG-CD2 4.23Å; K389-H402 VanDerWaalsContact CA-O 3.32Å; K389-H402 WeakPolarHBondContact CA-O 3.38Å; K389-H402 WeakPolarHBondContact CB-O 3.24Å; K389-H402 VanDerWaalsContact CD-O 3.28Å; K389-H402 WeakPolarHBondContact CD-O 3.41Å
390Y96.4Very high83.6Confident28 Ų2869.8 Ų69.811%0.1134%0.337CS..EExtended strand (participates in β ladder)trans-81.5123.4163.7-167.8-103.7000107.6Q371 I373 T392 Y401 H402 L405 Y408Q371-Y390 PolarHBondContact OE1-OH 3.38Å; Q371-Y390 VanDerWaalsContact OE1-OH 3.04Å; I373-Y390 HydrophobicContact CD1-CD2 3.83Å; I373-Y390 HydrophobicContact CG1-CD2 4.49Å; Y390-T392 HydrophobicContact CD1-CG2 4.09Å; Y390-T392 HydrophobicContact CE1-CG2 3.54Å; Y390-Y401 CarbonylContact O-C 3.55Å; Y390-Y401 VanDerWaalsContact O-CA 3.3Å; Y390-Y401 WeakPolarHBondContact O-CA 3.42Å; Y390-H402 PolarHBondContact N-O 3.11Å; Y390-H402 PolarHBondContact O-N 3.01Å; Y390-L405 HydrophobicContact CD1-CD1 4.2Å; Y390-L405 HydrophobicContact CD2-CB 4.13Å; Y390-L405 HydrophobicContact CD2-CD1 4.22Å; Y390-L405 HydrophobicContact CE1-CD1 3.79Å; Y390-L405 HydrophobicContact CE2-CB 4.48Å; Y390-L405 HydrophobicContact CE2-CD1 3.83Å; Y390-L405 HydrophobicContact CG-CB 4.3Å; Y390-L405 HydrophobicContact CG-CD1 4.39Å; Y390-Y408 HydrophobicContact CD1-CD1 4.02Å; Y390-Y408 HydrophobicContact CD1-CD2 4.22Å; Y390-Y408 AromaticContact CD1-CG 3.7Å; Y390-Y408 HydrophobicContact CD1-CG 3.7Å; Y390-Y408 AromaticContact CE1-CD1 3.62Å; Y390-Y408 HydrophobicContact CE1-CD1 3.62Å; Y390-Y408 HydrophobicContact CE1-CD2 4.28Å; Y390-Y408 HydrophobicContact CE1-CE1 4.04Å; Y390-Y408 AromaticContact CE1-CG 3.76Å; Y390-Y408 HydrophobicContact CE1-CG 3.76Å
391V96.4Very high85.3Confident0 Ų061 Ų610%030%0.298CS..EExtended strand (participates in β ladder)trans-120.1136.5-173.9-174.90000108.9Q371 G372 L374 K389 L399 T400 F585 W596Q371-V391 VanDerWaalsContact CA-O 3.3Å; Q371-V391 WeakPolarHBondContact CA-O 3.21Å; G372-V391 PolarHBondContact N-O 2.82Å; G372-V391 PolarHBondContact O-N 3.04Å; L374-V391 HydrophobicContact CB-CG2 3.92Å; L374-V391 HydrophobicContact CD1-CB 4.17Å; L374-V391 HydrophobicContact CD1-CG1 4.22Å; L374-V391 HydrophobicContact CD1-CG2 4.04Å; L374-V391 HydrophobicContact CG-CG2 4.23Å; K389-V391 HydrophobicContact CB-CG2 4.1Å; V391-L399 HydrophobicContact CG1-CD1 3.63Å; V391-L399 HydrophobicContact CG1-CG 4.24Å; V391-T400 WeakPolarHBondContact CA-O 3.37Å; V391-T400 WeakPolarHBondContact CG1-O 3.49Å; V391-F585 HydrophobicContact CG2-CD1 4.43Å; V391-F585 HydrophobicContact CG2-CE1 3.99Å; V391-W596 HydrophobicContact CB-CH2 4.04Å; V391-W596 HydrophobicContact CB-CZ2 4.48Å; V391-W596 HydrophobicContact CG1-CH2 3.97Å; V391-W596 HydrophobicContact CG1-CZ3 4.08Å; V391-W596 WeakPolarHBondContact O-CH2 3.33Å
392T95.6Very high87.4Confident0 Ų059 Ų590%028%0.283CS..EExtended strand (participates in β ladder)trans-134.9125.6-178.6400000110.6P368 K370 Q371 Y390 T400 Y408P368-T392 HydrophobicContact CB-CG2 4.11Å; P368-T392 HydrophobicContact CG-CG2 3.74Å; K370-T392 WeakPolarHBondContact O-CA 3.47Å; Q371-T392 HydrophobicContact CB-CG2 3.74Å; Y390-T392 HydrophobicContact CD1-CG2 4.09Å; Y390-T392 HydrophobicContact CE1-CG2 3.54Å; T392-T400 PolarHBondContact N-O 2.89Å; T392-T400 PolarHBondContact O-N 2.73Å; T392-T400 PolarHBondContact OG1-OG1 3.35Å; T392-Y408 HydrophobicContact CG2-CD2 4.21Å; T392-Y408 HydrophobicContact CG2-CE2 3.73Å
393L95.2Very high89.4Confident0 Ų053 Ų530%026%0.255CS..EExtended strand (participates in β ladder)trans-98119.7174.5175.563.5000109P368 I369 K370 L399 L419 W596 S599 V600 Q603P368-L393 CarbonylContact C-O 3.6Å; P368-L393 VanDerWaalsContact CA-O 3.25Å; P368-L393 WeakPolarHBondContact CA-O 3.34Å; P368-L393 WeakPolarHBondContact CB-O 3.28Å; I369-L393 HydrophobicContact CB-CD2 4.48Å; I369-L393 HydrophobicContact CB-CG 4.4Å; I369-L393 HydrophobicContact CG2-CD2 4.3Å; I369-L393 PolarHBondContact N-O 3.18Å; K370-L393 HydrophobicContact CB-CB 4.23Å; K370-L393 HydrophobicContact CB-CD2 4.32Å; K370-L393 PolarHBondContact O-N 3.02Å; L393-L399 HydrophobicContact CB-CD1 4.01Å; L393-L399 HydrophobicContact CD1-CB 4.36Å; L393-L399 HydrophobicContact CD1-CD1 4.21Å; L393-L419 HydrophobicContact CD1-CD1 3.39Å; L393-W596 HydrophobicContact CB-CZ3 4.31Å; L393-S599 WeakPolarHBondContact CD2-O 3.18Å; L393-V600 HydrophobicContact CD2-CG2 4.44Å; L393-Q603 HydrophobicContact CD1-CB 3.89Å; L393-Q603 HydrophobicContact CD1-CG 3.89Å; L393-Q603 HydrophobicContact CD2-CB 4.27Å; L393-Q603 HydrophobicContact CG-CB 4.39Å
394C91Very high91.2Very high18 Ų1849.2 Ų49.212%0.12224%0.238CC..  trans-104.3154-177.1-59.10000112.1N396 G397 L398C394-N396 VanDerWaalsContact C-N 3.27Å; C394-N396 WeakPolarHBondContact CB-OD1 3.32Å; C394-N396 PolarHBondContact O-N 3.14Å; C394-G397 PolarHBondContact O-N 3.02Å; C394-L398 PolarHBondContact N-O 3.12Å
395D88.3Confident92.2Very high99 Ų9945.7 Ų45.753%0.52923%0.226SC..THydrogen-bonded Turntrans-65.8-25.4178.760-20.7000114I369 G397 Q603I369-D395 HydrophobicContact CD1-CB 3.97Å; I369-D395 HydrophobicContact CG1-CB 4.32Å; D395-G397 PolarHBondContact O-N 2.76Å; D395-Q603 PolarHBondContact O-NE2 3.48Å
396N85.7Confident92.5Very high107 Ų10746.7 Ų46.757%0.57223%0.231SC*.THydrogen-bonded Turntrans-72.82.7172.371.4-4.7000115C394 L398C394-N396 VanDerWaalsContact C-N 3.27Å; C394-N396 WeakPolarHBondContact CB-OD1 3.32Å; C394-N396 PolarHBondContact O-N 3.14Å; N396-L398 WeakPolarHBondContact OD1-CB 3.28Å; N396-L398 WeakPolarHBondContact OD1-CG 3.44Å; N396-L398 PolarHBondContact OD1-N 3.14Å; N396-L398 VanDerWaalsContact OD1-N 3.1Å
397G88.2Confident92.6Very high1 Ų144.4 Ų44.41%0.0122%0.224CC..SBendtrans88.69.7179.900000115.5C394 D395 L419 S607C394-G397 PolarHBondContact O-N 3.02Å; D395-G397 PolarHBondContact O-N 2.76Å; G397-L419 WeakPolarHBondContact O-CB 3.31Å; G397-L419 WeakPolarHBondContact O-CG 3.25Å; G397-L419 PolarHBondContact O-N 2.8Å; G397-S607 WeakPolarHBondContact CA-OG 3.5Å
398L92.2Very high92.5Very high38 Ų3841.6 Ų41.620%0.19921%0.211CC..EExtended strand (participates in β ladder)trans-96.4131175.5-58.6-178.5000112.3C394 N396 T400C394-L398 PolarHBondContact N-O 3.12Å; N396-L398 WeakPolarHBondContact OD1-CB 3.28Å; N396-L398 WeakPolarHBondContact OD1-CG 3.44Å; N396-L398 PolarHBondContact OD1-N 3.14Å; N396-L398 VanDerWaalsContact OD1-N 3.1Å; L398-T400 HydrophobicContact CB-CG2 3.98Å
399L94.8Very high92.2Very high1 Ų140.5 Ų40.51%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-103.1103.3163.6178.970.6000108.7V391 L393 I417 L419 V575 F585 W596 V600V391-L399 HydrophobicContact CG1-CD1 3.63Å; V391-L399 HydrophobicContact CG1-CG 4.24Å; L393-L399 HydrophobicContact CB-CD1 4.01Å; L393-L399 HydrophobicContact CD1-CB 4.36Å; L393-L399 HydrophobicContact CD1-CD1 4.21Å; L399-I417 HydrophobicContact CB-CB 4.31Å; L399-I417 HydrophobicContact CD2-CD1 4.28Å; L399-I417 PolarHBondContact N-O 2.86Å; L399-I417 WeakPolarHBondContact O-CB 3.45Å; L399-I417 PolarHBondContact O-N 3.38Å; L399-L419 HydrophobicContact CB-CD1 4.13Å; L399-L419 HydrophobicContact CB-CD2 3.84Å; L399-L419 HydrophobicContact CB-CG 4.02Å; L399-L419 HydrophobicContact CD2-CD2 4.37Å; L399-V575 HydrophobicContact CD2-CG2 4.01Å; L399-F585 HydrophobicContact CD2-CE2 4.31Å; L399-W596 HydrophobicContact CD1-CZ3 4.12Å; L399-V600 HydrophobicContact CD1-CG2 4.38Å; L399-V600 HydrophobicContact CD2-CG2 4.16Å
400T93.9Very high91.8Very high9 Ų943.3 Ų43.36%0.05522%0.223CC..EExtended strand (participates in β ladder)trans-103.5150.7-175.772.90000111.8V391 T392 L398 K415 E416V391-T400 WeakPolarHBondContact CA-O 3.37Å; V391-T400 WeakPolarHBondContact CG1-O 3.49Å; T392-T400 PolarHBondContact N-O 2.89Å; T392-T400 PolarHBondContact O-N 2.73Å; T392-T400 PolarHBondContact OG1-OG1 3.35Å; L398-T400 HydrophobicContact CB-CG2 3.98Å; T400-K415 CarbonylContact C-O 3.58Å; T400-K415 VanDerWaalsContact CA-O 3.26Å; T400-K415 WeakPolarHBondContact CA-O 3.43Å; T400-E416 HydrophobicContact CG2-CB 4.03Å; T400-E416 HydrophobicContact CG2-CG 3.71Å
401Y95Very high91.1Very high28 Ų2847.8 Ų47.811%0.1125%0.249CC..EExtended strand (participates in β ladder)trans-142.1133.2178.864.5-82.6000113K376 K389 Y390 K415 I417 F585K376-Y401 HydrophobicContact CD-CD2 3.73Å; K376-Y401 HydrophobicContact CD-CE2 3.48Å; K376-Y401 VanDerWaalsContact CD-CE2 3.48Å; K376-Y401 HydrophobicContact CD-CG 4.38Å; K389-Y401 HydrophobicContact CD-CD2 4.35Å; K389-Y401 HydrophobicContact CG-CD2 4.23Å; Y390-Y401 CarbonylContact O-C 3.55Å; Y390-Y401 VanDerWaalsContact O-CA 3.3Å; Y390-Y401 WeakPolarHBondContact O-CA 3.42Å; Y401-K415 HydrophobicContact CD1-CB 4.13Å; Y401-K415 VanDerWaalsContact CD1-O 3.25Å; Y401-K415 WeakPolarHBondContact CD1-O 3.46Å; Y401-K415 HydrophobicContact CD2-CB 4.28Å; Y401-K415 HydrophobicContact CE1-CB 3.62Å; Y401-K415 HydrophobicContact CE2-CB 3.81Å; Y401-K415 HydrophobicContact CE2-CD 3.94Å; Y401-K415 HydrophobicContact CE2-CG 4.38Å; Y401-K415 HydrophobicContact CG-CB 4.43Å; Y401-K415 VanDerWaalsContact CZ-CB 3.44Å; Y401-K415 PolarHBondContact N-O 2.86Å; Y401-K415 PolarHBondContact O-N 2.86Å; Y401-I417 HydrophobicContact CD1-CD1 4.11Å; Y401-I417 HydrophobicContact CD1-CG1 4.37Å; Y401-I417 HydrophobicContact CE1-CD1 3.89Å; Y401-I417 HydrophobicContact CE1-CG1 3.97Å; Y401-F585 HydrophobicContact CD1-CZ 4.25Å
402H94.1Very high90.5Very high8 Ų850.9 Ų50.94%0.03727%0.265CS..EExtended strand (participates in β ladder)trans-119.7157.5-176.5-65.3-109.2000111.1K389 Y390 S404 D407 Y408 I412 G414K389-H402 VanDerWaalsContact CA-O 3.32Å; K389-H402 WeakPolarHBondContact CA-O 3.38Å; K389-H402 WeakPolarHBondContact CB-O 3.24Å; K389-H402 VanDerWaalsContact CD-O 3.28Å; K389-H402 WeakPolarHBondContact CD-O 3.41Å; Y390-H402 PolarHBondContact N-O 3.11Å; Y390-H402 PolarHBondContact O-N 3.01Å; H402-S404 VanDerWaalsContact C-N 3.32Å; H402-S404 PolarHBondContact O-N 3.23Å; H402-D407 HydrophobicContact CB-CB 4.03Å; H402-Y408 AromaticContact CD2-CD2 3.74Å; H402-Y408 WeakPolarHBondContact ND1-CA 3.49Å; H402-Y408 AromaticContact NE2-CD2 3.66Å; H402-I412 PolarHBondContact ND1-O 3.27Å; H402-G414 WeakPolarHBondContact CE1-CA 3.4Å; H402-G414 VanDerWaalsContact ND1-CA 3.3Å; H402-G414 WeakPolarHBondContact ND1-CA 3.3Å; H402-G414 PolarHBondContact ND1-N 3.44Å
403P92.9Very high90Very high55 Ų5557 Ų5736%0.35729%0.293SS..SBendtrans-59.4-38.8177.7-19.929.9000113.9D407 H413P403-D407 WeakPolarHBondContact CB-OD2 3.35Å; P403-D407 HydrophobicContact CG-CB 4.45Å; P403-H413 HydrophobicContact CG-CB 3.59Å
404S91.8Very high89.5Confident42 Ų4258.7 Ų58.729%0.29431%0.311SS..SBendtrans-143.4173.6175.474.50000112H402 H406 D407 Y408H402-S404 VanDerWaalsContact C-N 3.32Å; H402-S404 PolarHBondContact O-N 3.23Å; S404-H406 PolarHBondContact O-N 2.9Å; S404-H406 WeakPolarHBondContact OG-CB 3.31Å; S404-H406 PolarHBondContact OG-N 3.49Å; S404-H406 VanDerWaalsContact OG-N 3.13Å; S404-D407 VanDerWaalsContact CB-OD2 3.27Å; S404-D407 WeakPolarHBondContact CB-OD2 3.42Å; S404-D407 PolarHBondContact N-OD2 3.5Å; S404-D407 PolarHBondContact O-N 2.9Å; S404-D407 PolarHBondContact OG-N 2.87Å; S404-D407 VanDerWaalsContact OG-N 3.14Å; S404-D407 PolarHBondContact OG-OD2 2.9Å; S404-Y408 PolarHBondContact O-N 3.02Å; S404-Y408 VanDerWaalsContact O-N 3.15Å
405L90.4Very high89.6Confident82 Ų8263.7 Ų63.743%0.42933%0.331SS..Hα-helixtrans-62.1-31.3168.2173.262000111.9Y390 Y408 M409Y390-L405 HydrophobicContact CD1-CD1 4.2Å; Y390-L405 HydrophobicContact CD2-CB 4.13Å; Y390-L405 HydrophobicContact CD2-CD1 4.22Å; Y390-L405 HydrophobicContact CE1-CD1 3.79Å; Y390-L405 HydrophobicContact CE2-CB 4.48Å; Y390-L405 HydrophobicContact CE2-CD1 3.83Å; Y390-L405 HydrophobicContact CG-CB 4.3Å; Y390-L405 HydrophobicContact CG-CD1 4.39Å; L405-Y408 HydrophobicContact CD1-CD1 4.14Å; L405-Y408 WeakPolarHBondContact O-CB 3.19Å; L405-Y408 PolarHBondContact O-N 3.25Å; L405-M409 HydrophobicContact CD1-CG 4.15Å; L405-M409 HydrophobicContact CD1-SD 4.26Å; L405-M409 HydrophobicContact CG-CG 4.42Å; L405-M409 HydrophobicContact CG-SD 4.06Å; L405-M409 VanDerWaalsContact O-CG 3.29Å; L405-M409 WeakPolarHBondContact O-CG 3.35Å; L405-M409 PolarHBondContact O-N 3.47Å
406H90.3Very high89.8Confident117 Ų11765.2 Ų65.254%0.54234%0.335SS..Hα-helixtrans-69.1-44.1179.1-165.964.6000111.2S404 Y408 M409 Q410S404-H406 PolarHBondContact O-N 2.9Å; S404-H406 WeakPolarHBondContact OG-CB 3.31Å; S404-H406 PolarHBondContact OG-N 3.49Å; S404-H406 VanDerWaalsContact OG-N 3.13Å; H406-Y408 VanDerWaalsContact C-N 3.31Å; H406-Y408 PolarHBondContact O-N 3.11Å; H406-M409 PolarHBondContact O-N 2.79Å; H406-Q410 PolarHBondContact CD2-OE1 2.88Å; H406-Q410 PolarHBondContact CE1-NE2 3.48Å; H406-Q410 PolarHBondContact NE2-NE2 3.3Å; H406-Q410 WeakPolarHBondContact O-CB 3.12Å; H406-Q410 PolarHBondContact O-N 3.46Å
407D90.6Very high90.1Very high23 Ų2360.3 Ų60.312%0.12331%0.308CS..Hα-helixtrans-58.1-43.4172.1-63.2-86.8000111.5H402 P403 S404 Q410 N411 I412 H413H402-D407 HydrophobicContact CB-CB 4.03Å; P403-D407 WeakPolarHBondContact CB-OD2 3.35Å; P403-D407 HydrophobicContact CG-CB 4.45Å; S404-D407 VanDerWaalsContact CB-OD2 3.27Å; S404-D407 WeakPolarHBondContact CB-OD2 3.42Å; S404-D407 PolarHBondContact N-OD2 3.5Å; S404-D407 PolarHBondContact O-N 2.9Å; S404-D407 PolarHBondContact OG-N 2.87Å; S404-D407 VanDerWaalsContact OG-N 3.14Å; S404-D407 PolarHBondContact OG-OD2 2.9Å; D407-Q410 PolarHBondContact O-N 2.87Å; D407-N411 PolarHBondContact O-N 2.98Å; D407-I412 CarbonylContact C-O 3.45Å; D407-I412 HydrophobicContact CB-CG1 4.06Å; D407-I412 PolarHBondContact O-N 3.36Å; D407-H413 IonicContact OD1-CE1 2.83Å; D407-H413 IonicContact OD1-CG 2.81Å; D407-H413 IonicContact OD1-ND1 3.48Å; D407-H413 PolarHBondContact OD1-ND1 2.98Å
408Y89.7Confident90.2Very high29 Ų2963.7 Ų63.711%0.11433%0.326CS..Hα-helixtrans-57.7-54.3173171.8-100.7000110.9R365 Y390 T392 H402 S404 L405 H406 Q410 N411R365-Y408 PolarHBondContact NH1-O 3.18Å; R365-Y408 PolarHBondContact NH2-O 2.95Å; Y390-Y408 HydrophobicContact CD1-CD1 4.02Å; Y390-Y408 HydrophobicContact CD1-CD2 4.22Å; Y390-Y408 AromaticContact CD1-CG 3.7Å; Y390-Y408 HydrophobicContact CD1-CG 3.7Å; Y390-Y408 AromaticContact CE1-CD1 3.62Å; Y390-Y408 HydrophobicContact CE1-CD1 3.62Å; Y390-Y408 HydrophobicContact CE1-CD2 4.28Å; Y390-Y408 HydrophobicContact CE1-CE1 4.04Å; Y390-Y408 AromaticContact CE1-CG 3.76Å; Y390-Y408 HydrophobicContact CE1-CG 3.76Å; T392-Y408 HydrophobicContact CG2-CD2 4.21Å; T392-Y408 HydrophobicContact CG2-CE2 3.73Å; H402-Y408 AromaticContact CD2-CD2 3.74Å; H402-Y408 WeakPolarHBondContact ND1-CA 3.49Å; H402-Y408 AromaticContact NE2-CD2 3.66Å; S404-Y408 PolarHBondContact O-N 3.02Å; S404-Y408 VanDerWaalsContact O-N 3.15Å; L405-Y408 HydrophobicContact CD1-CD1 4.14Å; L405-Y408 WeakPolarHBondContact O-CB 3.19Å; L405-Y408 PolarHBondContact O-N 3.25Å; H406-Y408 VanDerWaalsContact C-N 3.31Å; H406-Y408 PolarHBondContact O-N 3.11Å; Y408-Q410 VanDerWaalsContact C-N 3.28Å; Y408-Q410 PolarHBondContact O-N 2.74Å; Y408-N411 PolarHBondContact O-N 3.08Å
409M88.5Confident90.2Very high124 Ų12461.9 Ų61.961%0.61132%0.317SS*.Hα-helixtrans-59.9-33.7-178.7-71.8175.671.700113.5R365 L405 H406 N411R365-M409 VanDerWaalsContact NH2-C 3.32Å; R365-M409 PolarHBondContact NH2-O 2.94Å; L405-M409 HydrophobicContact CD1-CG 4.15Å; L405-M409 HydrophobicContact CD1-SD 4.26Å; L405-M409 HydrophobicContact CG-CG 4.42Å; L405-M409 HydrophobicContact CG-SD 4.06Å; L405-M409 VanDerWaalsContact O-CG 3.29Å; L405-M409 WeakPolarHBondContact O-CG 3.35Å; L405-M409 PolarHBondContact O-N 3.47Å; H406-M409 PolarHBondContact O-N 2.79Å; M409-N411 VanDerWaalsContact C-N 3.34Å
410Q86.9Confident89.7Confident101 Ų10164.5 Ų64.547%0.47233%0.33SS..Hα-helixtrans-84-5.5175.4-74173.4-24.400114H406 D407 Y408 I412H406-Q410 PolarHBondContact CD2-OE1 2.88Å; H406-Q410 PolarHBondContact CE1-NE2 3.48Å; H406-Q410 PolarHBondContact NE2-NE2 3.3Å; H406-Q410 WeakPolarHBondContact O-CB 3.12Å; H406-Q410 PolarHBondContact O-N 3.46Å; D407-Q410 PolarHBondContact O-N 2.87Å; Y408-Q410 VanDerWaalsContact C-N 3.28Å; Y408-Q410 PolarHBondContact O-N 2.74Å; Q410-I412 HydrophobicContact CB-CD1 4.11Å; Q410-I412 HydrophobicContact CB-CG1 3.94Å; Q410-I412 HydrophobicContact CB-CG2 4.36Å; Q410-I412 PolarHBondContact O-N 3.17Å
411N82.7Confident89.4Confident121 Ų12170.3 Ų70.365%0.64735%0.351SS*.THydrogen-bonded Turntrans61.627-175.2-145.337.2000114.6D407 Y408 M409D407-N411 PolarHBondContact O-N 2.98Å; Y408-N411 PolarHBondContact O-N 3.08Å; M409-N411 VanDerWaalsContact C-N 3.34Å
412I82.4Confident89.1Confident66 Ų6669.7 Ų69.734%0.33835%0.35SS..  trans-105.2158.7179.762.9177.8000111.2H402 D407 Q410 G414H402-I412 PolarHBondContact ND1-O 3.27Å; D407-I412 CarbonylContact C-O 3.45Å; D407-I412 HydrophobicContact CB-CG1 4.06Å; D407-I412 PolarHBondContact O-N 3.36Å; Q410-I412 HydrophobicContact CB-CD1 4.11Å; Q410-I412 HydrophobicContact CB-CG1 3.94Å; Q410-I412 HydrophobicContact CB-CG2 4.36Å; Q410-I412 PolarHBondContact O-N 3.17Å; I412-G414 PolarHBondContact O-N 3.32Å
413H84.5Confident89Confident127 Ų12773.4 Ų73.459%0.58837%0.374SS*.SBendtrans53.813.2175-52126.2000116.6P403 D407P403-H413 HydrophobicContact CG-CB 3.59Å; D407-H413 IonicContact OD1-CE1 2.83Å; D407-H413 IonicContact OD1-CG 2.81Å; D407-H413 IonicContact OD1-ND1 3.48Å; D407-H413 PolarHBondContact OD1-ND1 2.98Å
414G86.2Confident89Confident36 Ų3671.3 Ų71.337%0.37136%0.36SS..  trans-64148.4176.400000112H402 I412H402-G414 WeakPolarHBondContact CE1-CA 3.4Å; H402-G414 VanDerWaalsContact ND1-CA 3.3Å; H402-G414 WeakPolarHBondContact ND1-CA 3.3Å; H402-G414 PolarHBondContact ND1-N 3.44Å; I412-G414 PolarHBondContact O-N 3.32Å
415K92Very high89Confident124 Ų12475.8 Ų75.854%0.53937%0.374SS..EExtended strand (participates in β ladder)trans-135.3133.5171.2-68.4-174.9180-179.40109T400 Y401T400-K415 CarbonylContact C-O 3.58Å; T400-K415 VanDerWaalsContact CA-O 3.26Å; T400-K415 WeakPolarHBondContact CA-O 3.43Å; Y401-K415 HydrophobicContact CD1-CB 4.13Å; Y401-K415 VanDerWaalsContact CD1-O 3.25Å; Y401-K415 WeakPolarHBondContact CD1-O 3.46Å; Y401-K415 HydrophobicContact CD2-CB 4.28Å; Y401-K415 HydrophobicContact CE1-CB 3.62Å; Y401-K415 HydrophobicContact CE2-CB 3.81Å; Y401-K415 HydrophobicContact CE2-CD 3.94Å; Y401-K415 HydrophobicContact CE2-CG 4.38Å; Y401-K415 HydrophobicContact CG-CB 4.43Å; Y401-K415 VanDerWaalsContact CZ-CB 3.44Å; Y401-K415 PolarHBondContact N-O 2.86Å; Y401-K415 PolarHBondContact O-N 2.86Å
416E92.3Very high89Confident131 Ų13172.7 Ų72.761%0.61236%0.359SS*.EExtended strand (participates in β ladder)trans-108.7152.2-170.8-47-166.3138.200110.6T400T400-E416 HydrophobicContact CG2-CB 4.03Å; T400-E416 HydrophobicContact CG2-CG 3.71Å
417I92Very high88.7Confident3 Ų369.4 Ų69.42%0.01535%0.348CS..EExtended strand (participates in β ladder)trans-130.7109.8173.4-54.3169.9000105.8L399 Y401 L419 T422 V575 W583 F585L399-I417 HydrophobicContact CB-CB 4.31Å; L399-I417 HydrophobicContact CD2-CD1 4.28Å; L399-I417 PolarHBondContact N-O 2.86Å; L399-I417 WeakPolarHBondContact O-CB 3.45Å; L399-I417 PolarHBondContact O-N 3.38Å; Y401-I417 HydrophobicContact CD1-CD1 4.11Å; Y401-I417 HydrophobicContact CD1-CG1 4.37Å; Y401-I417 HydrophobicContact CE1-CD1 3.89Å; Y401-I417 HydrophobicContact CE1-CG1 3.97Å; I417-L419 HydrophobicContact CG2-CD2 4.43Å; I417-L419 PolarHBondContact O-N 2.77Å; I417-T422 HydrophobicContact CG2-CG2 3.97Å; I417-V575 HydrophobicContact CG2-CG1 4.07Å; I417-W583 HydrophobicContact CD1-CB 3.88Å; I417-W583 HydrophobicContact CD1-CD2 3.65Å; I417-W583 HydrophobicContact CD1-CE3 4.16Å; I417-W583 HydrophobicContact CD1-CG 3.5Å; I417-W583 HydrophobicContact CG1-CD2 3.96Å; I417-W583 HydrophobicContact CG1-CE3 4.43Å; I417-W583 HydrophobicContact CG1-CG 4.21Å; I417-W583 HydrophobicContact CG1-CZ2 4.3Å; I417-W583 HydrophobicContact CG2-CD2 4.26Å; I417-W583 HydrophobicContact CG2-CE3 3.88Å; I417-W583 HydrophobicContact CG2-CH2 3.96Å; I417-W583 HydrophobicContact CG2-CZ2 4.32Å; I417-W583 HydrophobicContact CG2-CZ3 3.72Å; I417-F585 HydrophobicContact CD1-CE2 3.97Å; I417-F585 HydrophobicContact CD1-CZ 3.98Å
418D90.4Very high87.7Confident73 Ų7372.5 Ų72.539%0.3939%0.385SS..EExtended strand (participates in β ladder)trans-63.9112.6169.9163.729.3000109.3L420 R421 T422D418-L420 WeakPolarHBondContact OD1-CB 3Å; D418-L420 PolarHBondContact OD1-N 3.48Å; D418-R421 WeakPolarHBondContact OD2-CG 3.38Å; D418-T422 WeakPolarHBondContact O-CG2 3.43Å
419L92Very high86.5Confident0 Ų076.5 Ų76.50%040%0.402CS..G310 helixtrans-77.4-24.1-178.2-66.8-176.6000113.6L393 G397 L399 I417 R421 T422 V575 V600 Q603 I604L393-L419 HydrophobicContact CD1-CD1 3.39Å; G397-L419 WeakPolarHBondContact O-CB 3.31Å; G397-L419 WeakPolarHBondContact O-CG 3.25Å; G397-L419 PolarHBondContact O-N 2.8Å; L399-L419 HydrophobicContact CB-CD1 4.13Å; L399-L419 HydrophobicContact CB-CD2 3.84Å; L399-L419 HydrophobicContact CB-CG 4.02Å; L399-L419 HydrophobicContact CD2-CD2 4.37Å; I417-L419 HydrophobicContact CG2-CD2 4.43Å; I417-L419 PolarHBondContact O-N 2.77Å; L419-R421 PolarHBondContact O-N 3.41Å; L419-T422 WeakPolarHBondContact CA-OG1 3.05Å; L419-T422 WeakPolarHBondContact CD2-OG1 3.41Å; L419-T422 PolarHBondContact O-N 3.29Å; L419-T422 PolarHBondContact O-OG1 2.8Å; L419-V575 HydrophobicContact CD2-CG1 4.32Å; L419-V600 HydrophobicContact CD1-CG1 4.33Å; L419-V600 HydrophobicContact CD2-CG1 4.05Å; L419-Q603 HydrophobicContact CD1-CB 4.02Å; L419-Q603 HydrophobicContact CD1-CG 3.91Å; L419-I604 HydrophobicContact CB-CG1 3.86Å; L419-I604 HydrophobicContact CD1-CG1 4.45Å; L419-I604 HydrophobicContact CD2-CG1 4.42Å; L419-I604 HydrophobicContact CG-CG1 4.49Å
420L85.9Confident84Confident56 Ų5681.9 Ų81.929%0.29342%0.416SS..G310 helixtrans-55.1-30.1-178.7179.365.2000111.9D418 L608 C611D418-L420 WeakPolarHBondContact OD1-CB 3Å; D418-L420 PolarHBondContact OD1-N 3.48Å; L420-L608 HydrophobicContact CD1-CD2 3.96Å; L420-L608 HydrophobicContact CD1-CG 4.38Å; L420-C611 HydrophobicContact CD1-CB 4.18Å; L420-C611 VanDerWaalsContact CD1-SG 3.51Å; L420-C611 WeakPolarHBondContact CD2-SG 3.36Å
421R85.8Confident81.6Confident131 Ų13185 Ų8549%0.49444%0.435SS..G310 helixtrans-113.132.4-178.5-55.6-173.172.9-172.85.7112.5D418 L419 S577 L578D418-R421 WeakPolarHBondContact OD2-CG 3.38Å; L419-R421 PolarHBondContact O-N 3.41Å; R421-S577 CarbonylContact O-C 3.41Å; R421-S577 VanDerWaalsContact O-CA 3.29Å; R421-S577 WeakPolarHBondContact O-CA 3.47Å; R421-L578 HydrophobicContact CB-CD1 4.04Å; R421-L578 HydrophobicContact CB-CG 4.44Å; R421-L578 HydrophobicContact CG-CD1 4.46Å; R421-L578 PolarHBondContact O-N 2.68Å
422T90.3Very high79.3Confident14 Ų1484.9 Ų84.99%0.08644%0.441CS..EExtended strand (participates in β ladder)trans-131.3164.8176.9670000114I417 D418 L419 V575 V576 W583I417-T422 HydrophobicContact CG2-CG2 3.97Å; D418-T422 WeakPolarHBondContact O-CG2 3.43Å; L419-T422 WeakPolarHBondContact CA-OG1 3.05Å; L419-T422 WeakPolarHBondContact CD2-OG1 3.41Å; L419-T422 PolarHBondContact O-N 3.29Å; L419-T422 PolarHBondContact O-OG1 2.8Å; T422-V575 HydrophobicContact CG2-CG1 3.85Å; T422-V576 CarbonylContact C-O 3.59Å; T422-V576 WeakPolarHBondContact CA-O 3.45Å; T422-V576 WeakPolarHBondContact CB-O 3.23Å; T422-W583 HydrophobicContact CG2-CZ3 4.21Å
423T91.9Very high76.8Confident86 Ų8692.7 Ų92.753%0.52847%0.466SS..EExtended strand (participates in β ladder)trans-127.1164.3161.7-173.70000109.2V576T423-V576 HydrophobicContact CG2-CB 4.1Å; T423-V576 PolarHBondContact N-O 2.78Å; T423-V576 PolarHBondContact O-N 2.73Å
424V93.1Very high74.2Confident11 Ų1191.5 Ų91.57%0.06748%0.478CS..EExtended strand (participates in β ladder)trans-120.7129.3173.960.80000110.9F573 V574 V575 V597 V600 Q601 I604V424-F573 HydrophobicContact CG2-CB 4.33Å; V424-F573 HydrophobicContact CG2-CD2 3.73Å; V424-F573 HydrophobicContact CG2-CG 4.48Å; V424-V574 WeakPolarHBondContact CA-O 3.13Å; V424-V575 HydrophobicContact CG2-CG2 4.37Å; V424-V597 HydrophobicContact CG1-CG1 4.21Å; V424-V597 HydrophobicContact CG2-CG2 4.27Å; V424-V600 HydrophobicContact CB-CG1 4.13Å; V424-V600 HydrophobicContact CG1-CG1 4.1Å; V424-Q601 HydrophobicContact CG1-CG 3.42Å; V424-Q601 VanDerWaalsContact CG1-CG 3.42Å; V424-I604 HydrophobicContact CG1-CD1 4.46Å
425K92.1Very high71.5Confident136 Ų13695.2 Ų95.259%0.59149%0.494SS*.EExtended strand (participates in β ladder)trans-118.4125.7-176.9-179.8177.1179.7177.70110V574K425-V574 PolarHBondContact N-O 3.27Å; K425-V574 PolarHBondContact O-N 2.82Å
426V90.1Very high68.6Low18 Ų1895.2 Ų95.211%0.10951%0.506CS..  trans-89.5126.3166.8-176.40000107.9K429 F573 V597V426-K429 HydrophobicContact CB-CB 4.41Å; V426-K429 HydrophobicContact CB-CD 4.2Å; V426-K429 HydrophobicContact CB-CG 4.44Å; V426-K429 HydrophobicContact CG1-CD 4.13Å; V426-K429 HydrophobicContact CG1-CG 4.25Å; V426-F573 HydrophobicContact CG2-CB 4.48Å; V426-V597 HydrophobicContact CG2-CG1 4.08Å; V426-V597 HydrophobicContact CG2-CG2 3.76Å
427P82.5Confident65.7Low48 Ų4893.6 Ų93.631%0.31252%0.516SS..SBendtrans-55.2150.7171.1-25.536.3000112.1K429 E572 V574P427-K429 PolarHBondContact O-N 2.98Å; P427-E572 WeakPolarHBondContact CD-O 3.4Å; P427-E572 HydrophobicContact CG-CB 4.02Å; P427-V574 HydrophobicContact CG-CG2 4.44Å
428G71.3Confident62.7Low87 Ų87100.1 Ų100.190%0.89756%0.556SS**SBendtrans76-40.9-179.600000115.9R430G428-R430 PolarHBondContact O-N 3.42Å
429K63.4Low59.8Low113 Ų113100.8 Ų100.849%0.49157%0.572SS.*PPolyproline II helixtrans-68.6122.2176.9-69.8-172.9177.3-178.60111V426 P427 E594V426-K429 HydrophobicContact CB-CB 4.41Å; V426-K429 HydrophobicContact CB-CD 4.2Å; V426-K429 HydrophobicContact CB-CG 4.44Å; V426-K429 HydrophobicContact CG1-CD 4.13Å; V426-K429 HydrophobicContact CG1-CG 4.25Å; P427-K429 PolarHBondContact O-N 2.98Å; K429-E594 IonicContact NZ-OE1 3.61Å; K429-E594 PolarHBondContact NZ-OE1 2.73Å; K429-E594 IonicContact NZ-OE2 3.82Å; K429-E594 PolarHBondContact NZ-OE2 3.09Å
430R36.3Very low57Low238 Ų238106.6 Ų106.690%0.89861%0.609SS**PPolyproline II helixtrans-69.7144.3165.7-67.1-171.7-173.9-172.83.5109.4G428G428-R430 PolarHBondContact O-N 3.42Å
431L37.2Very low54.5Low165 Ų165107.8 Ų107.886%0.86464%0.635SS**PPolyproline II helixtrans-63.6135168.6-77.2163000109.7R433L431-R433 PolarHBondContact O-N 3.13Å
432P34.7Very low52Low119 Ų119108 Ų10877%0.77365%0.651SS**PPolyproline II helixtrans-58.9133.4169.1-22.733.9000110.6A434P432-A434 PolarHBondContact O-N 2.91Å
433R28Very low49.3Very low231 Ų231113 Ų11387%0.87269%0.686SS**PPolyproline II helixtrans-68.4127.7169-172.4177.8-171.1169.33107.6L431 T435L431-R433 PolarHBondContact O-N 3.13Å; R433-T435 PolarHBondContact O-N 3.24Å
434A30.2Very low46.6Very low101 Ų101113.9 Ų113.984%0.83569%0.694SS**  trans-65.5101.1177.300000110.2P432P432-A434 PolarHBondContact O-N 2.91Å
435T29.4Very low43.8Very low115 Ų115124.9 Ų124.971%0.70673%0.734SS**  trans-82.3140.9161.842.20000108.9R433 A437R433-T435 PolarHBondContact O-N 3.24Å; T435-A437 PolarHBondContact O-N 2.65Å; T435-A437 VanDerWaalsContact O-N 3.1Å
436P32.4Very low41.1Very low123 Ų123122.2 Ų122.280%0.79974%0.737SS**  trans-64115174.826.6-33.1000109.3T438P436-T438 PolarHBondContact O-N 2.93Å
437A30.5Very low38.5Very low98 Ų98129.1 Ų129.181%0.8177%0.774SS**  trans-77.4105.2177.900000109.5T435 A439T435-A437 PolarHBondContact O-N 2.65Å; T435-A437 VanDerWaalsContact O-N 3.1Å; A437-A439 PolarHBondContact O-N 3.47Å
438T28.8Very low36.1Very low139 Ų139130.2 Ų130.285%0.85379%0.794SS**  trans-60.3117.1173.3-39.90000109.3P436P436-T438 PolarHBondContact O-N 2.93Å
439A30.8Very low34.4Very low88 Ų88134.6 Ų134.673%0.72780%0.796SS**  trans-67.1131.4-179.500000110.6A437 G441A437-A439 PolarHBondContact O-N 3.47Å; A439-G441 PolarHBondContact O-N 3.11Å
440P32.8Very low32.9Very low121 Ų121134.2 Ų134.279%0.78681%0.808SS**  trans-74.811017929-33000110.7
441G32.1Very low32.9Very low82 Ų82128.7 Ų128.785%0.84580%0.8SS**  trans-64.3140.6171.800000111.8A439A439-G441 PolarHBondContact O-N 3.11Å
442T34.8Very low32.7Very low134 Ų134127.9 Ų127.982%0.82279%0.791SS**  trans-114.7163.3176.649.60000111.3
443S32.7Very low32.7Very low119 Ų119132 Ų13283%0.83279%0.792SS**  trans78.8148.4-173.2-73.60000117
444P35Very low33.1Very low105 Ų105125.8 Ų125.868%0.68278%0.784SS**  trans-139.1176.3-136.941-22000117.5
445R33.8Very low33.2Very low243 Ų243127.9 Ų127.992%0.91778%0.781SS**  trans78.8144.9172.6-53.4174.4172.8167.3-3.2113.9
446A36.1Very low33.4Very low79 Ų79127.7 Ų127.765%0.65378%0.78SS**  cis-144.8158.85.400000112.2
