A0A3Q0KUC0_SCHMA Loading...

Origin recognition complex subunit 1

Component of the origin recognition complex (ORC) that binds origins of replication. DNA-binding is ATP-dependent, however specific DNA sequences that define origins of replication have not been identified so far. ORC is required to assemble the pre-replication complex necessary to initiate DNA replication.

AlphaFold DB , UniProt , Accession A0A3Q0KUC0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 569 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
1M30.2Very low38.9Very low247 Ų247147.9 Ų147.9100%1.21775%0.75SS**  0101.30-72.1178.9-18000109.1
2A33.8Very low39.5Very low94 Ų94142.5 Ų142.578%0.77773%0.734SS**  trans162.887.3161.400000109.8
3F35.5Very low40.5Very low198 Ų198135.1 Ų135.187%0.86869%0.693SS**  trans-136.725.2178.9-127-85.2000114.5
4T36.8Very low41.9Very low134 Ų134135.4 Ų135.482%0.82269%0.69SS**SBendtrans-123.19.4-168.1410000116.8
5R36.7Very low43Very low233 Ų233131.9 Ų131.988%0.87968%0.677SS**SBendtrans-112.5-0.4-179.3-87.3-173.6177.5-174.30.3117.7
6R35.9Very low43.6Very low216 Ų216124.2 Ų124.282%0.81564%0.64SS**SBendtrans-86.2-12.6-172.7-76.7-176176.2175.5-0.8116.2
7T37.7Very low44.6Very low119 Ų119117.7 Ų117.773%0.7361%0.606SS**Hα-helixtrans-80.1-30.2-173.149.50000114A11T7-A11 PolarHBondContact O-N 3.5Å
8S43.1Very low45.4Very low79 Ų79114.4 Ų114.455%0.55260%0.599SS**Hα-helixtrans-67.6-39.6-178.760.90000112.9R10 A11 C12S8-R10 PolarHBondContact O-N 3.29Å; S8-A11 PolarHBondContact O-N 3.5Å; S8-C12 PolarHBondContact O-N 3.11Å; S8-C12 PolarHBondContact O-SG 3.29Å; S8-C12 VanDerWaalsContact O-SG 3.34Å
9S45.5Very low45.8Very low59 Ų59113.9 Ų113.941%0.41359%0.589SS.*Hα-helixtrans-66.4-33.6-178.6-179.90000113.3K13S9-K13 WeakPolarHBondContact O-CB 3.06Å; S9-K13 PolarHBondContact O-N 3.09Å; S9-K13 VanDerWaalsContact O-N 3.1Å
10R46.2Very low46.2Very low195 Ų195108.8 Ų108.874%0.73656%0.562SS**Hα-helixtrans-71.5-43.3177-98.3-173.5171.3177.4-2.8111.5S8 K13 E14S8-R10 PolarHBondContact O-N 3.29Å; R10-K13 WeakPolarHBondContact O-CB 3.15Å; R10-K13 PolarHBondContact O-N 3.26Å; R10-E14 PolarHBondContact O-N 2.63Å
11A46.8Very low46.7Very low53 Ų53106.6 Ų106.644%0.43855%0.553SS.*Hα-helixtrans-63.2-42.3177.100000111.8T7 S8 K13 E14 V15T7-A11 PolarHBondContact O-N 3.5Å; S8-A11 PolarHBondContact O-N 3.5Å; A11-K13 VanDerWaalsContact C-N 3.34Å; A11-K13 PolarHBondContact O-N 3.17Å; A11-E14 PolarHBondContact O-N 3.34Å; A11-V15 WeakPolarHBondContact O-CG2 3.25Å; A11-V15 PolarHBondContact O-N 3.17Å
12C46Very low47.7Very low83 Ų8397.6 Ų97.656%0.56152%0.518SS*.Hα-helixtrans-62.3-40.3173.7-690000112.2S8 A16S8-C12 PolarHBondContact O-N 3.11Å; S8-C12 PolarHBondContact O-SG 3.29Å; S8-C12 VanDerWaalsContact O-SG 3.34Å; C12-A16 WeakPolarHBondContact O-CB 3.49Å; C12-A16 PolarHBondContact O-N 2.86Å