447N34.7Very low33.3Very low163 Ų163129.7 Ų129.787%0.87278%0.778SS**  trans58.2126.5163.5-51.7-13.3000116.1
448G32Very low33.4Very low72 Ų72132.9 Ų132.974%0.74278%0.781SS**  cis102.9124.847.500000107.6
449L37.4Very low33.5Very low179 Ų179130.1 Ų130.194%0.93778%0.78SS**  cis-141.4172.725.2-71.2158.4000112.6
450S30.6Very low33.4Very low105 Ų105130 Ų13073%0.73479%0.788SS**  trans-76.5167.8168.648.80000112
451V37.4Very low33.4Very low121 Ų121128 Ų12873%0.73379%0.789SS**  -165.6156.864.4163.50000111.2
452E33.3Very low33.4Very low148 Ų148131.5 Ų131.569%0.69279%0.794SS**  trans7.7137.5165-67.3-163.1115.700122.3
453R34.8Very low33.3Very low207 Ų207128.9 Ų128.978%0.78179%0.794SS**  cis90.4103.239.4-175.5-155-165.5-178.15.5113.6
454S35.6Very low33.5Very low100 Ų100128 Ų12870%0.69979%0.794SS**  trans146.4121.2138.5-66.80000114.7
455N31.4Very low33.9Very low145 Ų145128 Ų12878%0.77579%0.793SS**  trans65.9134.1139-78.54.2000125
456T33.6Very low34.1Very low111 Ų111125.8 Ų125.868%0.68179%0.793SS**  trans73.5112.413850.50000122.4
457Q31.6Very low34.2Very low164 Ų164127.8 Ų127.877%0.76680%0.802SS**  89.7134125-77.5-175.10.300121.6
458L31.5Very low34.4Very low166 Ų166124.2 Ų124.287%0.86980%0.796SS**  trans70.5152145.7-67.9163.5000119.3
459G32.1Very low34.7Very low80 Ų80126.6 Ų126.683%0.82580%0.801SS**  trans99.498.8168.400000114.8
460G28.5Very low34.8Very low87 Ų87123.5 Ų123.590%0.89779%0.794SS**  trans-86.6154.7160.700000111.1
461G32.9Very low35.1Very low79 Ų79122.7 Ų122.781%0.81479%0.794SS**  trans-17497.117700000111.8
462T30.7Very low35.1Very low155 Ų155121.7 Ų121.795%0.95179%0.792SS**  trans-77.7123.5178.747.20000111.4
463G33.7Very low35.3Very low79 Ų79121.7 Ų121.781%0.81480%0.796SS**  trans-158.3123.517300000111.9
464A37.6Very low35.3Very low101 Ų101119.6 Ų119.684%0.83580%0.795SS**  trans-154.2175.8178.300000108.1
465P42.7Very low35.5Very low103 Ų103120 Ų12067%0.66980%0.798SS**  cis-126176.3-1340.1-26.3000112.9
466H37.9Very low35.8Very low198 Ų198119.7 Ų119.792%0.91779%0.791SS**  trans-147.9162.8155.7-84.4-53.3000111.5
467S37.2Very low36Very low120 Ų120125.1 Ų125.184%0.83980%0.8SS**  trans-132.5151.7-147.9-43.30000116.1
468A38.9Very low36.5Very low89 Ų89122.3 Ų122.374%0.73680%0.796SS**  trans-157.7118153.100000107.6
469S39.6Very low36.7Very low121 Ų121122.6 Ų122.685%0.84680%0.797SS**  73.1132.182.5-60.90000112.9
470S39.5Very low37Very low114 Ų114123.9 Ų123.980%0.79779%0.793SS**  cis-162162.524.238.20000115.6
471A37.7Very low37.1Very low88 Ų88124.7 Ų124.773%0.72779%0.785SS**  trans60122.8159.100000119.8
472S35.5Very low37.4Very low100 Ų100126.3 Ų126.370%0.69978%0.784SS**  cis84.4139.644.480.40000114
473L37.8Very low37.4Very low149 Ų149122.7 Ų122.778%0.7877%0.77SS**  cis-147.4136.636.1-61.7155.9000115.5
474H36Very low37.4Very low162 Ų162130.8 Ų130.875%0.7578%0.776SS**  trans44126.2130.7-64.2-66.9000127.9
475S39.5Very low37.1Very low109 Ų109131.1 Ų131.176%0.76278%0.779SS**  -174.9108.9116.2-1790000108.9
476E38Very low36.5Very low138 Ų138129.8 Ų129.865%0.64578%0.783SS**  57.7121.790-68.9-65.3113.900113.2
477R38.3Very low36.3Very low226 Ų226126.1 Ų126.185%0.85378%0.777SS**  cis-149.8171.424.6-101.9174174.5-165.3-5.2115.4
478P40.3Very low36Very low105 Ų105131.3 Ų131.368%0.68278%0.778SS**  trans-131.3-160.1-164.644.6-28000116.6
479L37.2Very low36Very low172 Ų172131.6 Ų131.690%0.90177%0.773SS**  trans111.2140.7169.7-61.6162.2000113.9
480S36.8Very low35.4Very low106 Ų106134.6 Ų134.674%0.74177%0.773SS**  cis-142.8169.913.361.30000116.3
481S32.5Very low35.1Very low105 Ų105132.9 Ų132.973%0.73477%0.774SS**  trans-30.9162.8164.1490000118.9
482S37.7Very low34.8Very low113 Ų113135.9 Ų135.979%0.7978%0.777SS**  cis-175.6170.97.933.80000108.3
483A30.8Very low34.7Very low78 Ų78139.5 Ų139.565%0.64578%0.782SS**  cis164.1164.6-20.400000106.6
484W34Very low34.1Very low250 Ų250141 Ų14195%0.94779%0.785SS**  trans83.7111175.7-54.16.5000114.5
485A31.2Very low33.7Very low108 Ų108144.4 Ų144.489%0.89379%0.791SS**  89.8137.37400000112.6
486G31Very low33.3Very low74 Ų74144.8 Ų144.876%0.76379%0.794SS**  cis-148.2-157.410.700000114.7
487P33.7Very low32.5Very low121 Ų121144.4 Ų144.479%0.78681%0.806SS**  trans-129.3148.6-151.940.9-27.4000119.8
488R30.7Very low32.1Very low230 Ų230139.2 Ų139.287%0.86880%0.804SS**  trans56.9175.7141.8-85.9-171-176.2-153.73.4120.2
489P37.6Very low31.5Very low95 Ų95140.5 Ų140.562%0.61781%0.809SS**  cis-132.2178-18.830.8-9.6000116.1
490E28.1Very low31.2Very low183 Ų183137.2 Ų137.286%0.85580%0.801SS**  trans58.4136.8142.3-75.3155.6-14700123.7
491G33.7Very low30.7Very low79 Ų79137.9 Ų137.981%0.81481%0.806SS**  trans178.165179.900000117
492L30.2Very low30.7Very low151 Ų151137.7 Ų137.779%0.79181%0.81SS**  trans-18.2127.7165.8-71.8141.2000119.3
493H33.4Very low30.3Very low175 Ų175139 Ų13981%0.8181%0.808SS**  173158103-95.5-67.6000114.6
494Q24.8Very low30.4Very low180 Ų180144.2 Ų144.284%0.84182%0.819SS**  trans-89.3146.1177.6-59.4164.3-27.700112.3
495R29.3Very low30.1Very low234 Ų234143.5 Ų143.588%0.88382%0.816SS**  177.6131.5125.4-100.9163.9-179.2-169.8-0.1115.9
496S29.5Very low30.2Very low117 Ų117144.2 Ų144.282%0.81882%0.815SS**  trans61.4140.6139.8-54.80000121.9
497C22.7Very low30.1Very low131 Ų131149.8 Ų149.889%0.88582%0.821SS**  trans-106.7144.5-176.4-460000113.3
498S29.7Very low29.9Very low116 Ų116147.8 Ų147.881%0.81182%0.815SS**  trans179.4146.416151.90000109.8
499V27Very low29.8Very low133 Ų133142.9 Ų142.981%0.80681%0.811SS**  cis-173161.3-25.3118.70000105.9
500S29.9Very low29.4Very low102 Ų102144 Ų14471%0.71382%0.816SS**  trans71.6129.7-177.9-53.90000114.9
501S26.7Very low29.6Very low121 Ų121139.8 Ų139.885%0.84681%0.807SS**  cis9299.331.1-60.90000114.3
502A33.1Very low29.7Very low100 Ų100144.2 Ų144.283%0.82681%0.811SS**  trans-166.5123.514700000108.7
503D29.9Very low30.1Very low141 Ų141142.2 Ų142.275%0.75481%0.807SS**  trans-88.2148.4174.4-63.5-85.3000111.6
504Q32.1Very low30.5Very low187 Ų187140 Ų14087%0.87481%0.808SS**  trans-161.2125.8144.9-120.8142.4104.300111.4
505W28Very low31Very low235 Ų235135 Ų13589%0.8981%0.805SS**  trans-97.2144.4162-74.736.5000108.3
506S34.2Very low31.3Very low123 Ų123132.1 Ų132.186%0.8680%0.804SS**  trans-150.9137.3160.1-74.10000107.9
507E28.1Very low31.6Very low191 Ų191135 Ų13589%0.89380%0.804SS**  trans-111.9175.7-165.8-156.3176.4-175.400111.8
508A29.2Very low32.1Very low80 Ų80137.6 Ų137.666%0.66180%0.803SS**  trans77.9104.616100000120.4
509T28.1Very low32.6Very low126 Ų126137.3 Ų137.377%0.77380%0.799SS**  48.1122.7119.4-21.40000118
510T29Very low32.9Very low119 Ų119135.5 Ų135.573%0.7380%0.797SS**  -173.7154.556.8-39.80000112.7
511S33.3Very low33.2Very low94 Ų94136.2 Ų136.266%0.65780%0.802SS**  trans51.898.3152.458.50000123
512L34.7Very low33.6Very low172 Ų172133.7 Ų133.790%0.90180%0.796SS**  62.1148.6126.4-65.3166.9000123.2
513P38.9Very low34.1Very low110 Ų110135 Ų13571%0.71480%0.795SS**  trans-130.3-153-167.947.6-29.7000112.5
514P42.9Very low34.4Very low127 Ų127132.5 Ų132.583%0.82580%0.795SS**  cis-123.8167.7-27.530.7-12.9000113.7
515G33.8Very low34.6Very low77 Ų77132.2 Ų132.279%0.79479%0.794SS**  trans-171.883.7174.800000118.8
516M36.6Very low35Very low173 Ų173126.3 Ų126.385%0.85278%0.783SS**  trans31.1139.7146.4-78.7-173.5175.600124.6
517Q35.9Very low35.1Very low177 Ų177128.2 Ų128.283%0.82778%0.783SS**  trans93.3106.6144.3-71.5163.326.600122.1
518H33.2Very low35.4Very low186 Ų186123.7 Ų123.786%0.86177%0.772SS**  trans-65.7-179.7151.3-83.6-66.7000113.4
519P40.9Very low35.7Very low110 Ų110125 Ų12571%0.71478%0.777SS**  cis-139.3-172.2-2534-13.3000115.1
520A32.6Very low36Very low94 Ų94124.3 Ų124.378%0.77778%0.777SS**  trans73.7156159.200000116.9
521S36.9Very low36.5Very low117 Ų117124.6 Ų124.682%0.81878%0.781SS**  cis-141.4168.511-53.70000112.3
522G34.5Very low36.3Very low69 Ų69128.9 Ų128.971%0.71179%0.787SS**  trans-89-148.8166.700000112.7
523P43.6Very low36.3Very low126 Ų126128.8 Ų128.882%0.81879%0.787SS**  cis-142.8-1682.743-23.7000115.8
524A36.2Very low35.9Very low90 Ų90130.5 Ų130.574%0.74479%0.79SS**  trans72.7144.614700000118.5
525E35.3Very low35.8Very low181 Ų181130 Ų13085%0.84679%0.787SS**  cis-135.4-175.8-10-63.3-164.2140.900107.8
526V36.3Very low36Very low111 Ų111131.9 Ų131.967%0.67379%0.785SS**  cis-170.2130.945.7173.20000109.8
527L36.8Very low35.9Very low163 Ų163129.1 Ų129.185%0.85378%0.78SS**  trans48.9146.7154.7-57.8171.6000122.1
528S35Very low35.8Very low95 Ų95126.1 Ų126.166%0.66478%0.779SS**  cis-161.5127.4-9.752.50000114.3
529S34.3Very low36Very low108 Ų108122.5 Ų122.576%0.75577%0.772SS**  trans45.3103.1143.362.70000123.3
530S34.6Very low35.6Very low112 Ų112125.8 Ų125.878%0.78378%0.777SS**  -3.8162111.2-60.10000118.9
531P39.4Very low35.5Very low124 Ų124125.9 Ų125.981%0.80577%0.772SS**  cis-150.1-175.536.444.2-22.9000119.5
532K29.3Very low35.1Very low184 Ų184126.1 Ų126.180%0.877%0.765SS**  trans-58.3159.2167.3-64.1176174.7-179.10113.2
533L35.6Very low34.9Very low170 Ų170133.4 Ų133.489%0.8977%0.771SS**  trans-121.3112.7162-72.5172.7000110.6
534D29.5Very low34.3Very low146 Ų146135.9 Ų135.978%0.78177%0.768SS**  trans-93131.1165-73.1-72.5000110.1
535P41.3Very low33.9Very low116 Ų116140.3 Ų140.375%0.75377%0.771SS**  trans-98.2158161.334-27.5000112.1
536P37.4Very low33.9Very low117 Ų117141.3 Ų141.376%0.7678%0.775SS**  trans-108.6164.7-130.738.8-37.6000116.9
537P35.8Very low33.6Very low115 Ų115145.7 Ų145.775%0.74778%0.78SS**  trans-77.1168.9166.534.7-36.9000112.7
538S32.7Very low33.4Very low115 Ų115150.4 Ų150.480%0.80479%0.786SS**  trans106.3158.4171.3-57.40000116.3
539P38.2Very low33.2Very low110 Ų110153 Ų15371%0.71479%0.786SS**  cis-141.5168.3-38.438.9-22.6000116.4
540H31.4Very low33Very low178 Ų178158.1 Ų158.182%0.82479%0.794SS**  trans32.9108.2145.5-73.7-76.5000123.1
541S30.5Very low33.1Very low96 Ų96157.1 Ų157.167%0.67179%0.787SS**  96.3158.4112.186.10000122.4
542N29.1Very low32.9Very low123 Ų123158.5 Ų158.566%0.65879%0.793SS**  trans73.4103.2153.3-79.3-68.2000121.9
543R30Very low33.3Very low222 Ų222153 Ų15384%0.83879%0.789SS**  79.8133.8126.2-74172.1156.3-176.4-4.3121.3
544K30.6Very low33.5Very low177 Ų177151.6 Ų151.677%0.7779%0.787SS**  trans79.597.8148.2-78.5179.6175.51770120.1
545K29Very low34Very low183 Ų183149.7 Ų149.780%0.79678%0.783SS**  51119.6120.7-62.4179.7179.1-174.70118.6
546H35.7Very low33.8Very low203 Ų203155.6 Ų155.694%0.9479%0.79SS**  -142.892.5129.4-115.1-85.9000112
547R29.4Very low33.8Very low203 Ų203155.2 Ų155.277%0.76679%0.788SS**  trans-95.4109.7176.6-176.8-169.9-167.5178.89.8109.6K549R547-K549 PolarHBondContact O-N 3.47Å; R547-K549 VanDerWaalsContact O-N 3.13Å
548R33.3Very low33.9Very low261 Ų261157.7 Ų157.799%0.98580%0.795SS**  trans-77.394.3172.7-163.5178.1-168.8-177.34109.9
549K29.3Very low34Very low151 Ų151155.8 Ų155.866%0.65779%0.794SS**  trans-121.8130.6169.1-135-163.1-177.6-157.60109.4R547R547-K549 PolarHBondContact O-N 3.47Å; R547-K549 VanDerWaalsContact O-N 3.13Å
550K29.9Very low33.8Very low215 Ų215156.4 Ų156.494%0.93580%0.797SS**  trans-111.5102.5176.2-179.6-176.5177.8-176.90108.8
551S36.9Very low33.7Very low91 Ų91153.3 Ų153.364%0.63680%0.796SS**  trans-162.3125.5170.753.50000109.3
552T37Very low33.6Very low152 Ų152154.7 Ų154.793%0.93381%0.806SS**  trans-80.5160.6-177.4-42.90000111.5
553G37.5Very low33.8Very low69 Ų69152.7 Ų152.771%0.71181%0.806SS**  trans113.1134.6164.800000114.6
554T39.4Very low33.9Very low140 Ų140148.6 Ų148.686%0.85981%0.806SS**  trans-135.4-177.2179.664.70000108.9
555P38.7Very low34.1Very low106 Ų106149.3 Ų149.369%0.68881%0.812SS**  -134.8173.3-96.338.8-20.2000115.2
556R37.4Very low34.5Very low240 Ų240149.9 Ų149.991%0.90682%0.817SS**  trans-177.3152.4130.3-95.4148.9-161.1-1105110.9
557P37.2Very low34.5Very low110 Ų110144.4 Ų144.471%0.71481%0.808SS**  trans-103.9159.5-17939.6-33.2000113.3
558D38.4Very low35.3Very low167 Ų167143.9 Ų143.989%0.89381%0.814SS**  trans-179.7151.8131.5-92.1-26.8000110.7
559G35Very low36.3Very low75 Ų75138 Ų13877%0.77380%0.798SS**  trans81.5125168.900000117.6
560P35Very low38.4Very low122 Ų122133.6 Ų133.679%0.79279%0.786SS**  trans-105.4155.317637.3-31.7000114.9
561S27.9Very low41.2Very low114 Ų114126.3 Ų126.380%0.79775%0.754SS**  trans107.6149159.9-44.80000117.9
562S28.7Very low43.9Very low125 Ų125123.6 Ų123.687%0.87473%0.731SS**  trans62.585.4173.957.60000119.4
563A33.1Very low46.6Very low80 Ų80116.4 Ų116.466%0.66169%0.687SS**  trans-167.5108.9142.800000106.8
564T33.2Very low49.3Very low136 Ų136113.7 Ų113.783%0.83466%0.657SS**  45.667.791.363.60000114.1
565E34.7Very low51.9Low193 Ų193107 Ų10790%0.90262%0.616SS**  trans-76.3126.7151.5-70.6-171.3149.500107.9A567E565-A567 PolarHBondContact O-N 3.19Å
566E35.9Very low54.4Low194 Ų194103.8 Ų103.891%0.90759%0.594SS**  trans-72.2120.2-173.9-62.8-178.9133.800110.5E568E566-E568 PolarHBondContact O-N 3.04Å
567A36.5Very low56.8Low89 Ų8993 Ų9374%0.73656%0.556SS**  trans-74.3114.6169.300000108.7E565 E569E565-A567 PolarHBondContact O-N 3.19Å; A567-E569 PolarHBondContact O-N 2.94Å
568E46Very low58.8Low192 Ų19294.2 Ų94.290%0.89756%0.555SS**  trans-55.3107166.1-68-175.8135.700108.4E566 S570E566-E568 PolarHBondContact O-N 3.04Å; E568-S570 VanDerWaalsContact C-N 3.26Å; E568-S570 PolarHBondContact O-N 2.94Å
569E55.3Low60.7Low138 Ų13889.5 Ų89.565%0.64553%0.532SS*.  trans-70.181.3-177.7-75.8-150.812200110.7A567 F571A567-E569 PolarHBondContact O-N 2.94Å; E569-F571 HydrophobicContact CB-CE1 3.96Å; E569-F571 WeakPolarHBondContact O-CD1 3.44Å; E569-F571 WeakPolarHBondContact O-CE1 3.16Å; E569-F571 PolarHBondContact O-N 2.78Å
570S72.4Confident62.9Low58 Ų5888.6 Ų88.641%0.40652%0.523SS..  trans-57117.2175.864.90000110E568 E572E568-S570 VanDerWaalsContact C-N 3.26Å; E568-S570 PolarHBondContact O-N 2.94Å; S570-E572 PolarHBondContact O-N 2.85Å
571F89.8Confident65.3Low61 Ų6188.4 Ų88.427%0.26851%0.512SS..  trans-78.224.7175.7-48.9-44.1000112.2E569 E586 A587 A590 R593E569-F571 HydrophobicContact CB-CE1 3.96Å; E569-F571 WeakPolarHBondContact O-CD1 3.44Å; E569-F571 WeakPolarHBondContact O-CE1 3.16Å; E569-F571 PolarHBondContact O-N 2.78Å; F571-E586 HydrophobicContact CB-CG 4.47Å; F571-E586 WeakPolarHBondContact O-CA 3.35Å; F571-A587 WeakPolarHBondContact CB-O 3.28Å; F571-A587 PolarHBondContact O-N 2.65Å; F571-A587 VanDerWaalsContact O-N 3.17Å; F571-A590 HydrophobicContact CD1-CB 3.85Å; F571-A590 VanDerWaalsContact CD1-N 3.3Å; F571-A590 HydrophobicContact CE1-CB 3.82Å; F571-R593 WeakPolarHBondContact O-CG 3.26Å
572E92.6Very high68.3Low35 Ų3586.5 Ų86.516%0.16450%0.495CS..EExtended strand (participates in β ladder)trans-71.1143.9179.9-80-155.3-133.700112.7R377 W386 P427 S570 H584 F585 E586 R593R377-E572 IonicContact NH1-OE1 2.77Å; R377-E572 PolarHBondContact NH1-OE1 3.31Å; R377-E572 IonicContact NH1-OE2 3.31Å; W386-E572 HydrophobicContact CH2-CG 3.73Å; W386-E572 VanDerWaalsContact CZ2-CD 3.49Å; W386-E572 HydrophobicContact CZ2-CG 3.86Å; W386-E572 WeakPolarHBondContact CZ2-OE1 3.43Å; P427-E572 WeakPolarHBondContact CD-O 3.4Å; P427-E572 HydrophobicContact CG-CB 4.02Å; S570-E572 PolarHBondContact O-N 2.85Å; E572-H584 IonicContact OE2-CE1 3.37Å; E572-H584 IonicContact OE2-CG 3.91Å; E572-H584 IonicContact OE2-ND1 2.74Å; E572-H584 PolarHBondContact OE2-ND1 2.68Å; E572-F585 CarbonylContact C-O 3.59Å; E572-F585 VanDerWaalsContact CA-O 3.29Å; E572-F585 WeakPolarHBondContact CA-O 3.32Å; E572-E586 HydrophobicContact CG-CB 4.45Å; E572-R593 WeakPolarHBondContact O-CD 3.43Å
573F94.8Very high71.5Confident1 Ų182 Ų820%0.00446%0.459CS..EExtended strand (participates in β ladder)trans-140.1151.9157.269-85.9000110.2L374 V424 V426 V575 F585 R593 W596 V597L374-F573 HydrophobicContact CD1-CE1 3.97Å; L374-F573 HydrophobicContact CD1-CZ 3.66Å; L374-F573 HydrophobicContact CD2-CE1 4.3Å; V424-F573 HydrophobicContact CG2-CB 4.33Å; V424-F573 HydrophobicContact CG2-CD2 3.73Å; V424-F573 HydrophobicContact CG2-CG 4.48Å; V426-F573 HydrophobicContact CG2-CB 4.48Å; F573-V575 HydrophobicContact CD2-CG2 4.39Å; F573-V575 HydrophobicContact CE2-CG2 4.21Å; F573-F585 HydrophobicContact CD1-CB 4.11Å; F573-F585 HydrophobicContact CD2-CB 4.34Å; F573-F585 HydrophobicContact CE1-CB 3.67Å; F573-F585 HydrophobicContact CE2-CB 3.93Å; F573-F585 AromaticContact CE2-CD2 4Å; F573-F585 HydrophobicContact CE2-CD2 4Å; F573-F585 HydrophobicContact CE2-CG 4.26Å; F573-F585 HydrophobicContact CG-CB 4.44Å; F573-F585 HydrophobicContact CZ-CB 3.59Å; F573-F585 HydrophobicContact CZ-CD2 4.29Å; F573-F585 HydrophobicContact CZ-CG 4.1Å; F573-F585 PolarHBondContact N-O 2.75Å; F573-F585 PolarHBondContact O-N 2.89Å; F573-R593 HydrophobicContact CB-CG 4.44Å; F573-R593 HydrophobicContact CD1-CG 4.13Å; F573-W596 HydrophobicContact CE1-CB 3.85Å; F573-W596 HydrophobicContact CE1-CG 4.36Å; F573-W596 HydrophobicContact CZ-CB 3.85Å; F573-W596 HydrophobicContact CZ-CG 4.32Å; F573-V597 HydrophobicContact CB-CG2 3.62Å; F573-V597 HydrophobicContact CD1-CG2 4.34Å; F573-V597 HydrophobicContact CD2-CG2 4.24Å; F573-V597 HydrophobicContact CG-CG2 3.84Å
574V93.8Very high74.4Confident12 Ų1280.1 Ų80.17%0.07344%0.437CS..EExtended strand (participates in β ladder)trans-123.8116.2-175.2-166.30000109.1V424 K425 P427 V576 T582 H584V424-V574 WeakPolarHBondContact CA-O 3.13Å; K425-V574 PolarHBondContact N-O 3.27Å; K425-V574 PolarHBondContact O-N 2.82Å; P427-V574 HydrophobicContact CG-CG2 4.44Å; V574-V576 HydrophobicContact CB-CG2 4.41Å; V574-V576 HydrophobicContact CG1-CG2 3.92Å; V574-T582 HydrophobicContact CG1-CG2 4.36Å; V574-H584 WeakPolarHBondContact CG2-ND1 3.25Å
575V93.9Very high77.4Confident0 Ų073.7 Ų73.70%040%0.397CS..EExtended strand (participates in β ladder)trans-80133.1165.5-175.60000107.6L399 I417 L419 T422 V424 F573 T582 W583 F585 V600L399-V575 HydrophobicContact CD2-CG2 4.01Å; I417-V575 HydrophobicContact CG2-CG1 4.07Å; L419-V575 HydrophobicContact CD2-CG1 4.32Å; T422-V575 HydrophobicContact CG2-CG1 3.85Å; V424-V575 HydrophobicContact CG2-CG2 4.37Å; F573-V575 HydrophobicContact CD2-CG2 4.39Å; F573-V575 HydrophobicContact CE2-CG2 4.21Å; V575-T582 CarbonylContact O-C 3.6Å; V575-T582 WeakPolarHBondContact O-CA 3.34Å; V575-W583 HydrophobicContact CB-CE3 4.18Å; V575-W583 HydrophobicContact CG1-CE3 4.09Å; V575-W583 HydrophobicContact CG1-CZ3 4.46Å; V575-W583 PolarHBondContact N-O 2.8Å; V575-W583 PolarHBondContact O-N 2.86Å; V575-F585 HydrophobicContact CG2-CD2 4.36Å; V575-F585 HydrophobicContact CG2-CE2 4.31Å; V575-V600 HydrophobicContact CG2-CG1 4.49Å
576V91.2Very high80.2Confident37 Ų3766.7 Ų66.722%0.22436%0.364CS..EExtended strand (participates in β ladder)trans-130.9122.6-173.7-176.80000108.7T422 T423 V574 Q581 T582T422-V576 CarbonylContact C-O 3.59Å; T422-V576 WeakPolarHBondContact CA-O 3.45Å; T422-V576 WeakPolarHBondContact CB-O 3.23Å; T423-V576 HydrophobicContact CG2-CB 4.1Å; T423-V576 PolarHBondContact N-O 2.78Å; T423-V576 PolarHBondContact O-N 2.73Å; V574-V576 HydrophobicContact CB-CG2 4.41Å; V574-V576 HydrophobicContact CG1-CG2 3.92Å; V576-Q581 CarbonylContact C-O 3.52Å; V576-Q581 WeakPolarHBondContact CA-O 3.32Å; V576-T582 HydrophobicContact CB-CG2 4.47Å; V576-T582 HydrophobicContact CG1-CG2 4.14Å; V576-T582 HydrophobicContact CG2-CG2 4.05Å
577S88Confident83Confident15 Ų1557.7 Ų57.711%0.10532%0.324CS..EExtended strand (participates in β ladder)trans-79.5159.4175.471.60000112.6R421 T579 G580 Q581R421-S577 CarbonylContact O-C 3.41Å; R421-S577 VanDerWaalsContact O-CA 3.29Å; R421-S577 WeakPolarHBondContact O-CA 3.47Å; S577-T579 PolarHBondContact O-N 2.96Å; S577-T579 PolarHBondContact OG-N 3.18Å; S577-T579 VanDerWaalsContact OG-N 3.14Å; S577-T579 PolarHBondContact OG-OG1 3.45Å; S577-G580 PolarHBondContact O-N 2.99Å; S577-G580 PolarHBondContact OG-N 2.73Å; S577-Q581 PolarHBondContact N-O 2.84Å; S577-Q581 WeakPolarHBondContact OG-CB 3.41Å; S577-Q581 PolarHBondContact OG-N 2.68Å
578L78.2Confident85.6Confident135 Ų13557.8 Ų57.871%0.70732%0.319SS*.THydrogen-bonded Turntrans-60.3-8.4164.8-65.9175000113.3R421R421-L578 HydrophobicContact CB-CD1 4.04Å; R421-L578 HydrophobicContact CB-CG 4.44Å; R421-L578 HydrophobicContact CG-CD1 4.46Å; R421-L578 PolarHBondContact O-N 2.68Å
579T78.4Confident87.8Confident67 Ų6751.3 Ų51.341%0.41129%0.293SS..THydrogen-bonded Turntrans-101.58.4173.357.50000113.2S577 Q581S577-T579 PolarHBondContact O-N 2.96Å; S577-T579 PolarHBondContact OG-N 3.18Å; S577-T579 VanDerWaalsContact OG-N 3.14Å; S577-T579 PolarHBondContact OG-OG1 3.45Å; T579-Q581 VanDerWaalsContact C-N 3.27Å; T579-Q581 PolarHBondContact O-N 3.48Å
580G81.9Confident89.4Confident57 Ų5746 Ų4659%0.58827%0.272SS*.SBendtrans77.51.5178.600000115.2S577S577-G580 PolarHBondContact O-N 2.99Å; S577-G580 PolarHBondContact OG-N 2.73Å
581Q85.9Confident90.3Very high118 Ų11850.5 Ų50.555%0.55129%0.287SS*.  trans-69.3138.7172.9-61.5-171.71800109.7V576 S577 T579 W583V576-Q581 CarbonylContact C-O 3.52Å; V576-Q581 WeakPolarHBondContact CA-O 3.32Å; S577-Q581 PolarHBondContact N-O 2.84Å; S577-Q581 WeakPolarHBondContact OG-CB 3.41Å; S577-Q581 PolarHBondContact OG-N 2.68Å; T579-Q581 VanDerWaalsContact C-N 3.27Å; T579-Q581 PolarHBondContact O-N 3.48Å; Q581-W583 HydrophobicContact CB-CH2 3.66Å; Q581-W583 HydrophobicContact CB-CZ2 3.9Å; Q581-W583 HydrophobicContact CB-CZ3 4.18Å
582T90.9Very high90.5Very high73 Ų7349.3 Ų49.345%0.44828%0.282SS..EExtended strand (participates in β ladder)trans-126138.2-177.559.10000112.3V574 V575 V576V574-T582 HydrophobicContact CG1-CG2 4.36Å; V575-T582 CarbonylContact O-C 3.6Å; V575-T582 WeakPolarHBondContact O-CA 3.34Å; V576-T582 HydrophobicContact CB-CG2 4.47Å; V576-T582 HydrophobicContact CG1-CG2 4.14Å; V576-T582 HydrophobicContact CG2-CG2 4.05Å
583W94.1Very high90.6Very high31 Ų3149 Ų4912%0.11728%0.279CS..EExtended strand (participates in β ladder)trans-123.399174.2-55.1-94.7000108.7I417 T422 V575 Q581 F585I417-W583 HydrophobicContact CD1-CB 3.88Å; I417-W583 HydrophobicContact CD1-CD2 3.65Å; I417-W583 HydrophobicContact CD1-CE3 4.16Å; I417-W583 HydrophobicContact CD1-CG 3.5Å; I417-W583 HydrophobicContact CG1-CD2 3.96Å; I417-W583 HydrophobicContact CG1-CE3 4.43Å; I417-W583 HydrophobicContact CG1-CG 4.21Å; I417-W583 HydrophobicContact CG1-CZ2 4.3Å; I417-W583 HydrophobicContact CG2-CD2 4.26Å; I417-W583 HydrophobicContact CG2-CE3 3.88Å; I417-W583 HydrophobicContact CG2-CH2 3.96Å; I417-W583 HydrophobicContact CG2-CZ2 4.32Å; I417-W583 HydrophobicContact CG2-CZ3 3.72Å; T422-W583 HydrophobicContact CG2-CZ3 4.21Å; V575-W583 HydrophobicContact CB-CE3 4.18Å; V575-W583 HydrophobicContact CG1-CE3 4.09Å; V575-W583 HydrophobicContact CG1-CZ3 4.46Å; V575-W583 PolarHBondContact N-O 2.8Å; V575-W583 PolarHBondContact O-N 2.86Å; Q581-W583 HydrophobicContact CB-CH2 3.66Å; Q581-W583 HydrophobicContact CB-CZ2 3.9Å; Q581-W583 HydrophobicContact CB-CZ3 4.18Å; W583-F585 HydrophobicContact CB-CD2 4.23Å; W583-F585 HydrophobicContact CB-CE2 3.58Å; W583-F585 HydrophobicContact CB-CZ 4.22Å; W583-F585 VanDerWaalsContact O-CD2 3.31Å; W583-F585 WeakPolarHBondContact O-CD2 3.39Å
584H94.2Very high90.5Very high41 Ų4152.3 Ų52.319%0.1930%0.295CS..EExtended strand (participates in β ladder)trans-71.4125169.8-73.1-99.9000110.2K376 R377 W386 E572 V574K376-H584 VanDerWaalsContact CG-O 3.25Å; K376-H584 WeakPolarHBondContact CG-O 3.29Å; R377-H584 HydrophobicContact CB-CB 3.81Å; R377-H584 PolarHBondContact N-O 3Å; R377-H584 VanDerWaalsContact N-O 3.13Å; R377-H584 PolarHBondContact NH1-ND1 3.14Å; R377-H584 PolarHBondContact NH2-CD2 2.79Å; R377-H584 VanDerWaalsContact NH2-CD2 3.33Å; R377-H584 PolarHBondContact NH2-CE1 2.83Å; R377-H584 PolarHBondContact NH2-ND1 3.17Å; R377-H584 PolarHBondContact NH2-NE2 2.85Å; W386-H584 HydrophobicContact CH2-CB 3.94Å; W386-H584 HydrophobicContact CZ3-CB 4.25Å; E572-H584 IonicContact OE2-CE1 3.37Å; E572-H584 IonicContact OE2-CG 3.91Å; E572-H584 IonicContact OE2-ND1 2.74Å; E572-H584 PolarHBondContact OE2-ND1 2.68Å; V574-H584 WeakPolarHBondContact CG2-ND1 3.25Å
585F95.9Very high90.6Very high0 Ų055.9 Ų55.90%031%0.313CS..EExtended strand (participates in β ladder)trans-125154171.8-66.7-82.5000109.7L374 L375 K376 V391 L399 Y401 I417 E572 F573 V575 W583L374-F585 HydrophobicContact CB-CD1 4.08Å; L374-F585 HydrophobicContact CD1-CB 4.18Å; L374-F585 HydrophobicContact CD1-CD1 3.97Å; L374-F585 HydrophobicContact CD1-CG 4.24Å; L375-F585 CarbonylContact O-C 3.58Å; L375-F585 VanDerWaalsContact O-CA 3.28Å; L375-F585 WeakPolarHBondContact O-CA 3.45Å; K376-F585 HydrophobicContact CB-CD1 3.94Å; K376-F585 HydrophobicContact CB-CE1 4.02Å; K376-F585 HydrophobicContact CD-CE1 3.89Å; K376-F585 HydrophobicContact CD-CZ 4.2Å; K376-F585 HydrophobicContact CG-CD1 3.77Å; K376-F585 HydrophobicContact CG-CE1 3.62Å; K376-F585 HydrophobicContact CG-CG 4.47Å; K376-F585 HydrophobicContact CG-CZ 4.23Å; V391-F585 HydrophobicContact CG2-CD1 4.43Å; V391-F585 HydrophobicContact CG2-CE1 3.99Å; L399-F585 HydrophobicContact CD2-CE2 4.31Å; Y401-F585 HydrophobicContact CD1-CZ 4.25Å; I417-F585 HydrophobicContact CD1-CE2 3.97Å; I417-F585 HydrophobicContact CD1-CZ 3.98Å; E572-F585 CarbonylContact C-O 3.59Å; E572-F585 VanDerWaalsContact CA-O 3.29Å; E572-F585 WeakPolarHBondContact CA-O 3.32Å; F573-F585 HydrophobicContact CD1-CB 4.11Å; F573-F585 HydrophobicContact CD2-CB 4.34Å; F573-F585 HydrophobicContact CE1-CB 3.67Å; F573-F585 HydrophobicContact CE2-CB 3.93Å; F573-F585 AromaticContact CE2-CD2 4Å; F573-F585 HydrophobicContact CE2-CD2 4Å; F573-F585 HydrophobicContact CE2-CG 4.26Å; F573-F585 HydrophobicContact CG-CB 4.44Å; F573-F585 HydrophobicContact CZ-CB 3.59Å; F573-F585 HydrophobicContact CZ-CD2 4.29Å; F573-F585 HydrophobicContact CZ-CG 4.1Å; F573-F585 PolarHBondContact N-O 2.75Å; F573-F585 PolarHBondContact O-N 2.89Å; V575-F585 HydrophobicContact CG2-CD2 4.36Å; V575-F585 HydrophobicContact CG2-CE2 4.31Å; W583-F585 HydrophobicContact CB-CD2 4.23Å; W583-F585 HydrophobicContact CB-CE2 3.58Å; W583-F585 HydrophobicContact CB-CZ 4.22Å; W583-F585 VanDerWaalsContact O-CD2 3.31Å; W583-F585 WeakPolarHBondContact O-CD2 3.39Å
586E94.6Very high90.7Very high46 Ų4655.9 Ų55.922%0.21531%0.313CS..EExtended strand (participates in β ladder)trans-139.5131.2178.1168.9-177.2-140.600107.9L375 W386 F571 E572L375-E586 HydrophobicContact CB-CB 4.01Å; L375-E586 HydrophobicContact CB-CG 4.41Å; L375-E586 HydrophobicContact CD1-CG 4.39Å; L375-E586 VanDerWaalsContact CD1-OE2 3.28Å; L375-E586 WeakPolarHBondContact CD1-OE2 3.46Å; L375-E586 PolarHBondContact N-O 2.66Å; L375-E586 PolarHBondContact O-N 2.71Å; W386-E586 HydrophobicContact CE3-CB 4.12Å; W386-E586 HydrophobicContact CH2-CB 3.87Å; W386-E586 HydrophobicContact CZ2-CB 4.48Å; W386-E586 HydrophobicContact CZ3-CB 3.66Å; F571-E586 HydrophobicContact CB-CG 4.47Å; F571-E586 WeakPolarHBondContact O-CA 3.35Å; E572-E586 HydrophobicContact CG-CB 4.45Å
587A94.6Very high90.9Very high6 Ų654.3 Ų54.35%0.0530%0.303CS..  trans-98.6168.5-177.800000111.8L374 F571 T589 E592 R593L374-A587 HydrophobicContact CD2-CB 3.72Å; F571-A587 WeakPolarHBondContact CB-O 3.28Å; F571-A587 PolarHBondContact O-N 2.65Å; F571-A587 VanDerWaalsContact O-N 3.17Å; A587-T589 VanDerWaalsContact C-N 3.34Å; A587-T589 PolarHBondContact O-N 3.41Å; A587-E592 HydrophobicContact CB-CB 4.04Å; A587-E592 HydrophobicContact CB-CG 4.4Å; A587-R593 HydrophobicContact CB-CB 3.97Å
588S91.1Very high91.3Very high90 Ų9059.5 Ų59.563%0.62933%0.326SS*.SBendtrans-73.9-23.3-177.463.10000114.2E592S588-E592 WeakPolarHBondContact CB-OE2 3.4Å; S588-E592 PolarHBondContact N-OE2 2.71Å; S588-E592 PolarHBondContact OG-OE2 3.42Å
589T92.3Very high92.1Very high57 Ų5754.3 Ų54.335%0.3530%0.301SS..SBendtrans-146164.4176.270.70000111.3A587 E591 E592 R593A587-T589 VanDerWaalsContact C-N 3.34Å; A587-T589 PolarHBondContact O-N 3.41Å; T589-E591 VanDerWaalsContact C-N 3.27Å; T589-E591 PolarHBondContact O-N 3.39Å; T589-E591 PolarHBondContact OG1-N 2.97Å; T589-E592 PolarHBondContact O-N 2.98Å; T589-E592 PolarHBondContact OG1-N 3.3Å; T589-R593 PolarHBondContact O-N 3.22Å
590A89.3Confident92.9Very high25 Ų2551.1 Ų51.121%0.20728%0.281CS..Hα-helixtrans-59.4-35.6171.800000113F571 E594F571-A590 HydrophobicContact CD1-CB 3.85Å; F571-A590 VanDerWaalsContact CD1-N 3.3Å; F571-A590 HydrophobicContact CE1-CB 3.82Å; A590-E594 PolarHBondContact O-N 2.92Å
591E91.6Very high93.5Very high154 Ų15452.9 Ų52.972%0.7227%0.274SS*.Hα-helixtrans-65.6-45.6174.8-59.8-178.6149.400111.3T589 R593 E594 L595T589-E591 VanDerWaalsContact C-N 3.27Å; T589-E591 PolarHBondContact O-N 3.39Å; T589-E591 PolarHBondContact OG1-N 2.97Å; E591-R593 VanDerWaalsContact C-N 3.34Å; E591-R593 PolarHBondContact O-N 2.97Å; E591-E594 PolarHBondContact O-N 3.13Å; E591-L595 WeakPolarHBondContact O-CB 3.37Å; E591-L595 WeakPolarHBondContact O-CG 3.46Å; E591-L595 PolarHBondContact O-N 3.04Å
592E93.7Very high93.8Very high36 Ų3649.9 Ų49.917%0.16827%0.27CS..Hα-helixtrans-65.1-40.2178.5-156.8-151.6164.300111A587 S588 T589 L595 W596A587-E592 HydrophobicContact CB-CB 4.04Å; A587-E592 HydrophobicContact CB-CG 4.4Å; S588-E592 WeakPolarHBondContact CB-OE2 3.4Å; S588-E592 PolarHBondContact N-OE2 2.71Å; S588-E592 PolarHBondContact OG-OE2 3.42Å; T589-E592 PolarHBondContact O-N 2.98Å; T589-E592 PolarHBondContact OG1-N 3.3Å; E592-L595 PolarHBondContact O-N 2.85Å; E592-W596 PolarHBondContact O-N 3.45Å; E592-W596 PolarHBondContact OE1-NE1 2.97Å
593R93.8Very high93.9Very high28 Ų2847 Ų4711%0.10625%0.251CS..Hα-helixtrans-55.4-52.4172-179.1-156.167.4-141.6-7.9110.7F571 E572 F573 A587 T589 E591 L595 W596 V597F571-R593 WeakPolarHBondContact O-CG 3.26Å; E572-R593 WeakPolarHBondContact O-CD 3.43Å; F573-R593 HydrophobicContact CB-CG 4.44Å; F573-R593 HydrophobicContact CD1-CG 4.13Å; A587-R593 HydrophobicContact CB-CB 3.97Å; T589-R593 PolarHBondContact O-N 3.22Å; E591-R593 VanDerWaalsContact C-N 3.34Å; E591-R593 PolarHBondContact O-N 2.97Å; R593-L595 VanDerWaalsContact C-N 3.34Å; R593-L595 PolarHBondContact O-N 3.09Å; R593-W596 PolarHBondContact O-N 2.89Å; R593-V597 HydrophobicContact CG-CG2 4.38Å; R593-V597 VanDerWaalsContact O-CG2 3.31Å; R593-V597 WeakPolarHBondContact O-CG2 3.4Å; R593-V597 PolarHBondContact O-N 2.97Å
594E93.3Very high93.8Very high71 Ų7146.3 Ų46.333%0.33225%0.25SC..Hα-helixtrans-64.7-39.4-176.6-14873-161.100111.4K429 A590 E591 W596 V597 Q598K429-E594 IonicContact NZ-OE1 3.61Å; K429-E594 PolarHBondContact NZ-OE1 2.73Å; K429-E594 IonicContact NZ-OE2 3.82Å; K429-E594 PolarHBondContact NZ-OE2 3.09Å; A590-E594 PolarHBondContact O-N 2.92Å; E591-E594 PolarHBondContact O-N 3.13Å; E594-W596 PolarHBondContact O-N 2.67Å; E594-V597 PolarHBondContact O-N 3.25Å; E594-Q598 VanDerWaalsContact O-CB 3.25Å; E594-Q598 WeakPolarHBondContact O-CB 3.23Å; E594-Q598 PolarHBondContact O-N 3.06Å
595L95.4Very high93.6Very high87 Ų8749.2 Ų49.246%0.45527%0.266SS..Hα-helixtrans-63.9-37.1173.4-71.4170.1000112.9E591 E592 R593 S599E591-L595 WeakPolarHBondContact O-CB 3.37Å; E591-L595 WeakPolarHBondContact O-CG 3.46Å; E591-L595 PolarHBondContact O-N 3.04Å; E592-L595 PolarHBondContact O-N 2.85Å; R593-L595 VanDerWaalsContact C-N 3.34Å; R593-L595 PolarHBondContact O-N 3.09Å; L595-S599 WeakPolarHBondContact O-CB 3.41Å; L595-S599 PolarHBondContact O-N 3.16Å; L595-S599 VanDerWaalsContact O-N 3.1Å; L595-S599 PolarHBondContact O-OG 2.95Å
596W96.7Very high93.1Very high0 Ų051.2 Ų51.20%028%0.283CS..Hα-helixtrans-67.9-46.6173.5-87.4109.2000111.8K370 L374 V391 L393 L399 F573 E592 R593 E594 S599 V600K370-W596 HydrophobicContact CB-CH2 4.4Å; K370-W596 HydrophobicContact CB-CZ3 4.17Å; K370-W596 HydrophobicContact CD-CD2 3.71Å; K370-W596 HydrophobicContact CD-CE3 3.75Å; K370-W596 HydrophobicContact CD-CG 4.15Å; K370-W596 HydrophobicContact CD-CH2 4.47Å; K370-W596 HydrophobicContact CD-CZ2 4.44Å; K370-W596 HydrophobicContact CD-CZ3 4.14Å; K370-W596 VanDerWaalsContact CE-CE2 3.48Å; K370-W596 HydrophobicContact CG-CD2 4.24Å; K370-W596 HydrophobicContact CG-CE3 4.1Å; K370-W596 HydrophobicContact CG-CH2 3.96Å; K370-W596 HydrophobicContact CG-CZ2 4.09Å; K370-W596 HydrophobicContact CG-CZ3 3.96Å; L374-W596 HydrophobicContact CD1-CD2 3.93Å; L374-W596 HydrophobicContact CD1-CE3 4.33Å; L374-W596 HydrophobicContact CD1-CG 4.27Å; L374-W596 HydrophobicContact CD1-CZ2 4.2Å; L374-W596 HydrophobicContact CD2-CG 4.35Å; L374-W596 HydrophobicContact CG-CZ2 4.32Å; V391-W596 HydrophobicContact CB-CH2 4.04Å; V391-W596 HydrophobicContact CB-CZ2 4.48Å; V391-W596 HydrophobicContact CG1-CH2 3.97Å; V391-W596 HydrophobicContact CG1-CZ3 4.08Å; V391-W596 WeakPolarHBondContact O-CH2 3.33Å; L393-W596 HydrophobicContact CB-CZ3 4.31Å; L399-W596 HydrophobicContact CD1-CZ3 4.12Å; F573-W596 HydrophobicContact CE1-CB 3.85Å; F573-W596 HydrophobicContact CE1-CG 4.36Å; F573-W596 HydrophobicContact CZ-CB 3.85Å; F573-W596 HydrophobicContact CZ-CG 4.32Å; E592-W596 PolarHBondContact O-N 3.45Å; E592-W596 PolarHBondContact OE1-NE1 2.97Å; R593-W596 PolarHBondContact O-N 2.89Å; E594-W596 PolarHBondContact O-N 2.67Å; W596-S599 PolarHBondContact O-N 3.33Å; W596-V600 WeakPolarHBondContact O-CB 3.48Å; W596-V600 WeakPolarHBondContact O-CG2 3.27Å; W596-V600 PolarHBondContact O-N 3.05Å
597V95.6Very high92.6Very high4 Ų449.8 Ų49.82%0.02428%0.278CS..Hα-helixtrans-60.3-47.6177.2170.80000110.8V424 V426 F573 R593 E594 S599 V600 Q601V424-V597 HydrophobicContact CG1-CG1 4.21Å; V424-V597 HydrophobicContact CG2-CG2 4.27Å; V426-V597 HydrophobicContact CG2-CG1 4.08Å; V426-V597 HydrophobicContact CG2-CG2 3.76Å; F573-V597 HydrophobicContact CB-CG2 3.62Å; F573-V597 HydrophobicContact CD1-CG2 4.34Å; F573-V597 HydrophobicContact CD2-CG2 4.24Å; F573-V597 HydrophobicContact CG-CG2 3.84Å; R593-V597 HydrophobicContact CG-CG2 4.38Å; R593-V597 VanDerWaalsContact O-CG2 3.31Å; R593-V597 WeakPolarHBondContact O-CG2 3.4Å; R593-V597 PolarHBondContact O-N 2.97Å; E594-V597 PolarHBondContact O-N 3.25Å; V597-S599 PolarHBondContact O-N 2.85Å; V597-V600 PolarHBondContact O-N 2.99Å; V597-Q601 HydrophobicContact CG1-CG 4.38Å; V597-Q601 WeakPolarHBondContact O-CB 3.36Å; V597-Q601 VanDerWaalsContact O-CG 3.29Å; V597-Q601 WeakPolarHBondContact O-CG 3.48Å; V597-Q601 PolarHBondContact O-N 2.85Å
598Q95.4Very high91.9Very high123 Ų12353.6 Ų53.658%0.57530%0.297SS*.Hα-helixtrans-59.9-43.5177.4-173.9-177.42900111.8E594 Q601 A602E594-Q598 VanDerWaalsContact O-CB 3.25Å; E594-Q598 WeakPolarHBondContact O-CB 3.23Å; E594-Q598 PolarHBondContact O-N 3.06Å; Q598-Q601 PolarHBondContact O-N 3.06Å; Q598-A602 VanDerWaalsContact O-CB 3.31Å; Q598-A602 WeakPolarHBondContact O-CB 3.49Å; Q598-A602 PolarHBondContact O-N 2.77Å
599S95.6Very high91.2Very high26 Ų2655.6 Ų55.618%0.18230%0.296CS..Hα-helixtrans-67.8-41.9179.6-55.40000111.9K370 L393 L595 W596 V597 A602 Q603K370-S599 WeakPolarHBondContact CD-OG 3.27Å; L393-S599 WeakPolarHBondContact CD2-O 3.18Å; L595-S599 WeakPolarHBondContact O-CB 3.41Å; L595-S599 PolarHBondContact O-N 3.16Å; L595-S599 VanDerWaalsContact O-N 3.1Å; L595-S599 PolarHBondContact O-OG 2.95Å; W596-S599 PolarHBondContact O-N 3.33Å; V597-S599 PolarHBondContact O-N 2.85Å; S599-A602 PolarHBondContact O-N 2.88Å; S599-Q603 PolarHBondContact O-N 3.35Å
600V95.1Very high89.9Confident0 Ų054.7 Ų54.70%030%0.298CS..Hα-helixtrans-66.2-41.4175.8170.40000110.9L393 L399 L419 V424 V575 W596 V597 Q603 I604L393-V600 HydrophobicContact CD2-CG2 4.44Å; L399-V600 HydrophobicContact CD1-CG2 4.38Å; L399-V600 HydrophobicContact CD2-CG2 4.16Å; L419-V600 HydrophobicContact CD1-CG1 4.33Å; L419-V600 HydrophobicContact CD2-CG1 4.05Å; V424-V600 HydrophobicContact CB-CG1 4.13Å; V424-V600 HydrophobicContact CG1-CG1 4.1Å; V575-V600 HydrophobicContact CG2-CG1 4.49Å; W596-V600 WeakPolarHBondContact O-CB 3.48Å; W596-V600 WeakPolarHBondContact O-CG2 3.27Å; W596-V600 PolarHBondContact O-N 3.05Å; V597-V600 PolarHBondContact O-N 2.99Å; V600-Q603 PolarHBondContact O-N 3.5Å; V600-I604 HydrophobicContact CG1-CD1 3.76Å; V600-I604 HydrophobicContact CG1-CG1 4.39Å; V600-I604 WeakPolarHBondContact O-CB 3.28Å; V600-I604 WeakPolarHBondContact O-CD1 3.43Å; V600-I604 WeakPolarHBondContact O-CG1 3.02Å; V600-I604 PolarHBondContact O-N 3.15Å
601Q94.3Very high88.3Confident94 Ų9456.9 Ų56.944%0.43931%0.311SS..Hα-helixtrans-61.6-46173.4-75176.5-20.700112V424 V597 Q598 Q603 I604 L605V424-Q601 HydrophobicContact CG1-CG 3.42Å; V424-Q601 VanDerWaalsContact CG1-CG 3.42Å; V597-Q601 HydrophobicContact CG1-CG 4.38Å; V597-Q601 WeakPolarHBondContact O-CB 3.36Å; V597-Q601 VanDerWaalsContact O-CG 3.29Å; V597-Q601 WeakPolarHBondContact O-CG 3.48Å; V597-Q601 PolarHBondContact O-N 2.85Å; Q598-Q601 PolarHBondContact O-N 3.06Å; Q601-Q603 VanDerWaalsContact C-N 3.32Å; Q601-Q603 PolarHBondContact O-N 3.45Å; Q601-I604 PolarHBondContact O-N 3.18Å; Q601-L605 WeakPolarHBondContact O-CB 3.32Å; Q601-L605 VanDerWaalsContact O-CG 3.3Å; Q601-L605 WeakPolarHBondContact O-CG 3.49Å; Q601-L605 PolarHBondContact O-N 2.94Å
602A92.8Very high86.2Confident55 Ų5556.6 Ų56.646%0.45530%0.304SS..Hα-helixtrans-59.4-42.6176.500000111.7Q598 S599 L605 A606Q598-A602 VanDerWaalsContact O-CB 3.31Å; Q598-A602 WeakPolarHBondContact O-CB 3.49Å; Q598-A602 PolarHBondContact O-N 2.77Å; S599-A602 PolarHBondContact O-N 2.88Å; A602-L605 PolarHBondContact O-N 3.09Å; A602-A606 WeakPolarHBondContact O-CB 3.16Å; A602-A606 PolarHBondContact O-N 3.1Å
603Q93.4Very high83.7Confident14 Ų1458.1 Ų58.17%0.06532%0.318CS..Hα-helixtrans-73.4-33.8178.6-171.557.234.700113.3L393 D395 L419 S599 V600 Q601 A606 S607L393-Q603 HydrophobicContact CD1-CB 3.89Å; L393-Q603 HydrophobicContact CD1-CG 3.89Å; L393-Q603 HydrophobicContact CD2-CB 4.27Å; L393-Q603 HydrophobicContact CG-CB 4.39Å; D395-Q603 PolarHBondContact O-NE2 3.48Å; L419-Q603 HydrophobicContact CD1-CB 4.02Å; L419-Q603 HydrophobicContact CD1-CG 3.91Å; S599-Q603 PolarHBondContact O-N 3.35Å; V600-Q603 PolarHBondContact O-N 3.5Å; Q601-Q603 VanDerWaalsContact C-N 3.32Å; Q601-Q603 PolarHBondContact O-N 3.45Å; Q603-A606 PolarHBondContact O-N 3.29Å; Q603-S607 PolarHBondContact NE2-OG 2.93Å; Q603-S607 VanDerWaalsContact O-CB 3.31Å; Q603-S607 WeakPolarHBondContact O-CB 3.27Å; Q603-S607 PolarHBondContact O-N 3.28Å; Q603-S607 PolarHBondContact O-OG 2.6Å
604I91.1Very high81.3Confident16 Ų1660.6 Ų60.68%0.08234%0.344CS..Hα-helixtrans-59.7-48.7169.9-70.2162.2000109.4L419 V424 V600 Q601 S607 L608L419-I604 HydrophobicContact CB-CG1 3.86Å; L419-I604 HydrophobicContact CD1-CG1 4.45Å; L419-I604 HydrophobicContact CD2-CG1 4.42Å; L419-I604 HydrophobicContact CG-CG1 4.49Å; V424-I604 HydrophobicContact CG1-CD1 4.46Å; V600-I604 HydrophobicContact CG1-CD1 3.76Å; V600-I604 HydrophobicContact CG1-CG1 4.39Å; V600-I604 WeakPolarHBondContact O-CB 3.28Å; V600-I604 WeakPolarHBondContact O-CD1 3.43Å; V600-I604 WeakPolarHBondContact O-CG1 3.02Å; V600-I604 PolarHBondContact O-N 3.15Å; Q601-I604 PolarHBondContact O-N 3.18Å; I604-S607 PolarHBondContact O-N 3.26Å; I604-L608 HydrophobicContact CG2-CD1 3.82Å; I604-L608 HydrophobicContact CG2-CG 4.49Å; I604-L608 WeakPolarHBondContact O-CB 2.58Å; I604-L608 VanDerWaalsContact O-CG 3.29Å; I604-L608 WeakPolarHBondContact O-CG 2.87Å; I604-L608 PolarHBondContact O-N 2.79Å
605L89.7Confident79Confident101 Ų10163.6 Ų63.653%0.52936%0.356SS..Hα-helixtrans-61.8-45.2177.9-70.3168.1000112.1Q601 A602 S607 L608 Q609Q601-L605 WeakPolarHBondContact O-CB 3.32Å; Q601-L605 VanDerWaalsContact O-CG 3.3Å; Q601-L605 WeakPolarHBondContact O-CG 3.49Å; Q601-L605 PolarHBondContact O-N 2.94Å; A602-L605 PolarHBondContact O-N 3.09Å; L605-S607 VanDerWaalsContact C-N 3.34Å; L605-S607 PolarHBondContact O-N 3.36Å; L605-L608 PolarHBondContact O-N 3.16Å; L605-Q609 WeakPolarHBondContact O-CB 3.45Å; L605-Q609 VanDerWaalsContact O-CG 3.28Å; L605-Q609 WeakPolarHBondContact O-CG 3.36Å; L605-Q609 PolarHBondContact O-N 3.41Å
606A86Confident76.5Confident43 Ų4361.4 Ų61.436%0.35535%0.345SS..Hα-helixtrans-62.2-39.2176.300000112.3A602 Q603 Q609 G610A602-A606 WeakPolarHBondContact O-CB 3.16Å; A602-A606 PolarHBondContact O-N 3.1Å; Q603-A606 PolarHBondContact O-N 3.29Å; A606-Q609 PolarHBondContact O-N 3.01Å; A606-G610 PolarHBondContact O-N 3.16Å
607S82.9Confident73.8Confident16 Ų1670.7 Ų70.711%0.11239%0.386CS..Hα-helixtrans-67-43.1176.9-53.60000111.4G397 Q603 I604 L605 Q609 G610 C611G397-S607 WeakPolarHBondContact CA-OG 3.5Å; Q603-S607 PolarHBondContact NE2-OG 2.93Å; Q603-S607 VanDerWaalsContact O-CB 3.31Å; Q603-S607 WeakPolarHBondContact O-CB 3.27Å; Q603-S607 PolarHBondContact O-N 3.28Å; Q603-S607 PolarHBondContact O-OG 2.6Å; I604-S607 PolarHBondContact O-N 3.26Å; L605-S607 VanDerWaalsContact C-N 3.34Å; L605-S607 PolarHBondContact O-N 3.36Å; S607-Q609 VanDerWaalsContact C-N 3.32Å; S607-Q609 PolarHBondContact O-N 3.44Å; S607-G610 PolarHBondContact O-N 3.02Å; S607-C611 PolarHBondContact O-N 3.42Å
608L80.6Confident71.3Confident86 Ų8676.1 Ų76.145%0.4542%0.419SS..Hα-helixtrans-64.1-35175.2-70.4166.8000112.5L420 I604 L605L420-L608 HydrophobicContact CD1-CD2 3.96Å; L420-L608 HydrophobicContact CD1-CG 4.38Å; I604-L608 HydrophobicContact CG2-CD1 3.82Å; I604-L608 HydrophobicContact CG2-CG 4.49Å; I604-L608 WeakPolarHBondContact O-CB 2.58Å; I604-L608 VanDerWaalsContact O-CG 3.29Å; I604-L608 WeakPolarHBondContact O-CG 2.87Å; I604-L608 PolarHBondContact O-N 2.79Å; L605-L608 PolarHBondContact O-N 3.16Å
609Q76.8Confident68.8Low132 Ų13276.5 Ų76.562%0.61742%0.415SS*.Hα-helixtrans-72.2-41.9173.1-71.8170.3-4.200111.8L605 A606 S607 C611 R612 S613L605-Q609 WeakPolarHBondContact O-CB 3.45Å; L605-Q609 VanDerWaalsContact O-CG 3.28Å; L605-Q609 WeakPolarHBondContact O-CG 3.36Å; L605-Q609 PolarHBondContact O-N 3.41Å; A606-Q609 PolarHBondContact O-N 3.01Å; S607-Q609 VanDerWaalsContact C-N 3.32Å; S607-Q609 PolarHBondContact O-N 3.44Å; Q609-C611 VanDerWaalsContact C-N 3.32Å; Q609-C611 PolarHBondContact O-N 2.89Å; Q609-R612 WeakPolarHBondContact O-CB 3.14Å; Q609-R612 PolarHBondContact O-N 3.44Å; Q609-R612 VanDerWaalsContact O-N 3.1Å; Q609-S613 PolarHBondContact O-N 3.02Å
610G65Low66.2Low38 Ų3884.2 Ų84.239%0.39245%0.453SS..Hα-helixtrans-60.4-38.1176.600000113.2A606 S607 R612 S613 A614A606-G610 PolarHBondContact O-N 3.16Å; S607-G610 PolarHBondContact O-N 3.02Å; G610-R612 VanDerWaalsContact C-N 3.29Å; G610-R612 PolarHBondContact O-N 3.29Å; G610-S613 CarbonylContact O-C 3.39Å; G610-S613 WeakPolarHBondContact O-CA 3.35Å; G610-S613 PolarHBondContact O-N 2.75Å; G610-S613 VanDerWaalsContact O-N 3.08Å; G610-A614 PolarHBondContact O-N 3.42Å
611C56.5Low63.8Low71 Ų7186.3 Ų86.348%0.4848%0.475SS..Hα-helixtrans-68.7-22.6175.2-74.40000114.2L420 S607 Q609L420-C611 HydrophobicContact CD1-CB 4.18Å; L420-C611 VanDerWaalsContact CD1-SG 3.51Å; L420-C611 WeakPolarHBondContact CD2-SG 3.36Å; S607-C611 PolarHBondContact O-N 3.42Å; Q609-C611 VanDerWaalsContact C-N 3.32Å; Q609-C611 PolarHBondContact O-N 2.89Å
612R46.4Very low61.9Low148 Ų14884.5 Ų84.556%0.55847%0.468SS*.Hα-helixtrans-73-49164.1-63.8-175.5176.9-134.6-3109.6Q609 G610 A614 K615 D616Q609-R612 WeakPolarHBondContact O-CB 3.14Å; Q609-R612 PolarHBondContact O-N 3.44Å; Q609-R612 VanDerWaalsContact O-N 3.1Å; G610-R612 VanDerWaalsContact C-N 3.29Å; G610-R612 PolarHBondContact O-N 3.29Å; R612-A614 PolarHBondContact O-N 3.47Å; R612-A614 VanDerWaalsContact O-N 3.13Å; R612-K615 PolarHBondContact O-N 3.3Å; R612-K615 VanDerWaalsContact O-N 3.12Å; R612-D616 VanDerWaalsContact O-CG 3.26Å
613S40.7Very low60Low67 Ų6789.7 Ų89.747%0.46948%0.483SS..Hα-helixtrans-60.2-25.4-177.7-166.20000115.2Q609 G610 K615 D616Q609-S613 PolarHBondContact O-N 3.02Å; G610-S613 CarbonylContact O-C 3.39Å; G610-S613 WeakPolarHBondContact O-CA 3.35Å; G610-S613 PolarHBondContact O-N 2.75Å; G610-S613 VanDerWaalsContact O-N 3.08Å; S613-K615 VanDerWaalsContact C-N 3.33Å; S613-K615 PolarHBondContact O-N 2.74Å; S613-D616 WeakPolarHBondContact CA-OD2 3.36Å; S613-D616 WeakPolarHBondContact O-CB 3.05Å; S613-D616 PolarHBondContact O-N 2.85Å
614A43.2Very low58.7Low80 Ų8094.9 Ų94.966%0.66151%0.511SS*.THydrogen-bonded Turntrans-64.4-33.3176.200000113.6G610 R612 D616G610-A614 PolarHBondContact O-N 3.42Å; R612-A614 PolarHBondContact O-N 3.47Å; R612-A614 VanDerWaalsContact O-N 3.13Å; A614-D616 VanDerWaalsContact C-N 3.33Å
615K45.9Very low57.6Low134 Ų13495.5 Ų95.558%0.58352%0.519SS*.THydrogen-bonded Turntrans-76.5-23169.5-75.6-176.1170.3-177.20112.4R612 S613 K617 T618 D685R612-K615 PolarHBondContact O-N 3.3Å; R612-K615 VanDerWaalsContact O-N 3.12Å; S613-K615 VanDerWaalsContact C-N 3.33Å; S613-K615 PolarHBondContact O-N 2.74Å; K615-K617 VanDerWaalsContact C-N 3.28Å; K615-K617 PolarHBondContact O-N 3.12Å; K615-T618 PolarHBondContact O-OG1 3.19Å; K615-D685 IonicContact NZ-OD2 2.66Å; K615-D685 PolarHBondContact NZ-OD2 3.25Å
616D43.1Very low56.7Low41 Ų4193.7 Ų93.722%0.21952%0.519CS..G310 helixtrans-79.22.7-166.4-65.7-26.1000115.3R612 S613 A614 T618 R619R612-D616 VanDerWaalsContact O-CG 3.26Å; S613-D616 WeakPolarHBondContact CA-OD2 3.36Å; S613-D616 WeakPolarHBondContact O-CB 3.05Å; S613-D616 PolarHBondContact O-N 2.85Å; A614-D616 VanDerWaalsContact C-N 3.33Å; D616-T618 PolarHBondContact O-N 3.44Å; D616-T618 VanDerWaalsContact O-N 3.14Å; D616-R619 HydrophobicContact CB-CG 3.73Å; D616-R619 VanDerWaalsContact CG-CZ 3.47Å; D616-R619 VanDerWaalsContact CG-NH2 3.28Å; D616-R619 WeakPolarHBondContact O-CB 3.38Å; D616-R619 VanDerWaalsContact O-CG 3.23Å; D616-R619 WeakPolarHBondContact O-CG 3.27Å; D616-R619 PolarHBondContact O-N 3.26Å; D616-R619 IonicContact OD1-CZ 2.69Å; D616-R619 IonicContact OD1-NE 2.72Å; D616-R619 PolarHBondContact OD1-NE 3.04Å; D616-R619 IonicContact OD1-NH2 3.8Å; D616-R619 PolarHBondContact OD1-NH2 3.18Å; D616-R619 IonicContact OD2-CZ 3.19Å; D616-R619 IonicContact OD2-NE 3.2Å; D616-R619 PolarHBondContact OD2-NE 3.34Å; D616-R619 IonicContact OD2-NH2 2.88Å; D616-R619 PolarHBondContact OD2-NH2 3.25Å
617K40.1Very low56.4Low196 Ų19697.3 Ų97.385%0.85253%0.531SS*.G310 helixtrans-72.9-1.3179-76.5-173.1173.8179.90114.9K615K615-K617 VanDerWaalsContact C-N 3.28Å; K615-K617 PolarHBondContact O-N 3.12Å
618T42.3Very low56.3Low117 Ų11797.9 Ų97.972%0.71854%0.537SS*.G310 helixtrans-98.12.3167.948.90000113.9K615 D616 L620K615-T618 PolarHBondContact O-OG1 3.19Å; D616-T618 PolarHBondContact O-N 3.44Å; D616-T618 VanDerWaalsContact O-N 3.14Å; T618-L620 PolarHBondContact O-N 3.22Å
619R44.3Very low56.6Low131 Ų13194.8 Ų94.849%0.49452%0.521SS..G310 helixtrans-62.87.9-165.7-84.4-149.3-178.1-1637.6119.5D616 G621 N622D616-R619 HydrophobicContact CB-CG 3.73Å; D616-R619 VanDerWaalsContact CG-CZ 3.47Å; D616-R619 VanDerWaalsContact CG-NH2 3.28Å; D616-R619 WeakPolarHBondContact O-CB 3.38Å; D616-R619 VanDerWaalsContact O-CG 3.23Å; D616-R619 WeakPolarHBondContact O-CG 3.27Å; D616-R619 PolarHBondContact O-N 3.26Å; D616-R619 IonicContact OD1-CZ 2.69Å; D616-R619 IonicContact OD1-NE 2.72Å; D616-R619 PolarHBondContact OD1-NE 3.04Å; D616-R619 IonicContact OD1-NH2 3.8Å; D616-R619 PolarHBondContact OD1-NH2 3.18Å; D616-R619 IonicContact OD2-CZ 3.19Å; D616-R619 IonicContact OD2-NE 3.2Å; D616-R619 PolarHBondContact OD2-NE 3.34Å; D616-R619 IonicContact OD2-NH2 2.88Å; D616-R619 PolarHBondContact OD2-NH2 3.25Å; R619-G621 PolarHBondContact O-N 3.14Å; R619-G621 VanDerWaalsContact O-N 3.11Å; R619-N622 WeakPolarHBondContact CA-OD1 3.46Å; R619-N622 HydrophobicContact CB-CB 4.09Å; R619-N622 HydrophobicContact CG-CB 3.91Å; R619-N622 VanDerWaalsContact CG-CG 3.45Å; R619-N622 WeakPolarHBondContact CG-OD1 3.29Å; R619-N622 PolarHBondContact O-N 3.26Å
620L40.5Very low57.1Low188 Ų18893.6 Ų93.698%0.98452%0.516SS*.G310 helixtrans-61.4-17.9173.8-87.5154.3000113.4T618T618-L620 PolarHBondContact O-N 3.22Å
621G44.5Very low58.3Low44 Ų4493.5 Ų93.545%0.45451%0.512SS..G310 helixtrans-90.7-5.6170.300000116.6R619 Q623 N624R619-G621 PolarHBondContact O-N 3.14Å; R619-G621 VanDerWaalsContact O-N 3.11Å; G621-Q623 PolarHBondContact O-N 2.83Å; G621-N624 PolarHBondContact O-N 1.8Å
622N53.5Low60.2Low57 Ų5790.1 Ų90.131%0.30549%0.489SS..Hα-helixtrans-77.4-9.4-159.9-88.864000117.2R619 N624 A626R619-N622 WeakPolarHBondContact CA-OD1 3.46Å; R619-N622 HydrophobicContact CB-CB 4.09Å; R619-N622 HydrophobicContact CG-CB 3.91Å; R619-N622 VanDerWaalsContact CG-CG 3.45Å; R619-N622 WeakPolarHBondContact CG-OD1 3.29Å; R619-N622 PolarHBondContact O-N 3.26Å; N622-N624 VanDerWaalsContact C-N 3.35Å; N622-A626 PolarHBondContact O-N 3.31Å
623Q54.8Low62.5Low163 Ų16385.8 Ų85.876%0.76247%0.472SS*.Hα-helixtrans-66.6-42.3169.3-62.8-172.334.300110.2G621 A626 L627G621-Q623 PolarHBondContact O-N 2.83Å; Q623-A626 PolarHBondContact O-N 3.46Å; Q623-L627 VanDerWaalsContact O-CG 3.32Å; Q623-L627 WeakPolarHBondContact O-CG 3.32Å; Q623-L627 PolarHBondContact O-N 3.36Å
624N65.9Low65Low123 Ų12387.6 Ų87.666%0.65848%0.481SS*.Hα-helixtrans-65.7-41.4179.4-62.84.2000111.4G621 N622 A626 L627 A628G621-N624 PolarHBondContact O-N 1.8Å; N622-N624 VanDerWaalsContact C-N 3.35Å; N624-A626 PolarHBondContact O-N 2.89Å; N624-L627 PolarHBondContact O-N 3.28Å; N624-A628 WeakPolarHBondContact O-CB 3.34Å; N624-A628 PolarHBondContact O-N 2.92Å
625A66.3Low67.5Low29 Ų2985 Ų8524%0.2446%0.457CS..Hα-helixtrans-61.8-43.6176.800000112.4A628 V629A625-A628 PolarHBondContact O-N 3.35Å; A625-V629 WeakPolarHBondContact O-CG2 3.12Å; A625-V629 PolarHBondContact O-N 2.8Å
626A71.9Confident70Confident64 Ų6488.5 Ų88.553%0.52947%0.466SS..Hα-helixtrans-65.9-39.7176.900000112.3N622 Q623 N624 Q630N622-A626 PolarHBondContact O-N 3.31Å; Q623-A626 PolarHBondContact O-N 3.46Å; N624-A626 PolarHBondContact O-N 2.89Å; A626-Q630 PolarHBondContact O-N 2.87Å
627L79.5Confident72.5Confident119 Ų11988.1 Ų88.162%0.62347%0.472SS*.Hα-helixtrans-66.1-37.1174.5-70.4169.2000112.2Q623 N624 Q630 A631Q623-L627 VanDerWaalsContact O-CG 3.32Å; Q623-L627 WeakPolarHBondContact O-CG 3.32Å; Q623-L627 PolarHBondContact O-N 3.36Å; N624-L627 PolarHBondContact O-N 3.28Å; L627-Q630 PolarHBondContact O-N 2.87Å; L627-A631 PolarHBondContact O-N 2.93Å
628A80.8Confident75.2Confident28 Ų2878.9 Ų78.923%0.23143%0.432CS..Hα-helixtrans-69.6-41.9176.400000112.5N624 A625 Q630 A631 V632 L691N624-A628 WeakPolarHBondContact O-CB 3.34Å; N624-A628 PolarHBondContact O-N 2.92Å; A625-A628 PolarHBondContact O-N 3.35Å; A628-Q630 VanDerWaalsContact C-N 3.26Å; A628-Q630 PolarHBondContact O-N 3.47Å; A628-A631 WeakPolarHBondContact O-CB 3.49Å; A628-A631 PolarHBondContact O-N 2.9Å; A628-A631 VanDerWaalsContact O-N 3.1Å; A628-V632 WeakPolarHBondContact O-CG2 3.31Å; A628-V632 PolarHBondContact O-N 3.11Å; A628-L691 HydrophobicContact CB-CB 4.47Å; A628-L691 HydrophobicContact CB-CD1 3.78Å; A628-L691 HydrophobicContact CB-CD2 4.09Å; A628-L691 HydrophobicContact CB-CG 4.33Å
629V87.5Confident77.8Confident20 Ų2075.9 Ų75.912%0.12142%0.416CS..Hα-helixtrans-59.7-38.9170.9169.90000110.9A625 V632 R633 L681 W686 L691A625-V629 WeakPolarHBondContact O-CG2 3.12Å; A625-V629 PolarHBondContact O-N 2.8Å; V629-V632 PolarHBondContact O-N 2.88Å; V629-R633 PolarHBondContact O-N 2.83Å; V629-L681 HydrophobicContact CG1-CB 4.01Å; V629-L681 HydrophobicContact CG1-CD2 4.31Å; V629-W686 HydrophobicContact CG2-CB 4.09Å; V629-W686 HydrophobicContact CG2-CG 4.03Å; V629-L691 HydrophobicContact CG2-CD2 3.83Å
630Q86.9Confident80.4Confident108 Ų10874.8 Ų74.851%0.50542%0.415SS..Hα-helixtrans-67.7-36.6173.8-174.558.829.800112.4A626 L627 A628 R633 T634A626-Q630 PolarHBondContact O-N 2.87Å; L627-Q630 PolarHBondContact O-N 2.87Å; A628-Q630 VanDerWaalsContact C-N 3.26Å; A628-Q630 PolarHBondContact O-N 3.47Å; Q630-R633 WeakPolarHBondContact O-CB 3.47Å; Q630-R633 PolarHBondContact O-N 3.45Å; Q630-T634 PolarHBondContact O-N 3.12Å
631A90.5Very high83.1Confident36 Ų3665.8 Ų65.830%0.29837%0.368SS..Hα-helixtrans-62.2-42.8174.400000111.6L627 A628 R633 T634 V635L627-A631 PolarHBondContact O-N 2.93Å; A628-A631 WeakPolarHBondContact O-CB 3.49Å; A628-A631 PolarHBondContact O-N 2.9Å; A628-A631 VanDerWaalsContact O-N 3.1Å; A631-R633 VanDerWaalsContact C-N 3.27Å; A631-R633 PolarHBondContact O-N 2.8Å; A631-T634 WeakPolarHBondContact O-CA 3.42Å; A631-T634 PolarHBondContact O-N 3.25Å; A631-T634 PolarHBondContact O-OG1 3.12Å; A631-V635 PolarHBondContact O-N 2.82Å
632V95Very high85.7Confident0 Ų063.8 Ų63.80%035%0.347CS..Hα-helixtrans-54.4-41.1173.31700000111.6A628 V629 T634 V635 N638 L659 L681 L691 M694A628-V632 WeakPolarHBondContact O-CG2 3.31Å; A628-V632 PolarHBondContact O-N 3.11Å; V629-V632 PolarHBondContact O-N 2.88Å; V632-T634 PolarHBondContact O-N 3.1Å; V632-V635 WeakPolarHBondContact O-CG2 3.11Å; V632-V635 PolarHBondContact O-N 3.13Å; V632-N638 PolarHBondContact O-ND2 3.06Å; V632-L659 HydrophobicContact CG1-CD1 4.37Å; V632-L659 HydrophobicContact CG1-CD2 4.11Å; V632-L681 HydrophobicContact CG1-CD2 4.05Å; V632-L691 HydrophobicContact CG2-CD2 4.14Å; V632-M694 HydrophobicContact CB-CB 4.45Å; V632-M694 HydrophobicContact CG1-CB 3.84Å; V632-M694 HydrophobicContact CG1-CE 4.19Å; V632-M694 HydrophobicContact CG2-CB 3.69Å
633R94.9Very high87.8Confident56 Ų5661.1 Ų61.121%0.21133%0.332CS..Hα-helixtrans-65.1-18.8175.9-64.9-178.6-178.7-88.311.3113.9V629 Q630 A631 P649 L681 D682V629-R633 PolarHBondContact O-N 2.83Å; Q630-R633 WeakPolarHBondContact O-CB 3.47Å; Q630-R633 PolarHBondContact O-N 3.45Å; A631-R633 VanDerWaalsContact C-N 3.27Å; A631-R633 PolarHBondContact O-N 2.8Å; R633-P649 PolarHBondContact NH1-O 3.15Å; R633-L681 HydrophobicContact CG-CD1 3.69Å; R633-D682 IonicContact CZ-OD1 2.72Å; R633-D682 IonicContact CZ-OD2 3.55Å; R633-D682 IonicContact NH2-OD1 2.82Å; R633-D682 PolarHBondContact NH2-OD1 2.82Å; R633-D682 IonicContact NH2-OD2 3.46Å; R633-D682 PolarHBondContact NH2-OD2 3.07Å
634T93.9Very high89.9Confident106 Ų10653.4 Ų53.465%0.6530%0.296SS*.Hα-helixtrans-99.5-3.4-17961.60000115.1Q630 A631 V632Q630-T634 PolarHBondContact O-N 3.12Å; A631-T634 WeakPolarHBondContact O-CA 3.42Å; A631-T634 PolarHBondContact O-N 3.25Å; A631-T634 PolarHBondContact O-OG1 3.12Å; V632-T634 PolarHBondContact O-N 3.1Å
635V95.6Very high91.4Very high26 Ų2651 Ų5116%0.15828%0.283CS..SBendtrans-62.7151.8176.2-171.50000110.4A631 V632 G637 N638A631-V635 PolarHBondContact O-N 2.82Å; V632-V635 WeakPolarHBondContact O-CG2 3.11Å; V632-V635 PolarHBondContact O-N 3.13Å; V635-G637 PolarHBondContact O-N 2.98Å; V635-G637 VanDerWaalsContact O-N 3.14Å; V635-N638 WeakPolarHBondContact O-CB 3.37Å; V635-N638 PolarHBondContact O-N 2.92Å
636R97.5Very high92.9Very high206 Ų20650.2 Ų50.278%0.77728%0.278SS*.THydrogen-bonded Turntrans-55.4120.7-174.1-65.5179.766.9177.8-0.8111.5N699 A700R636-N699 PolarHBondContact O-N 2.96Å; R636-A700 HydrophobicContact CB-CB 3.84Å; R636-A700 WeakPolarHBondContact O-CB 3.45Å; R636-A700 PolarHBondContact O-N 2.72Å
637G96.3Very high94.1Very high34 Ų3451.1 Ų51.135%0.35128%0.278SS..THydrogen-bonded Turntrans88.9-14.2-178.800000115.4V635 S639 F640V635-G637 PolarHBondContact O-N 2.98Å; V635-G637 VanDerWaalsContact O-N 3.14Å; G637-S639 PolarHBondContact O-N 3.04Å; G637-F640 PolarHBondContact O-N 3.15Å
638N97.8Very high94.8Very high2 Ų251.5 Ų51.51%0.01128%0.28CS..THydrogen-bonded Turntrans-70.9-1.9-174.9-78.18.8000114.5V632 V635 F640 P649 L659 G698 N699V632-N638 PolarHBondContact O-ND2 3.06Å; V635-N638 WeakPolarHBondContact O-CB 3.37Å; V635-N638 PolarHBondContact O-N 2.92Å; N638-F640 VanDerWaalsContact C-N 3.27Å; N638-F640 PolarHBondContact O-N 2.87Å; N638-P649 WeakPolarHBondContact O-CD 3.49Å; N638-P649 VanDerWaalsContact O-CG 3.24Å; N638-P649 WeakPolarHBondContact O-CG 3.35Å; N638-L659 HydrophobicContact CB-CD1 3.75Å; N638-L659 HydrophobicContact CB-CG 4.23Å; N638-G698 VanDerWaalsContact OD1-CA 3.28Å; N638-G698 WeakPolarHBondContact OD1-CA 3.06Å; N638-N699 VanDerWaalsContact OD1-CG 3.24Å; N638-N699 PolarHBondContact OD1-N 3.33Å; N638-N699 PolarHBondContact OD1-OD1 2.87Å
639S96Very high95.6Very high54 Ų5450.2 Ų50.238%0.37827%0.27SS..THydrogen-bonded Turntrans-71.4-16.7169.4570000114G637 N648G637-S639 PolarHBondContact O-N 3.04Å; S639-N648 PolarHBondContact O-N 3.13Å
640F98.2Very high95.9Very high107 Ų10751.3 Ų51.347%0.46928%0.275SS..BIsolated β-bridgetrans-135.1144.4-177-58.4-70.3000111.1G637 N638 I642 D645 A646 P647 N699G637-F640 PolarHBondContact O-N 3.15Å; N638-F640 VanDerWaalsContact C-N 3.27Å; N638-F640 PolarHBondContact O-N 2.87Å; F640-I642 PolarHBondContact O-N 3.04Å; F640-D645 HydrophobicContact CB-CB 4.31Å; F640-D645 VanDerWaalsContact CD1-O 3.32Å; F640-D645 WeakPolarHBondContact CD1-O 3.38Å; F640-A646 CarbonylContact C-O 3.47Å; F640-P647 HydrophobicContact CD1-CB 4.18Å; F640-P647 HydrophobicContact CE1-CB 4.23Å; F640-N699 PolarHBondContact O-ND2 3.09Å
641C98.5Very high96.5Very high0 Ų047.6 Ų47.60%026%0.257CS..  trans-60126.5-178.7174.10000112.1D643 C644 D645 A646 P649 M660 C661C641-D643 PolarHBondContact O-N 3.03Å; C641-C644 PolarHBondContact O-N 3.18Å; C641-C644 VanDerWaalsContact SG-SG 3.67Å; C641-D645 WeakPolarHBondContact O-CA 3.35Å; C641-D645 PolarHBondContact O-N 3.47Å; C641-A646 HydrophobicContact CB-CB 3.99Å; C641-A646 WeakPolarHBondContact CB-O 3.42Å; C641-A646 PolarHBondContact N-O 2.78Å; C641-P649 HydrophobicContact CB-CB 4.46Å; C641-M660 VanDerWaalsContact SG-CA 3.6Å; C641-C661 HydrophobicContact CB-CB 4.1Å; C641-C661 PolarHBondContact SG-N 2.77Å