13K52.7Low48.4Very low46 Ų4696.9 Ų96.920%0.251%0.507CS..Hα-helixtrans-60.8-52.1174.6-168.1178.2-173.3178.30110.2S9 R10 A11 V15 A16 M17 A474 E479S9-K13 WeakPolarHBondContact O-CB 3.06Å; S9-K13 PolarHBondContact O-N 3.09Å; S9-K13 VanDerWaalsContact O-N 3.1Å; R10-K13 WeakPolarHBondContact O-CB 3.15Å; R10-K13 PolarHBondContact O-N 3.26Å; A11-K13 VanDerWaalsContact C-N 3.34Å; A11-K13 PolarHBondContact O-N 3.17Å; K13-V15 VanDerWaalsContact C-N 3.34Å; K13-V15 PolarHBondContact O-N 3.18Å; K13-A16 PolarHBondContact O-N 2.99Å; K13-M17 HydrophobicContact CD-CE 4.38Å; K13-M17 VanDerWaalsContact CE-CE 3.41Å; K13-M17 HydrophobicContact CG-CE 4.01Å; K13-M17 HydrophobicContact CG-CG 3.91Å; K13-M17 VanDerWaalsContact O-CB 3.24Å; K13-M17 WeakPolarHBondContact O-CB 3.2Å; K13-M17 WeakPolarHBondContact O-CG 3.43Å; K13-M17 PolarHBondContact O-N 3.44Å; K13-A474 HydrophobicContact CB-CB 4.21Å; K13-A474 WeakPolarHBondContact CD-O 3.32Å; K13-A474 HydrophobicContact CG-CB 4.24Å; K13-E479 IonicContact NZ-OE1 2.65Å; K13-E479 PolarHBondContact NZ-OE1 3.04Å; K13-E479 IonicContact NZ-OE2 3.08Å; K13-E479 PolarHBondContact NZ-OE2 3.02Å
14E59.6Low48.8Very low140 Ų14091 Ų9165%0.65448%0.484SS*.Hα-helixtrans-60-40-178.9-74.4179.2-178.500113.1R10 A11 A18R10-E14 PolarHBondContact O-N 2.63Å; A11-E14 PolarHBondContact O-N 3.34Å; E14-A18 WeakPolarHBondContact O-CB 3.18Å; E14-A18 PolarHBondContact O-N 3.21Å
15V57.9Low49Very low82 Ų8289.8 Ų89.850%0.49747%0.472SS..Hα-helixtrans-69.6-44.3178.4175.20000111.7A11 K13 A18 R19A11-V15 WeakPolarHBondContact O-CG2 3.25Å; A11-V15 PolarHBondContact O-N 3.17Å; K13-V15 VanDerWaalsContact C-N 3.34Å; K13-V15 PolarHBondContact O-N 3.18Å; V15-A18 PolarHBondContact O-N 2.89Å; V15-R19 WeakPolarHBondContact O-CB 3.26Å; V15-R19 WeakPolarHBondContact O-CG 3.45Å; V15-R19 PolarHBondContact O-N 2.96Å
16A53.6Low48.8Very low9 Ų982.5 Ų82.57%0.07446%0.457CS..Hα-helixtrans-64.6-45.3176.500000111C12 K13 A18 R19 I20C12-A16 WeakPolarHBondContact O-CB 3.49Å; C12-A16 PolarHBondContact O-N 2.86Å; K13-A16 PolarHBondContact O-N 2.99Å; A16-A18 PolarHBondContact O-N 3.08Å; A16-R19 PolarHBondContact O-N 3.42Å; A16-I20 WeakPolarHBondContact O-CD1 3.36Å; A16-I20 VanDerWaalsContact O-CG1 3.24Å; A16-I20 WeakPolarHBondContact O-CG1 3.35Å; A16-I20 PolarHBondContact O-N 3.18Å
17M60.8Low48.9Very low14 Ų1477.4 Ų77.47%0.06945%0.452CS..Hα-helixtrans-63.6-40.8177.5-65.8-43.1-16400111.6K13 I20 V21 A471 H534K13-M17 HydrophobicContact CD-CE 4.38Å; K13-M17 VanDerWaalsContact CE-CE 3.41Å; K13-M17 HydrophobicContact CG-CE 4.01Å; K13-M17 HydrophobicContact CG-CG 3.91Å; K13-M17 VanDerWaalsContact O-CB 3.24Å; K13-M17 WeakPolarHBondContact O-CB 3.2Å; K13-M17 WeakPolarHBondContact O-CG 3.43Å; K13-M17 PolarHBondContact