642I98.4Very high96.8Very high1 Ų145.9 Ų45.91%0.00524%0.242CC..THydrogen-bonded Turntrans-44.5-35.6-179.5-170.375.9000114.1F640 A658 L659 M660 N699 A702 N703 K715 K732 Y733F640-I642 PolarHBondContact O-N 3.04Å; I642-A658 HydrophobicContact CB-CB 4.19Å; I642-A658 HydrophobicContact CD1-CB 3.83Å; I642-A658 HydrophobicContact CG1-CB 3.87Å; I642-A658 HydrophobicContact CG2-CB 4.42Å; I642-L659 WeakPolarHBondContact CB-O 3.32Å; I642-L659 WeakPolarHBondContact CG2-O 3.29Å; I642-L659 PolarHBondContact N-O 3.08Å; I642-M660 HydrophobicContact CG2-CB 3.89Å; I642-M660 HydrophobicContact CG2-CE 4.25Å; I642-N699 HydrophobicContact CD1-CB 3.65Å; I642-N699 PolarHBondContact N-ND2 2.99Å; I642-A702 HydrophobicContact CD1-CB 3.72Å; I642-N703 HydrophobicContact CD1-CB 4.32Å; I642-N703 WeakPolarHBondContact CD1-OD1 3.34Å; I642-N703 WeakPolarHBondContact CG1-OD1 3.5Å; I642-N703 PolarHBondContact O-ND2 2.68Å; I642-K715 VanDerWaalsContact O-CE 3.27Å; I642-K715 WeakPolarHBondContact O-CE 3.35Å; I642-K715 PolarHBondContact O-NZ 3.5Å; I642-K732 PolarHBondContact O-NZ 3.03Å; I642-K732 VanDerWaalsContact O-NZ 3.11Å; I642-Y733 WeakPolarHBondContact CG1-OH 3.34Å
643D98.5Very high97Very high1 Ų145.9 Ų45.91%0.00524%0.242CC..THydrogen-bonded Turntrans-106.1-20-172.3-60.4-39.9000116.8C641 C664 H668 K715 I729 K732 Y733C641-D643 PolarHBondContact O-N 3.03Å; D643-C664 HydrophobicContact CB-CB 4.47Å; D643-H668 IonicContact OD1-NE2 2.81Å; D643-H668 PolarHBondContact OD1-NE2 3.46Å; D643-H668 IonicContact OD2-CD2 3.67Å; D643-H668 PolarHBondContact OD2-CD2 3.24Å; D643-H668 CovalentContact OD2-NE2 1.8Å; D643-H668 IonicContact OD2-NE2 3.65Å; D643-H668 PolarHBondContact OD2-NE2 3.16Å; D643-K715 WeakPolarHBondContact O-CE 3.49Å; D643-I729 HydrophobicContact CB-CD1 3.98Å; D643-I729 HydrophobicContact CB-CG1 3.83Å; D643-K732 IonicContact OD1-NZ 2.95Å; D643-K732 PolarHBondContact OD1-NZ 2.98Å; D643-Y733 VanDerWaalsContact OD1-CE2 3.27Å; D643-Y733 WeakPolarHBondContact OD1-CE2 3.17Å; D643-Y733 PolarHBondContact OD1-OH 2.66Å
644C97.9Very high97.1Very high1 Ų143.6 Ų43.61%0.00723%0.234CC..THydrogen-bonded Turntrans-145.811.2-176.268.40000115C641 A646 C664 P716 G717 P718 K725C641-C644 PolarHBondContact O-N 3.18Å; C641-C644 VanDerWaalsContact SG-SG 3.67Å; C644-A646 PolarHBondContact O-N 3.22Å; C644-C664 PolarHBondContact SG-SG 3.17Å; C644-P716 CarbonylContact C-O 3.51Å; C644-P716 WeakPolarHBondContact CA-O 3.23Å; C644-P716 HydrophobicContact CB-CG 4.37Å; C644-P716 WeakPolarHBondContact CB-O 3.3Å; C644-G717 CarbonylContact O-C 3.52Å; C644-P718 WeakPolarHBondContact O-CD 3.21Å; C644-P718 VanDerWaalsContact O-N 3.16Å; C644-K725 HydrophobicContact CB-CG 4.4Å
645D97.9Very high97.1Very high72 Ų7238.7 Ų38.739%0.38520%0.204SC..  trans54.315.4177.7-52.8-42.5000115.9F640 C641 K715F640-D645 HydrophobicContact CB-CB 4.31Å; F640-D645 VanDerWaalsContact CD1-O 3.32Å; F640-D645 WeakPolarHBondContact CD1-O 3.38Å; C641-D645 WeakPolarHBondContact O-CA 3.35Å; C641-D645 PolarHBondContact O-N 3.47Å; D645-K715 WeakPolarHBondContact OD1-CE 3.28Å; D645-K715 IonicContact OD1-NZ 2.65Å; D645-K715 PolarHBondContact OD1-NZ 2.89Å; D645-K715 WeakPolarHBondContact OD2-CD 3.41Å; D645-K715 WeakPolarHBondContact OD2-CE 3.44Å; D645-K715 IonicContact OD2-NZ 2.9Å; D645-K715 PolarHBondContact OD2-NZ 2.84Å
646A97.6Very high97.2Very high14 Ų1437.6 Ų37.612%0.11620%0.197CC..  trans-56.6130.6170.400000110.9F640 C641 C644 C661 P718F640-A646 CarbonylContact C-O 3.47Å; C641-A646 HydrophobicContact CB-CB 3.99Å; C641-A646 WeakPolarHBondContact CB-O 3.42Å; C641-A646 PolarHBondContact N-O 2.78Å; C644-A646 PolarHBondContact O-N 3.22Å; A646-C661 HydrophobicContact CB-CB 4.03Å; A646-P718 HydrophobicContact CB-CB 4.04Å; A646-P718 HydrophobicContact CB-CG 4.44Å
647P97.4Very high97.2Very high82 Ų8227.8 Ų27.853%0.53216%0.16SC..BIsolated β-bridgetrans-72.9152.9-168.529.2-36.4000113.5F640F640-P647 HydrophobicContact CD1-CB 4.18Å; F640-P647 HydrophobicContact CE1-CB 4.23Å
648N93.5Very high97.3Very high127 Ų12726.1 Ų26.168%0.67914%0.143SC*.SBendtrans54.454.5176-53.6-54.5000114.6S639 D650S639-N648 PolarHBondContact O-N 3.13Å; N648-D650 PolarHBondContact O-N 3.26Å
649P97.2Very high97.3Very high1 Ų126 Ų261%0.00614%0.143CC..  trans-58.6136.8178.128.5-37.3000112.6R633 N638 C641 L659 M660R633-P649 PolarHBondContact NH1-O 3.15Å; N638-P649 WeakPolarHBondContact O-CD 3.49Å; N638-P649 VanDerWaalsContact O-CG 3.24Å; N638-P649 WeakPolarHBondContact O-CG 3.35Å; C641-P649 HydrophobicContact CB-CB 4.46Å; P649-L659 HydrophobicContact CB-CB 3.86Å; P649-L659 HydrophobicContact CG-CB 3.63Å; P649-L659 HydrophobicContact CG-CD1 4.32Å; P649-M660 VanDerWaalsContact CB-O 3.3Å; P649-M660 WeakPolarHBondContact CB-O 3.46Å
650D95.3Very high97.4Very high44 Ų4423.5 Ų23.524%0.23513%0.125CC..  trans-116.8-5-174.263.4-48.6000113.7N648 L681N648-D650 PolarHBondContact O-N 3.26Å; D650-L681 PolarHBondContact O-N 2.76Å
651W98.2Very high97.4Very high30 Ų3019.1 Ų19.111%0.11411%0.108CC..EExtended strand (participates in β ladder)trans-109.5155.2173-58.875.8000110.2L659 M660 I662 V678 R679 L683W651-L659 CarbonylContact O-C 3.36Å; W651-L659 WeakPolarHBondContact O-CA 3.34Å; W651-L659 WeakPolarHBondContact O-CD2 3.45Å; W651-M660 HydrophobicContact CB-CG 3.87Å; W651-M660 WeakPolarHBondContact CB-O 3.46Å; W651-M660 PolarHBondContact N-O 2.76Å; W651-M660 VanDerWaalsContact N-O 3.08Å; W651-M660 PolarHBondContact O-N 3.48Å; W651-I662 VanDerWaalsContact CD1-CA 3.48Å; W651-I662 HydrophobicContact CZ2-CD1 4.34Å; W651-I662 HydrophobicContact CZ2-CG1 4.32Å; W651-V678 HydrophobicContact CE3-CG1 4.24Å; W651-R679 CarbonylContact C-O 3.54Å; W651-R679 VanDerWaalsContact CA-O 3.28Å; W651-R679 WeakPolarHBondContact CA-O 3.41Å; W651-L683 HydrophobicContact CH2-CD1 3.97Å; W651-L683 HydrophobicContact CZ2-CD1 4.09Å
652A98.2Very high97.3Very high0 Ų024.2 Ų24.20%013%0.134CC..EExtended strand (participates in β ladder)trans-130.6148.1-178.300000110.4A658 L659 V678 R679 W686 M694A652-A658 CarbonylContact C-O 3.6Å; A652-A658 VanDerWaalsContact CA-O 3.27Å; A652-A658 WeakPolarHBondContact CA-O 3.43Å; A652-L659 HydrophobicContact CB-CD2 3.64Å; A652-V678 CarbonylContact O-C 3.49Å; A652-V678 VanDerWaalsContact O-CA 3.27Å; A652-V678 WeakPolarHBondContact O-CA 3.32Å; A652-R679 PolarHBondContact N-O 3.48Å; A652-R679 PolarHBondContact O-N 2.95Å; A652-W686 HydrophobicContact CB-CH2 3.72Å; A652-W686 HydrophobicContact CB-CZ2 4.09Å; A652-M694 HydrophobicContact CB-CE 3.82Å; A652-M694 HydrophobicContact CB-SD 4.18Å
653S98.1Very high97.3Very high0 Ų029.2 Ų29.20%016%0.157CC..EExtended strand (participates in β ladder)trans-108.9114.7158.3-1780000109.1N655 L656 G657 A658 S676 R677S653-N655 PolarHBondContact O-N 2.86Å; S653-L656 PolarHBondContact O-N 3.09Å; S653-G657 PolarHBondContact O-N 2.86Å; S653-G657 VanDerWaalsContact O-N 3.11Å; S653-A658 PolarHBondContact N-O 3.04Å; S653-A658 PolarHBondContact O-N 2.94Å; S653-S676 VanDerWaalsContact CB-OG 3.29Å; S653-S676 WeakPolarHBondContact CB-OG 3.47Å; S653-S676 PolarHBondContact OG-OG 2.85Å; S653-R677 PolarHBondContact OG-N 2.84Å
654L96.7Very high97.3Very high7 Ų729.2 Ų29.24%0.03716%0.157CC..G310 helixtrans-61.5-49.1-168.9-63.5172.6000112.1L656 G657 R677 R679 W686 L690 M694 W807L654-L656 PolarHBondContact O-N 2.89Å; L654-G657 PolarHBondContact O-N 2.67Å; L654-G657 VanDerWaalsContact O-N 3.16Å; L654-R677 HydrophobicContact CB-CB 4.12Å; L654-R677 HydrophobicContact CD1-CB 4.39Å; L654-R677 WeakPolarHBondContact CG-O 3.23Å; L654-R677 PolarHBondContact N-O 3.2Å; L654-R679 HydrophobicContact CD1-CG 3.81Å; L654-R679 HydrophobicContact CD2-CG 4.26Å; L654-R679 HydrophobicContact CG-CG 4.06Å; L654-W686 HydrophobicContact CD2-CH2 3.52Å; L654-W686 HydrophobicContact CD2-CZ3 3.53Å; L654-L690 HydrophobicContact CD1-CD1 3.99Å; L654-L690 HydrophobicContact CD1-CD2 4.2Å; L654-L690 HydrophobicContact CD2-CB 4.17Å; L654-L690 HydrophobicContact CD2-CD1 4.03Å; L654-L690 HydrophobicContact CD2-CD2 4.38Å; L654-L690 HydrophobicContact CD2-CG 4.44Å; L654-M694 HydrophobicContact CD2-CG 4.43Å; L654-W807 VanDerWaalsContact C-CZ3 3.48Å; L654-W807 HydrophobicContact CB-CE3 4.46Å; L654-W807 HydrophobicContact CB-CH2 3.65Å; L654-W807 HydrophobicContact CB-CZ2 4.11Å; L654-W807 HydrophobicContact CB-CZ3 3.83Å; L654-W807 HydrophobicContact CD1-CZ2 4.36Å; L654-W807 HydrophobicContact CG-CH2 4.5Å; L654-W807 VanDerWaalsContact O-CZ3 3.28Å; L654-W807 WeakPolarHBondContact O-CZ3 3.45Å
655N95.1Very high97.3Very high4 Ų429.3 Ų29.32%0.02116%0.158CC..G310 helixtrans-75.1-9.3-178.665.5-84000114.3S653 L675 R677 W807 Y808S653-N655 PolarHBondContact O-N 2.86Å; N655-L675 PolarHBondContact ND2-O 3.27Å; N655-R677 WeakPolarHBondContact OD1-CB 3.24Å; N655-R677 WeakPolarHBondContact OD1-CG 3.45Å; N655-R677 PolarHBondContact OD1-N 3.41Å; N655-W807 HydrophobicContact CB-CB 4.11Å; N655-W807 HydrophobicContact CB-CD2 4.33Å; N655-W807 HydrophobicContact CB-CE3 3.94Å; N655-W807 HydrophobicContact CB-CG 4.45Å; N655-Y808 HydrophobicContact CB-CE2 4.27Å; N655-Y808 PolarHBondContact O-OH 2.83Å
656L97.4Very high97.2Very high2 Ų227.1 Ų27.11%0.0115%0.152CC..G310 helixtrans-100.5-5.4172.4-57.6176.8000112S653 L654 A658 H668 M697 A702 W706 Y733S653-L656 PolarHBondContact O-N 3.09Å; L654-L656 PolarHBondContact O-N 2.89Å; L656-A658 HydrophobicContact CB-CB 4.09Å; L656-A658 WeakPolarHBondContact O-CB 3.35Å; L656-A658 PolarHBondContact O-N 2.81Å; L656-H668 WeakPolarHBondContact CD1-CE1 3.24Å; L656-M697 VanDerWaalsContact O-CE 3.32Å; L656-M697 WeakPolarHBondContact O-CE 3.41Å; L656-A702 WeakPolarHBondContact O-CB 3.42Å; L656-W706 HydrophobicContact CD2-CZ2 3.77Å; L656-Y733 HydrophobicContact CD1-CD1 3.9Å; L656-Y733 HydrophobicContact CD1-CE1 3.53Å; L656-Y733 HydrophobicContact CD2-CD1 4.15Å; L656-Y733 HydrophobicContact CD2-CE1 4.05Å; L656-Y733 HydrophobicContact CG-CE1 4.38Å
657G97.3Very high97.2Very high0 Ų026.5 Ų26.50%015%0.147CC..THydrogen-bonded Turntrans59.522-17700000114.6S653 L654 G698S653-G657 PolarHBondContact O-N 2.86Å; S653-G657 VanDerWaalsContact O-N 3.11Å; L654-G657 PolarHBondContact O-N 2.67Å; L654-G657 VanDerWaalsContact O-N 3.16Å; G657-G698 VanDerWaalsContact O-CA 3.28Å; G657-G698 WeakPolarHBondContact O-CA 3.32Å; G657-G698 PolarHBondContact O-N 2.9Å
658A98.3Very high97.3Very high0 Ų022.6 Ų22.60%012%0.122CC..EExtended strand (participates in β ladder)trans-126.1144.2-158.800000113.6I642 A652 S653 L656 N699 A702I642-A658 HydrophobicContact CB-CB 4.19Å; I642-A658 HydrophobicContact CD1-CB 3.83Å; I642-A658 HydrophobicContact CG1-CB 3.87Å; I642-A658 HydrophobicContact CG2-CB 4.42Å; A652-A658 CarbonylContact C-O 3.6Å; A652-A658 VanDerWaalsContact CA-O 3.27Å; A652-A658 WeakPolarHBondContact CA-O 3.43Å; S653-A658 PolarHBondContact N-O 3.04Å; S653-A658 PolarHBondContact O-N 2.94Å; L656-A658 HydrophobicContact CB-CB 4.09Å; L656-A658 WeakPolarHBondContact O-CB 3.35Å; L656-A658 PolarHBondContact O-N 2.81Å; A658-N699 WeakPolarHBondContact CA-OD1 3.42Å; A658-N699 WeakPolarHBondContact CB-OD1 3.46Å; A658-A702 HydrophobicContact CB-CB 4.01Å
659L98.6Very high97.4Very high0 Ų022.4 Ų22.40%011%0.111CC..EExtended strand (participates in β ladder)trans-97.5139.3173.8-60-169.3000113.4V632 N638 I642 P649 W651 A652 L681 M694 N699V632-L659 HydrophobicContact CG1-CD1 4.37Å; V632-L659 HydrophobicContact CG1-CD2 4.11Å; N638-L659 HydrophobicContact CB-CD1 3.75Å; N638-L659 HydrophobicContact CB-CG 4.23Å; I642-L659 WeakPolarHBondContact CB-O 3.32Å; I642-L659 WeakPolarHBondContact CG2-O 3.29Å; I642-L659 PolarHBondContact N-O 3.08Å; P649-L659 HydrophobicContact CB-CB 3.86Å; P649-L659 HydrophobicContact CG-CB 3.63Å; P649-L659 HydrophobicContact CG-CD1 4.32Å; W651-L659 CarbonylContact O-C 3.36Å; W651-L659 WeakPolarHBondContact O-CA 3.34Å; W651-L659 WeakPolarHBondContact O-CD2 3.45Å; A652-L659 HydrophobicContact CB-CD2 3.64Å; L659-L681 HydrophobicContact CD1-CD1 3.83Å; L659-L681 HydrophobicContact CD2-CD1 3.91Å; L659-L681 HydrophobicContact CD2-CD2 4.23Å; L659-L681 HydrophobicContact CD2-CG 4.25Å; L659-M694 HydrophobicContact CD2-CE 3.57Å; L659-M694 HydrophobicContact CG-CE 4.27Å; L659-N699 PolarHBondContact N-OD1 2.99Å; L659-N699 PolarHBondContact O-ND2 3.24Å; L659-N699 PolarHBondContact O-OD1 3.02Å
660M98.4Very high97.2Very high0 Ų028.2 Ų28.20%014%0.138CC..EExtended strand (participates in β ladder)trans-135.3155.1-178.159.3-170.558.400111.5C641 I642 P649 W651 C664 S665 H668C641-M660 VanDerWaalsContact SG-CA 3.6Å; I642-M660 HydrophobicContact CG2-CB 3.89Å; I642-M660 HydrophobicContact CG2-CE 4.25Å; P649-M660 VanDerWaalsContact CB-O 3.3Å; P649-M660 WeakPolarHBondContact CB-O 3.46Å; W651-M660 HydrophobicContact CB-CG 3.87Å; W651-M660 WeakPolarHBondContact CB-O 3.46Å; W651-M660 PolarHBondContact N-O 2.76Å; W651-M660 VanDerWaalsContact N-O 3.08Å; W651-M660 PolarHBondContact O-N 3.48Å; M660-C664 HydrophobicContact CB-CB 4.1Å; M660-S665 VanDerWaalsContact SD-CA 3.53Å; M660-H668 HydrophobicContact CE-CB 4.37Å; M660-H668 VanDerWaalsContact CE-CD2 3.43Å; M660-H668 WeakPolarHBondContact CE-CD2 3.27Å; M660-H668 HydrophobicContact SD-CB 3.96Å; M660-H668 VanDerWaalsContact SD-CD2 3.55Å
661C98.2Very high97.2Very high16 Ų1626.5 Ų26.511%0.10813%0.129CC..  trans-73.8164.3172.170.60000111C641 A646 E663 C664 S665C641-C661 HydrophobicContact CB-CB 4.1Å; C641-C661 PolarHBondContact SG-N 2.77Å; A646-C661 HydrophobicContact CB-CB 4.03Å; C661-E663 VanDerWaalsContact C-N 3.26Å; C661-E663 PolarHBondContact O-N 3.4Å; C661-C664 PolarHBondContact O-N 2.66Å; C661-C664 VanDerWaalsContact SG-SG 3.69Å; C661-S665 WeakPolarHBondContact O-CB 3.36Å; C661-S665 PolarHBondContact O-N 3.24Å
662I96.4Very high96.6Very high107 Ų10726.3 Ų26.355%0.54914%0.136SC..Hα-helixtrans-52.5-38.2-179.5-168.8168000114W651 S665 G666W651-I662 VanDerWaalsContact CD1-CA 3.48Å; W651-I662 HydrophobicContact CZ2-CD1 4.34Å; W651-I662 HydrophobicContact CZ2-CG1 4.32Å; I662-S665 WeakPolarHBondContact O-CB 3.41Å; I662-S665 PolarHBondContact O-N 2.77Å; I662-S665 PolarHBondContact O-OG 2.97Å; I662-G666 PolarHBondContact O-N 2.91Å
663E97.3Very high96.2Very high106 Ų10629.6 Ų29.650%0.49516%0.163SC..Hα-helixtrans-67.3-50.2179.7-64-175.1176.800112.4C661 S665 G666 I667 K725C661-E663 VanDerWaalsContact C-N 3.26Å; C661-E663 PolarHBondContact O-N 3.4Å; E663-S665 VanDerWaalsContact C-N 3.28Å; E663-S665 PolarHBondContact O-N 3.03Å; E663-G666 WeakPolarHBondContact O-CA 3.31Å; E663-G666 PolarHBondContact O-N 3.47Å; E663-I667 PolarHBondContact O-N 2.87Å; E663-K725 IonicContact OE2-NZ 2.87Å; E663-K725 PolarHBondContact OE2-NZ 3.11Å
664C98.3Very high95.6Very high0 Ų036.4 Ų36.40%020%0.195CC..Hα-helixtrans-62.4-37.5175-65.90000110.9D643 C644 M660 C661 G666 I667 H668 I729D643-C664 HydrophobicContact CB-CB 4.47Å; C644-C664 PolarHBondContact SG-SG 3.17Å; M660-C664 HydrophobicContact CB-CB 4.1Å; C661-C664 PolarHBondContact O-N 2.66Å; C661-C664 VanDerWaalsContact SG-SG 3.69Å; C664-G666 PolarHBondContact O-N 3Å; C664-I667 PolarHBondContact O-N 3.35Å; C664-H668 PolarHBondContact O-CD2 2.98Å; C664-H668 VanDerWaalsContact O-CD2 3.3Å; C664-H668 PolarHBondContact O-N 3.43Å; C664-I729 HydrophobicContact CB-CD1 3.87Å
665S97.9Very high95.4Very high4 Ų437.9 Ų37.93%0.02820%0.203CC..Hα-helixtrans-59.2-34.4172.295.70000112.7M660 C661 I662 E663 R669M660-S665 VanDerWaalsContact SD-CA 3.53Å; C661-S665 WeakPolarHBondContact O-CB 3.36Å; C661-S665 PolarHBondContact O-N 3.24Å; I662-S665 WeakPolarHBondContact O-CB 3.41Å; I662-S665 PolarHBondContact O-N 2.77Å; I662-S665 PolarHBondContact O-OG 2.97Å; E663-S665 VanDerWaalsContact C-N 3.28Å; E663-S665 PolarHBondContact O-N 3.03Å; S665-R669 WeakPolarHBondContact O-CD 3.2Å; S665-R669 VanDerWaalsContact O-CG 3.23Å; S665-R669 WeakPolarHBondContact O-CG 3.48Å; S665-R669 PolarHBondContact O-N 2.9Å
666G96.3Very high95.5Very high26 Ų2637.9 Ų37.927%0.26820%0.203SC..Hα-helixtrans-63.2-42.3173.200000111.9I662 E663 C664 H670I662-G666 PolarHBondContact O-N 2.91Å; E663-G666 WeakPolarHBondContact O-CA 3.31Å; E663-G666 PolarHBondContact O-N 3.47Å; C664-G666 PolarHBondContact O-N 3Å; G666-H670 PolarHBondContact O-CE1 3.32Å; G666-H670 PolarHBondContact O-ND1 3.39Å
667I97.8Very high95.4Very high1 Ų140.8 Ų40.81%0.00521%0.214CC..Hα-helixtrans-71.1-47.2178.2-61.1163000110.8E663 C664 R669 H670 L671 R722 K725 E726 I729E663-I667 PolarHBondContact O-N 2.87Å; C664-I667 PolarHBondContact O-N 3.35Å; I667-R669 PolarHBondContact O-N 2.99Å; I667-R669 VanDerWaalsContact O-N 3.15Å; I667-H670 WeakPolarHBondContact O-CA 3.17Å; I667-H670 WeakPolarHBondContact O-CB 3.48Å; I667-H670 PolarHBondContact O-N 2.89Å; I667-L671 PolarHBondContact O-N 3.13Å; I667-R722 HydrophobicContact CD1-CG 4.34Å; I667-K725 HydrophobicContact CD1-CB 3.67Å; I667-E726 HydrophobicContact CD1-CB 4.07Å; I667-E726 HydrophobicContact CG1-CB 4.31Å; I667-E726 HydrophobicContact CG2-CB 4.02Å; I667-E726 HydrophobicContact CG2-CG 3.88Å; I667-I729 HydrophobicContact CB-CD1 3.99Å; I667-I729 HydrophobicContact CD1-CD1 3.94Å; I667-I729 HydrophobicContact CG2-CB 3.99Å; I667-I729 HydrophobicContact CG2-CD1 4Å; I667-I729 HydrophobicContact CG2-CG2 3.68Å
668H98.2Very high95.4Very high0 Ų041.1 Ų41.10%022%0.216CC..Hα-helixtrans-55.6-32.6177.4-88.2-92.3000113.1D643 L656 M660 C664 H670 L671 S676 V678 Y733D643-H668 IonicContact OD1-NE2 2.81Å; D643-H668 PolarHBondContact OD1-NE2 3.46Å; D643-H668 IonicContact OD2-CD2 3.67Å; D643-H668 PolarHBondContact OD2-CD2 3.24Å; D643-H668 CovalentContact OD2-NE2 1.8Å; D643-H668 IonicContact OD2-NE2 3.65Å; D643-H668 PolarHBondContact OD2-NE2 3.16Å; L656-H668 WeakPolarHBondContact CD1-CE1 3.24Å; M660-H668 HydrophobicContact CE-CB 4.37Å; M660-H668 VanDerWaalsContact CE-CD2 3.43Å; M660-H668 WeakPolarHBondContact CE-CD2 3.27Å; M660-H668 HydrophobicContact SD-CB 3.96Å; M660-H668 VanDerWaalsContact SD-CD2 3.55Å; C664-H668 PolarHBondContact O-CD2 2.98Å; C664-H668 VanDerWaalsContact O-CD2 3.3Å; C664-H668 PolarHBondContact O-N 3.43Å; H668-H670 VanDerWaalsContact C-N 3.26Å; H668-H670 PolarHBondContact O-N 3.46Å; H668-L671 WeakPolarHBondContact O-CB 3.48Å; H668-L671 PolarHBondContact O-N 3.22Å; H668-S676 VanDerWaalsContact ND1-CB 3.28Å; H668-S676 WeakPolarHBondContact ND1-CB 3.45Å; H668-S676 PolarHBondContact ND1-OG 2.74Å; H668-V678 HydrophobicContact CB-CG2 3.66Å; H668-Y733 AromaticContact CE1-CD1 3.73Å; H668-Y733 AromaticContact CE1-CD2 2.87Å; H668-Y733 WeakPolarHBondContact CE1-CD2 3.33Å; H668-Y733 AromaticContact CE1-CE1 3.51Å; H668-Y733 AromaticContact CE1-CE2 2.58Å; H668-Y733 WeakPolarHBondContact CE1-CE2 3.45Å; H668-Y733 AromaticContact CE1-CG 3.43Å; H668-Y733 VanDerWaalsContact CE1-CG 3.43Å; H668-Y733 AromaticContact CE1-CZ 2.93Å; H668-Y733 AromaticContact NE2-CD2 3.91Å; H668-Y733 AromaticContact NE2-CE2 3.14Å; H668-Y733 WeakPolarHBondContact NE2-CE2 3.43Å; H668-Y733 AromaticContact NE2-CZ 3.88Å
669R96.6Very high95.3Very high122 Ų12245.8 Ų45.846%0.4623%0.233SC..Hα-helixtrans-65.1-24.4173.2-73.6168.7-172.1-71.1-2.6114.1S665 I667 V678S665-R669 WeakPolarHBondContact O-CD 3.2Å; S665-R669 VanDerWaalsContact O-CG 3.23Å; S665-R669 WeakPolarHBondContact O-CG 3.48Å; S665-R669 PolarHBondContact O-N 2.9Å; I667-R669 PolarHBondContact O-N 2.99Å; I667-R669 VanDerWaalsContact O-N 3.15Å; R669-V678 HydrophobicContact CG-CB 4.08Å; R669-V678 HydrophobicContact CG-CG1 4.35Å; R669-V678 HydrophobicContact CG-CG2 4.01Å
670H93.6Very high95.2Very high124 Ų12445.8 Ų45.857%0.57423%0.233SC*.Hα-helixtrans-88.4-13.7176.6-64.284.8000113.3G666 I667 H668 G672G666-H670 PolarHBondContact O-CE1 3.32Å; G666-H670 PolarHBondContact O-ND1 3.39Å; I667-H670 WeakPolarHBondContact O-CA 3.17Å; I667-H670 WeakPolarHBondContact O-CB 3.48Å; I667-H670 PolarHBondContact O-N 2.89Å; H668-H670 VanDerWaalsContact C-N 3.26Å; H668-H670 PolarHBondContact O-N 3.46Å; H670-G672 VanDerWaalsContact C-N 3.29Å
671L93.6Very high94.9Very high8 Ų846.2 Ų46.24%0.04224%0.235CC..Hα-helixtrans-71.5-25.4168.2-59.3-176.9000112.3I667 H668 H674 L675 I729 R730I667-L671 PolarHBondContact O-N 3.13Å; H668-L671 WeakPolarHBondContact O-CB 3.48Å; H668-L671 PolarHBondContact O-N 3.22Å; L671-H674 PolarHBondContact O-CE1 3.42Å; L671-H674 VanDerWaalsContact O-CE1 3.31Å; L671-L675 HydrophobicContact CB-CB 4.1Å; L671-L675 HydrophobicContact CB-CD1 4.02Å; L671-L675 HydrophobicContact CD1-CB 4.5Å; L671-I729 HydrophobicContact CD1-CG2 3.78Å; L671-I729 HydrophobicContact CD2-CG2 4.46Å; L671-I729 HydrophobicContact CG-CG2 4.35Å; L671-R730 HydrophobicContact CD2-CG 4.01Å
672G86.3Confident94.5Very high26 Ų2649.7 Ų49.727%0.26825%0.253SS..  trans88.2159.5-177.800000114.2H670 H674 L675 S676H670-G672 VanDerWaalsContact C-N 3.29Å; G672-H674 PolarHBondContact O-N 3.34Å; G672-H674 VanDerWaalsContact O-N 3.09Å; G672-L675 PolarHBondContact O-N 3.31Å; G672-L675 VanDerWaalsContact O-N 3.16Å; G672-S676 PolarHBondContact O-N 3.36Å
673A89.8Confident94Very high68 Ų6849.5 Ų49.556%0.56225%0.253SS*.THydrogen-bonded Turntrans-71.3-5.2-168.200000115.5R677A673-R677 WeakPolarHBondContact O-CG 3.16Å
674H85.9Confident93.7Very high144 Ų14447.6 Ų47.667%0.66725%0.246SC*.THydrogen-bonded Turntrans-81.5-34.5173.166-78.2000111.5L671 G672L671-H674 PolarHBondContact O-CE1 3.42Å; L671-H674 VanDerWaalsContact O-CE1 3.31Å; G672-H674 PolarHBondContact O-N 3.34Å; G672-H674 VanDerWaalsContact O-N 3.09Å
675L92.9Very high93.1Very high38 Ų3852.2 Ų52.220%0.19927%0.271CS..THydrogen-bonded Turntrans-87.4-42.9172-65.6175000112.3N655 L671 G672 E734N655-L675 PolarHBondContact ND2-O 3.27Å; L671-L675 HydrophobicContact CB-CB 4.1Å; L671-L675 HydrophobicContact CB-CD1 4.02Å; L671-L675 HydrophobicContact CD1-CB 4.5Å; G672-L675 PolarHBondContact O-N 3.31Å; G672-L675 VanDerWaalsContact O-N 3.16Å; L675-E734 HydrophobicContact CD1-CB 4.01Å; L675-E734 HydrophobicContact CD1-CG 4.19Å
676S96.4Very high92.7Very high4 Ų453.2 Ų53.23%0.02827%0.274CS..  trans-145.2117-171.6-162.60000114.6S653 H668 G672 V678S653-S676 VanDerWaalsContact CB-OG 3.29Å; S653-S676 WeakPolarHBondContact CB-OG 3.47Å; S653-S676 PolarHBondContact OG-OG 2.85Å; H668-S676 VanDerWaalsContact ND1-CB 3.28Å; H668-S676 WeakPolarHBondContact ND1-CB 3.45Å; H668-S676 PolarHBondContact ND1-OG 2.74Å; G672-S676 PolarHBondContact O-N 3.36Å; S676-V678 PolarHBondContact O-N 3.02Å
677R95.9Very high92.3Very high62 Ų6254.1 Ų54.123%0.23428%0.275CS..  trans-96.582.7-179.6-67.1177175.789.5-12.5111S653 L654 N655 A673 W807S653-R677 PolarHBondContact OG-N 2.84Å; L654-R677 HydrophobicContact CB-CB 4.12Å; L654-R677 HydrophobicContact CD1-CB 4.39Å; L654-R677 WeakPolarHBondContact CG-O 3.23Å; L654-R677 PolarHBondContact N-O 3.2Å; N655-R677 WeakPolarHBondContact OD1-CB 3.24Å; N655-R677 WeakPolarHBondContact OD1-CG 3.45Å; N655-R677 PolarHBondContact OD1-N 3.41Å; A673-R677 WeakPolarHBondContact O-CG 3.16Å; R677-W807 VanDerWaalsContact CZ-O 3.29Å; R677-W807 PolarHBondContact NH1-O 2.87Å; R677-W807 PolarHBondContact NH2-O 3.04Å
678V97.6Very high91.8Very high7 Ų758 Ų584%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-76.4135.9-170.5-170.30000114.2W651 A652 H668 R669 S676W651-V678 HydrophobicContact CE3-CG1 4.24Å; A652-V678 CarbonylContact O-C 3.49Å; A652-V678 VanDerWaalsContact O-CA 3.27Å; A652-V678 WeakPolarHBondContact O-CA 3.32Å; H668-V678 HydrophobicContact CB-CG2 3.66Å; R669-V678 HydrophobicContact CG-CB 4.08Å; R669-V678 HydrophobicContact CG-CG1 4.35Å; R669-V678 HydrophobicContact CG-CG2 4.01Å; S676-V678 PolarHBondContact O-N 3.02Å
679R95.8Very high91.4Very high99 Ų9959.4 Ų59.437%0.37431%0.307SS..EExtended strand (participates in β ladder)trans-138.1164.2171.8-69.1-64.3-179.3-83.60.2111.9W651 A652 L654 D684 W686W651-R679 CarbonylContact C-O 3.54Å; W651-R679 VanDerWaalsContact CA-O 3.28Å; W651-R679 WeakPolarHBondContact CA-O 3.41Å; A652-R679 PolarHBondContact N-O 3.48Å; A652-R679 PolarHBondContact O-N 2.95Å; L654-R679 HydrophobicContact CD1-CG 3.81Å; L654-R679 HydrophobicContact CD2-CG 4.26Å; L654-R679 HydrophobicContact CG-CG 4.06Å; R679-D684 VanDerWaalsContact CA-OD2 3.24Å; R679-D684 WeakPolarHBondContact CA-OD2 3.29Å; R679-D684 HydrophobicContact CB-CB 4.49Å; R679-D684 VanDerWaalsContact CD-OD2 3.27Å; R679-D684 WeakPolarHBondContact CD-OD2 3.47Å; R679-W686 HydrophobicContact CB-CH2 4.14Å; R679-W686 HydrophobicContact CB-CZ2 3.69Å
680S96.3Very high91.2Very high0 Ų054.5 Ų54.50%029%0.29CS..EExtended strand (participates in β ladder)trans-105.9138.8167.8175.60000111D682 L683 D684 W686S680-D682 PolarHBondContact O-N 2.72Å; S680-D682 PolarHBondContact OG-N 3.49Å; S680-L683 PolarHBondContact OG-N 2.76Å; S680-D684 PolarHBondContact N-OD2 2.8Å; S680-D684 PolarHBondContact O-N 2.76Å; S680-W686 PolarHBondContact O-NE1 3.02Å
681L92.7Very high91.2Very high8 Ų849.3 Ų49.34%0.04227%0.266CS..THydrogen-bonded Turntrans-64.4-26.1172.5-65.6178.8000113.2V629 V632 R633 D650 L659 W686V629-L681 HydrophobicContact CG1-CB 4.01Å; V629-L681 HydrophobicContact CG1-CD2 4.31Å; V632-L681 HydrophobicContact CG1-CD2 4.05Å; R633-L681 HydrophobicContact CG-CD1 3.69Å; D650-L681 PolarHBondContact O-N 2.76Å; L659-L681 HydrophobicContact CD1-CD1 3.83Å; L659-L681 HydrophobicContact CD2-CD1 3.91Å; L659-L681 HydrophobicContact CD2-CD2 4.23Å; L659-L681 HydrophobicContact CD2-CG 4.25Å; L681-W686 HydrophobicContact CD2-CH2 4.17Å; L681-W686 HydrophobicContact CD2-CZ2 3.72Å
682D88.3Confident91.3Very high90 Ų9050.3 Ų50.348%0.48128%0.275SS..THydrogen-bonded Turntrans-112.2-9.9-170.9-54.1-49.1000114.4R633 S680R633-D682 IonicContact CZ-OD1 2.72Å; R633-D682 IonicContact CZ-OD2 3.55Å; R633-D682 IonicContact NH2-OD1 2.82Å; R633-D682 PolarHBondContact NH2-OD1 2.82Å; R633-D682 IonicContact NH2-OD2 3.46Å; R633-D682 PolarHBondContact NH2-OD2 3.07Å; S680-D682 PolarHBondContact O-N 2.72Å; S680-D682 PolarHBondContact OG-N 3.49Å
683L86.9Confident91.7Very high103 Ų10349 Ų4954%0.53926%0.263SS..THydrogen-bonded Turntrans-121.8-22.7-173.3-55.3175.5000115W651 S680W651-L683 HydrophobicContact CH2-CD1 3.97Å; W651-L683 HydrophobicContact CZ2-CD1 4.09Å; S680-L683 PolarHBondContact OG-N 2.76Å
684D90Very high92.1Very high65 Ų6545.8 Ų45.835%0.34824%0.236SC..SBendtrans-102.7161.5178.2-68.2-52.4000111.6R679 S680 W686R679-D684 VanDerWaalsContact CA-OD2 3.24Å; R679-D684 WeakPolarHBondContact CA-OD2 3.29Å; R679-D684 HydrophobicContact CB-CB 4.49Å; R679-D684 VanDerWaalsContact CD-OD2 3.27Å; R679-D684 WeakPolarHBondContact CD-OD2 3.47Å; S680-D684 PolarHBondContact N-OD2 2.8Å; S680-D684 PolarHBondContact O-N 2.76Å; D684-W686 VanDerWaalsContact O-CD1 3.31Å
685D86.4Confident92.5Very high98 Ų9842 Ų4252%0.52422%0.222SC..  trans-76.4141.5170.6-55.5-58.8000110.6K615 P687K615-D685 IonicContact NZ-OD2 2.66Å; K615-D685 PolarHBondContact NZ-OD2 3.25Å; D685-P687 WeakPolarHBondContact O-CD 3.49Å
686W88.5Confident92.7Very high25 Ų2542.2 Ų42.210%0.09523%0.23CC..  trans-120.392.1-179-76.987.6000112.4V629 A652 L654 R679 S680 L681 D684 L690 L691 M694V629-W686 HydrophobicContact CG2-CB 4.09Å; V629-W686 HydrophobicContact CG2-CG 4.03Å; A652-W686 HydrophobicContact CB-CH2 3.72Å; A652-W686 HydrophobicContact CB-CZ2 4.09Å; L654-W686 HydrophobicContact CD2-CH2 3.52Å; L654-W686 HydrophobicContact CD2-CZ3 3.53Å; R679-W686 HydrophobicContact CB-CH2 4.14Å; R679-W686 HydrophobicContact CB-CZ2 3.69Å; S680-W686 PolarHBondContact O-NE1 3.02Å; L681-W686 HydrophobicContact CD2-CH2 4.17Å; L681-W686 HydrophobicContact CD2-CZ2 3.72Å; D684-W686 VanDerWaalsContact O-CD1 3.31Å; W686-L690 HydrophobicContact CE3-CB 3.75Å; W686-L690 HydrophobicContact CE3-CD1 4.49Å; W686-L690 HydrophobicContact CZ3-CB 3.86Å; W686-L691 HydrophobicContact CB-CD1 4.18Å; W686-L691 HydrophobicContact CB-CD2 4.03Å; W686-L691 HydrophobicContact CB-CG 4.06Å; W686-L691 HydrophobicContact CD2-CD2 4.38Å; W686-L691 HydrophobicContact CE3-CD2 4.02Å; W686-L691 HydrophobicContact CE3-CG 4.3Å; W686-L691 HydrophobicContact CG-CD2 4.4Å; W686-L691 WeakPolarHBondContact O-CD1 3.36Å; W686-M694 HydrophobicContact CH2-CG 4.04Å; W686-M694 HydrophobicContact CZ3-CG 3.66Å
687P88.7Confident92.7Very high45 Ų4542.4 Ų42.429%0.29223%0.231SC..  trans-61.8156.2168.2-26.236.9000113.9D685 E689 L690 L691D685-P687 WeakPolarHBondContact O-CD 3.49Å; P687-E689 VanDerWaalsContact C-N 3.31Å; P687-E689 HydrophobicContact CB-CG 4.48Å; P687-E689 WeakPolarHBondContact CB-OE1 3.4Å; P687-E689 WeakPolarHBondContact CB-OE2 3.45Å; P687-E689 PolarHBondContact O-N 3.42Å; P687-L690 HydrophobicContact CB-CG 4.45Å; P687-L690 HydrophobicContact CG-CD1 4.47Å; P687-L690 HydrophobicContact CG-CG 4.5Å; P687-L690 PolarHBondContact O-N 3.16Å; P687-L691 WeakPolarHBondContact O-CG 3.43Å; P687-L691 PolarHBondContact O-N 2.89Å
688P87.5Confident92.7Very high83 Ų8339.4 Ų39.454%0.53922%0.219SC..Hα-helixtrans-55.4-39.9-178.9-25.435.3000114.2L690 L691 A692P688-L690 VanDerWaalsContact C-N 3.31Å; P688-L690 PolarHBondContact O-N 3.11Å; P688-L691 WeakPolarHBondContact O-CB 3.46Å; P688-L691 PolarHBondContact O-N 2.73Å; P688-L691 VanDerWaalsContact O-N 3.16Å; P688-A692 PolarHBondContact O-N 3.44Å
689E89.3Confident92.8Very high29 Ų2939.4 Ų39.414%0.13622%0.219CC..Hα-helixtrans-64.1-34.6-178.768.1-78.9-175.600112.7P687 V693 V799 I837P687-E689 VanDerWaalsContact C-N 3.31Å; P687-E689 HydrophobicContact CB-CG 4.48Å; P687-E689 WeakPolarHBondContact CB-OE1 3.4Å; P687-E689 WeakPolarHBondContact CB-OE2 3.45Å; P687-E689 PolarHBondContact O-N 3.42Å; E689-V693 PolarHBondContact O-N 2.77Å; E689-V799 HydrophobicContact CB-CG1 4.35Å; E689-I837 HydrophobicContact CB-CD1 3.57Å; E689-I837 HydrophobicContact CB-CG1 3.88Å; E689-I837 HydrophobicContact CG-CD1 4.26Å; E689-I837 HydrophobicContact CG-CG1 4.05Å
690L93.3Very high92.9Very high19 Ų1937 Ų3710%0.09922%0.22CC..Hα-helixtrans-73.3-39.3174.8-54.5-165.4000111.2L654 W686 P687 P688 A692 M694 W807L654-L690 HydrophobicContact CD1-CD1 3.99Å; L654-L690 HydrophobicContact CD1-CD2 4.2Å; L654-L690 HydrophobicContact CD2-CB 4.17Å; L654-L690 HydrophobicContact CD2-CD1 4.03Å; L654-L690 HydrophobicContact CD2-CD2 4.38Å; L654-L690 HydrophobicContact CD2-CG 4.44Å; W686-L690 HydrophobicContact CE3-CB 3.75Å; W686-L690 HydrophobicContact CE3-CD1 4.49Å; W686-L690 HydrophobicContact CZ3-CB 3.86Å; P687-L690 HydrophobicContact CB-CG 4.45Å; P687-L690 HydrophobicContact CG-CD1 4.47Å; P687-L690 HydrophobicContact CG-CG 4.5Å; P687-L690 PolarHBondContact O-N 3.16Å; P688-L690 VanDerWaalsContact C-N 3.31Å; P688-L690 PolarHBondContact O-N 3.11Å; L690-A692 VanDerWaalsContact C-N 3.34Å; L690-M694 WeakPolarHBondContact O-CB 3.49Å; L690-M694 VanDerWaalsContact O-CG 3.29Å; L690-M694 WeakPolarHBondContact O-CG 3.49Å; L690-M694 PolarHBondContact O-N 3.38Å; L690-M694 VanDerWaalsContact O-N 3.11Å; L690-W807 HydrophobicContact CD2-CH2 3.69Å; L690-W807 HydrophobicContact CD2-CZ2 3.46Å; L690-W807 VanDerWaalsContact CD2-CZ2 3.46Å
691L93.7Very high93Very high14 Ų1438.6 Ų38.67%0.07323%0.229CC..Hα-helixtrans-66-37.2177.7-69.2164.7000111.5A628 V629 V632 W686 P687 P688 T695A628-L691 HydrophobicContact CB-CB 4.47Å; A628-L691 HydrophobicContact CB-CD1 3.78Å; A628-L691 HydrophobicContact CB-CD2 4.09Å; A628-L691 HydrophobicContact CB-CG 4.33Å; V629-L691 HydrophobicContact CG2-CD2 3.83Å; V632-L691 HydrophobicContact CG2-CD2 4.14Å; W686-L691 HydrophobicContact CB-CD1 4.18Å; W686-L691 HydrophobicContact CB-CD2 4.03Å; W686-L691 HydrophobicContact CB-CG 4.06Å; W686-L691 HydrophobicContact CD2-CD2 4.38Å; W686-L691 HydrophobicContact CE3-CD2 4.02Å; W686-L691 HydrophobicContact CE3-CG 4.3Å; W686-L691 HydrophobicContact CG-CD2 4.4Å; W686-L691 WeakPolarHBondContact O-CD1 3.36Å; P687-L691 WeakPolarHBondContact O-CG 3.43Å; P687-L691 PolarHBondContact O-N 2.89Å; P688-L691 WeakPolarHBondContact O-CB 3.46Å; P688-L691 PolarHBondContact O-N 2.73Å; P688-L691 VanDerWaalsContact O-N 3.16Å; L691-T695 VanDerWaalsContact O-CB 3.23Å; L691-T695 WeakPolarHBondContact O-CB 3.49Å; L691-T695 PolarHBondContact O-N 2.82Å; L691-T695 PolarHBondContact O-OG1 2.86Å
692A94.1Very high93.2Very high29 Ų2938.2 Ų38.224%0.2423%0.227CC..Hα-helixtrans-59.6-52.7175.800000111.6P688 L690 M694 T695 A696 V799 V800P688-A692 PolarHBondContact O-N 3.44Å; L690-A692 VanDerWaalsContact C-N 3.34Å; A692-M694 PolarHBondContact O-N 3.08Å; A692-T695 PolarHBondContact O-N 3.03Å; A692-A696 WeakPolarHBondContact O-CB 3.5Å; A692-A696 PolarHBondContact O-N 3.16Å; A692-V799 HydrophobicContact CB-CG1 4.4Å; A692-V800 HydrophobicContact CB-CG2 4.07Å
693V96.4Very high93.7Very high0 Ų035.1 Ų35.10%021%0.21CC..Hα-helixtrans-61.7-46.4178.6-177.70000111.4E689 T695 A696 M697 V800 Q803 L804 W807E689-V693 PolarHBondContact O-N 2.77Å; V693-T695 VanDerWaalsContact C-N 3.26Å; V693-T695 PolarHBondContact O-N 3.12Å; V693-A696 PolarHBondContact O-N 3.47Å; V693-M697 HydrophobicContact CG1-SD 3.77Å; V693-M697 PolarHBondContact O-N 3.26Å; V693-V800 HydrophobicContact CG2-CB 4.49Å; V693-V800 HydrophobicContact CG2-CG1 4.19Å; V693-Q803 HydrophobicContact CG2-CB 3.98Å; V693-Q803 HydrophobicContact CG2-CG 4.04Å; V693-L804 HydrophobicContact CG1-CD2 3.94Å; V693-L804 HydrophobicContact CG1-CG 4.2Å; V693-W807 HydrophobicContact CB-CZ3 4.31Å; V693-W807 HydrophobicContact CG1-CZ3 4.07Å; V693-W807 HydrophobicContact CG2-CH2 4.33Å; V693-W807 HydrophobicContact CG2-CZ3 4.12Å
694M97.1Very high94.1Very high0 Ų031.7 Ų31.70%020%0.195CC..Hα-helixtrans-66.9-24.8-179.8-69.5-56.8-51.400113.6V632 A652 L654 L659 W686 L690 A692V632-M694 HydrophobicContact CB-CB 4.45Å; V632-M694 HydrophobicContact CG1-CB 3.84Å; V632-M694 HydrophobicContact CG1-CE 4.19Å; V632-M694 HydrophobicContact CG2-CB 3.69Å; A652-M694 HydrophobicContact CB-CE 3.82Å; A652-M694 HydrophobicContact CB-SD 4.18Å; L654-M694 HydrophobicContact CD2-CG 4.43Å; L659-M694 HydrophobicContact CD2-CE 3.57Å; L659-M694 HydrophobicContact CG-CE 4.27Å; W686-M694 HydrophobicContact CH2-CG 4.04Å; W686-M694 HydrophobicContact CZ3-CG 3.66Å; L690-M694 WeakPolarHBondContact O-CB 3.49Å; L690-M694 VanDerWaalsContact O-CG 3.29Å; L690-M694 WeakPolarHBondContact O-CG 3.49Å; L690-M694 PolarHBondContact O-N 3.38Å; L690-M694 VanDerWaalsContact O-N 3.11Å; A692-M694 PolarHBondContact O-N 3.08Å
695T95.4Very high94.5Very high63 Ų6328.6 Ų28.639%0.38718%0.178SC..Hα-helixtrans-81.9-35.1175.2-56.80000111.9L691 A692 V693L691-T695 VanDerWaalsContact O-CB 3.23Å; L691-T695 WeakPolarHBondContact O-CB 3.49Å; L691-T695 PolarHBondContact O-N 2.82Å; L691-T695 PolarHBondContact O-OG1 2.86Å; A692-T695 PolarHBondContact O-N 3.03Å; V693-T695 VanDerWaalsContact C-N 3.26Å; V693-T695 PolarHBondContact O-N 3.12Å
696A96.2Very high95.1Very high44 Ų4424.5 Ų24.536%0.36416%0.155SC..Hα-helixtrans-75.2-30.9-177.400000114A692 V693 L762 V800A692-A696 WeakPolarHBondContact O-CB 3.5Å; A692-A696 PolarHBondContact O-N 3.16Å; V693-A696 PolarHBondContact O-N 3.47Å; A696-L762 HydrophobicContact CB-CD2 3.86Å; A696-L762 WeakPolarHBondContact O-CD2 3.38Å; A696-V800 HydrophobicContact CB-CG1 4.12Å; A696-V800 HydrophobicContact CB-CG2 4Å
697M96.2Very high95.5Very high7 Ų724.6 Ų24.63%0.03416%0.157CC..SBendtrans-97.6-85.1-174-65.8177.862.500113.1L656 V693 L701 L762 V766 L804L656-M697 VanDerWaalsContact O-CE 3.32Å; L656-M697 WeakPolarHBondContact O-CE 3.41Å; V693-M697 HydrophobicContact CG1-SD 3.77Å; V693-M697 PolarHBondContact O-N 3.26Å; M697-L701 HydrophobicContact CB-CD2 4.33Å; M697-L701 HydrophobicContact CE-CD2 4.11Å; M697-L701 HydrophobicContact CG-CD2 4.24Å; M697-L701 WeakPolarHBondContact O-CB 3.48Å; M697-L762 HydrophobicContact CG-CD1 4.14Å; M697-L762 HydrophobicContact CG-CD2 3.98Å; M697-L762 HydrophobicContact CG-CG 4.36Å; M697-V766 HydrophobicContact CE-CB 4.42Å; M697-V766 HydrophobicContact CE-CG1 3.87Å; M697-V766 HydrophobicContact CE-CG2 3.62Å; M697-V766 HydrophobicContact SD-CG2 4.08Å; M697-L804 HydrophobicContact SD-CD1 4.09Å; M697-L804 HydrophobicContact SD-CD2 4.08Å
698G97.1Very high95.8Very high0 Ų024.4 Ų24.40%016%0.163CC..Hα-helixtrans70.2168.3-172.800000114.9N638 G657 A700 L701 A702N638-G698 VanDerWaalsContact OD1-CA 3.28Å; N638-G698 WeakPolarHBondContact OD1-CA 3.06Å; G657-G698 VanDerWaalsContact O-CA 3.28Å; G657-G698 WeakPolarHBondContact O-CA 3.32Å; G657-G698 PolarHBondContact O-N 2.9Å; G698-A700 VanDerWaalsContact C-N 3.3Å; G698-A700 PolarHBondContact O-N 3.25Å; G698-L701 PolarHBondContact O-N 3.38Å; G698-L701 VanDerWaalsContact O-N 3.13Å; G698-A702 PolarHBondContact O-N 2.96Å
699N98.4Very high96.1Very high6 Ų622.4 Ų22.43%0.03215%0.154CC..Hα-helixtrans-64.5-30.3-167.8-70.1-6000114R636 N638 F640 I642 A658 L659 N703R636-N699 PolarHBondContact O-N 2.96Å; N638-N699 VanDerWaalsContact OD1-CG 3.24Å; N638-N699 PolarHBondContact OD1-N 3.33Å; N638-N699 PolarHBondContact OD1-OD1 2.87Å; F640-N699 PolarHBondContact O-ND2 3.09Å; I642-N699 HydrophobicContact CD1-CB 3.65Å; I642-N699 PolarHBondContact N-ND2 2.99Å; A658-N699 WeakPolarHBondContact CA-OD1 3.42Å; A658-N699 WeakPolarHBondContact CB-OD1 3.46Å; L659-N699 PolarHBondContact N-OD1 2.99Å; L659-N699 PolarHBondContact O-ND2 3.24Å; L659-N699 PolarHBondContact O-OD1 3.02Å; N699-N703 WeakPolarHBondContact O-CB 3.43Å; N699-N703 PolarHBondContact O-N 3.48Å
700A97.7Very high96.2Very high48 Ų4823.7 Ų23.740%0.39716%0.161SC..Hα-helixtrans-66.6-40.5175.900000112R636 G698 S704R636-A700 HydrophobicContact CB-CB 3.84Å; R636-A700 WeakPolarHBondContact O-CB 3.45Å; R636-A700 PolarHBondContact O-N 2.72Å; G698-A700 VanDerWaalsContact C-N 3.3Å; G698-A700 PolarHBondContact O-N 3.25Å; A700-S704 VanDerWaalsContact O-CB 3.31Å; A700-S704 WeakPolarHBondContact O-CB 3.43Å; A700-S704 PolarHBondContact O-N 3.31Å; A700-S704 VanDerWaalsContact O-N 3.15Å
701L98.1Very high95.8Very high35 Ų3526.9 Ų26.918%0.18320%0.199CC..Hα-helixtrans-71.1-47.1175-172.7150.3000110.1M697 G698 N703 S704 V705 L762 V766M697-L701 HydrophobicContact CB-CD2 4.33Å; M697-L701 HydrophobicContact CE-CD2 4.11Å; M697-L701 HydrophobicContact CG-CD2 4.24Å; M697-L701 WeakPolarHBondContact O-CB 3.48Å; G698-L701 PolarHBondContact O-N 3.38Å; G698-L701 VanDerWaalsContact O-N 3.13Å; L701-N703 PolarHBondContact O-N 3.13Å; L701-S704 WeakPolarHBondContact O-CB 3.5Å; L701-S704 PolarHBondContact O-N 3.25Å; L701-S704 VanDerWaalsContact O-N 3.11Å; L701-S704 PolarHBondContact O-OG 3.29Å; L701-V705 PolarHBondContact O-N 3.39Å; L701-L762 HydrophobicContact CD1-CD2 3.92Å; L701-L762 HydrophobicContact CD1-CG 4.05Å; L701-V766 HydrophobicContact CD2-CB 4.4Å; L701-V766 HydrophobicContact CD2-CG1 4.31Å; L701-V766 HydrophobicContact CD2-CG2 4.33Å
702A98Very high95.5Very high0 Ų030 Ų300%023%0.234CC..Hα-helixtrans-58.9-48.6-179.100000112.5I642 L656 A658 G698 S704 V705 W706I642-A702 HydrophobicContact CD1-CB 3.72Å; L656-A702 WeakPolarHBondContact O-CB 3.42Å; A658-A702 HydrophobicContact CB-CB 4.01Å; G698-A702 PolarHBondContact O-N 2.96Å; A702-S704 VanDerWaalsContact C-N 3.32Å; A702-S704 PolarHBondContact O-N 3.22Å; A702-V705 PolarHBondContact O-N 2.93Å; A702-V705 VanDerWaalsContact O-N 3.13Å; A702-W706 VanDerWaalsContact O-CD1 3.31Å; A702-W706 PolarHBondContact O-N 3.11Å
703N97.7Very high95.4Very high24 Ų2434.9 Ų34.913%0.12825%0.247CC..Hα-helixtrans-73.3-20.4176.3-77.7-9.5000113.3I642 N699 L701 V705 E707 G708 K715 K732I642-N703 HydrophobicContact CD1-CB 4.32Å; I642-N703 WeakPolarHBondContact CD1-OD1 3.34Å; I642-N703 WeakPolarHBondContact CG1-OD1 3.5Å; I642-N703 PolarHBondContact O-ND2 2.68Å; N699-N703 WeakPolarHBondContact O-CB 3.43Å; N699-N703 PolarHBondContact O-N 3.48Å; L701-N703 PolarHBondContact O-N 3.13Å; N703-V705 PolarHBondContact O-N 3.34Å; N703-V705 VanDerWaalsContact O-N 3.12Å; N703-E707 HydrophobicContact CB-CB 4.03Å; N703-E707 HydrophobicContact CB-CG 4.07Å; N703-E707 VanDerWaalsContact CG-OE2 3.23Å; N703-E707 VanDerWaalsContact ND2-CD 3.3Å; N703-E707 PolarHBondContact ND2-OE2 3.21Å; N703-E707 CarbonylContact O-C 3.53Å; N703-E707 VanDerWaalsContact O-C 3.27Å; N703-E707 VanDerWaalsContact O-CA 3.29Å; N703-E707 WeakPolarHBondContact O-CA 3.34Å; N703-E707 WeakPolarHBondContact O-CB 3.35Å; N703-E707 PolarHBondContact O-N 3.29Å; N703-G708 PolarHBondContact O-N 2.87Å; N703-K715 PolarHBondContact ND2-NZ 3.25Å; N703-K732 WeakPolarHBondContact OD1-CE 3.3Å; N703-K732 PolarHBondContact OD1-NZ 2.71Å
704S97.1Very high95.1Very high31 Ų3140 Ų4022%0.21728%0.283CS..Hα-helixtrans-66.2-8.5168.483.70000113.9A700 L701 A702 R763A700-S704 VanDerWaalsContact O-CB 3.31Å; A700-S704 WeakPolarHBondContact O-CB 3.43Å; A700-S704 PolarHBondContact O-N 3.31Å; A700-S704 VanDerWaalsContact O-N 3.15Å; L701-S704 WeakPolarHBondContact O-CB 3.5Å; L701-S704 PolarHBondContact O-N 3.25Å; L701-S704 VanDerWaalsContact O-N 3.11Å; L701-S704 PolarHBondContact O-OG 3.29Å; A702-S704 VanDerWaalsContact C-N 3.32Å; A702-S704 PolarHBondContact O-N 3.22Å; S704-R763 PolarHBondContact O-NH2 2.95Å; S704-R763 PolarHBondContact OG-NE 3.03Å
705V97.7Very high95.1Very high0 Ų042.2 Ų42.20%029%0.293CS..Hα-helixtrans-111.4-59.9171.5174.40000109.4L701 A702 N703 E707 G708 L739 A740 R763 V766 M767 A770L701-V705 PolarHBondContact O-N 3.39Å; A702-V705 PolarHBondContact O-N 2.93Å; A702-V705 VanDerWaalsContact O-N 3.13Å; N703-V705 PolarHBondContact O-N 3.34Å; N703-V705 VanDerWaalsContact O-N 3.12Å; V705-E707 PolarHBondContact O-N 3.25Å; V705-G708 PolarHBondContact O-N 2.92Å; V705-L739 HydrophobicContact CG1-CD1 3.48Å; V705-L739 VanDerWaalsContact CG1-CD1 3.48Å; V705-L739 CarbonylContact O-C 3.55Å; V705-A740 PolarHBondContact O-N 3.45Å; V705-R763 HydrophobicContact CG2-CG 4.23Å; V705-V766 HydrophobicContact CG1-CG1 4.49Å; V705-V766 HydrophobicContact CG2-CG1 4.27Å; V705-M767 HydrophobicContact CG1-CB 4.15Å; V705-M767 HydrophobicContact CG1-CG 4.44Å; V705-M767 HydrophobicContact CG2-CB 4.13Å; V705-A770 HydrophobicContact CG1-CB 4.17Å
706W97.8Very high95.1Very high12 Ų1240 Ų405%0.04528%0.28CS..Hα-helixtrans-78-8.3-173.7-66.5100.5000115.9L656 A702 K732 Y733 K736 L739 A770L656-W706 HydrophobicContact CD2-CZ2 3.77Å; A702-W706 VanDerWaalsContact O-CD1 3.31Å; A702-W706 PolarHBondContact O-N 3.11Å; W706-K732 HydrophobicContact CB-CG 4.35Å; W706-Y733 HydrophobicContact CB-CE1 4.08Å; W706-Y733 AromaticContact CD2-CD1 3.7Å; W706-Y733 HydrophobicContact CD2-CD1 3.7Å; W706-Y733 AromaticContact CD2-CE1 3.68Å; W706-Y733 HydrophobicContact CD2-CE1 3.68Å; W706-Y733 AromaticContact CE3-CD1 3.54Å; W706-Y733 HydrophobicContact CE3-CD1 3.54Å; W706-Y733 AromaticContact CE3-CE1 3.97Å; W706-Y733 HydrophobicContact CE3-CE1 3.97Å; W706-Y733 HydrophobicContact CG-CD1 4.25Å; W706-Y733 AromaticContact CG-CE1 3.74Å; W706-Y733 HydrophobicContact CG-CE1 3.74Å; W706-Y733 HydrophobicContact CH2-CD1 4.27Å; W706-Y733 HydrophobicContact CZ2-CD1 4.4Å; W706-Y733 AromaticContact CZ3-CD1 3.85Å; W706-Y733 HydrophobicContact CZ3-CD1 3.85Å; W706-K736 HydrophobicContact CZ3-CG 4.42Å; W706-L739 HydrophobicContact CD2-CD1 4.34Å; W706-L739 HydrophobicContact CE3-CD1 4.19Å; W706-A770 HydrophobicContact CH2-CB 3.96Å; W706-A770 HydrophobicContact CZ2-CB 3.61Å
707E97.2Very high95.1Very high27 Ų2739.7 Ų39.713%0.12628%0.28CS..THydrogen-bonded Turntrans-128.328.5169.1-59.2-177.5169.500109.5N703 V705 L710 K715 K732 F738N703-E707 HydrophobicContact CB-CB 4.03Å; N703-E707 HydrophobicContact CB-CG 4.07Å; N703-E707 VanDerWaalsContact CG-OE2 3.23Å; N703-E707 VanDerWaalsContact ND2-CD 3.3Å; N703-E707 PolarHBondContact ND2-OE2 3.21Å; N703-E707 CarbonylContact O-C 3.53Å; N703-E707 VanDerWaalsContact O-C 3.27Å; N703-E707 VanDerWaalsContact O-CA 3.29Å; N703-E707 WeakPolarHBondContact O-CA 3.34Å; N703-E707 WeakPolarHBondContact O-CB 3.35Å; N703-E707 PolarHBondContact O-N 3.29Å; V705-E707 PolarHBondContact O-N 3.25Å; E707-L710 HydrophobicContact CB-CD1 4.22Å; E707-L710 HydrophobicContact CB-CD2 4Å; E707-L710 HydrophobicContact CB-CG 4.02Å; E707-L710 HydrophobicContact CG-CD2 4.33Å; E707-L710 WeakPolarHBondContact O-CG 3.48Å; E707-K715 VanDerWaalsContact OE1-CE 3.29Å; E707-K715 WeakPolarHBondContact OE1-CE 3.32Å; E707-K715 IonicContact OE1-NZ 3.31Å; E707-K715 PolarHBondContact OE1-NZ 3.03Å; E707-K715 IonicContact OE2-NZ 3.87Å; E707-K715 PolarHBondContact OE2-NZ 2.85Å; E707-K715 VanDerWaalsContact OE2-NZ 3.16Å; E707-K732 HydrophobicContact CG-CD 4.23Å; E707-K732 WeakPolarHBondContact OE1-CE 3.43Å; E707-K732 IonicContact OE1-NZ 2.77Å; E707-K732 PolarHBondContact OE1-NZ 2.71Å; E707-F738 CarbonylContact C-O 3.51Å
708G94.9Very high95.1Very high42 Ų4242 Ų4243%0.43330%0.296SS..THydrogen-bonded Turntrans-75.7-21.3-17800000114.6N703 V705 F738N703-G708 PolarHBondContact O-N 2.87Å; V705-G708 PolarHBondContact O-N 2.92Å; G708-F738 PolarHBondContact N-O 3.05Å; G708-F738 VanDerWaalsContact N-O 3.08Å
709A93.8Very high95Very high40 Ų4049.9 Ų49.933%0.33134%0.338SS..THydrogen-bonded Turntrans-125.142.8-177.300000112.6G711 F738 L739A709-G711 PolarHBondContact O-N 2.87Å; A709-F738 PolarHBondContact N-O 3.19Å; A709-L739 WeakPolarHBondContact CB-O 3.38Å
710L91.4Very high94.9Very high56 Ų5650.3 Ų50.329%0.29334%0.343SS..  trans-56-31.2-178.2-74.9178.6000115E707 G712 Y713 W728 F738E707-L710 HydrophobicContact CB-CD1 4.22Å; E707-L710 HydrophobicContact CB-CD2 4Å; E707-L710 HydrophobicContact CB-CG 4.02Å; E707-L710 HydrophobicContact CG-CD2 4.33Å; E707-L710 WeakPolarHBondContact O-CG 3.48Å; L710-G712 PolarHBondContact O-N 2.81Å; L710-Y713 WeakPolarHBondContact O-CB 3.4Å; L710-Y713 WeakPolarHBondContact O-CD2 3.26Å; L710-Y713 PolarHBondContact O-N 2.88Å; L710-W728 HydrophobicContact CD2-CH2 3.52Å; L710-W728 HydrophobicContact CD2-CZ2 3.84Å; L710-F738 HydrophobicContact CD2-CB 4.16Å; L710-F738 HydrophobicContact CD2-CD2 4.38Å; L710-F738 HydrophobicContact CD2-CG 4.12Å
711G85.3Confident94.8Very high86 Ų8650.4 Ų50.489%0.88734%0.34SS*.THydrogen-bonded Turntrans55.9-107.8-178.900000112.5A709A709-G711 PolarHBondContact O-N 2.87Å
712G87.3Confident94.7Very high80 Ų8054.8 Ų54.883%0.82535%0.354SS*.THydrogen-bonded Turntrans-109.75.1175.400000115.3L710L710-G712 PolarHBondContact O-N 2.81Å
713Y91.7Very high94.6Very high131 Ų13160.2 Ų60.251%0.51438%0.379SS..PPolyproline II helixtrans-78.9127.1-177.8-66.9-77000111.8L710 L737 F738L710-Y713 WeakPolarHBondContact O-CB 3.4Å; L710-Y713 WeakPolarHBondContact O-CD2 3.26Å; L710-Y713 PolarHBondContact O-N 2.88Å; Y713-L737 HydrophobicContact CE1-CD2 4.29Å; Y713-L737 HydrophobicContact CE2-CD2 4.13Å; Y713-L737 HydrophobicContact CE2-CG 4.25Å; Y713-F738 HydrophobicContact CD1-CE1 4.07Å; Y713-F738 AromaticContact CD2-CD1 3.87Å; Y713-F738 HydrophobicContact CD2-CD1 3.87Å; Y713-F738 AromaticContact CD2-CE1 3.51Å; Y713-F738 HydrophobicContact CD2-CE1 3.51Å; Y713-F738 HydrophobicContact CE2-CD1 4.48Å; Y713-F738 HydrophobicContact CE2-CE1 4.07Å; Y713-F738 HydrophobicContact CG-CD1 4.23Å; Y713-F738 AromaticContact CG-CE1 3.51Å; Y713-F738 HydrophobicContact CG-CE1 3.51Å; Y713-F738 HydrophobicContact CG-CZ 4.28Å
714S91.8Very high94.5Very high108 Ų10863.1 Ų63.176%0.75539%0.392SS*.PPolyproline II helixtrans-93.7124.5178.450.70000112.3W728S714-W728 VanDerWaalsContact C-CZ3 3.42Å; S714-W728 VanDerWaalsContact O-CZ3 3.26Å; S714-W728 WeakPolarHBondContact O-CZ3 3.49Å
715K95.6Very high94.6Very high47 Ų4762 Ų6220%0.20438%0.383CS..PPolyproline II helixtrans-63.8137.3176.6-170.3173.7-176.5179.40111.5I642 D643 D645 N703 E707 W728I642-K715 VanDerWaalsContact O-CE 3.27Å; I642-K715 WeakPolarHBondContact O-CE 3.35Å; I642-K715 PolarHBondContact O-NZ 3.5Å; D643-K715 WeakPolarHBondContact O-CE 3.49Å; D645-K715 WeakPolarHBondContact OD1-CE 3.28Å; D645-K715 IonicContact OD1-NZ 2.65Å; D645-K715 PolarHBondContact OD1-NZ 2.89Å; D645-K715 WeakPolarHBondContact OD2-CD 3.41Å; D645-K715 WeakPolarHBondContact OD2-CE 3.44Å; D645-K715 IonicContact OD2-NZ 2.9Å; D645-K715 PolarHBondContact OD2-NZ 2.84Å; N703-K715 PolarHBondContact ND2-NZ 3.25Å; E707-K715 VanDerWaalsContact OE1-CE 3.29Å; E707-K715 WeakPolarHBondContact OE1-CE 3.32Å; E707-K715 IonicContact OE1-NZ 3.31Å; E707-K715 PolarHBondContact OE1-NZ 3.03Å; E707-K715 IonicContact OE2-NZ 3.87Å; E707-K715 PolarHBondContact OE2-NZ 2.85Å; E707-K715 VanDerWaalsContact OE2-NZ 3.16Å; K715-W728 VanDerWaalsContact CA-CH2 3.43Å; K715-W728 HydrophobicContact CB-CH2 3.76Å; K715-W728 HydrophobicContact CB-CZ2 3.63Å; K715-W728 HydrophobicContact CB-CZ3 4.42Å; K715-W728 HydrophobicContact CD-CZ2 4.31Å; K715-W728 HydrophobicContact CG-CH2 4.32Å; K715-W728 HydrophobicContact CG-CZ2 3.68Å
716P96.6Very high94.6Very high16 Ų1664 Ų6410%0.10439%0.393CS..PPolyproline II helixtrans-67.1140.9177.227.8-34.8000111C644 A720 K725 W728C644-P716 CarbonylContact C-O 3.51Å; C644-P716 WeakPolarHBondContact CA-O 3.23Å; C644-P716 HydrophobicContact CB-CG 4.37Å; C644-P716 WeakPolarHBondContact CB-O 3.3Å; P716-A720 HydrophobicContact CB-CB 3.63Å; P716-K725 HydrophobicContact CB-CG 4.31Å; P716-K725 HydrophobicContact CG-CG 4.37Å; P716-W728 HydrophobicContact CG-CB 3.77Å; P716-W728 HydrophobicContact CG-CD2 4.31Å; P716-W728 HydrophobicContact CG-CG 3.78Å
717G95.9Very high94.6Very high37 Ų3770.6 Ų70.638%0.38142%0.418SS..  trans-78176.1174.700000113.7C644 D719 A720C644-G717 CarbonylContact O-C 3.52Å; G717-D719 PolarHBondContact O-N 2.76Å; G717-A720 VanDerWaalsContact O-CB 3.23Å; G717-A720 WeakPolarHBondContact O-CB 3.24Å; G717-A720 PolarHBondContact O-N 2.93Å; G717-A720 VanDerWaalsContact O-N 3.11Å
718P96.3Very high94.6Very high57 Ų5770.1 Ų70.137%0.3742%0.415SS..THydrogen-bonded Turntrans-57.6-37178.3-25.334.5000113C644 A646 K725C644-P718 WeakPolarHBondContact O-CD 3.21Å; C644-P718 VanDerWaalsContact O-N 3.16Å; A646-P718 HydrophobicContact CB-CB 4.04Å; A646-P718 HydrophobicContact CB-CG 4.44Å; P718-K725 WeakPolarHBondContact O-CE 3.29Å; P718-K725 PolarHBondContact O-NZ 2.88Å
719D95.1Very high94.8Very high164 Ų16468.1 Ų68.188%0.87739%0.394SS*.THydrogen-bonded Turntrans-87.70.6-178.5-54.7-67.4000114.2G717G717-D719 PolarHBondContact O-N 2.76Å
720A96Very high94.9Very high16 Ų1669.4 Ų69.413%0.13239%0.39CS..SBendtrans-62151.517800000111.7P716 G717 E724 K725P716-A720 HydrophobicContact CB-CB 3.63Å; G717-A720 VanDerWaalsContact O-CB 3.23Å; G717-A720 WeakPolarHBondContact O-CB 3.24Å; G717-A720 PolarHBondContact O-N 2.93Å; G717-A720 VanDerWaalsContact O-N 3.11Å; A720-E724 HydrophobicContact CB-CB 4.34Å; A720-K725 HydrophobicContact CB-CG 4.4Å; A720-K725 VanDerWaalsContact O-CE 3.24Å; A720-K725 WeakPolarHBondContact O-CE 3.29Å; A720-K725 PolarHBondContact O-NZ 2.71Å
721C95.9Very high95.2Very high49 Ų4967.3 Ų67.333%0.33138%0.381SS..  trans-69.8161.3-177.973.90000111.7E723 E724 K725C721-E723 WeakPolarHBondContact CB-OE2 3.39Å; C721-E723 PolarHBondContact O-N 2.93Å; C721-E723 PolarHBondContact SG-OE2 2.96Å; C721-E723 VanDerWaalsContact SG-OE2 3.4Å; C721-E724 PolarHBondContact N-OE2 3.43Å; C721-E724 VanDerWaalsContact N-OE2 3.16Å; C721-E724 PolarHBondContact O-N 2.78Å; C721-E724 VanDerWaalsContact O-N 3.16Å; C721-E724 VanDerWaalsContact SG-CD 3.52Å; C721-E724 WeakPolarHBondContact SG-CG 3.35Å; C721-E724 PolarHBondContact SG-N 3.34Å; C721-E724 VanDerWaalsContact SG-N 3.4Å; C721-K725 PolarHBondContact O-N 2.93Å
722R95Very high95.8Very high128 Ų12863.2 Ų63.248%0.48334%0.339SS..Hα-helixtrans-59.9-35.2-179-178-176.2164.2-154.6-13.4110.9I667 E724 K725 E726I667-R722 HydrophobicContact CD1-CG 4.34Å; R722-E724 VanDerWaalsContact C-N 3.34Å; R722-K725 PolarHBondContact O-N 2.83Å; R722-E726 IonicContact NH2-OE2 3.22Å; R722-E726 PolarHBondContact NH2-OE2 2.94Å; R722-E726 WeakPolarHBondContact O-CB 3.05Å; R722-E726 PolarHBondContact O-N 3.21Å
723E95.9Very high96.3Very high113 Ų11359.5 Ų59.553%0.52830%0.3SS..Hα-helixtrans-71.8-28.2-177.5-58.666.8-146.300111.9C721 R727C721-E723 WeakPolarHBondContact CB-OE2 3.39Å; C721-E723 PolarHBondContact O-N 2.93Å; C721-E723 PolarHBondContact SG-OE2 2.96Å; C721-E723 VanDerWaalsContact SG-OE2 3.4Å; E723-R727 WeakPolarHBondContact O-CG 3.33Å; E723-R727 PolarHBondContact O-N 3.25Å; E723-R727 PolarHBondContact O-NE 2.92Å; E723-R727 PolarHBondContact O-NH2 3.21Å
724E96.8Very high96.5Very high86 Ų8657.3 Ų57.340%0.40229%0.294SS..Hα-helixtrans-75.8-46.8171-76.2164.8171.900111A720 C721 R722 E726 R727 W728A720-E724 HydrophobicContact CB-CB 4.34Å; C721-E724 PolarHBondContact N-OE2 3.43Å; C721-E724 VanDerWaalsContact N-OE2 3.16Å; C721-E724 PolarHBondContact O-N 2.78Å; C721-E724 VanDerWaalsContact O-N 3.16Å; C721-E724 VanDerWaalsContact SG-CD 3.52Å; C721-E724 WeakPolarHBondContact SG-CG 3.35Å; C721-E724 PolarHBondContact SG-N 3.34Å; C721-E724 VanDerWaalsContact SG-N 3.4Å; R722-E724 VanDerWaalsContact C-N 3.34Å; E724-E726 VanDerWaalsContact C-N 3.28Å; E724-E726 PolarHBondContact O-N 2.81Å; E724-R727 VanDerWaalsContact CG-NH2 3.25Å; E724-R727 PolarHBondContact O-N 3.43Å; E724-W728 PolarHBondContact O-N 3.13Å
725K98Very high96.7Very high6 Ų658 Ų583%0.02629%0.286CS..Hα-helixtrans-58.6-39.1174.4-71.2164.3174.4153.20111.6C644 E663 I667 P716 P718 A720 C721 R722 I729C644-K725 HydrophobicContact CB-CG 4.4Å; E663-K725 IonicContact OE2-NZ 2.87Å; E663-K725 PolarHBondContact OE2-NZ 3.11Å; I667-K725 HydrophobicContact CD1-CB 3.67Å; P716-K725 HydrophobicContact CB-CG 4.31Å; P716-K725 HydrophobicContact CG-CG 4.37Å; P718-K725 WeakPolarHBondContact O-CE 3.29Å; P718-K725 PolarHBondContact O-NZ 2.88Å; A720-K725 HydrophobicContact CB-CG 4.4Å; A720-K725 VanDerWaalsContact O-CE 3.24Å; A720-K725 WeakPolarHBondContact O-CE 3.29Å; A720-K725 PolarHBondContact O-NZ 2.71Å; C721-K725 PolarHBondContact O-N 2.93Å; R722-K725 PolarHBondContact O-N 2.83Å; K725-I729 WeakPolarHBondContact O-CB 3.46Å; K725-I729 WeakPolarHBondContact O-CD1 3.25Å; K725-I729 VanDerWaalsContact O-CG1 3.24Å; K725-I729 WeakPolarHBondContact O-CG1 3.48Å; K725-I729 PolarHBondContact O-N 3.39Å
726E97.8Very high96.7Very high42 Ų4259.8 Ų59.820%0.19629%0.293CS..Hα-helixtrans-70.7-43.3177.9-177.4156.8174.900112.3I667 R722 E724 W728 I729 R730I667-E726 HydrophobicContact CD1-CB 4.07Å; I667-E726 HydrophobicContact CG1-CB 4.31Å; I667-E726 HydrophobicContact CG2-CB 4.02Å; I667-E726 HydrophobicContact CG2-CG 3.88Å; R722-E726 IonicContact NH2-OE2 3.22Å; R722-E726 PolarHBondContact NH2-OE2 2.94Å; R722-E726 WeakPolarHBondContact O-CB 3.05Å; R722-E726 PolarHBondContact O-N 3.21Å; E724-E726 VanDerWaalsContact C-N 3.28Å; E724-E726 PolarHBondContact O-N 2.81Å; E726-W728 VanDerWaalsContact C-N 3.32Å; E726-W728 PolarHBondContact O-N 2.82Å; E726-I729 PolarHBondContact O-N 2.91Å; E726-R730 HydrophobicContact CG-CG 4.35Å; E726-R730 WeakPolarHBondContact O-CB 3.37Å; E726-R730 WeakPolarHBondContact O-CG 3.21Å; E726-R730 PolarHBondContact O-N 3.03Å; E726-R730 IonicContact OE1-CZ 2.95Å; E726-R730 IonicContact OE1-NE 3.85Å; E726-R730 PolarHBondContact OE1-NE 2.79Å; E726-R730 IonicContact OE1-NH2 2.86Å; E726-R730 PolarHBondContact OE1-NH2 3.4Å
727R97.4Very high96.7Very high152 Ų15262.7 Ų62.757%0.57431%0.308SS*.Hα-helixtrans-57.8-43.7172.3-83.5174.2-78139-9.2112.2E723 E724 A731E723-R727 WeakPolarHBondContact O-CG 3.33Å; E723-R727 PolarHBondContact O-N 3.25Å; E723-R727 PolarHBondContact O-NE 2.92Å; E723-R727 PolarHBondContact O-NH2 3.21Å; E724-R727 VanDerWaalsContact CG-NH2 3.25Å; E724-R727 PolarHBondContact O-N 3.43Å; R727-A731 VanDerWaalsContact O-CB 3.3Å; R727-A731 WeakPolarHBondContact O-CB 3.11Å; R727-A731 PolarHBondContact O-N 2.95Å
728W98Very high96.7Very high16 Ų1661 Ų616%0.06129%0.29CS..Hα-helixtrans-62-50.3176-176.9-100.1000112.6L710 S714 K715 P716 E724 E726 R730 A731 K732 F738L710-W728 HydrophobicContact CD2-CH2 3.52Å; L710-W728 HydrophobicContact CD2-CZ2 3.84Å; S714-W728 VanDerWaalsContact C-CZ3 3.42Å; S714-W728 VanDerWaalsContact O-CZ3 3.26Å; S714-W728 WeakPolarHBondContact O-CZ3 3.49Å; K715-W728 VanDerWaalsContact CA-CH2 3.43Å; K715-W728 HydrophobicContact CB-CH2 3.76Å; K715-W728 HydrophobicContact CB-CZ2 3.63Å; K715-W728 HydrophobicContact CB-CZ3 4.42Å; K715-W728 HydrophobicContact CD-CZ2 4.31Å; K715-W728 HydrophobicContact CG-CH2 4.32Å; K715-W728 HydrophobicContact CG-CZ2 3.68Å; P716-W728 HydrophobicContact CG-CB 3.77Å; P716-W728 HydrophobicContact CG-CD2 4.31Å; P716-W728 HydrophobicContact CG-CG 3.78Å; E724-W728 PolarHBondContact O-N 3.13Å; E726-W728 VanDerWaalsContact C-N 3.32Å; E726-W728 PolarHBondContact O-N 2.82Å; W728-R730 VanDerWaalsContact C-N 3.34Å; W728-R730 PolarHBondContact O-N 3.01Å; W728-A731 PolarHBondContact O-N 3.18Å; W728-K732 WeakPolarHBondContact O-CB 3.26Å; W728-K732 PolarHBondContact O-N 3.05Å; W728-F738 AromaticContact CD2-CE2 3.79Å; W728-F738 HydrophobicContact CD2-CE2 3.79Å; W728-F738 HydrophobicContact CD2-CZ 4.36Å; W728-F738 AromaticContact CE2-CE2 3.85Å; W728-F738 AromaticContact CE3-CE2 3.74Å; W728-F738 HydrophobicContact CE3-CE2 3.74Å; W728-F738 AromaticContact CE3-CZ 3.85Å; W728-F738 HydrophobicContact CE3-CZ 3.85Å; W728-F738 HydrophobicContact CH2-CD2 4.25Å; W728-F738 AromaticContact CH2-CE2 3.89Å; W728-F738 HydrophobicContact CH2-CE2 3.89Å; W728-F738 HydrophobicContact CH2-CZ 4.22Å; W728-F738 HydrophobicContact CZ2-CD2 4.1Å; W728-F738 AromaticContact CZ2-CE2 3.9Å; W728-F738 HydrophobicContact CZ2-CE2 3.9Å; W728-F738 AromaticContact CZ3-CE2 3.79Å; W728-F738 HydrophobicContact CZ3-CE2 3.79Å; W728-F738 AromaticContact CZ3-CZ 3.78Å; W728-F738 HydrophobicContact CZ3-CZ 3.78Å