O-N 3.44Å; M17-I20 PolarHBondContact O-N 2.84Å; M17-I20 HydrophobicContact SD-CD1 4.25Å; M17-V21 VanDerWaalsContact O-CG2 3.32Å; M17-V21 WeakPolarHBondContact O-CG2 3.25Å; M17-V21 PolarHBondContact O-N 3.3Å; M17-A471 HydrophobicContact SD-CB 4.41Å; M17-H534 HydrophobicContact CE-CB 4.49Å; M17-H534 VanDerWaalsContact CG-CD2 3.49Å; M17-H534 WeakPolarHBondContact CG-CD2 3.49Å; M17-H534 VanDerWaalsContact CG-NE2 3.27Å; M17-H534 WeakPolarHBondContact CG-NE2 3.28Å; M17-H534 HydrophobicContact SD-CB 4.19Å; M17-H534 PolarHBondContact SD-CD2 2.91Å; M17-H534 PolarHBondContact SD-NE2 3.35Å
18A58.8Low48.7Very low59 Ų5981.4 Ų81.449%0.48846%0.462SS..Hα-helixtrans-64.8-39.3175.100000112.3E14 V15 A16 A22E14-A18 WeakPolarHBondContact O-CB 3.18Å; E14-A18 PolarHBondContact O-N 3.21Å; V15-A18 PolarHBondContact O-N 2.89Å; A16-A18 PolarHBondContact O-N 3.08Å; A18-A22 VanDerWaalsContact O-CB 3.27Å; A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 3.46Å
19R52.4Low48Very low104 Ų10486 Ų8639%0.39248%0.475SS..Hα-helixtrans-64.5-40.1175.1-78178.2170.7-169-7.6111.9V15 A16 A22 C23 E462 L467V15-R19 WeakPolarHBondContact O-CB 3.26Å; V15-R19 WeakPolarHBondContact O-CG 3.45Å; V15-R19 PolarHBondContact O-N 2.96Å; A16-R19 PolarHBondContact O-N 3.42Å; R19-A22 PolarHBondContact O-N 3.07Å; R19-C23 WeakPolarHBondContact O-CB 3.42Å; R19-C23 PolarHBondContact O-N 3.21Å; R19-C23 PolarHBondContact O-SG 2.79Å; R19-E462 IonicContact CZ-OE1 3.66Å; R19-E462 IonicContact NH1-OE1 3.97Å; R19-E462 PolarHBondContact NH1-OE1 3.47Å; R19-E462 IonicContact NH2-OE1 2.73Å; R19-E462 PolarHBondContact NH2-OE1 2.89Å; R19-L467 HydrophobicContact CB-CD1 4.39Å; R19-L467 HydrophobicContact CB-CD2 4.34Å
20I54.9Low47.3Very low12 Ų1290.5 Ų90.56%0.06249%0.494CS..Hα-helixtrans-64.7-49176.8-68.7160000110.7A16 M17 A22 C23 L24 L467 A471A16-I20 WeakPolarHBondContact O-CD1 3.36Å; A16-I20 VanDerWaalsContact O-CG1 3.24Å; A16-I20 WeakPolarHBondContact O-CG1 3.35Å; A16-I20 PolarHBondContact O-N 3.18Å; M17-I20 PolarHBondContact O-N 2.84Å; M17-I20 HydrophobicContact SD-CD1 4.25Å; I20-A22 VanDerWaalsContact C-N 3.3Å; I20-A22 PolarHBondContact O-N 3.23Å; I20-C23 PolarHBondContact O-N 3.19Å; I20-L24 HydrophobicContact CG2-CD1 3.57Å; I20-L24 VanDerWaalsContact O-CB 3.31Å; I20-L24 WeakPolarHBondContact O-CB 3.25Å; I20-L24 WeakPolarHBondContact O-CD1 3.31Å; I20-L24 VanDerWaalsContact O-CG 3.26Å; I20-L24 WeakPolarHBondContact O-CG 3.48Å; I20-L24 PolarHBondContact O-N 2.76Å; I20-L467 HydrophobicContact CD1-CB 4.38Å; I20-L467 HydrophobicContact CG1-CB 3.66Å; I20-L467 HydrophobicContact CG1-CD1 4.34Å; I20-A471 HydrophobicContact CD1-CB 3.37Å