729I98.3Very high96.7Very high0 Ų058.9 Ų58.90%028%0.275CS..Hα-helixtrans-64.4-38.2-176.5-75.3169.1000111.4D643 C664 I667 L671 K725 E726 Y733D643-I729 HydrophobicContact CB-CD1 3.98Å; D643-I729 HydrophobicContact CB-CG1 3.83Å; C664-I729 HydrophobicContact CB-CD1 3.87Å; I667-I729 HydrophobicContact CB-CD1 3.99Å; I667-I729 HydrophobicContact CD1-CD1 3.94Å; I667-I729 HydrophobicContact CG2-CB 3.99Å; I667-I729 HydrophobicContact CG2-CD1 4Å; I667-I729 HydrophobicContact CG2-CG2 3.68Å; L671-I729 HydrophobicContact CD1-CG2 3.78Å; L671-I729 HydrophobicContact CD2-CG2 4.46Å; L671-I729 HydrophobicContact CG-CG2 4.35Å; K725-I729 WeakPolarHBondContact O-CB 3.46Å; K725-I729 WeakPolarHBondContact O-CD1 3.25Å; K725-I729 VanDerWaalsContact O-CG1 3.24Å; K725-I729 WeakPolarHBondContact O-CG1 3.48Å; K725-I729 PolarHBondContact O-N 3.39Å; E726-I729 PolarHBondContact O-N 2.91Å; I729-Y733 HydrophobicContact CG2-CD2 4.1Å; I729-Y733 WeakPolarHBondContact O-CD2 3.42Å; I729-Y733 PolarHBondContact O-N 2.84Å
730R97.7Very high96.8Very high68 Ų6851.5 Ų51.526%0.25724%0.237SC..Iπ-helixtrans-66.8-49.6173.2-69.2-176.1178.1-79.5-0.8112L671 E726 W728 K732 Y733 E734 Q735L671-R730 HydrophobicContact CD2-CG 4.01Å; E726-R730 HydrophobicContact CG-CG 4.35Å; E726-R730 WeakPolarHBondContact O-CB 3.37Å; E726-R730 WeakPolarHBondContact O-CG 3.21Å; E726-R730 PolarHBondContact O-N 3.03Å; E726-R730 IonicContact OE1-CZ 2.95Å; E726-R730 IonicContact OE1-NE 3.85Å; E726-R730 PolarHBondContact OE1-NE 2.79Å; E726-R730 IonicContact OE1-NH2 2.86Å; E726-R730 PolarHBondContact OE1-NH2 3.4Å; W728-R730 VanDerWaalsContact C-N 3.34Å; W728-R730 PolarHBondContact O-N 3.01Å; R730-K732 PolarHBondContact O-N 3.48Å; R730-Y733 PolarHBondContact O-N 3.21Å; R730-E734 HydrophobicContact CB-CB 4.48Å; R730-E734 WeakPolarHBondContact CB-OE2 3.26Å; R730-E734 WeakPolarHBondContact CD-OE2 3.24Å; R730-E734 WeakPolarHBondContact CG-OE2 3.42Å; R730-E734 IonicContact CZ-OE2 2.79Å; R730-E734 IonicContact NE-OE2 2.85Å; R730-E734 IonicContact NH1-OE1 3.87Å; R730-E734 PolarHBondContact NH1-OE1 2.91Å; R730-E734 IonicContact NH1-OE2 2.68Å; R730-E734 PolarHBondContact NH1-OE2 3.08Å; R730-E734 WeakPolarHBondContact O-CA 3.28Å; R730-E734 VanDerWaalsContact O-CB 3.3Å; R730-E734 WeakPolarHBondContact O-CB 3.18Å; R730-E734 PolarHBondContact O-N 2.89Å; R730-Q735 PolarHBondContact O-N 3.1Å
731A97.2Very high96.7Very high11 Ų1155.3 Ų55.39%0.09126%0.26CS..Iπ-helixtrans-54.2-43.5175.300000112R727 W728 Q735 K736 L737 F738R727-A731 VanDerWaalsContact O-CB 3.3Å; R727-A731 WeakPolarHBondContact O-CB 3.11Å; R727-A731 PolarHBondContact O-N 2.95Å; W728-A731 PolarHBondContact O-N 3.18Å; A731-Q735 CarbonylContact O-C 3.5Å; A731-K736 PolarHBondContact O-N 3.24Å; A731-L737 HydrophobicContact CB-CB 4.36Å; A731-L737 HydrophobicContact CB-CD2 4.1Å; A731-L737 VanDerWaalsContact O-CB 3.23Å; A731-L737 WeakPolarHBondContact O-CB 3.19Å; A731-L737 PolarHBondContact O-N 3.3Å; A731-F738 HydrophobicContact CB-CE1 4.4Å; A731-F738 HydrophobicContact CB-CE2 3.95Å; A731-F738 HydrophobicContact CB-CZ 3.6Å
732K97.7Very high96.6Very high0 Ų056.1 Ų56.10%026%0.261CS..Iπ-helixtrans-68.5-49.7-177.7-173.8169.9175.2-174.70114.2I642 D643 N703 W706 E707 W728 R730 K736 F738I642-K732 PolarHBondContact O-NZ 3.03Å; I642-K732 VanDerWaalsContact O-NZ 3.11Å; D643-K732 IonicContact OD1-NZ 2.95Å; D643-K732 PolarHBondContact OD1-NZ 2.98Å; N703-K732 WeakPolarHBondContact OD1-CE 3.3Å; N703-K732 PolarHBondContact OD1-NZ 2.71Å; W706-K732 HydrophobicContact CB-CG 4.35Å; E707-K732 HydrophobicContact CG-CD 4.23Å; E707-K732 WeakPolarHBondContact OE1-CE 3.43Å; E707-K732 IonicContact OE1-NZ 2.77Å; E707-K732 PolarHBondContact OE1-NZ 2.71Å; W728-K732 WeakPolarHBondContact O-CB 3.26Å; W728-K732 PolarHBondContact O-N 3.05Å; R730-K732 PolarHBondContact O-N 3.48Å; K732-K736 WeakPolarHBondContact O-CA 3.47Å; K732-F738 HydrophobicContact CB-CD2 3.79Å; K732-F738 HydrophobicContact CB-CE2 3.92Å; K732-F738 HydrophobicContact CG-CD2 4.09Å
733Y97.8Very high96.3Very high3 Ų353 Ų531%0.01226%0.257CS..Iπ-helixtrans-109.7-33.2-168.3-61-69.8000115.1I642 D643 L656 H668 W706 I729 R730I642-Y733 WeakPolarHBondContact CG1-OH 3.34Å; D643-Y733 VanDerWaalsContact OD1-CE2 3.27Å; D643-Y733 WeakPolarHBondContact OD1-CE2 3.17Å; D643-Y733 PolarHBondContact OD1-OH 2.66Å; L656-Y733 HydrophobicContact CD1-CD1 3.9Å; L656-Y733 HydrophobicContact CD1-CE1 3.53Å; L656-Y733 HydrophobicContact CD2-CD1 4.15Å; L656-Y733 HydrophobicContact CD2-CE1 4.05Å; L656-Y733 HydrophobicContact CG-CE1 4.38Å; H668-Y733 AromaticContact CE1-CD1 3.73Å; H668-Y733 AromaticContact CE1-CD2 2.87Å; H668-Y733 WeakPolarHBondContact CE1-CD2 3.33Å; H668-Y733 AromaticContact CE1-CE1 3.51Å; H668-Y733 AromaticContact CE1-CE2 2.58Å; H668-Y733 WeakPolarHBondContact CE1-CE2 3.45Å; H668-Y733 AromaticContact CE1-CG 3.43Å; H668-Y733 VanDerWaalsContact CE1-CG 3.43Å; H668-Y733 AromaticContact CE1-CZ 2.93Å; H668-Y733 AromaticContact NE2-CD2 3.91Å; H668-Y733 AromaticContact NE2-CE2 3.14Å; H668-Y733 WeakPolarHBondContact NE2-CE2 3.43Å; H668-Y733 AromaticContact NE2-CZ 3.88Å; W706-Y733 HydrophobicContact CB-CE1 4.08Å; W706-Y733 AromaticContact CD2-CD1 3.7Å; W706-Y733 HydrophobicContact CD2-CD1 3.7Å; W706-Y733 AromaticContact CD2-CE1 3.68Å; W706-Y733 HydrophobicContact CD2-CE1 3.68Å; W706-Y733 AromaticContact CE3-CD1 3.54Å; W706-Y733 HydrophobicContact CE3-CD1 3.54Å; W706-Y733 AromaticContact CE3-CE1 3.97Å; W706-Y733 HydrophobicContact CE3-CE1 3.97Å; W706-Y733 HydrophobicContact CG-CD1 4.25Å; W706-Y733 AromaticContact CG-CE1 3.74Å; W706-Y733 HydrophobicContact CG-CE1 3.74Å; W706-Y733 HydrophobicContact CH2-CD1 4.27Å; W706-Y733 HydrophobicContact CZ2-CD1 4.4Å; W706-Y733 AromaticContact CZ3-CD1 3.85Å; W706-Y733 HydrophobicContact CZ3-CD1 3.85Å; I729-Y733 HydrophobicContact CG2-CD2 4.1Å; I729-Y733 WeakPolarHBondContact O-CD2 3.42Å; I729-Y733 PolarHBondContact O-N 2.84Å; R730-Y733 PolarHBondContact O-N 3.21Å
734E95.5Very high95.8Very high85 Ų8553.8 Ų53.840%0.39728%0.275SS..Iπ-helixtrans-87.1-42.2-178.8-174.9174-124.800110.3L675 R730L675-E734 HydrophobicContact CD1-CB 4.01Å; L675-E734 HydrophobicContact CD1-CG 4.19Å; R730-E734 HydrophobicContact CB-CB 4.48Å; R730-E734 WeakPolarHBondContact CB-OE2 3.26Å; R730-E734 WeakPolarHBondContact CD-OE2 3.24Å; R730-E734 WeakPolarHBondContact CG-OE2 3.42Å; R730-E734 IonicContact CZ-OE2 2.79Å; R730-E734 IonicContact NE-OE2 2.85Å; R730-E734 IonicContact NH1-OE1 3.87Å; R730-E734 PolarHBondContact NH1-OE1 2.91Å; R730-E734 IonicContact NH1-OE2 2.68Å; R730-E734 PolarHBondContact NH1-OE2 3.08Å; R730-E734 WeakPolarHBondContact O-CA 3.28Å; R730-E734 VanDerWaalsContact O-CB 3.3Å; R730-E734 WeakPolarHBondContact O-CB 3.18Å; R730-E734 PolarHBondContact O-N 2.89Å
735Q95.8Very high95.4Very high123 Ų12352.6 Ų52.658%0.57528%0.276SS*.SBendtrans-96.5-6179.5-55.7171.4-5.400113.5R730 A731 L737R730-Q735 PolarHBondContact O-N 3.1Å; A731-Q735 CarbonylContact O-C 3.5Å; Q735-L737 PolarHBondContact O-N 3.1Å
736K96.3Very high95.1Very high84 Ų8460.8 Ų60.837%0.36532%0.32SS..  trans52.522.3-177.8-52.7-173.8-174.8-171.60115W706 A731 K732 F738 L739 A770 H771W706-K736 HydrophobicContact CZ3-CG 4.42Å; A731-K736 PolarHBondContact O-N 3.24Å; K732-K736 WeakPolarHBondContact O-CA 3.47Å; K736-F738 VanDerWaalsContact C-N 3.26Å; K736-F738 PolarHBondContact O-N 2.96Å; K736-F738 VanDerWaalsContact O-N 3.09Å; K736-L739 HydrophobicContact CB-CB 4.23Å; K736-L739 HydrophobicContact CB-CD2 4.09Å; K736-L739 HydrophobicContact CD-CD2 3.98Å; K736-L739 HydrophobicContact CG-CD2 4.4Å; K736-L739 WeakPolarHBondContact O-CB 3.47Å; K736-L739 PolarHBondContact O-N 3.31Å; K736-L739 VanDerWaalsContact O-N 3.07Å; K736-A770 VanDerWaalsContact CE-O 3.31Å; K736-A770 WeakPolarHBondContact CE-O 3.33Å; K736-A770 PolarHBondContact NZ-O 3.26Å; K736-H771 PolarHBondContact NZ-O 2.73Å
737L95.8Very high94.8Very high77 Ų7762 Ų6240%0.40333%0.331SS..THydrogen-bonded Turntrans-63.2-23.7-164.1-172.360.1000114.9Y713 A731 Q735Y713-L737 HydrophobicContact CE1-CD2 4.29Å; Y713-L737 HydrophobicContact CE2-CD2 4.13Å; Y713-L737 HydrophobicContact CE2-CG 4.25Å; A731-L737 HydrophobicContact CB-CB 4.36Å; A731-L737 HydrophobicContact CB-CD2 4.1Å; A731-L737 VanDerWaalsContact O-CB 3.23Å; A731-L737 WeakPolarHBondContact O-CB 3.19Å; A731-L737 PolarHBondContact O-N 3.3Å; Q735-L737 PolarHBondContact O-N 3.1Å
738F96.7Very high94.6Very high2 Ų258.2 Ų58.21%0.00933%0.326CS..THydrogen-bonded Turntrans-111.710.2-178.7-38.5-45.3000113E707 G708 A709 L710 Y713 W728 A731 K732 K736E707-F738 CarbonylContact C-O 3.51Å; G708-F738 PolarHBondContact N-O 3.05Å; G708-F738 VanDerWaalsContact N-O 3.08Å; A709-F738 PolarHBondContact N-O 3.19Å; L710-F738 HydrophobicContact CD2-CB 4.16Å; L710-F738 HydrophobicContact CD2-CD2 4.38Å; L710-F738 HydrophobicContact CD2-CG 4.12Å; Y713-F738 HydrophobicContact CD1-CE1 4.07Å; Y713-F738 AromaticContact CD2-CD1 3.87Å; Y713-F738 HydrophobicContact CD2-CD1 3.87Å; Y713-F738 AromaticContact CD2-CE1 3.51Å; Y713-F738 HydrophobicContact CD2-CE1 3.51Å; Y713-F738 HydrophobicContact CE2-CD1 4.48Å; Y713-F738 HydrophobicContact CE2-CE1 4.07Å; Y713-F738 HydrophobicContact CG-CD1 4.23Å; Y713-F738 AromaticContact CG-CE1 3.51Å; Y713-F738 HydrophobicContact CG-CE1 3.51Å; Y713-F738 HydrophobicContact CG-CZ 4.28Å; W728-F738 AromaticContact CD2-CE2 3.79Å; W728-F738 HydrophobicContact CD2-CE2 3.79Å; W728-F738 HydrophobicContact CD2-CZ 4.36Å; W728-F738 AromaticContact CE2-CE2 3.85Å; W728-F738 AromaticContact CE3-CE2 3.74Å; W728-F738 HydrophobicContact CE3-CE2 3.74Å; W728-F738 AromaticContact CE3-CZ 3.85Å; W728-F738 HydrophobicContact CE3-CZ 3.85Å; W728-F738 HydrophobicContact CH2-CD2 4.25Å; W728-F738 AromaticContact CH2-CE2 3.89Å; W728-F738 HydrophobicContact CH2-CE2 3.89Å; W728-F738 HydrophobicContact CH2-CZ 4.22Å; W728-F738 HydrophobicContact CZ2-CD2 4.1Å; W728-F738 AromaticContact CZ2-CE2 3.9Å; W728-F738 HydrophobicContact CZ2-CE2 3.9Å; W728-F738 AromaticContact CZ3-CE2 3.79Å; W728-F738 HydrophobicContact CZ3-CE2 3.79Å; W728-F738 AromaticContact CZ3-CZ 3.78Å; W728-F738 HydrophobicContact CZ3-CZ 3.78Å; A731-F738 HydrophobicContact CB-CE1 4.4Å; A731-F738 HydrophobicContact CB-CE2 3.95Å; A731-F738 HydrophobicContact CB-CZ 3.6Å; K732-F738 HydrophobicContact CB-CD2 3.79Å; K732-F738 HydrophobicContact CB-CE2 3.92Å; K732-F738 HydrophobicContact CG-CD2 4.09Å; K736-F738 VanDerWaalsContact C-N 3.26Å; K736-F738 PolarHBondContact O-N 2.96Å; K736-F738 VanDerWaalsContact O-N 3.09Å
739L96.8Very high94.4Very high12 Ų1258.2 Ų58.26%0.06333%0.327CS..PPolyproline II helixtrans-67.8133.7-175-176.459.3000111.1V705 W706 A709 K736 A770 H771V705-L739 HydrophobicContact CG1-CD1 3.48Å; V705-L739 VanDerWaalsContact CG1-CD1 3.48Å; V705-L739 CarbonylContact O-C 3.55Å; W706-L739 HydrophobicContact CD2-CD1 4.34Å; W706-L739 HydrophobicContact CE3-CD1 4.19Å; A709-L739 WeakPolarHBondContact CB-O 3.38Å; K736-L739 HydrophobicContact CB-CB 4.23Å; K736-L739 HydrophobicContact CB-CD2 4.09Å; K736-L739 HydrophobicContact CD-CD2 3.98Å; K736-L739 HydrophobicContact CG-CD2 4.4Å; K736-L739 WeakPolarHBondContact O-CB 3.47Å; K736-L739 PolarHBondContact O-N 3.31Å; K736-L739 VanDerWaalsContact O-N 3.07Å; L739-A770 HydrophobicContact CD1-CB 3.69Å; L739-A770 HydrophobicContact CD2-CB 4.05Å; L739-H771 VanDerWaalsContact CD2-CE1 3.48Å; L739-H771 WeakPolarHBondContact CD2-CE1 3.34Å
740A96.5Very high94.2Very high8 Ų858.3 Ų58.37%0.06633%0.327CS..PPolyproline II helixtrans-54.5131.1176.900000110.8V705 M767 H771V705-A740 PolarHBondContact O-N 3.45Å; A740-M767 HydrophobicContact CB-SD 3.97Å; A740-H771 PolarHBondContact O-NE2 3.26Å
741P94.9Very high94Very high96 Ų9657.3 Ų57.362%0.62333%0.326SS*.PPolyproline II helixtrans-64.9147.2179.328-35.2000111.1
742L92.7Very high94Very high67 Ų6758 Ų5835%0.35133%0.327SS..PPolyproline II helixtrans-61.5146.2174.2-70.3173.7000111.1L749 L768 H771L742-L749 HydrophobicContact CD1-CD1 3.97Å; L742-L768 HydrophobicContact CD2-CD2 3.81Å; L742-H771 HydrophobicContact CD1-CB 4.21Å; L742-H771 HydrophobicContact CD2-CB 4.12Å; L742-H771 WeakPolarHBondContact CD2-CD2 3.35Å; L742-H771 HydrophobicContact CG-CB 4.32Å
743P88.9Confident93.9Very high62 Ų6258.1 Ų58.140%0.40333%0.328SS..PPolyproline II helixtrans-58.2138.7168.4-2133.3000110.5S745 L764 M767P743-S745 PolarHBondContact O-N 2.79Å; P743-S745 VanDerWaalsContact O-N 3.12Å; P743-L764 HydrophobicContact CG-CD1 4.2Å; P743-M767 HydrophobicContact CG-CE 3.86Å
744S85.6Confident93.9Very high129 Ų12958.1 Ų58.190%0.90233%0.328SS*.  trans-63.3113.217554.10000110.3
745S88.8Confident93.8Very high62 Ų6261.4 Ų61.443%0.43434%0.337SS..  trans-151.9141.5-179.3-165.90000110.8P743 V747P743-S745 PolarHBondContact O-N 2.79Å; P743-S745 VanDerWaalsContact O-N 3.12Å; S745-V747 PolarHBondContact O-N 3.47Å; S745-V747 PolarHBondContact OG-N 2.87Å
746D90.5Very high93.9Very high177 Ų17755.5 Ų55.595%0.94731%0.309SS*.SBendtrans-80.34173.9-48.5-63.7000112.7
747V91.5Very high93.9Very high68 Ų6851.5 Ų51.541%0.41229%0.292SS..SBendtrans-96.2132.8-175.2178.20000110.4S745 Q751 Q752S745-V747 PolarHBondContact O-N 3.47Å; S745-V747 PolarHBondContact OG-N 2.87Å; V747-Q751 HydrophobicContact CG1-CB 3.49Å; V747-Q751 VanDerWaalsContact CG1-CB 3.49Å; V747-Q752 HydrophobicContact CB-CG 4.14Å; V747-Q752 HydrophobicContact CG1-CG 3.99Å; V747-Q752 PolarHBondContact O-NE2 3.41Å
748P93Very high94Very high73 Ų7351.6 Ų51.647%0.47430%0.295SS..  trans-54.5151.9177.2-27.535.3000114.2G750 Q751 Q752P748-G750 VanDerWaalsContact C-N 3.34Å; P748-G750 PolarHBondContact O-N 2.95Å; P748-Q751 HydrophobicContact CB-CB 4.5Å; P748-Q751 HydrophobicContact CB-CG 4.24Å; P748-Q751 HydrophobicContact CG-CG 4.35Å; P748-Q751 PolarHBondContact O-N 2.78Å; P748-Q752 WeakPolarHBondContact O-CG 3.18Å; P748-Q752 PolarHBondContact O-N 2.96Å
749L94.9Very high94Very high16 Ų1656.3 Ų56.38%0.08432%0.317CS..Hα-helixtrans-60.7-39.5-174.4-172.1150.4000112.7L742 Q752 L753 L768 H771 E776L742-L749 HydrophobicContact CD1-CD1 3.97Å; L749-Q752 WeakPolarHBondContact O-CB 3.37Å; L749-Q752 PolarHBondContact O-N 3.43Å; L749-L753 WeakPolarHBondContact O-CB 3.35Å; L749-L753 PolarHBondContact O-N 2.95Å; L749-L768 HydrophobicContact CG-CD2 3.96Å; L749-H771 HydrophobicContact CD1-CB 3.94Å; L749-E776 HydrophobicContact CB-CB 4.39Å; L749-E776 HydrophobicContact CB-CG 4.35Å; L749-E776 VanDerWaalsContact CB-OE1 3.27Å; L749-E776 WeakPolarHBondContact CB-OE1 3.47Å; L749-E776 HydrophobicContact CD2-CB 3.86Å
750G94.1Very high94Very high1 Ų160.1 Ų60.11%0.0134%0.338CS..Hα-helixtrans-69.5-38.417700000112.5P748 Q752 L753 L754 E776 E779P748-G750 VanDerWaalsContact C-N 3.34Å; P748-G750 PolarHBondContact O-N 2.95Å; G750-Q752 PolarHBondContact O-N 3.34Å; G750-L753 WeakPolarHBondContact O-CB 3.46Å; G750-L753 PolarHBondContact O-N 3.26Å; G750-L753 VanDerWaalsContact O-N 3.11Å; G750-L754 VanDerWaalsContact O-CG 3.29Å; G750-L754 WeakPolarHBondContact O-CG 3.3Å; G750-L754 PolarHBondContact O-N 3.4Å; G750-E776 VanDerWaalsContact CA-O 3.29Å; G750-E776 WeakPolarHBondContact CA-O 3.16Å; G750-E779 VanDerWaalsContact C-OE2 3.3Å; G750-E779 WeakPolarHBondContact CA-OE2 3.38Å; G750-E779 PolarHBondContact N-OE2 3.21Å; G750-E779 VanDerWaalsContact N-OE2 3.14Å
751Q93.9Very high94Very high48 Ų4863 Ų6322%0.22435%0.352CS..Hα-helixtrans-61.6-39.2168.6-61.1-53.3-34.800112.8V747 P748 L753 R755 E779 T780V747-Q751 HydrophobicContact CG1-CB 3.49Å; V747-Q751 VanDerWaalsContact CG1-CB 3.49Å; P748-Q751 HydrophobicContact CB-CB 4.5Å; P748-Q751 HydrophobicContact CB-CG 4.24Å; P748-Q751 HydrophobicContact CG-CG 4.35Å; P748-Q751 PolarHBondContact O-N 2.78Å; Q751-L753 VanDerWaalsContact C-N 3.31Å; Q751-L753 PolarHBondContact O-N 3.28Å; Q751-R755 WeakPolarHBondContact O-CB 3.36Å; Q751-R755 PolarHBondContact O-N 2.89Å; Q751-E779 WeakPolarHBondContact CG-OE1 3.47Å; Q751-E779 PolarHBondContact N-OE2 2.56Å; Q751-E779 VanDerWaalsContact NE2-CD 3.3Å; Q751-E779 PolarHBondContact NE2-OE1 3Å; Q751-T780 PolarHBondContact NE2-O 3.11Å
752Q95.7Very high94.1Very high25 Ų2559.8 Ų59.812%0.11733%0.329CS..Hα-helixtrans-63.6-36.7171.2-68-174.956.400111.8V747 P748 L749 G750 R755 A756 L768V747-Q752 HydrophobicContact CB-CG 4.14Å; V747-Q752 HydrophobicContact CG1-CG 3.99Å; V747-Q752 PolarHBondContact O-NE2 3.41Å; P748-Q752 WeakPolarHBondContact O-CG 3.18Å; P748-Q752 PolarHBondContact O-N 2.96Å; L749-Q752 WeakPolarHBondContact O-CB 3.37Å; L749-Q752 PolarHBondContact O-N 3.43Å; G750-Q752 PolarHBondContact O-N 3.34Å; Q752-R755 PolarHBondContact O-N 3.32Å; Q752-A756 WeakPolarHBondContact O-CB 3.23Å; Q752-A756 PolarHBondContact O-N 3.25Å; Q752-L768 HydrophobicContact CB-CD1 3.9Å; Q752-L768 HydrophobicContact CB-CD2 3.8Å; Q752-L768 WeakPolarHBondContact O-CD1 3.5Å
753L97Very high94.3Very high2 Ų262.5 Ų62.51%0.0134%0.335CS..Hα-helixtrans-69.7-43.1177.6-18066000111.9L749 G750 Q751 R755 A756 V757 L765 L768 L769 V777 A789 L805L749-L753 WeakPolarHBondContact O-CB 3.35Å; L749-L753 PolarHBondContact O-N 2.95Å; G750-L753 WeakPolarHBondContact O-CB 3.46Å; G750-L753 PolarHBondContact O-N 3.26Å; G750-L753 VanDerWaalsContact O-N 3.11Å; Q751-L753 VanDerWaalsContact C-N 3.31Å; Q751-L753 PolarHBondContact O-N 3.28Å; L753-R755 VanDerWaalsContact C-N 3.28Å; L753-R755 PolarHBondContact O-N 3.05Å; L753-A756 PolarHBondContact O-N 3.23Å; L753-V757 WeakPolarHBondContact O-CG2 3.26Å; L753-V757 PolarHBondContact O-N 2.82Å; L753-L765 HydrophobicContact CD1-CD1 4.13Å; L753-L765 HydrophobicContact CD1-CG 3.97Å; L753-L768 HydrophobicContact CB-CD1 4.35Å; L753-L768 HydrophobicContact CD1-CB 4.22Å; L753-L769 HydrophobicContact CD1-CD2 3.84Å; L753-L769 HydrophobicContact CD1-CG 4.01Å; L753-L769 HydrophobicContact CD2-CD2 3.73Å; L753-L769 HydrophobicContact CG-CD2 4.47Å; L753-V777 HydrophobicContact CD2-CB 4.43Å; L753-V777 HydrophobicContact CD2-CG1 4.46Å; L753-V777 HydrophobicContact CD2-CG2 4.23Å; L753-A789 HydrophobicContact CD2-CB 4.43Å; L753-A789 HydrophobicContact CG-CB 4.38Å; L753-L805 HydrophobicContact CD1-CD2 4.35Å; L753-L805 HydrophobicContact CD2-CD2 4.07Å; L753-L805 HydrophobicContact CG-CD2 4.41Å
754L96.2Very high94.7Very high3 Ų361 Ų612%0.01632%0.323CS..Hα-helixtrans-56.7-44.5172-70.4165000110.5G750 V757 V758 T780 Y781 A789 L792G750-L754 VanDerWaalsContact O-CG 3.29Å; G750-L754 WeakPolarHBondContact O-CG 3.3Å; G750-L754 PolarHBondContact O-N 3.4Å; L754-V757 PolarHBondContact O-N 3.16Å; L754-V758 WeakPolarHBondContact O-CG2 3.46Å; L754-V758 PolarHBondContact O-N 3.05Å; L754-T780 VanDerWaalsContact CD1-C 3.46Å; L754-T780 WeakPolarHBondContact CD1-O 3.45Å; L754-Y781 HydrophobicContact CD1-CD2 4.43Å; L754-A789 HydrophobicContact CD2-CB 4.14Å; L754-A789 VanDerWaalsContact CD2-N 3.26Å; L754-L792 HydrophobicContact CB-CD1 4.21Å; L754-L792 HydrophobicContact CD2-CD1 3.6Å
755R95Very high95.2Very high154 Ų15454.8 Ų54.858%0.58128%0.28SS*.Hα-helixtrans-63.3-47.9174.5178.5178.8176.215212.1112.6Q751 Q752 L753 V757 V758 E759Q751-R755 WeakPolarHBondContact O-CB 3.36Å; Q751-R755 PolarHBondContact O-N 2.89Å; Q752-R755 PolarHBondContact O-N 3.32Å; L753-R755 VanDerWaalsContact C-N 3.28Å; L753-R755 PolarHBondContact O-N 3.05Å; R755-V757 PolarHBondContact O-N 2.98Å; R755-V758 PolarHBondContact O-N 2.96Å; R755-E759 HydrophobicContact CG-CG 4.26Å; R755-E759 VanDerWaalsContact CG-OE2 3.29Å; R755-E759 WeakPolarHBondContact CG-OE2 3.3Å; R755-E759 IonicContact CZ-OE1 2.77Å; R755-E759 VanDerWaalsContact CZ-OE1 3.3Å; R755-E759 IonicContact CZ-OE2 2.73Å; R755-E759 IonicContact NE-OE1 3.15Å; R755-E759 PolarHBondContact NE-OE1 3.01Å; R755-E759 IonicContact NE-OE2 3.42Å; R755-E759 PolarHBondContact NE-OE2 3.09Å; R755-E759 IonicContact NH2-OE1 3.16Å; R755-E759 PolarHBondContact NH2-OE1 2.82Å; R755-E759 IonicContact NH2-OE2 3.44Å; R755-E759 PolarHBondContact O-N 2.86Å
756A96.8Very high95.6Very high0 Ų052 Ų520%026%0.261CS..Hα-helixtrans-60.7-32.5179.400000112.7Q752 L753 D760 D761 L764 L765 L768Q752-A756 WeakPolarHBondContact O-CB 3.23Å; Q752-A756 PolarHBondContact O-N 3.25Å; L753-A756 PolarHBondContact O-N 3.23Å; A756-D760 PolarHBondContact O-N 3.16Å; A756-D761 PolarHBondContact O-N 3.37Å; A756-D761 VanDerWaalsContact O-N 3.14Å; A756-L764 HydrophobicContact CB-CB 4.21Å; A756-L764 HydrophobicContact CB-CD2 3.91Å; A756-L764 HydrophobicContact CB-CG 3.84Å; A756-L765 HydrophobicContact CB-CB 4.29Å; A756-L768 HydrophobicContact CB-CD1 3.94Å
757V97.5Very high96Very high0 Ų044.7 Ų44.70%022%0.221CC..Hα-helixtrans-63.6-48.2170.2170.80000111.4L753 L754 R755 D760 L765 A789 L792 M796 F801 L805L753-V757 WeakPolarHBondContact O-CG2 3.26Å; L753-V757 PolarHBondContact O-N 2.82Å; L754-V757 PolarHBondContact O-N 3.16Å; R755-V757 PolarHBondContact O-N 2.98Å; V757-D760 PolarHBondContact O-N 3.17Å; V757-L765 HydrophobicContact CG2-CD1 3.58Å; V757-A789 HydrophobicContact CG2-CB 4.14Å; V757-L792 HydrophobicContact CB-CB 4.47Å; V757-L792 HydrophobicContact CG1-CB 3.56Å; V757-M796 HydrophobicContact CG1-SD 4.16Å; V757-M796 WeakPolarHBondContact O-CE 3.34Å; V757-F801 HydrophobicContact CB-CD2 4.31Å; V757-F801 HydrophobicContact CG1-CD2 4.2Å; V757-F801 HydrophobicContact CG2-CD2 4.11Å; V757-L805 HydrophobicContact CG2-CD1 4.25Å
758V96.1Very high96.2Very high78 Ų7841.4 Ų41.447%0.47320%0.201SC..Hα-helixtrans-68-34.6-178.7177.50000112.7L754 R755 D760 L792L754-V758 WeakPolarHBondContact O-CG2 3.46Å; L754-V758 PolarHBondContact O-N 3.05Å; R755-V758 PolarHBondContact O-N 2.96Å; V758-D760 VanDerWaalsContact C-N 3.27Å; V758-D760 PolarHBondContact O-N 2.89Å; V758-L792 HydrophobicContact CG2-CD1 4Å; V758-L792 HydrophobicContact CG2-CD2 4.35Å
759E96.9Very high96.4Very high102 Ų10238.1 Ų38.148%0.47718%0.18SC..THydrogen-bonded Turntrans-82.5-0.2178.4-67.1-178.6145.300113.5R755 D761R755-E759 HydrophobicContact CG-CG 4.26Å; R755-E759 VanDerWaalsContact CG-OE2 3.29Å; R755-E759 WeakPolarHBondContact CG-OE2 3.3Å; R755-E759 IonicContact CZ-OE1 2.77Å; R755-E759 VanDerWaalsContact CZ-OE1 3.3Å; R755-E759 IonicContact CZ-OE2 2.73Å; R755-E759 IonicContact NE-OE1 3.15Å; R755-E759 PolarHBondContact NE-OE1 3.01Å; R755-E759 IonicContact NE-OE2 3.42Å; R755-E759 PolarHBondContact NE-OE2 3.09Å; R755-E759 IonicContact NH2-OE1 3.16Å; R755-E759 PolarHBondContact NH2-OE1 2.82Å; R755-E759 IonicContact NH2-OE2 3.44Å; R755-E759 PolarHBondContact O-N 2.86Å; E759-D761 PolarHBondContact O-N 3.31Å
760D96.5Very high96.5Very high92 Ų9237.4 Ų37.449%0.49218%0.176SC..THydrogen-bonded Turntrans56.922.4-177.4-148.348000114.8A756 V757 V758 L762 M796 N798A756-D760 PolarHBondContact O-N 3.16Å; V757-D760 PolarHBondContact O-N 3.17Å; V758-D760 VanDerWaalsContact C-N 3.27Å; V758-D760 PolarHBondContact O-N 2.89Å; D760-L762 PolarHBondContact O-N 2.97Å; D760-M796 HydrophobicContact CB-CE 4.43Å; D760-N798 PolarHBondContact OD1-ND2 3.12Å
761D97.2Very high96.6Very high69 Ų6940 Ų4037%0.36919%0.188SC..  trans-81.990.8-179.6-171.1-17.2000111.7A756 E759 R763 L764 L765A756-D761 PolarHBondContact O-N 3.37Å; A756-D761 VanDerWaalsContact O-N 3.14Å; E759-D761 PolarHBondContact O-N 3.31Å; D761-R763 PolarHBondContact O-N 2.76Å; D761-R763 WeakPolarHBondContact OD1-CA 3.25Å; D761-R763 WeakPolarHBondContact OD1-CB 3.46Å; D761-R763 PolarHBondContact OD1-N 3.06Å; D761-L764 HydrophobicContact CB-CB 3.91Å; D761-L764 VanDerWaalsContact CG-CB 3.4Å; D761-L764 PolarHBondContact O-N 3.24Å; D761-L764 PolarHBondContact OD1-N 3.08Å; D761-L764 WeakPolarHBondContact OD2-CB 3.44Å; D761-L765 VanDerWaalsContact O-CB 3.3Å; D761-L765 WeakPolarHBondContact O-CB 3.26Å; D761-L765 PolarHBondContact O-N 3.3Å
762L97.3Very high96.5Very high27 Ų2738.4 Ų38.414%0.14118%0.184CC..Hα-helixtrans-55.8-33.5174.4177.860.8000113.4A696 M697 L701 D760 V766 V800 F801 L804A696-L762 HydrophobicContact CB-CD2 3.86Å; A696-L762 WeakPolarHBondContact O-CD2 3.38Å; M697-L762 HydrophobicContact CG-CD1 4.14Å; M697-L762 HydrophobicContact CG-CD2 3.98Å; M697-L762 HydrophobicContact CG-CG 4.36Å; L701-L762 HydrophobicContact CD1-CD2 3.92Å; L701-L762 HydrophobicContact CD1-CG 4.05Å; D760-L762 PolarHBondContact O-N 2.97Å; L762-V766 HydrophobicContact CD1-CG2 3.9Å; L762-V766 HydrophobicContact CG-CG2 4.46Å; L762-V766 WeakPolarHBondContact O-CB 3.42Å; L762-V766 WeakPolarHBondContact O-CG2 3.44Å; L762-V766 PolarHBondContact O-N 3.46Å; L762-V800 HydrophobicContact CD1-CG1 3.98Å; L762-F801 HydrophobicContact CB-CE1 3.85Å; L762-F801 HydrophobicContact CB-CZ 4.31Å; L762-F801 HydrophobicContact CD1-CD1 4.24Å; L762-F801 HydrophobicContact CD1-CE1 3.75Å; L762-F801 HydrophobicContact CG-CE1 4.39Å; L762-L804 HydrophobicContact CD1-CD1 3.81Å
763R96.8Very high96.4Very high124 Ų12439.3 Ų39.347%0.46819%0.193SC..Hα-helixtrans-76.9-44.3-177.7-172.7-178.1-179.7-147.9-6.1110.6S704 V705 D761 V766 M767S704-R763 PolarHBondContact O-NH2 2.95Å; S704-R763 PolarHBondContact OG-NE 3.03Å; V705-R763 HydrophobicContact CG2-CG 4.23Å; D761-R763 PolarHBondContact O-N 2.76Å; D761-R763 WeakPolarHBondContact OD1-CA 3.25Å; D761-R763 WeakPolarHBondContact OD1-CB 3.46Å; D761-R763 PolarHBondContact OD1-N 3.06Å; R763-V766 PolarHBondContact O-N 3.05Å; R763-M767 WeakPolarHBondContact O-CB 3.3Å; R763-M767 PolarHBondContact O-N 3.35Å
764L96.8Very high96.1Very high30 Ų3045.1 Ų45.116%0.15722%0.218CC..Hα-helixtrans-62.8-44.2174.6-179.157.8000110.6P743 A756 D761 M767 L768P743-L764 HydrophobicContact CG-CD1 4.2Å; A756-L764 HydrophobicContact CB-CB 4.21Å; A756-L764 HydrophobicContact CB-CD2 3.91Å; A756-L764 HydrophobicContact CB-CG 3.84Å; D761-L764 HydrophobicContact CB-CB 3.91Å; D761-L764 VanDerWaalsContact CG-CB 3.4Å; D761-L764 PolarHBondContact O-N 3.24Å; D761-L764 PolarHBondContact OD1-N 3.08Å; D761-L764 WeakPolarHBondContact OD2-CB 3.44Å; L764-M767 HydrophobicContact CD1-CE 3.61Å; L764-M767 PolarHBondContact O-N 2.92Å; L764-L768 HydrophobicContact CD1-CD1 3.85Å; L764-L768 HydrophobicContact CD1-CG 4.04Å; L764-L768 HydrophobicContact CG-CD1 3.72Å; L764-L768 HydrophobicContact CG-CG 4.37Å; L764-L768 WeakPolarHBondContact O-CB 3.5Å; L764-L768 VanDerWaalsContact O-CG 3.25Å; L764-L768 WeakPolarHBondContact O-CG 3.39Å; L764-L768 PolarHBondContact O-N 3.39Å
765L97.8Very high95.9Very high0 Ų051.2 Ų51.20%025%0.247CC..Hα-helixtrans-58.1-49.8174.5178.3138.3000112.1L753 A756 V757 D761 M767 L768 L769 F801 L804L753-L765 HydrophobicContact CD1-CD1 4.13Å; L753-L765 HydrophobicContact CD1-CG 3.97Å; A756-L765 HydrophobicContact CB-CB 4.29Å; V757-L765 HydrophobicContact CG2-CD1 3.58Å; D761-L765 VanDerWaalsContact O-CB 3.3Å; D761-L765 WeakPolarHBondContact O-CB 3.26Å; D761-L765 PolarHBondContact O-N 3.3Å; L765-M767 VanDerWaalsContact C-N 3.29Å; L765-M767 PolarHBondContact O-N 3.48Å; L765-L768 PolarHBondContact O-N 3.36Å; L765-L769 HydrophobicContact CD2-CD1 3.66Å; L765-L769 HydrophobicContact CD2-CG 4.42Å; L765-L769 HydrophobicContact CG-CD1 4.1Å; L765-L769 HydrophobicContact CG-CG 4.41Å; L765-L769 WeakPolarHBondContact O-CB 3.29Å; L765-L769 VanDerWaalsContact O-CG 3.27Å; L765-L769 WeakPolarHBondContact O-CG 3.43Å; L765-L769 PolarHBondContact O-N 3.39Å; L765-F801 HydrophobicContact CD1-CB 4.24Å; L765-F801 HydrophobicContact CD1-CD1 3.95Å; L765-F801 HydrophobicContact CD1-CD2 3.73Å; L765-F801 HydrophobicContact CD1-CE1 4.23Å; L765-F801 HydrophobicContact CD1-CE2 3.99Å; L765-F801 HydrophobicContact CD1-CG 3.7Å; L765-F801 HydrophobicContact CD1-CZ 4.24Å; L765-F801 HydrophobicContact CD2-CD1 4.1Å; L765-F801 HydrophobicContact CD2-CE1 4.34Å; L765-L804 HydrophobicContact CD2-CB 4.36Å; L765-L804 HydrophobicContact CD2-CD1 3.79Å
766V97.3Very high95.9Very high4 Ų447.2 Ų47.22%0.02424%0.235CC..Hα-helixtrans-63.6-34.7179.1168.50000111.9M697 L701 V705 L762 R763 A770 L804M697-V766 HydrophobicContact CE-CB 4.42Å; M697-V766 HydrophobicContact CE-CG1 3.87Å; M697-V766 HydrophobicContact CE-CG2 3.62Å; M697-V766 HydrophobicContact SD-CG2 4.08Å; L701-V766 HydrophobicContact CD2-CB 4.4Å; L701-V766 HydrophobicContact CD2-CG1 4.31Å; L701-V766 HydrophobicContact CD2-CG2 4.33Å; V705-V766 HydrophobicContact CG1-CG1 4.49Å; V705-V766 HydrophobicContact CG2-CG1 4.27Å; L762-V766 HydrophobicContact CD1-CG2 3.9Å; L762-V766 HydrophobicContact CG-CG2 4.46Å; L762-V766 WeakPolarHBondContact O-CB 3.42Å; L762-V766 WeakPolarHBondContact O-CG2 3.44Å; L762-V766 PolarHBondContact O-N 3.46Å; R763-V766 PolarHBondContact O-N 3.05Å; V766-A770 VanDerWaalsContact O-CB 3.31Å; V766-A770 WeakPolarHBondContact O-CB 3.37Å; V766-A770 PolarHBondContact O-N 2.89Å; V766-L804 HydrophobicContact CG2-CD1 4.17Å
767M96.9Very high95.8Very high22 Ų2247.3 Ų47.311%0.10824%0.235CC..Hα-helixtrans-69.2-46.2175-176.9171.458.500112.3V705 A740 P743 R763 L764 L765 A770 H771V705-M767 HydrophobicContact CG1-CB 4.15Å; V705-M767 HydrophobicContact CG1-CG 4.44Å; V705-M767 HydrophobicContact CG2-CB 4.13Å; A740-M767 HydrophobicContact CB-SD 3.97Å; P743-M767 HydrophobicContact CG-CE 3.86Å; R763-M767 WeakPolarHBondContact O-CB 3.3Å; R763-M767 PolarHBondContact O-N 3.35Å; L764-M767 HydrophobicContact CD1-CE 3.61Å; L764-M767 PolarHBondContact O-N 2.92Å; L765-M767 VanDerWaalsContact C-N 3.29Å; L765-M767 PolarHBondContact O-N 3.48Å; M767-A770 PolarHBondContact O-N 3.39Å; M767-H771 PolarHBondContact O-CD2 2.86Å; M767-H771 VanDerWaalsContact O-CD2 3.31Å; M767-H771 PolarHBondContact O-N 3.31Å; M767-H771 VanDerWaalsContact O-N 3.12Å
768L97.4Very high95.7Very high0 Ų049.3 Ų49.30%025%0.246CC..Hα-helixtrans-62.8-42.9177.3-70.5164.3000111.3L742 L749 Q752 L753 A756 L764 L765 A770 H771 G772L742-L768 HydrophobicContact CD2-CD2 3.81Å; L749-L768 HydrophobicContact CG-CD2 3.96Å; Q752-L768 HydrophobicContact CB-CD1 3.9Å; Q752-L768 HydrophobicContact CB-CD2 3.8Å; Q752-L768 WeakPolarHBondContact O-CD1 3.5Å; L753-L768 HydrophobicContact CB-CD1 4.35Å; L753-L768 HydrophobicContact CD1-CB 4.22Å; A756-L768 HydrophobicContact CB-CD1 3.94Å; L764-L768 HydrophobicContact CD1-CD1 3.85Å; L764-L768 HydrophobicContact CD1-CG 4.04Å; L764-L768 HydrophobicContact CG-CD1 3.72Å; L764-L768 HydrophobicContact CG-CG 4.37Å; L764-L768 WeakPolarHBondContact O-CB 3.5Å; L764-L768 VanDerWaalsContact O-CG 3.25Å; L764-L768 WeakPolarHBondContact O-CG 3.39Å; L764-L768 PolarHBondContact O-N 3.39Å; L765-L768 PolarHBondContact O-N 3.36Å; L768-A770 VanDerWaalsContact C-N 3.32Å; L768-A770 PolarHBondContact O-N 2.93Å; L768-H771 PolarHBondContact O-N 2.75Å; L768-G772 PolarHBondContact O-N 3.47Å
769L96.9Very high95.6Very high4 Ų448.4 Ų48.42%0.02124%0.236CC..Hα-helixtrans-65.5-30.7174.2-68.9-175.8000113.3L753 L765 V777 L804 L805 Y808L753-L769 HydrophobicContact CD1-CD2 3.84Å; L753-L769 HydrophobicContact CD1-CG 4.01Å; L753-L769 HydrophobicContact CD2-CD2 3.73Å; L753-L769 HydrophobicContact CG-CD2 4.47Å; L765-L769 HydrophobicContact CD2-CD1 3.66Å; L765-L769 HydrophobicContact CD2-CG 4.42Å; L765-L769 HydrophobicContact CG-CD1 4.1Å; L765-L769 HydrophobicContact CG-CG 4.41Å; L765-L769 WeakPolarHBondContact O-CB 3.29Å; L765-L769 VanDerWaalsContact O-CG 3.27Å; L765-L769 WeakPolarHBondContact O-CG 3.43Å; L765-L769 PolarHBondContact O-N 3.39Å; L769-V777 HydrophobicContact CD2-CG1 4.2Å; L769-V777 HydrophobicContact CD2-CG2 3.67Å; L769-L804 HydrophobicContact CD1-CB 4.2Å; L769-L805 HydrophobicContact CD1-CD2 4.44Å; L769-L805 HydrophobicContact CD2-CD2 4.14Å; L769-Y808 HydrophobicContact CB-CD1 3.78Å; L769-Y808 HydrophobicContact CB-CD2 4.14Å; L769-Y808 HydrophobicContact CB-CE1 3.99Å; L769-Y808 HydrophobicContact CB-CE2 4.34Å; L769-Y808 HydrophobicContact CB-CG 3.86Å; L769-Y808 HydrophobicContact CD1-CD2 3.85Å; L769-Y808 HydrophobicContact CD1-CE2 4.41Å; L769-Y808 HydrophobicContact CD1-CG 4.07Å; L769-Y808 HydrophobicContact CD2-CG 4.28Å; L769-Y808 HydrophobicContact CG-CD2 4.5Å; L769-Y808 HydrophobicContact CG-CG 4.29Å; L769-Y808 WeakPolarHBondContact O-CD1 3.46Å; L769-Y808 WeakPolarHBondContact O-CE1 3.35Å
770A96.2Very high95.5Very high1 Ų145.6 Ų45.61%0.00823%0.226CC..Hα-helixtrans-72.5-29.717500000112.8V705 W706 K736 L739 V766 M767 L768V705-A770 HydrophobicContact CG1-CB 4.17Å; W706-A770 HydrophobicContact CH2-CB 3.96Å; W706-A770 HydrophobicContact CZ2-CB 3.61Å; K736-A770 VanDerWaalsContact CE-O 3.31Å; K736-A770 WeakPolarHBondContact CE-O 3.33Å; K736-A770 PolarHBondContact NZ-O 3.26Å; L739-A770 HydrophobicContact CD1-CB 3.69Å; L739-A770 HydrophobicContact CD2-CB 4.05Å; V766-A770 VanDerWaalsContact O-CB 3.31Å; V766-A770 WeakPolarHBondContact O-CB 3.37Å; V766-A770 PolarHBondContact O-N 2.89Å; M767-A770 PolarHBondContact O-N 3.39Å; L768-A770 VanDerWaalsContact C-N 3.32Å; L768-A770 PolarHBondContact O-N 2.93Å
771H95.7Very high95Very high55 Ų5545.8 Ų45.826%0.25522%0.221SC..Hα-helixtrans-81.8-53.7174-80.5-73.8000112.8K736 L739 A740 L742 L749 M767 L768K736-H771 PolarHBondContact NZ-O 2.73Å; L739-H771 VanDerWaalsContact CD2-CE1 3.48Å; L739-H771 WeakPolarHBondContact CD2-CE1 3.34Å; A740-H771 PolarHBondContact O-NE2 3.26Å; L742-H771 HydrophobicContact CD1-CB 4.21Å; L742-H771 HydrophobicContact CD2-CB 4.12Å; L742-H771 WeakPolarHBondContact CD2-CD2 3.35Å; L742-H771 HydrophobicContact CG-CB 4.32Å; L749-H771 HydrophobicContact CD1-CB 3.94Å; M767-H771 PolarHBondContact O-CD2 2.86Å; M767-H771 VanDerWaalsContact O-CD2 3.31Å; M767-H771 PolarHBondContact O-N 3.31Å; M767-H771 VanDerWaalsContact O-N 3.12Å; L768-H771 PolarHBondContact O-N 2.75Å
772G93.2Very high94.3Very high14 Ų1444.2 Ų44.214%0.14422%0.22CC..  trans-60.1147.4-162.300000116.2L768L768-G772 PolarHBondContact O-N 3.47Å
773S92.9Very high93.3Very high44 Ų4450.7 Ų50.731%0.30826%0.255SS..  trans-66.8164162.263.50000111.3E775 E776 V777S773-E775 PolarHBondContact O-N 3.05Å; S773-E776 VanDerWaalsContact CB-OE2 3.27Å; S773-E776 WeakPolarHBondContact CB-OE2 3.21Å; S773-E776 PolarHBondContact N-OE2 3.2Å; S773-E776 PolarHBondContact O-N 2.98Å; S773-E776 VanDerWaalsContact OG-CG 3.32Å; S773-E776 WeakPolarHBondContact OG-CG 3.25Å; S773-E776 PolarHBondContact OG-N 2.85Å; S773-E776 VanDerWaalsContact OG-N 3.16Å; S773-E776 PolarHBondContact OG-OE2 2.82Å; S773-V777 VanDerWaalsContact O-CG2 3.32Å; S773-V777 WeakPolarHBondContact O-CG2 3.12Å; S773-V777 PolarHBondContact O-N 3.34Å; S773-V777 VanDerWaalsContact O-N 3.12Å
774K89.9Confident92.6Very high125 Ų12548.5 Ų48.554%0.54327%0.272SS..Hα-helixtrans-61.9-31.7174.1-177.7-167169-152.10110.9V777 N778K774-V777 PolarHBondContact O-N 2.7Å; K774-N778 PolarHBondContact O-N 3.03Å; K774-N778 PolarHBondContact O-ND2 2.97Å
775E92.6Very high92.3Very high131 Ų13148.8 Ų48.861%0.61227%0.273SS*.Hα-helixtrans-68.6-46.9-178.2-6856.1-128.300110.3S773 V777 N778 E779S773-E775 PolarHBondContact O-N 3.05Å; E775-V777 PolarHBondContact O-N 3.4Å; E775-N778 PolarHBondContact O-N 3.14Å; E775-N778 VanDerWaalsContact O-N 3.1Å; E775-E779 PolarHBondContact O-N 3.36Å
776E95.3Very high92.1Very high70 Ų7049.3 Ų49.333%0.32728%0.279SS..Hα-helixtrans-65.7-35.9174.1-67.5159.6114.400112.7L749 G750 S773 N778 E779L749-E776 HydrophobicContact CB-CB 4.39Å; L749-E776 HydrophobicContact CB-CG 4.35Å; L749-E776 VanDerWaalsContact CB-OE1 3.27Å; L749-E776 WeakPolarHBondContact CB-OE1 3.47Å; L749-E776 HydrophobicContact CD2-CB 3.86Å; G750-E776 VanDerWaalsContact CA-O 3.29Å; G750-E776 WeakPolarHBondContact CA-O 3.16Å; S773-E776 VanDerWaalsContact CB-OE2 3.27Å; S773-E776 WeakPolarHBondContact CB-OE2 3.21Å; S773-E776 PolarHBondContact N-OE2 3.2Å; S773-E776 PolarHBondContact O-N 2.98Å; S773-E776 VanDerWaalsContact OG-CG 3.32Å; S773-E776 WeakPolarHBondContact OG-CG 3.25Å; S773-E776 PolarHBondContact OG-N 2.85Å; S773-E776 VanDerWaalsContact OG-N 3.16Å; S773-E776 PolarHBondContact OG-OE2 2.82Å; E776-N778 PolarHBondContact O-N 3.16Å; E776-E779 WeakPolarHBondContact O-CB 3.49Å; E776-E779 PolarHBondContact O-N 3.42Å; E776-E779 VanDerWaalsContact O-N 3.14Å
777V95.5Very high92Very high2 Ų251.4 Ų51.41%0.01229%0.286CS..Hα-helixtrans-63.7-18.6173.8171.30000112.4L753 L769 S773 K774 E775 V810L753-V777 HydrophobicContact CD2-CB 4.43Å; L753-V777 HydrophobicContact CD2-CG1 4.46Å; L753-V777 HydrophobicContact CD2-CG2 4.23Å; L769-V777 HydrophobicContact CD2-CG1 4.2Å; L769-V777 HydrophobicContact CD2-CG2 3.67Å; S773-V777 VanDerWaalsContact O-CG2 3.32Å; S773-V777 WeakPolarHBondContact O-CG2 3.12Å; S773-V777 PolarHBondContact O-N 3.34Å; S773-V777 VanDerWaalsContact O-N 3.12Å; K774-V777 PolarHBondContact O-N 2.7Å; E775-V777 PolarHBondContact O-N 3.4Å; V777-V810 HydrophobicContact CG1-CB 4.06Å
778N95Very high91.9Very high42 Ų4250.6 Ų50.623%0.22528%0.282CS..THydrogen-bonded Turntrans-101.47.4177.3-79.7-78.1000114.2K774 E775 E776 G809 V810 D811K774-N778 PolarHBondContact O-N 3.03Å; K774-N778 PolarHBondContact O-ND2 2.97Å; E775-N778 PolarHBondContact O-N 3.14Å; E775-N778 VanDerWaalsContact O-N 3.1Å; E776-N778 PolarHBondContact O-N 3.16Å; N778-G809 PolarHBondContact ND2-O 3.14Å; N778-V810 WeakPolarHBondContact OD1-CA 3.49Å; N778-D811 PolarHBondContact OD1-N 2.72Å
779E93.8Very high91.9Very high58 Ų5850.7 Ų50.727%0.27128%0.283SS..  trans-61.1146.2176.1-151.5-176.5162.700111.6G750 Q751 E775 E776G750-E779 VanDerWaalsContact C-OE2 3.3Å; G750-E779 WeakPolarHBondContact CA-OE2 3.38Å; G750-E779 PolarHBondContact N-OE2 3.21Å; G750-E779 VanDerWaalsContact N-OE2 3.14Å; Q751-E779 WeakPolarHBondContact CG-OE1 3.47Å; Q751-E779 PolarHBondContact N-OE2 2.56Å; Q751-E779 VanDerWaalsContact NE2-CD 3.3Å; Q751-E779 PolarHBondContact NE2-OE1 3Å; E775-E779 PolarHBondContact O-N 3.36Å; E776-E779 WeakPolarHBondContact O-CB 3.49Å; E776-E779 PolarHBondContact O-N 3.42Å; E776-E779 VanDerWaalsContact O-N 3.14Å
780T93.9Very high92Very high43 Ų4350.5 Ų50.526%0.26428%0.282SS..BIsolated β-bridgetrans-107163.6-179.4580000111.6Q751 L754 G782 G786 R787 T788Q751-T780 PolarHBondContact NE2-O 3.11Å; L754-T780 VanDerWaalsContact CD1-C 3.46Å; L754-T780 WeakPolarHBondContact CD1-O 3.45Å; T780-G782 PolarHBondContact O-N 2.84Å; T780-G786 WeakPolarHBondContact CG2-O 3.37Å; T780-R787 CarbonylContact C-O 3.48Å; T780-R787 WeakPolarHBondContact CA-O 3.38Å; T780-T788 HydrophobicContact CG2-CG2 3.78Å
781Y86.1Confident92Very high97 Ų9750.4 Ų50.438%0.3828%0.282SS..SBendtrans-73.351173.7-156.1-96.8000112.4L754 D785 R787L754-Y781 HydrophobicContact CD1-CD2 4.43Å; Y781-D785 HydrophobicContact CD1-CB 4.27Å; Y781-D785 WeakPolarHBondContact O-CB 3.35Å; Y781-R787 PolarHBondContact N-O 3.11Å
782G83.6Confident92.1Very high35 Ų3548.2 Ų48.236%0.36127%0.272SS..  trans72.3167-172.200000114.4T780 G784 D785 G786T780-G782 PolarHBondContact O-N 2.84Å; G782-G784 VanDerWaalsContact C-N 3.25Å; G782-G784 PolarHBondContact O-N 3.23Å; G782-D785 PolarHBondContact O-N 2.82Å; G782-G786 PolarHBondContact O-N 2.6Å
783D75.1Confident92.3Very high163 Ų16347.5 Ų47.587%0.87227%0.265SS*.THydrogen-bonded Turntrans-63.2-29-176.2-56.7-49.3000113.5D785D783-D785 VanDerWaalsContact C-N 3.33Å; D783-D785 PolarHBondContact O-N 2.65Å
784G83.2Confident92.5Very high79 Ų7945.4 Ų45.481%0.81425%0.25SS*.THydrogen-bonded Turntrans-76.9-15.4-177.300000115G782G782-G784 VanDerWaalsContact C-N 3.25Å; G782-G784 PolarHBondContact O-N 3.23Å
785D91Very high92.8Very high36 Ų3641.4 Ų41.419%0.19324%0.24CC..THydrogen-bonded Turntrans-116.1-46.9-177.8-163.8-47.6000111.3Y781 G782 D783 R787 A817Y781-D785 HydrophobicContact CD1-CB 4.27Å; Y781-D785 WeakPolarHBondContact O-CB 3.35Å; G782-D785 PolarHBondContact O-N 2.82Å; D783-D785 VanDerWaalsContact C-N 3.33Å; D783-D785 PolarHBondContact O-N 2.65Å; D785-R787 VanDerWaalsContact CG-NE 3.32Å; D785-R787 PolarHBondContact O-N 2.86Å; D785-R787 VanDerWaalsContact O-N 3.1Å; D785-R787 VanDerWaalsContact OD1-CB 3.24Å; D785-R787 WeakPolarHBondContact OD1-CB 3.42Å; D785-R787 WeakPolarHBondContact OD1-CD 3.49Å; D785-R787 WeakPolarHBondContact OD1-CG 3.32Å; D785-R787 IonicContact OD1-CZ 3.2Å; D785-R787 PolarHBondContact OD1-N 3.14Å; D785-R787 IonicContact OD1-NE 3.78Å; D785-R787 PolarHBondContact OD1-NE 3.14Å; D785-R787 IonicContact OD1-NH2 3.4Å; D785-R787 IonicContact OD2-CZ 3.15Å; D785-R787 VanDerWaalsContact OD2-CZ 3.26Å; D785-R787 IonicContact OD2-NE 2.72Å; D785-R787 PolarHBondContact OD2-NE 3.43Å; D785-R787 VanDerWaalsContact OD2-NE 3.07Å; D785-R787 IonicContact OD2-NH2 2.76Å; D785-R787 PolarHBondContact OD2-NH2 3.25Å; D785-A817 WeakPolarHBondContact O-CB 3.31Å; D785-A817 PolarHBondContact O-N 3.26Å
786G92.2Very high93Very high11 Ų1138.9 Ų38.911%0.11323%0.229CC..  trans69.6-5-179.700000115.2T780 G782 T788T780-G786 WeakPolarHBondContact CG2-O 3.37Å; G782-G786 PolarHBondContact O-N 2.6Å; G786-T788 PolarHBondContact O-N 2.95Å
787R95.2Very high93.1Very high47 Ų4737.4 Ų37.418%0.17723%0.229CC..  trans-57119171.4-86.4-175.2-75.9171.7-2.9111.1T780 Y781 D785 H791 D816 Y825T780-R787 CarbonylContact C-O 3.48Å; T780-R787 WeakPolarHBondContact CA-O 3.38Å; Y781-R787 PolarHBondContact N-O 3.11Å; D785-R787 VanDerWaalsContact CG-NE 3.32Å; D785-R787 PolarHBondContact O-N 2.86Å; D785-R787 VanDerWaalsContact O-N 3.1Å; D785-R787 VanDerWaalsContact OD1-CB 3.24Å; D785-R787 WeakPolarHBondContact OD1-CB 3.42Å; D785-R787 WeakPolarHBondContact OD1-CD 3.49Å; D785-R787 WeakPolarHBondContact OD1-CG 3.32Å; D785-R787 IonicContact OD1-CZ 3.2Å; D785-R787 PolarHBondContact OD1-N 3.14Å; D785-R787 IonicContact OD1-NE 3.78Å; D785-R787 PolarHBondContact OD1-NE 3.14Å; D785-R787 IonicContact OD1-NH2 3.4Å; D785-R787 IonicContact OD2-CZ 3.15Å; D785-R787 VanDerWaalsContact OD2-CZ 3.26Å; D785-R787 IonicContact OD2-NE 2.72Å; D785-R787 PolarHBondContact OD2-NE 3.43Å; D785-R787 VanDerWaalsContact OD2-NE 3.07Å; D785-R787 IonicContact OD2-NH2 2.76Å; D785-R787 PolarHBondContact OD2-NH2 3.25Å; R787-H791 HydrophobicContact CB-CB 4.18Å; R787-H791 HydrophobicContact CG-CB 3.91Å; R787-D816 HydrophobicContact CG-CB 4.45Å; R787-Y825 WeakPolarHBondContact CD-OH 3.41Å; R787-Y825 HydrophobicContact CG-CE1 4.5Å; R787-Y825 VanDerWaalsContact CG-OH 3.3Å; R787-Y825 WeakPolarHBondContact CG-OH 3.49Å
788T96.3Very high93.2Very high5 Ų538.5 Ų38.53%0.03124%0.235CC..BIsolated β-bridgetrans-83.3168.9163.761.60000111.3T780 G786 L790 H791 L792 S814T780-T788 HydrophobicContact CG2-CG2 3.78Å; G786-T788 PolarHBondContact O-N 2.95Å; T788-L790 PolarHBondContact O-N 2.77Å; T788-L790 VanDerWaalsContact O-N 3.1Å; T788-H791 PolarHBondContact N-ND1 2.98Å; T788-H791 WeakPolarHBondContact O-CB 3.25Å; T788-H791 PolarHBondContact O-N 2.67Å; T788-H791 PolarHBondContact OG1-ND1 2.78Å; T788-L792 PolarHBondContact O-N 3.41Å; T788-S814 PolarHBondContact OG1-OG 3.34Å
789A97.3Very high93.2Very high2 Ų237.4 Ų37.42%0.01723%0.23CC..Hα-helixtrans-53.6-31.2174.400000113.5L753 L754 V757 L792 S793 L805L753-A789 HydrophobicContact CD2-CB 4.43Å; L753-A789 HydrophobicContact CG-CB 4.38Å; L754-A789 HydrophobicContact CD2-CB 4.14Å; L754-A789 VanDerWaalsContact CD2-N 3.26Å; V757-A789 HydrophobicContact CG2-CB 4.14Å; A789-L792 PolarHBondContact O-N 2.98Å; A789-S793 PolarHBondContact O-N 3.01Å; A789-S793 PolarHBondContact O-OG 3.19Å; A789-L805 HydrophobicContact CB-CD1 3.88Å; A789-L805 HydrophobicContact CB-CD2 3.75Å; A789-L805 HydrophobicContact CB-CG 4.49Å; A789-L805 WeakPolarHBondContact O-CD1 3.44Å
790L97.6Very high93.4Very high0 Ų035.5 Ų35.50%022%0.222CC..Hα-helixtrans-70-33.4176.4-169.961.8000112.6T788 S793 S794 T802 L805 I806 V810 V812 P822 L838T788-L790 PolarHBondContact O-N 2.77Å; T788-L790 VanDerWaalsContact O-N 3.1Å; L790-S793 WeakPolarHBondContact CA-OG 3.17Å; L790-S793 PolarHBondContact O-OG 3.28Å; L790-S794 VanDerWaalsContact O-CB 3.22Å; L790-S794 WeakPolarHBondContact O-CB 3.4Å; L790-S794 PolarHBondContact O-N 3.15Å; L790-S794 VanDerWaalsContact O-N 3.12Å; L790-S794 PolarHBondContact O-OG 3.1Å; L790-T802 HydrophobicContact CD1-CG2 3.9Å; L790-L805 HydrophobicContact CD1-CB 4.47Å; L790-I806 HydrophobicContact CD1-CD1 4.25Å; L790-I806 HydrophobicContact CD1-CG1 4.01Å; L790-I806 HydrophobicContact CD2-CG1 4.38Å; L790-V810 HydrophobicContact CB-CG1 3.9Å; L790-V810 HydrophobicContact CB-CG2 3.99Å; L790-V810 HydrophobicContact CD1-CG1 4.22Å; L790-V810 HydrophobicContact CD2-CG1 3.71Å; L790-V810 HydrophobicContact CG-CG1 4.14Å; L790-V812 HydrophobicContact CD2-CB 4.46Å; L790-V812 HydrophobicContact CD2-CG2 4.29Å; L790-P822 HydrophobicContact CB-CG 4.27Å; L790-P822 HydrophobicContact CD2-CB 4.12Å; L790-P822 HydrophobicContact CD2-CG 3.84Å; L790-P822 HydrophobicContact CG-CB 3.87Å; L790-P822 HydrophobicContact CG-CG 3.89Å; L790-L838 HydrophobicContact CD1-CD2 4.15Å; L790-L838 HydrophobicContact CD2-CD2 3.82Å; L790-L838 HydrophobicContact CG-CD2 4.14Å
791H97.2Very high93.6Very high0 Ų033.6 Ų33.60%021%0.21CC..Hα-helixtrans-67-40.4173.4-67.781.7000111.2R787 T788 A795 S814 D816 L820 P822 Y825R787-H791 HydrophobicContact CB-CB 4.18Å; R787-H791 HydrophobicContact CG-CB 3.91Å; T788-H791 PolarHBondContact N-ND1 2.98Å; T788-H791 WeakPolarHBondContact O-CB 3.25Å; T788-H791 PolarHBondContact O-N 2.67Å; T788-H791 PolarHBondContact OG1-ND1 2.78Å; H791-A795 WeakPolarHBondContact O-CB 3.23Å; H791-A795 PolarHBondContact O-N 3.19Å; H791-S814 PolarHBondContact CE1-OG 3.09Å; H791-D816 PolarHBondContact NE2-N 3.17Å; H791-L820 PolarHBondContact NE2-O 3.03Å; H791-P822 WeakPolarHBondContact NE2-CD 3.26Å; H791-Y825 HydrophobicContact CB-CE2 4.49Å; H791-Y825 AromaticContact CD2-CD2 3.84Å; H791-Y825 AromaticContact CD2-CE2 3.72Å
792L97Very high94.1Very high8 Ų829 Ų294%0.04219%0.192CC..Hα-helixtrans-67.9-50179.9-65.1173.2000112L754 V757 V758 T788 A789 S794 A795 M796L754-L792 HydrophobicContact CB-CD1 4.21Å; L754-L792 HydrophobicContact CD2-CD1 3.6Å; V757-L792 HydrophobicContact CB-CB 4.47Å; V757-L792 HydrophobicContact CG1-CB 3.56Å; V758-L792 HydrophobicContact CG2-CD1 4Å; V758-L792 HydrophobicContact CG2-CD2 4.35Å; T788-L792 PolarHBondContact O-N 3.41Å; A789-L792 PolarHBondContact O-N 2.98Å; L792-S794 VanDerWaalsContact C-N 3.29Å; L792-S794 PolarHBondContact O-N 3.4Å; L792-A795 WeakPolarHBondContact O-CA 3.4Å; L792-A795 VanDerWaalsContact O-CB 3.28Å; L792-A795 WeakPolarHBondContact O-CB 3.31Å; L792-A795 PolarHBondContact O-N 3.4Å; L792-M796 WeakPolarHBondContact O-CG 3.26Å; L792-M796 PolarHBondContact O-N 3.4Å
793S97.6Very high94.7Very high0 Ų027.5 Ų27.50%018%0.176CC..Hα-helixtrans-60.6-37.9176.350.70000112.5A789 L790 M796 A797 N798 L805A789-S793 PolarHBondContact O-N 3.01Å; A789-S793 PolarHBondContact O-OG 3.19Å; L790-S793 WeakPolarHBondContact CA-OG 3.17Å; L790-S793 PolarHBondContact O-OG 3.28Å; S793-M796 PolarHBondContact O-N 3.05Å; S793-A797 PolarHBondContact O-N 3.38Å; S793-N798 PolarHBondContact O-N 2.82Å; S793-L805 WeakPolarHBondContact OG-CD1 3.4Å
794S97.3Very high95.8Very high0 Ų019.8 Ų19.80%013%0.134CC..Hα-helixtrans-65-37.2172.5-59.50000112.8L790 L792 M796 A797 P822 A826L790-S794 VanDerWaalsContact O-CB 3.22Å; L790-S794 WeakPolarHBondContact O-CB 3.4Å; L790-S794 PolarHBondContact O-N 3.15Å; L790-S794 VanDerWaalsContact O-N 3.12Å; L790-S794 PolarHBondContact O-OG 3.1Å; L792-S794 VanDerWaalsContact C-N 3.29Å; L792-S794 PolarHBondContact O-N 3.4Å; S794-M796 VanDerWaalsContact C-N 3.32Å; S794-A797 PolarHBondContact O-N 3.29Å; S794-P822 WeakPolarHBondContact CB-O 3.33Å; S794-A826 WeakPolarHBondContact O-CA 3.34Å
795A96.8Very high96.4Very high41 Ų4116 Ų1634%0.33910%0.096SC..Hα-helixtrans-65.6-35.5175.600000112.5H791 L792 A797 Y825 A829H791-A795 WeakPolarHBondContact O-CB 3.23Å; H791-A795 PolarHBondContact O-N 3.19Å; L792-A795 WeakPolarHBondContact O-CA 3.4Å; L792-A795 VanDerWaalsContact O-CB 3.28Å; L792-A795 WeakPolarHBondContact O-CB 3.31Å; L792-A795 PolarHBondContact O-N 3.4Å; A795-A797 VanDerWaalsContact C-N 3.3Å; A795-Y825 HydrophobicContact CB-CD1 3.66Å; A795-Y825 HydrophobicContact CB-CE1 4.35Å; A795-A829 WeakPolarHBondContact O-CB 3.46Å
796M96.8Very high96.6Very high77 Ų7715 Ų1538%0.3799%0.09SC..THydrogen-bonded Turntrans-85.80.9-179.4-65.5170.566.100113.3V757 D760 L792 S793 S794 N798V757-M796 HydrophobicContact CG1-SD 4.16Å; V757-M796 WeakPolarHBondContact O-CE 3.34Å; D760-M796 HydrophobicContact CB-CE 4.43Å; L792-M796 WeakPolarHBondContact O-CG 3.26Å; L792-M796 PolarHBondContact O-N 3.4Å; S793-M796 PolarHBondContact O-N 3.05Å; S794-M796 VanDerWaalsContact C-N 3.32Å; M796-N798 HydrophobicContact CB-CB 4.48Å; M796-N798 PolarHBondContact O-N 3.37Å; M796-N798 VanDerWaalsContact O-N 3.14Å
797A96.7Very high96.7Very high39 Ų3915.6 Ų15.632%0.3229%0.089SC..THydrogen-bonded Turntrans56.318.7-171.300000114.6S793 S794 A795 V799 A829S793-A797 PolarHBondContact O-N 3.38Å; S794-A797 PolarHBondContact O-N 3.29Å; A795-A797 VanDerWaalsContact C-N 3.3Å; A797-V799 PolarHBondContact O-N 3.47Å; A797-A829 HydrophobicContact CB-CB 4.49Å
798N97Very high96.6Very high26 Ų2615.6 Ų15.614%0.1399%0.089CC..  trans-78.496.1-176.9-174.3-30.6000110.4D760 S793 M796 V800 F801 T802D760-N798 PolarHBondContact OD1-ND2 3.12Å; S793-N798 PolarHBondContact O-N 2.82Å; M796-N798 HydrophobicContact CB-CB 4.48Å; M796-N798 PolarHBondContact O-N 3.37Å; M796-N798 VanDerWaalsContact O-N 3.14Å; N798-V800 VanDerWaalsContact C-N 3.33Å; N798-V800 PolarHBondContact O-N 2.77Å; N798-V800 PolarHBondContact OD1-N 2.82Å; N798-F801 HydrophobicContact CB-CB 4.27Å; N798-F801 HydrophobicContact CB-CD2 4.46Å; N798-F801 HydrophobicContact CB-CG 4.42Å; N798-F801 WeakPolarHBondContact ND2-CD2 3.47Å; N798-F801 WeakPolarHBondContact ND2-CG 3.25Å; N798-F801 PolarHBondContact OD1-N 3.18Å; N798-T802 WeakPolarHBondContact O-CB 3.42Å; N798-T802 PolarHBondContact O-N 3.46Å; N798-T802 PolarHBondContact O-OG1 3.48Å
799V96.3Very high96.4Very high18 Ų1816.6 Ų16.611%0.10910%0.101CC..Hα-helixtrans-57.8-41.6178.3-179.10000112E689 A692 A797 T802 Q803 E833 I837E689-V799 HydrophobicContact CB-CG1 4.35Å; A692-V799 HydrophobicContact CB-CG1 4.4Å; A797-V799 PolarHBondContact O-N 3.47Å; V799-T802 PolarHBondContact O-N 2.76Å; V799-Q803 WeakPolarHBondContact O-CB 2.92Å; V799-Q803 PolarHBondContact O-N 2.71Å; V799-E833 HydrophobicContact CG1-CB 4.36Å; V799-E833 HydrophobicContact CG2-CB 3.68Å; V799-I837 HydrophobicContact CG1-CD1 3.71Å
800V97.3Very high96.2Very high19 Ų1916.8 Ų16.812%0.11510%0.102CC..Hα-helixtrans-66-48.8-177.1175.80000110.8A692 V693 A696 L762 N798 Q803 L804A692-V800 HydrophobicContact CB-CG2 4.07Å; V693-V800 HydrophobicContact CG2-CB 4.49Å; V693-V800 HydrophobicContact CG2-CG1 4.19Å; A696-V800 HydrophobicContact CB-CG1 4.12Å; A696-V800 HydrophobicContact CB-CG2 4Å; L762-V800 HydrophobicContact CD1-CG1 3.98Å; N798-V800 VanDerWaalsContact C-N 3.33Å; N798-V800 PolarHBondContact O-N 2.77Å; N798-V800 PolarHBondContact OD1-N 2.82Å; V800-Q803 PolarHBondContact O-N 3.19Å; V800-L804 HydrophobicContact CG1-CD1 3.91Å; V800-L804 WeakPolarHBondContact O-CB 3.38Å; V800-L804 VanDerWaalsContact O-CG 3.31Å; V800-L804 WeakPolarHBondContact O-CG 3.26Å; V800-L804 PolarHBondContact O-N 3.4Å
801F98Very high96Very high3 Ų320 Ų201%0.01312%0.119CC..Hα-helixtrans-67.3-42.4178.1-70.56.6000111.2V757 L762 L765 N798 Q803 L804 L805V757-F801 HydrophobicContact CB-CD2 4.31Å; V757-F801 HydrophobicContact CG1-CD2 4.2Å; V757-F801 HydrophobicContact CG2-CD2 4.11Å; L762-F801 HydrophobicContact CB-CE1 3.85Å; L762-F801 HydrophobicContact CB-CZ 4.31Å; L762-F801 HydrophobicContact CD1-CD1 4.24Å; L762-F801 HydrophobicContact CD1-CE1 3.75Å; L762-F801 HydrophobicContact CG-CE1 4.39Å; L765-F801 HydrophobicContact CD1-CB 4.24Å; L765-F801 HydrophobicContact CD1-CD1 3.95Å; L765-F801 HydrophobicContact CD1-CD2 3.73Å; L765-F801 HydrophobicContact CD1-CE1 4.23Å; L765-F801 HydrophobicContact CD1-CE2 3.99Å; L765-F801 HydrophobicContact CD1-CG 3.7Å; L765-F801 HydrophobicContact CD1-CZ 4.24Å; L765-F801 HydrophobicContact CD2-CD1 4.1Å; L765-F801 HydrophobicContact CD2-CE1 4.34Å; N798-F801 HydrophobicContact CB-CB 4.27Å; N798-F801 HydrophobicContact CB-CD2 4.46Å; N798-F801 HydrophobicContact CB-CG 4.42Å; N798-F801 WeakPolarHBondContact ND2-CD2 3.47Å; N798-F801 WeakPolarHBondContact ND2-CG 3.25Å; N798-F801 PolarHBondContact OD1-N 3.18Å; F801-Q803 VanDerWaalsContact C-N 3.3Å; F801-Q803 PolarHBondContact O-N 2.9Å; F801-L804 PolarHBondContact O-N 3.41Å; F801-L805 WeakPolarHBondContact O-CB 3.42Å; F801-L805 WeakPolarHBondContact O-CD1 3.33Å; F801-L805 WeakPolarHBondContact O-CG 3.43Å; F801-L805 PolarHBondContact O-N 3.45Å
802T97.6Very high95.8Very high0 Ų020.8 Ų20.80%012%0.124CC..Hα-helixtrans-53.8-48.9174.9-580000110.3L790 N798 V799 I806 C834 I837 L838L790-T802 HydrophobicContact CD1-CG2 3.9Å; N798-T802 WeakPolarHBondContact O-CB 3.42Å; N798-T802 PolarHBondContact O-N 3.46Å; N798-T802 PolarHBondContact O-OG1 3.48Å; V799-T802 PolarHBondContact O-N 2.76Å; T802-I806 HydrophobicContact CG2-CD1 4.15Å; T802-I806 WeakPolarHBondContact O-CD1 3.43Å; T802-I806 WeakPolarHBondContact O-CG1 3.49Å; T802-I806 PolarHBondContact O-N 3.33Å; T802-C834 HydrophobicContact CG2-CB 4.49Å; T802-C834 PolarHBondContact OG1-SG 3.29Å; T802-I837 HydrophobicContact CG2-CG2 4.31Å; T802-L838 HydrophobicContact CG2-CD2 4.44Å; T802-L838 HydrophobicContact CG2-CG 4.33Å
803Q95.8Very high95.6Very high3 Ų327.8 Ų27.81%0.01415%0.149CC..Hα-helixtrans-70.7-38.8-178.6-173.160.894.200113.3V693 V799 V800 F801 W807V693-Q803 HydrophobicContact CG2-CB 3.98Å; V693-Q803 HydrophobicContact CG2-CG 4.04Å; V799-Q803 WeakPolarHBondContact O-CB 2.92Å; V799-Q803 PolarHBondContact O-N 2.71Å; V800-Q803 PolarHBondContact O-N 3.19Å; F801-Q803 VanDerWaalsContact C-N 3.3Å; F801-Q803 PolarHBondContact O-N 2.9Å; Q803-W807 HydrophobicContact CG-CD2 4.14Å; Q803-W807 HydrophobicContact CG-CE3 4.19Å; Q803-W807 HydrophobicContact CG-CH2 3.48Å; Q803-W807 VanDerWaalsContact CG-CH2 3.48Å; Q803-W807 HydrophobicContact CG-CZ2 3.4Å; Q803-W807 VanDerWaalsContact CG-CZ2 3.4Å; Q803-W807 HydrophobicContact CG-CZ3 3.9Å; Q803-W807 VanDerWaalsContact NE2-NE1 3.14Å; Q803-W807 PolarHBondContact O-N 2.94Å
804L96.9Very high95.3Very high1 Ų128.6 Ų28.61%0.00516%0.155CC..Hα-helixtrans-64.6-49.7176.3-76.1171000111.8V693 M697 L762 L765 V766 L769 V800 F801 I806 W807 Y808V693-L804 HydrophobicContact CG1-CD2 3.94Å; V693-L804 HydrophobicContact CG1-CG 4.2Å; M697-L804 HydrophobicContact SD-CD1 4.09Å; M697-L804 HydrophobicContact SD-CD2 4.08Å; L762-L804 HydrophobicContact CD1-CD1 3.81Å; L765-L804 HydrophobicContact CD2-CB 4.36Å; L765-L804 HydrophobicContact CD2-CD1 3.79Å; V766-L804 HydrophobicContact CG2-CD1 4.17Å; L769-L804 HydrophobicContact CD1-CB 4.2Å; V800-L804 HydrophobicContact CG1-CD1 3.91Å; V800-L804 WeakPolarHBondContact O-CB 3.38Å; V800-L804 VanDerWaalsContact O-CG 3.31Å; V800-L804 WeakPolarHBondContact O-CG 3.26Å; V800-L804 PolarHBondContact O-N 3.4Å; F801-L804 PolarHBondContact O-N 3.41Å; L804-I806 VanDerWaalsContact C-N 3.27Å; L804-I806 PolarHBondContact O-N 3.42Å; L804-W807 HydrophobicContact CD2-CE3 4.28Å; L804-W807 CarbonylContact O-C 3.59Å; L804-W807 WeakPolarHBondContact O-CA 3.32Å; L804-W807 WeakPolarHBondContact O-CB 3.16Å; L804-W807 PolarHBondContact O-N 2.92Å; L804-Y808 WeakPolarHBondContact O-CD2 3.39Å; L804-Y808 PolarHBondContact O-N 3.13Å
805L96.9Very high95.2Very high0 Ų035.9 Ų35.90%018%0.183CC..Hα-helixtrans-58-40.4-179.6-69.9164.3000111.7L753 V757 L769 A789 L790 S793 F801 W807 Y808 G809 V810L753-L805 HydrophobicContact CD1-CD2 4.35Å; L753-L805 HydrophobicContact CD2-CD2 4.07Å; L753-L805 HydrophobicContact CG-CD2 4.41Å; V757-L805 HydrophobicContact CG2-CD1 4.25Å; L769-L805 HydrophobicContact CD1-CD2 4.44Å; L769-L805 HydrophobicContact CD2-CD2 4.14Å; A789-L805 HydrophobicContact CB-CD1 3.88Å; A789-L805 HydrophobicContact CB-CD2 3.75Å; A789-L805 HydrophobicContact CB-CG 4.49Å; A789-L805 WeakPolarHBondContact O-CD1 3.44Å; L790-L805 HydrophobicContact CD1-CB 4.47Å; S793-L805 WeakPolarHBondContact OG-CD1 3.4Å; F801-L805 WeakPolarHBondContact O-CB 3.42Å; F801-L805 WeakPolarHBondContact O-CD1 3.33Å; F801-L805 WeakPolarHBondContact O-CG 3.43Å; F801-L805 PolarHBondContact O-N 3.45Å; L805-W807 VanDerWaalsContact C-N 3.33Å; L805-W807 PolarHBondContact O-N 3.22Å; L805-Y808 CarbonylContact O-C 3.55Å; L805-Y808 PolarHBondContact O-N 2.95Å; L805-G809 PolarHBondContact O-N 3.21Å; L805-G809 VanDerWaalsContact O-N 3.13Å; L805-V810 VanDerWaalsContact C-CG1 3.49Å; L805-V810 HydrophobicContact CB-CB 4.33Å; L805-V810 HydrophobicContact CB-CG1 3.87Å; L805-V810 WeakPolarHBondContact O-CG1 3.4Å; L805-V810 PolarHBondContact O-N 3.44Å; L805-V810 VanDerWaalsContact O-N 3.13Å