21V56.1Low46.5Very low62 Ų6289.8 Ų89.838%0.37650%0.499SS..Hα-helixtrans-61.3-39.5177.1174.80000110.7M17 L24 N25M17-V21 VanDerWaalsContact O-CG2 3.32Å; M17-V21 WeakPolarHBondContact O-CG2 3.25Å; M17-V21 PolarHBondContact O-N 3.3Å; V21-L24 PolarHBondContact O-N 3.41Å; V21-N25 VanDerWaalsContact CG1-ND2 3.33Å; V21-N25 WeakPolarHBondContact CG1-ND2 3.44Å; V21-N25 WeakPolarHBondContact O-CB 3.25Å; V21-N25 PolarHBondContact O-N 2.95Å; V21-N25 PolarHBondContact O-ND2 3.45Å
22A51.9Low45.9Very low58 Ų5894.7 Ų94.748%0.47952%0.516SS..Hα-helixtrans-69-41.3176.600000113.3A18 R19 I20 L24 N25 S26A18-A22 VanDerWaalsContact O-CB 3.27Å; A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 3.46Å; R19-A22 PolarHBondContact O-N 3.07Å; I20-A22 VanDerWaalsContact C-N 3.3Å; I20-A22 PolarHBondContact O-N 3.23Å; A22-L24 VanDerWaalsContact C-N 3.27Å; A22-L24 PolarHBondContact O-N 3.41Å; A22-N25 CarbonylContact O-C 3.59Å; A22-N25 PolarHBondContact O-N 3.46Å; A22-S26 VanDerWaalsContact O-CB 3.27Å; A22-S26 WeakPolarHBondContact O-CB 3.27Å; A22-S26 PolarHBondContact O-N 3.02Å; A22-S26 PolarHBondContact O-OG 2.88Å
23C46.7Very low45.2Very low79 Ų7998 Ų9853%0.53453%0.526SS..Hα-helixtrans-68.4-29177.3-70.30000112.3R19 I20 L467R19-C23 WeakPolarHBondContact O-CB 3.42Å; R19-C23 PolarHBondContact O-N 3.21Å; R19-C23 PolarHBondContact O-SG 2.79Å; I20-C23 PolarHBondContact O-N 3.19Å; C23-L467 HydrophobicContact CB-CD1 4.08Å; C23-L467 VanDerWaalsContact SG-CD1 3.52Å
24L43.8Very low44.2Very low74 Ų74103.7 Ų103.739%0.38756%0.558SS.*Hα-helixtrans-88.3-15.8178-69.9167.3000113.6I20 V21 A22 K535I20-L24 HydrophobicContact CG2-CD1 3.57Å; I20-L24 VanDerWaalsContact O-CB 3.31Å; I20-L24 WeakPolarHBondContact O-CB 3.25Å; I20-L24 WeakPolarHBondContact O-CD1 3.31Å; I20-L24 VanDerWaalsContact O-CG 3.26Å; I20-L24 WeakPolarHBondContact O-CG 3.48Å; I20-L24 PolarHBondContact O-N 2.76Å; V21-L24 PolarHBondContact O-N 3.41Å; A22-L24 VanDerWaalsContact C-N 3.27Å; A22-L24 PolarHBondContact O-N 3.41Å; L24-K535 HydrophobicContact CB-CD 4.41Å; L24-K535 HydrophobicContact CD1-CB 3.85Å; L24-K535 HydrophobicContact CD1-CD 3.52Å; L24-K535 HydrophobicContact CD1-CG 3.7Å; L24-K535 HydrophobicContact CD2-CD 3.96Å; L24-K535 HydrophobicContact CG-CD 4.17Å
25N41.7Very low42.9Very low109 Ų109106.2 Ų106.258%0.58357%0.567SS**SBendtrans-116.316.2-179.2-64-19000113.6V21 A22V21-N25 VanDerWaalsContact CG1-ND2 3.33Å; V21-N25 WeakPolarHBondContact CG1-ND2 3.44Å; V21-N25 WeakPolarHBondContact O-CB 3.25Å; V21-N25 PolarHBondContact O-N 2.95Å; V21-N25 PolarHBondContact O-ND2 3.45Å; A22-N25 CarbonylContact O-C 3.59Å; A22-N25 PolarHBondContact O-N 3.46Å
26S33.5Very low41.6Very low81 Ų81109.8 Ų109.857%0.56658%0.583SS**  trans-109.6135.4173.749.70000111.5A22A22-S26 VanDerWaalsContact O-CB 3.27Å; A22-S26 WeakPolarHBondContact O-CB 3.27Å; A22-S26 PolarHBondContact O-N 3.02Å; A22-S26 PolarHBondContact O-OG 2.88Å