806I94.6Very high95.1Very high15 Ų1534.3 Ų34.38%0.07717%0.169CC..Hα-helixtrans-62.2-38.2173.6-69171.3000111.8L790 T802 L804 G809 V810 V812 I837 L838 H841L790-I806 HydrophobicContact CD1-CD1 4.25Å; L790-I806 HydrophobicContact CD1-CG1 4.01Å; L790-I806 HydrophobicContact CD2-CG1 4.38Å; T802-I806 HydrophobicContact CG2-CD1 4.15Å; T802-I806 WeakPolarHBondContact O-CD1 3.43Å; T802-I806 WeakPolarHBondContact O-CG1 3.49Å; T802-I806 PolarHBondContact O-N 3.33Å; L804-I806 VanDerWaalsContact C-N 3.27Å; L804-I806 PolarHBondContact O-N 3.42Å; I806-G809 PolarHBondContact O-N 3.46Å; I806-V810 HydrophobicContact CG1-CG1 4.35Å; I806-V812 HydrophobicContact CD1-CG2 4.44Å; I806-V812 HydrophobicContact CG1-CG2 3.93Å; I806-V812 HydrophobicContact CG2-CG2 4.35Å; I806-I837 HydrophobicContact CD1-CG2 3.61Å; I806-L838 HydrophobicContact CD1-CD2 4.22Å; I806-H841 HydrophobicContact CD1-CB 4.48Å; I806-H841 HydrophobicContact CG2-CB 4.2Å; I806-H841 WeakPolarHBondContact CG2-ND1 3.35Å
807W93.7Very high94.9Very high23 Ų2333.8 Ų33.89%0.08718%0.176CC..Hα-helixtrans-73.9-24.3177.2-73.3-15.5000114.4L654 N655 R677 L690 V693 Q803 L804 L805L654-W807 VanDerWaalsContact C-CZ3 3.48Å; L654-W807 HydrophobicContact CB-CE3 4.46Å; L654-W807 HydrophobicContact CB-CH2 3.65Å; L654-W807 HydrophobicContact CB-CZ2 4.11Å; L654-W807 HydrophobicContact CB-CZ3 3.83Å; L654-W807 HydrophobicContact CD1-CZ2 4.36Å; L654-W807 HydrophobicContact CG-CH2 4.5Å; L654-W807 VanDerWaalsContact O-CZ3 3.28Å; L654-W807 WeakPolarHBondContact O-CZ3 3.45Å; N655-W807 HydrophobicContact CB-CB 4.11Å; N655-W807 HydrophobicContact CB-CD2 4.33Å; N655-W807 HydrophobicContact CB-CE3 3.94Å; N655-W807 HydrophobicContact CB-CG 4.45Å; R677-W807 VanDerWaalsContact CZ-O 3.29Å; R677-W807 PolarHBondContact NH1-O 2.87Å; R677-W807 PolarHBondContact NH2-O 3.04Å; L690-W807 HydrophobicContact CD2-CH2 3.69Å; L690-W807 HydrophobicContact CD2-CZ2 3.46Å; L690-W807 VanDerWaalsContact CD2-CZ2 3.46Å; V693-W807 HydrophobicContact CB-CZ3 4.31Å; V693-W807 HydrophobicContact CG1-CZ3 4.07Å; V693-W807 HydrophobicContact CG2-CH2 4.33Å; V693-W807 HydrophobicContact CG2-CZ3 4.12Å; Q803-W807 HydrophobicContact CG-CD2 4.14Å; Q803-W807 HydrophobicContact CG-CE3 4.19Å; Q803-W807 HydrophobicContact CG-CH2 3.48Å; Q803-W807 VanDerWaalsContact CG-CH2 3.48Å; Q803-W807 HydrophobicContact CG-CZ2 3.4Å; Q803-W807 VanDerWaalsContact CG-CZ2 3.4Å; Q803-W807 HydrophobicContact CG-CZ3 3.9Å; Q803-W807 VanDerWaalsContact NE2-NE1 3.14Å; Q803-W807 PolarHBondContact O-N 2.94Å; L804-W807 HydrophobicContact CD2-CE3 4.28Å; L804-W807 CarbonylContact O-C 3.59Å; L804-W807 WeakPolarHBondContact O-CA 3.32Å; L804-W807 WeakPolarHBondContact O-CB 3.16Å; L804-W807 PolarHBondContact O-N 2.92Å; L805-W807 VanDerWaalsContact C-N 3.33Å; L805-W807 PolarHBondContact O-N 3.22Å
808Y94.6Very high94.7Very high47 Ų4739.5 Ų39.518%0.18419%0.19CC..THydrogen-bonded Turntrans-94.45.9174.5-77.9-95.8000113.7N655 L769 L804 L805N655-Y808 HydrophobicContact CB-CE2 4.27Å; N655-Y808 PolarHBondContact O-OH 2.83Å; L769-Y808 HydrophobicContact CB-CD1 3.78Å; L769-Y808 HydrophobicContact CB-CD2 4.14Å; L769-Y808 HydrophobicContact CB-CE1 3.99Å; L769-Y808 HydrophobicContact CB-CE2 4.34Å; L769-Y808 HydrophobicContact CB-CG 3.86Å; L769-Y808 HydrophobicContact CD1-CD2 3.85Å; L769-Y808 HydrophobicContact CD1-CE2 4.41Å; L769-Y808 HydrophobicContact CD1-CG 4.07Å; L769-Y808 HydrophobicContact CD2-CG 4.28Å; L769-Y808 HydrophobicContact CG-CD2 4.5Å; L769-Y808 HydrophobicContact CG-CG 4.29Å; L769-Y808 WeakPolarHBondContact O-CD1 3.46Å; L769-Y808 WeakPolarHBondContact O-CE1 3.35Å; L804-Y808 WeakPolarHBondContact O-CD2 3.39Å; L804-Y808 PolarHBondContact O-N 3.13Å; L805-Y808 CarbonylContact O-C 3.55Å; L805-Y808 PolarHBondContact O-N 2.95Å
809G91.1Very high94.5Very high27 Ų2740 Ų4028%0.27820%0.2SC..THydrogen-bonded Turntrans96.520.6163.400000116.5N778 L805 I806N778-G809 PolarHBondContact ND2-O 3.14Å; L805-G809 PolarHBondContact O-N 3.21Å; L805-G809 VanDerWaalsContact O-N 3.13Å; I806-G809 PolarHBondContact O-N 3.46Å
810V94.2Very high94.4Very high6 Ų641.4 Ų41.44%0.03621%0.207CC..  trans-60.2144.6168.381.40000111V777 N778 L790 L805 I806 V812V777-V810 HydrophobicContact CG1-CB 4.06Å; N778-V810 WeakPolarHBondContact OD1-CA 3.49Å; L790-V810 HydrophobicContact CB-CG1 3.9Å; L790-V810 HydrophobicContact CB-CG2 3.99Å; L790-V810 HydrophobicContact CD1-CG1 4.22Å; L790-V810 HydrophobicContact CD2-CG1 3.71Å; L790-V810 HydrophobicContact CG-CG1 4.14Å; L805-V810 VanDerWaalsContact C-CG1 3.49Å; L805-V810 HydrophobicContact CB-CB 4.33Å; L805-V810 HydrophobicContact CB-CG1 3.87Å; L805-V810 WeakPolarHBondContact O-CG1 3.4Å; L805-V810 PolarHBondContact O-N 3.44Å; L805-V810 VanDerWaalsContact O-N 3.13Å; I806-V810 HydrophobicContact CG1-CG1 4.35Å; V810-V812 PolarHBondContact O-N 3.24Å
811D92Very high94.3Very high67 Ų6740.8 Ų40.836%0.35820%0.203SC..  trans-76.6107.9177.7-178.126.6000111.3N778 R813 S814N778-D811 PolarHBondContact OD1-N 2.72Å; D811-R813 PolarHBondContact O-N 3.27Å; D811-R813 VanDerWaalsContact O-N 3.14Å; D811-R813 WeakPolarHBondContact OD1-CB 3.41Å; D811-R813 PolarHBondContact OD1-N 2.69Å; D811-S814 VanDerWaalsContact O-CB 3.3Å; D811-S814 WeakPolarHBondContact O-CB 3.36Å; D811-S814 PolarHBondContact O-N 3.31Å; D811-S814 VanDerWaalsContact O-N 3.09Å; D811-S814 PolarHBondContact O-OG 3.31Å; D811-S814 PolarHBondContact OD2-N 3.42Å; D811-S814 VanDerWaalsContact OD2-N 3.09Å
812V94.5Very high94.3Very high16 Ų1640.6 Ų40.610%0.09720%0.203CC..THydrogen-bonded Turntrans-63.2-13.5174.4-172.30000112.4L790 I806 V810 L838 H841 C843L790-V812 HydrophobicContact CD2-CB 4.46Å; L790-V812 HydrophobicContact CD2-CG2 4.29Å; I806-V812 HydrophobicContact CD1-CG2 4.44Å; I806-V812 HydrophobicContact CG1-CG2 3.93Å; I806-V812 HydrophobicContact CG2-CG2 4.35Å; V810-V812 PolarHBondContact O-N 3.24Å; V812-L838 HydrophobicContact CG1-CD2 4.15Å; V812-H841 HydrophobicContact CG1-CB 4.12Å; V812-H841 HydrophobicContact CG2-CB 4.32Å; V812-C843 HydrophobicContact CG1-CB 3.66Å; V812-C843 PolarHBondContact O-SG 3.29Å
813R91.3Very high94.2Very high155 Ų15540.8 Ų40.859%0.58520%0.204SC*.THydrogen-bonded Turntrans-102.70.8176.2-48.2-163.6-17584.88.3114.6D811 P844D811-R813 PolarHBondContact O-N 3.27Å; D811-R813 VanDerWaalsContact O-N 3.14Å; D811-R813 WeakPolarHBondContact OD1-CB 3.41Å; D811-R813 PolarHBondContact OD1-N 2.69Å; R813-P844 HydrophobicContact CB-CG 4.46Å
814S92.9Very high94.3Very high17 Ų1741.1 Ų41.112%0.11921%0.207CC..  trans-56.4156.7176.556.70000111.8T788 H791 D811 P822T788-S814 PolarHBondContact OG1-OG 3.34Å; H791-S814 PolarHBondContact CE1-OG 3.09Å; D811-S814 VanDerWaalsContact O-CB 3.3Å; D811-S814 WeakPolarHBondContact O-CB 3.36Å; D811-S814 PolarHBondContact O-N 3.31Å; D811-S814 VanDerWaalsContact O-N 3.09Å; D811-S814 PolarHBondContact O-OG 3.31Å; D811-S814 PolarHBondContact OD2-N 3.42Å; D811-S814 VanDerWaalsContact OD2-N 3.09Å; S814-P822 WeakPolarHBondContact O-CD 3.38Å
815R94.3Very high94.3Very high153 Ų15341.4 Ų41.458%0.57721%0.208SC*.  trans-136.4145.1179.1-71.6178.6174.3-166.4-4.9110.6G819 L820 T821R815-G819 WeakPolarHBondContact CD-O 3.29Å; R815-L820 CarbonylContact C-O 3.57Å; R815-L820 WeakPolarHBondContact CA-O 3.42Å; R815-T821 HydrophobicContact CG-CG2 3.91Å
816D93.9Very high94.3Very high8 Ų841.4 Ų41.44%0.04321%0.208CC..  trans-69.1173169.684-11.7000111.7R787 H791 R818 G819 L820 Y825R787-D816 HydrophobicContact CG-CB 4.45Å; H791-D816 PolarHBondContact NE2-N 3.17Å; D816-R818 PolarHBondContact O-N 2.95Å; D816-R818 VanDerWaalsContact OD1-C 3.29Å; D816-R818 VanDerWaalsContact OD1-CA 3.29Å; D816-R818 WeakPolarHBondContact OD1-CA 3.39Å; D816-R818 WeakPolarHBondContact OD1-CB 3.18Å; D816-R818 PolarHBondContact OD1-N 3.07Å; D816-R818 IonicContact OD2-CZ 3.12Å; D816-R818 IonicContact OD2-NE 2.9Å; D816-R818 PolarHBondContact OD2-NE 3.4Å; D816-R818 IonicContact OD2-NH2 3.75Å; D816-R818 PolarHBondContact OD2-NH2 2.63Å; D816-G819 PolarHBondContact O-N 2.9Å; D816-G819 PolarHBondContact OD1-N 3.11Å; D816-L820 PolarHBondContact N-O 3.31Å; D816-L820 WeakPolarHBondContact OD1-CB 2.96Å; D816-L820 PolarHBondContact OD1-N 3.41Å; D816-Y825 PolarHBondContact OD2-OH 3.31Å
817A93.4Very high94.4Very high66 Ų6646.6 Ų46.655%0.54523%0.227SC..THydrogen-bonded Turntrans-63-5.9178.600000114.3D785D785-A817 WeakPolarHBondContact O-CB 3.31Å; D785-A817 PolarHBondContact O-N 3.26Å
818R92.3Very high94.5Very high160 Ų16053.7 Ų53.760%0.60425%0.253SS*.THydrogen-bonded Turntrans-1060.9174.9-54.5171.5-64.1-167-3.3112.3D816 L820 Y825D816-R818 PolarHBondContact O-N 2.95Å; D816-R818 VanDerWaalsContact OD1-C 3.29Å; D816-R818 VanDerWaalsContact OD1-CA 3.29Å; D816-R818 WeakPolarHBondContact OD1-CA 3.39Å; D816-R818 WeakPolarHBondContact OD1-CB 3.18Å; D816-R818 PolarHBondContact OD1-N 3.07Å; D816-R818 IonicContact OD2-CZ 3.12Å; D816-R818 IonicContact OD2-NE 2.9Å; D816-R818 PolarHBondContact OD2-NE 3.4Å; D816-R818 IonicContact OD2-NH2 3.75Å; D816-R818 PolarHBondContact OD2-NH2 2.63Å; R818-L820 HydrophobicContact CB-CG 4.44Å; R818-Y825 PolarHBondContact NH2-OH 3.39Å
819G92.2Very high94.6Very high35 Ų3553.5 Ų53.536%0.36126%0.262SS..SBendtrans83.35.3-179.400000115.3R815 D816R815-G819 WeakPolarHBondContact CD-O 3.29Å; D816-G819 PolarHBondContact O-N 2.9Å; D816-G819 PolarHBondContact OD1-N 3.11Å
820L94.6Very high94.8Very high49 Ų4954.5 Ų54.526%0.25727%0.272SS..  trans-74.1144.2177.8-58.4-179.2000110.5H791 R815 D816 R818 A824 Y825H791-L820 PolarHBondContact NE2-O 3.03Å; R815-L820 CarbonylContact C-O 3.57Å; R815-L820 WeakPolarHBondContact CA-O 3.42Å; D816-L820 PolarHBondContact N-O 3.31Å; D816-L820 WeakPolarHBondContact OD1-CB 2.96Å; D816-L820 PolarHBondContact OD1-N 3.41Å; R818-L820 HydrophobicContact CB-CG 4.44Å; L820-A824 HydrophobicContact CB-CB 4.32Å; L820-A824 HydrophobicContact CD2-CB 4.48Å; L820-Y825 HydrophobicContact CB-CD2 4.41Å; L820-Y825 HydrophobicContact CB-CE2 4.02Å; L820-Y825 HydrophobicContact CD1-CE2 4.23Å
821T96.3Very high94.9Very high5 Ų554.9 Ų54.93%0.03128%0.275CS..  trans-98.5164.6177.363.50000111.1R815 L823 A824 Y825 P844R815-T821 HydrophobicContact CG-CG2 3.91Å; T821-L823 PolarHBondContact O-N 3.08Å; T821-L823 VanDerWaalsContact O-N 3.15Å; T821-A824 WeakPolarHBondContact O-CB 3.3Å; T821-A824 PolarHBondContact O-N 3.39Å; T821-Y825 PolarHBondContact O-N 3.3Å; T821-P844 HydrophobicContact CG2-CG 4.05Å; T821-P844 PolarHBondContact OG1-O 3.15Å
822P96.8Very high94.9Very high0 Ų057.8 Ų57.80%029%0.286CS..Hα-helixtrans-55.6-32.2173.2-26.234.9000113L790 H791 S794 S814 A824 Y825 A826 L838L790-P822 HydrophobicContact CB-CG 4.27Å; L790-P822 HydrophobicContact CD2-CB 4.12Å; L790-P822 HydrophobicContact CD2-CG 3.84Å; L790-P822 HydrophobicContact CG-CB 3.87Å; L790-P822 HydrophobicContact CG-CG 3.89Å; H791-P822 WeakPolarHBondContact NE2-CD 3.26Å; S794-P822 WeakPolarHBondContact CB-O 3.33Å; S814-P822 WeakPolarHBondContact O-CD 3.38Å; P822-A824 VanDerWaalsContact C-N 3.33Å; P822-A824 PolarHBondContact O-N 3.33Å; P822-Y825 WeakPolarHBondContact O-CB 3.29Å; P822-Y825 PolarHBondContact O-N 3Å; P822-Y825 VanDerWaalsContact O-N 3.13Å; P822-A826 PolarHBondContact O-N 2.85Å; P822-L838 HydrophobicContact CB-CD1 4.04Å; P822-L838 HydrophobicContact CB-CD2 4Å
823L96.9Very high94.8Very high3 Ų362 Ų622%0.01631%0.305CS..Hα-helixtrans-65.8-32.5176.2178.159000112.7T821 R827 A835 L838 I839 C843T821-L823 PolarHBondContact O-N 3.08Å; T821-L823 VanDerWaalsContact O-N 3.15Å; L823-R827 HydrophobicContact CD1-CG 4.31Å; L823-R827 WeakPolarHBondContact O-CB 3.36Å; L823-R827 WeakPolarHBondContact O-CD 3.5Å; L823-R827 VanDerWaalsContact O-CG 3.23Å; L823-R827 WeakPolarHBondContact O-CG 3.2Å; L823-R827 PolarHBondContact O-N 3.18Å; L823-R827 VanDerWaalsContact O-N 3.07Å; L823-A835 HydrophobicContact CD1-CB 3.65Å; L823-L838 HydrophobicContact CB-CB 4.41Å; L823-L838 HydrophobicContact CB-CD1 4.33Å; L823-L838 HydrophobicContact CD1-CB 4.37Å; L823-I839 HydrophobicContact CD1-CD1 4.14Å; L823-I839 HydrophobicContact CD1-CG1 4.02Å; L823-I839 HydrophobicContact CD2-CD1 4.33Å; L823-I839 HydrophobicContact CD2-CG1 3.75Å; L823-C843 HydrophobicContact CB-CB 4.23Å; L823-C843 VanDerWaalsContact CB-SG 3.55Å
824A96.3Very high95.1Very high11 Ų1154.6 Ų54.69%0.09128%0.277CS..Hα-helixtrans-66.1-40.1171.400000111.3L820 T821 P822 R828 E846L820-A824 HydrophobicContact CB-CB 4.32Å; L820-A824 HydrophobicContact CD2-CB 4.48Å; T821-A824 WeakPolarHBondContact O-CB 3.3Å; T821-A824 PolarHBondContact O-N 3.39Å; P822-A824 VanDerWaalsContact C-N 3.33Å; P822-A824 PolarHBondContact O-N 3.33Å; A824-R828 VanDerWaalsContact O-CB 3.29Å; A824-R828 WeakPolarHBondContact O-CB 3Å; A824-R828 PolarHBondContact O-N 2.66Å; A824-E846 HydrophobicContact CB-CG 4.44Å; A824-E846 WeakPolarHBondContact CB-OE1 3.36Å
825Y97Very high95.2Very high6 Ų654 Ų542%0.02427%0.273CS..Hα-helixtrans-65.8-47174.8-82-103.9000112.5R787 H791 A795 D816 R818 L820 T821 P822 R827 R828 A829R787-Y825 WeakPolarHBondContact CD-OH 3.41Å; R787-Y825 HydrophobicContact CG-CE1 4.5Å; R787-Y825 VanDerWaalsContact CG-OH 3.3Å; R787-Y825 WeakPolarHBondContact CG-OH 3.49Å; H791-Y825 HydrophobicContact CB-CE2 4.49Å; H791-Y825 AromaticContact CD2-CD2 3.84Å; H791-Y825 AromaticContact CD2-CE2 3.72Å; A795-Y825 HydrophobicContact CB-CD1 3.66Å; A795-Y825 HydrophobicContact CB-CE1 4.35Å; D816-Y825 PolarHBondContact OD2-OH 3.31Å; R818-Y825 PolarHBondContact NH2-OH 3.39Å; L820-Y825 HydrophobicContact CB-CD2 4.41Å; L820-Y825 HydrophobicContact CB-CE2 4.02Å; L820-Y825 HydrophobicContact CD1-CE2 4.23Å; T821-Y825 PolarHBondContact O-N 3.3Å; P822-Y825 WeakPolarHBondContact O-CB 3.29Å; P822-Y825 PolarHBondContact O-N 3Å; P822-Y825 VanDerWaalsContact O-N 3.13Å; Y825-R827 VanDerWaalsContact C-N 3.34Å; Y825-R827 PolarHBondContact O-N 3.11Å; Y825-R828 VanDerWaalsContact CE1-NH2 3.28Å; Y825-R828 PolarHBondContact O-N 3.15Å; Y825-R828 VanDerWaalsContact O-N 3.16Å; Y825-A829 WeakPolarHBondContact O-CB 3.48Å; Y825-A829 PolarHBondContact O-N 3.44Å
826A97Very high95.1Very high0 Ų051.3 Ų51.30%027%0.27CS..Hα-helixtrans-58.1-44.717700000112S794 P822 A829 G830 S831 C834 A835 L838S794-A826 WeakPolarHBondContact O-CA 3.34Å; P822-A826 PolarHBondContact O-N 2.85Å; A826-A829 CarbonylContact O-C 3.6Å; A826-A829 PolarHBondContact O-N 2.99Å; A826-G830 PolarHBondContact O-N 3.21Å; A826-G830 VanDerWaalsContact O-N 3.11Å; A826-S831 PolarHBondContact O-N 3.32Å; A826-C834 HydrophobicContact CB-CB 3.76Å; A826-A835 HydrophobicContact CB-CB 4.33Å; A826-L838 HydrophobicContact CB-CD1 3.89Å
827R96.4Very high95.1Very high125 Ų12551.1 Ų51.147%0.47227%0.269SS..Hα-helixtrans-62.9-42.4174.7-73.9171.2175.2-171-2.3112.5L823 Y825 A829 G830 A835L823-R827 HydrophobicContact CD1-CG 4.31Å; L823-R827 WeakPolarHBondContact O-CB 3.36Å; L823-R827 WeakPolarHBondContact O-CD 3.5Å; L823-R827 VanDerWaalsContact O-CG 3.23Å; L823-R827 WeakPolarHBondContact O-CG 3.2Å; L823-R827 PolarHBondContact O-N 3.18Å; L823-R827 VanDerWaalsContact O-N 3.07Å; Y825-R827 VanDerWaalsContact C-N 3.34Å; Y825-R827 PolarHBondContact O-N 3.11Å; R827-A829 VanDerWaalsContact C-N 3.31Å; R827-A829 PolarHBondContact O-N 3Å; R827-G830 PolarHBondContact O-N 2.91Å; R827-A835 HydrophobicContact CG-CB 4.5Å
828R96.2Very high95.1Very high171 Ų17148 Ų4865%0.64524%0.243SC*.Hα-helixtrans-67.6-29.3177.3-172.7171.864.1130.12.8112.9A824 Y825 G830A824-R828 VanDerWaalsContact O-CB 3.29Å; A824-R828 WeakPolarHBondContact O-CB 3Å; A824-R828 PolarHBondContact O-N 2.66Å; Y825-R828 VanDerWaalsContact CE1-NH2 3.28Å; Y825-R828 PolarHBondContact O-N 3.15Å; Y825-R828 VanDerWaalsContact O-N 3.16Å; R828-G830 VanDerWaalsContact C-N 3.29Å
829A96.5Very high95.1Very high43 Ų4344.3 Ų44.336%0.35524%0.235SC..THydrogen-bonded Turntrans-79.9-7.5170.800000113.5A795 A797 Y825 A826 R827 S831A795-A829 WeakPolarHBondContact O-CB 3.46Å; A797-A829 HydrophobicContact CB-CB 4.49Å; Y825-A829 WeakPolarHBondContact O-CB 3.48Å; Y825-A829 PolarHBondContact O-N 3.44Å; A826-A829 CarbonylContact O-C 3.6Å; A826-A829 PolarHBondContact O-N 2.99Å; R827-A829 VanDerWaalsContact C-N 3.31Å; R827-A829 PolarHBondContact O-N 3Å; A829-S831 VanDerWaalsContact C-N 3.26Å; A829-S831 PolarHBondContact O-N 3.27Å
830G95.9Very high95Very high48 Ų4848.6 Ų48.650%0.49525%0.246SC..THydrogen-bonded Turntrans79.1-2.5-177.200000115.2A826 R827 R828 Q832A826-G830 PolarHBondContact O-N 3.21Å; A826-G830 VanDerWaalsContact O-N 3.11Å; R827-G830 PolarHBondContact O-N 2.91Å; R828-G830 VanDerWaalsContact C-N 3.29Å; G830-Q832 PolarHBondContact O-N 2.92Å; G830-Q832 VanDerWaalsContact O-N 3.13Å; G830-Q832 PolarHBondContact O-NE2 2.94Å
831S95.5Very high94.7Very high15 Ų1549.8 Ų49.811%0.10525%0.249CC..  trans-72.9104.9-175.2-173.50000111.9A826 A829 C834 A835A826-S831 PolarHBondContact O-N 3.32Å; A829-S831 VanDerWaalsContact C-N 3.26Å; A829-S831 PolarHBondContact O-N 3.27Å; S831-C834 WeakPolarHBondContact OG-CB 3.28Å; S831-C834 PolarHBondContact OG-N 3.3Å; S831-C834 PolarHBondContact OG-SG 3.36Å; S831-C834 VanDerWaalsContact OG-SG 3.34Å; S831-A835 WeakPolarHBondContact O-CB 3.38Å; S831-A835 PolarHBondContact O-N 3Å
832Q93.5Very high94.3Very high127 Ų12751.2 Ų51.259%0.59327%0.265SS*.Hα-helixtrans-68.5-42172.1-58.5-51.6-73.800110.9G830 C834 A835 D836G830-Q832 PolarHBondContact O-N 2.92Å; G830-Q832 VanDerWaalsContact O-N 3.13Å; G830-Q832 PolarHBondContact O-NE2 2.94Å; Q832-C834 PolarHBondContact O-N 3.31Å; Q832-A835 CarbonylContact O-C 3.27Å; Q832-A835 WeakPolarHBondContact O-CA 3.42Å; Q832-A835 WeakPolarHBondContact O-CB 3.28Å; Q832-A835 PolarHBondContact O-N 3.13Å; Q832-D836 PolarHBondContact O-N 3.47Å
833E92.5Very high93.8Very high104 Ų10451.7 Ų51.749%0.48627%0.268SS..Hα-helixtrans-61-45.9-179.1-67.4178.6-148.700112V799 A835 D836 I837V799-E833 HydrophobicContact CG1-CB 4.36Å; V799-E833 HydrophobicContact CG2-CB 3.68Å; E833-A835 VanDerWaalsContact C-N 3.34Å; E833-A835 PolarHBondContact O-N 2.96Å; E833-D836 PolarHBondContact O-N 2.98Å; E833-I837 WeakPolarHBondContact O-CD1 3.35Å; E833-I837 WeakPolarHBondContact O-CG1 3.44Å; E833-I837 PolarHBondContact O-N 3.11Å; E833-I837 VanDerWaalsContact O-N 3.11Å
834C96Very high93.1Very high0 Ų053.7 Ų53.70%028%0.281CS..Hα-helixtrans-62.6-40.2172.2-68.80000111.8T802 A826 S831 Q832 L838T802-C834 HydrophobicContact CG2-CB 4.49Å; T802-C834 PolarHBondContact OG1-SG 3.29Å; A826-C834 HydrophobicContact CB-CB 3.76Å; S831-C834 WeakPolarHBondContact OG-CB 3.28Å; S831-C834 PolarHBondContact OG-N 3.3Å; S831-C834 PolarHBondContact OG-SG 3.36Å; S831-C834 VanDerWaalsContact OG-SG 3.34Å; Q832-C834 PolarHBondContact O-N 3.31Å; C834-L838 WeakPolarHBondContact O-CB 3.31Å; C834-L838 VanDerWaalsContact O-CD1 3.29Å; C834-L838 WeakPolarHBondContact O-CD1 3.36Å; C834-L838 WeakPolarHBondContact O-CG 3.43Å; C834-L838 PolarHBondContact O-N 3.38Å
835A95.6Very high92.1Very high4 Ų455.2 Ų55.23%0.03330%0.298CS..Hα-helixtrans-65.3-41.4179.800000112.5L823 A826 R827 S831 Q832 E833 L838 I839L823-A835 HydrophobicContact CD1-CB 3.65Å; A826-A835 HydrophobicContact CB-CB 4.33Å; R827-A835 HydrophobicContact CG-CB 4.5Å; S831-A835 WeakPolarHBondContact O-CB 3.38Å; S831-A835 PolarHBondContact O-N 3Å; Q832-A835 CarbonylContact O-C 3.27Å; Q832-A835 WeakPolarHBondContact O-CA 3.42Å; Q832-A835 WeakPolarHBondContact O-CB 3.28Å; Q832-A835 PolarHBondContact O-N 3.13Å; E833-A835 VanDerWaalsContact C-N 3.34Å; E833-A835 PolarHBondContact O-N 2.96Å; A835-L838 PolarHBondContact O-N 3.04Å; A835-I839 WeakPolarHBondContact O-CB 3.46Å; A835-I839 WeakPolarHBondContact O-CD1 3.39Å; A835-I839 WeakPolarHBondContact O-CG1 3.4Å; A835-I839 PolarHBondContact O-N 3.41Å
836D92.7Very high90.6Very high98 Ų9860.6 Ų60.652%0.52432%0.324SS..Hα-helixtrans-67.5-44.5179-74.9-27.5000111.5Q832 E833 L838 I839 Q840Q832-D836 PolarHBondContact O-N 3.47Å; E833-D836 PolarHBondContact O-N 2.98Å; D836-L838 VanDerWaalsContact C-N 3.32Å; D836-L838 PolarHBondContact O-N 3.49Å; D836-I839 PolarHBondContact O-N 2.83Å; D836-Q840 VanDerWaalsContact O-CB 3.24Å; D836-Q840 WeakPolarHBondContact O-CB 3.34Å; D836-Q840 PolarHBondContact O-N 2.82Å
837I92.6Very high88.1Confident3 Ų363.8 Ų63.82%0.01536%0.357CS..Hα-helixtrans-57-46.6172.9-66.7163.7000110.6E689 V799 T802 I806 E833 Q840 H841E689-I837 HydrophobicContact CB-CD1 3.57Å; E689-I837 HydrophobicContact CB-CG1 3.88Å; E689-I837 HydrophobicContact CG-CD1 4.26Å; E689-I837 HydrophobicContact CG-CG1 4.05Å; V799-I837 HydrophobicContact CG1-CD1 3.71Å; T802-I837 HydrophobicContact CG2-CG2 4.31Å; I806-I837 HydrophobicContact CD1-CG2 3.61Å; E833-I837 WeakPolarHBondContact O-CD1 3.35Å; E833-I837 WeakPolarHBondContact O-CG1 3.44Å; E833-I837 PolarHBondContact O-N 3.11Å; E833-I837 VanDerWaalsContact O-N 3.11Å; I837-Q840 PolarHBondContact O-N 3.24Å; I837-H841 WeakPolarHBondContact O-CB 3.28Å; I837-H841 PolarHBondContact O-CD2 3.45Å; I837-H841 PolarHBondContact O-N 3.11Å
838L94Very high84.8Confident0 Ų064.9 Ų64.90%038%0.382CS..Hα-helixtrans-64.9-40.4179.9-72.6166.9000111.9L790 T802 I806 V812 P822 L823 A826 C834 A835 D836 H841 G842 C843L790-L838 HydrophobicContact CD1-CD2 4.15Å; L790-L838 HydrophobicContact CD2-CD2 3.82Å; L790-L838 HydrophobicContact CG-CD2 4.14Å; T802-L838 HydrophobicContact CG2-CD2 4.44Å; T802-L838 HydrophobicContact CG2-CG 4.33Å; I806-L838 HydrophobicContact CD1-CD2 4.22Å; V812-L838 HydrophobicContact CG1-CD2 4.15Å; P822-L838 HydrophobicContact CB-CD1 4.04Å; P822-L838 HydrophobicContact CB-CD2 4Å; L823-L838 HydrophobicContact CB-CB 4.41Å; L823-L838 HydrophobicContact CB-CD1 4.33Å; L823-L838 HydrophobicContact CD1-CB 4.37Å; A826-L838 HydrophobicContact CB-CD1 3.89Å; C834-L838 WeakPolarHBondContact O-CB 3.31Å; C834-L838 VanDerWaalsContact O-CD1 3.29Å; C834-L838 WeakPolarHBondContact O-CD1 3.36Å; C834-L838 WeakPolarHBondContact O-CG 3.43Å; C834-L838 PolarHBondContact O-N 3.38Å; A835-L838 PolarHBondContact O-N 3.04Å; D836-L838 VanDerWaalsContact C-N 3.32Å; D836-L838 PolarHBondContact O-N 3.49Å; L838-H841 PolarHBondContact O-N 3.36Å; L838-G842 PolarHBondContact O-N 3.33Å; L838-G842 VanDerWaalsContact O-N 3.13Å; L838-C843 HydrophobicContact CB-CB 3.85Å; L838-C843 HydrophobicContact CD2-CB 4.45Å; L838-C843 WeakPolarHBondContact O-CB 3.46Å; L838-C843 PolarHBondContact O-N 3.34Å
839I92.5Very high81.7Confident83 Ų8359.9 Ų59.943%0.42638%0.384SS..Hα-helixtrans-65.6-45.6175.4-71.3164.6000110.7L823 A835 D836 H841 G842L823-I839 HydrophobicContact CD1-CD1 4.14Å; L823-I839 HydrophobicContact CD1-CG1 4.02Å; L823-I839 HydrophobicContact CD2-CD1 4.33Å; L823-I839 HydrophobicContact CD2-CG1 3.75Å; A835-I839 WeakPolarHBondContact O-CB 3.46Å; A835-I839 WeakPolarHBondContact O-CD1 3.39Å; A835-I839 WeakPolarHBondContact O-CG1 3.4Å; A835-I839 PolarHBondContact O-N 3.41Å; D836-I839 PolarHBondContact O-N 2.83Å; I839-H841 VanDerWaalsContact C-N 3.3Å; I839-H841 PolarHBondContact O-N 3Å; I839-G842 PolarHBondContact O-N 3.05Å
840Q90.1Very high78.6Confident126 Ų12666 Ų6659%0.58941%0.41SS*.Hα-helixtrans-59-39.1177.2-177.7-173.420.100112.2D836 I837 G842D836-Q840 VanDerWaalsContact O-CB 3.24Å; D836-Q840 WeakPolarHBondContact O-CB 3.34Å; D836-Q840 PolarHBondContact O-N 2.82Å; I837-Q840 PolarHBondContact O-N 3.24Å; Q840-G842 VanDerWaalsContact C-N 3.31Å
841H89Confident75.4Confident73 Ų7368.2 Ų68.234%0.33842%0.423SS..THydrogen-bonded Turntrans-85.54.4175.7-78.4-83.2000114.4I806 V812 I837 L838 I839I806-H841 HydrophobicContact CD1-CB 4.48Å; I806-H841 HydrophobicContact CG2-CB 4.2Å; I806-H841 WeakPolarHBondContact CG2-ND1 3.35Å; V812-H841 HydrophobicContact CG1-CB 4.12Å; V812-H841 HydrophobicContact CG2-CB 4.32Å; I837-H841 WeakPolarHBondContact O-CB 3.28Å; I837-H841 PolarHBondContact O-CD2 3.45Å; I837-H841 PolarHBondContact O-N 3.11Å; L838-H841 PolarHBondContact O-N 3.36Å; I839-H841 VanDerWaalsContact C-N 3.3Å; I839-H841 PolarHBondContact O-N 3Å
842G87.1Confident72.6Confident35 Ų3573.5 Ų73.536%0.36146%0.457SS..THydrogen-bonded Turntrans84.330.4169.100000115.6L838 I839 Q840L838-G842 PolarHBondContact O-N 3.33Å; L838-G842 VanDerWaalsContact O-N 3.13Å; I839-G842 PolarHBondContact O-N 3.05Å; Q840-G842 VanDerWaalsContact C-N 3.31Å
843C87Confident69.8Low10 Ų1073.2 Ų73.27%0.06846%0.464CS..PPolyproline II helixtrans-62.9129.1168.6-166.80000109.9V812 L823 L838 G845V812-C843 HydrophobicContact CG1-CB 3.66Å; V812-C843 PolarHBondContact O-SG 3.29Å; L823-C843 HydrophobicContact CB-CB 4.23Å; L823-C843 VanDerWaalsContact CB-SG 3.55Å; L838-C843 HydrophobicContact CB-CB 3.85Å; L838-C843 HydrophobicContact CD2-CB 4.45Å; L838-C843 WeakPolarHBondContact O-CB 3.46Å; L838-C843 PolarHBondContact O-N 3.34Å; C843-G845 PolarHBondContact O-N 2.82Å
844P82.6Confident67Low45 Ų4574.2 Ų74.229%0.29248%0.48SS..PPolyproline II helixtrans-68.3123.1178.624.3-29.5000110.8R813 T821R813-P844 HydrophobicContact CB-CG 4.46Å; T821-P844 HydrophobicContact CG2-CG 4.05Å; T821-P844 PolarHBondContact OG1-O 3.15Å
845G74.9Confident64.2Low43 Ų4381.9 Ų81.944%0.44352%0.52SS..PPolyproline II helixtrans-65.6152.2167.900000111.8C843 G847C843-G845 PolarHBondContact O-N 2.82Å; G845-G847 PolarHBondContact O-N 3Å; G845-G847 VanDerWaalsContact O-N 3.08Å
846E64.3Low61.4Low119 Ų11992.8 Ų92.856%0.55656%0.561SS**  trans-64.1109.7176.6-64.9-176.9148.500110.7A824A824-E846 HydrophobicContact CB-CG 4.44Å; A824-E846 WeakPolarHBondContact CB-OE1 3.36Å
847G45.6Very low58.5Low68 Ų6896.9 Ų96.970%0.70158%0.577SS**  trans-77.3131.1168.700000110.1G845 G849G845-G847 PolarHBondContact O-N 3Å; G845-G847 VanDerWaalsContact O-N 3.08Å; G847-G849 PolarHBondContact O-N 3.13Å
848C27.5Very low55.9Low147 Ų147103 Ų10399%0.99362%0.616SS**SBendtrans-58.2102.1175.3-176.50000110.2
849G29.7Very low53.2Low66 Ų66107 Ų10768%0.6865%0.65SS**  trans-151.44.9-163.600000116.9G847G847-G849 PolarHBondContact O-N 3.13Å
850L31.9Very low50.5Low173 Ų173111.3 Ų111.391%0.90667%0.674SS**  trans-133.9109.9167.5-74.1177.1000109.4
851A28.4Very low47.9Very low93 Ų93108.5 Ų108.577%0.76968%0.678SS**PPolyproline II helixtrans-79.2128.4168.600000109T853A851-T853 PolarHBondContact O-N 2.85Å
852P36.6Very low45.4Very low127 Ų127111.3 Ų111.383%0.82570%0.701SS**PPolyproline II helixtrans-67.7124.7174.227.9-33000109.7
853T35.5Very low43Very low121 Ų121117.2 Ų117.274%0.74272%0.724SS**PPolyproline II helixtrans-70.6137174.340.60000110.5A851 N855A851-T853 PolarHBondContact O-N 2.85Å; T853-N855 PolarHBondContact O-N 3.22Å
854P34.3Very low40.9Very low125 Ų125122 Ų12281%0.81276%0.755SS**  trans-83.8101-163.931.3-35.9000113.4R856P854-R856 PolarHBondContact O-N 3.14Å
855N37.4Very low38.7Very low160 Ų160125.8 Ų125.886%0.85678%0.782SS**  trans-92.383172-87.7-18.7000112.9T853T853-N855 PolarHBondContact O-N 3.22Å
856R35.6Very low36.7Very low233 Ų233127.7 Ų127.788%0.87979%0.794SS**  trans31.2110.4130.9-154.2176-166170.22.6118P854P854-R856 PolarHBondContact O-N 3.14Å
857E31.2Very low35.1Very low185 Ų185130.8 Ų130.886%0.86481%0.808SS**  trans-62.5150168.2-59.8-177.9135.200113.6
858P38.4Very low34.7Very low130 Ų130134.7 Ų134.784%0.84481%0.813SS**  trans-111.4147.9137-323.8000111.2
859A38.6Very low34.9Very low85 Ų85136.4 Ų136.470%0.70281%0.806SS**  trans-99163.2-16800000115.8
860N35.9Very low35.2Very low174 Ų174144.8 Ų144.893%0.9382%0.817SS**  trans67.7146.3168.3-70.7-23.6000118.3
861G35.5Very low35.2Very low66 Ų66141.6 Ų141.668%0.6881%0.809SS**  trans178.9-31.7173.100000120
862T35.9Very low35.8Very low133 Ų133142.7 Ų142.782%0.81681%0.808SS**  trans45.8114.6169.842.80000121.1
863N36.5Very low35.5Very low159 Ų159141.6 Ų141.685%0.8580%0.803SS**  trans80158136.1-85.98.2000121.8
864P42Very low35.7Very low111 Ų111143.5 Ų143.572%0.72181%0.808SS**  trans-136.2169.8-132.444.7-29.2000117.4
865S36.6Very low35.8Very low123 Ų123146 Ų14686%0.8681%0.814SS**  trans-174.8160.4152.6-77.80000107.1
866A33.8Very low35.7Very low83 Ų83145.3 Ų145.369%0.68681%0.811SS**  cis173.5150.3-23.100000105.2
867E31.2Very low35.7Very low184 Ų184140.6 Ų140.686%0.8681%0.808SS**  trans72.3160166.4-53.5-147.8127.400122.2
868L35.9Very low36Very low151 Ų151138.2 Ų138.279%0.79181%0.805SS**  trans76.194.3158.8-72.4158.8000121.4
869H31.2Very low35.8Very low182 Ų182138.6 Ų138.684%0.84380%0.802SS**  trans12.9117.7130.8-81.7-92.5000118.9
870R35.9Very low35.6Very low243 Ų243142 Ų14292%0.91781%0.809SS**  -170.2145.7121.1-109.8169.7-175.7178.61.5113.3
871S32.7Very low35.6Very low105 Ų105139.9 Ų139.973%0.73480%0.801SS**  trans-83.8143.3163.2-41.40000110.7
872P42Very low35.6Very low116 Ų116145.1 Ų145.175%0.75381%0.809SS**  trans-101.5141.3135-0.821.2000108
873S29.7Very low35.6Very low104 Ų104146.1 Ų146.173%0.72781%0.809SS**  cis56.378.916.7-54.30000114.1
874L38.3Very low35.5Very low161 Ų161145 Ų14584%0.84381%0.805SS**  trans180128138.2-97.3160.9000110.6
875L36.8Very low34.9Very low177 Ų177148.1 Ų148.193%0.92781%0.813SS**  trans61.70165.8-55.2172.7000117.7

Retrieved 875 of 875 residues in 342.2 ms (Link to these results)

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