27P36.2Very low40.7Very low108 Ų108115.8 Ų115.870%0.70162%0.619SS**SBendcis-130.3128.5-43.232.7-16.8000111.4
28Q34.8Very low39Very low203 Ų203118.3 Ų118.395%0.94965%0.649SS**SBendtrans-122.9-3.3163.4-78.3-172.4-21.300114
29E29Very low37.5Very low175 Ų175121.9 Ų121.982%0.81867%0.665SS**SBendtrans-138.417.3-170.6-70.7-170.7153.600117.3
30L30.3Very low36.4Very low155 Ų155125.4 Ų125.481%0.81269%0.69SS**  trans-119.743.3-177.9-70.5177.8000115.7
31E29.8Very low34.9Very low180 Ų180130 Ų13084%0.84172%0.723SS**  trans-111.43.7169-98.4-167.1165.300115.4
32I33.4Very low33.8Very low156 Ų156132.4 Ų132.480%0.874%0.743SS**SBendtrans-89.4-6.7-171.7-64.9171.9000114.1
33I31.4Very low32.5Very low151 Ų151139.2 Ų139.277%0.77476%0.762SS**SBendtrans-104.9-6.9-170-63.1175.1000114.8
34L32.4Very low31.6Very low166 Ų166141.5 Ų141.587%0.86978%0.779SS**SBendtrans-100.97.6-177.9-84.7163.1000116.2
35K31.9Very low30.9Very low193 Ų193141.8 Ų141.884%0.83980%0.799SS**SBendtrans-97.78.3179.4-78.6-177.3176.5175.90116
36N31Very low30.1Very low157 Ų157141.8 Ų141.884%0.8481%0.808SS**  trans-116.234.5-173.4-90.1-0.6000116.3
37T32.8Very low29.8Very low135 Ų135143.1 Ų143.183%0.82882%0.816SS**  trans-124.889.3162.750.40000109.6
38G27.1Very low29.5Very low67 Ų67146.1 Ų146.169%0.69183%0.825SS**  trans-75.7150.2174.100000113.2
39V26.1Very low29.1Very low135 Ų135148.2 Ų148.282%0.81883%0.825SS**  trans57.6106.5135.5-169.40000117.1
40L28.6Very low29.2Very low178 Ų178145.6 Ų145.693%0.93282%0.823SS**  trans-158.4109.4135.6-101.8140.2000110
41S24.5Very low29.1Very low108 Ų108150.2 Ų150.276%0.75583%0.83SS**  trans-85.8141.8168.567.40000110.8
42S31.8Very low28.9Very low113 Ų113153.2 Ų153.279%0.7983%0.833SS**  trans-168.9111.8139.546.30000113.3
43K26.6Very low28.8Very low200 Ų200150.5 Ų150.587%0.8783%0.834SS**  trans23.5140.8136.9-65.7-179.7176.3178.20122.3
44S26.9Very low28.5Very low127 Ų127149.2 Ų149.289%0.88883%0.834SS**  trans96131.1135.573.50000118.9
45G29.1Very low28.3Very low80 Ų80147.3 Ų147.383%0.82583%0.833SS**  trans148.476.6169.600000114.4
46S25Very low28Very low110 Ų110145.1 Ų145.177%0.76984%0.835SS**  trans-49.5143.9166.148.60000114
47C27.1Very low28Very low108 Ų108140.7 Ų140.773%0.7383%0.827SS**  173.6127.5121.4-97.80000114.4
48L29.7Very low27.6Very low171 Ų171141.4 Ų141.490%0.89583%0.831SS**  trans87.1119.2140.6-59.5165.2000120.5
49R27.1Very low27.8Very low247 Ų247146 Ų14693%0.93284%0.839SS**PPolyproline II helixtrans-79.8166.7178.8-98.6-175.9-177.7-169.21.4113.1
50P29.6Very low27.9Very low121 Ų121149.9 Ų149.979%0.78685%0.845SS**PPolyproline II helixtrans-97.7160-155.338-34.2000114.6
51R30Very low28Very low252 Ų252145.3 Ų145.395%0.95183%0.828SS**PPolyproline II helixtrans-96.5127.3166.5-88.4-174.9168.1-177.6-3.2111.2
52R25.6Very low28.3Very low243 Ų243143.8 Ų143.892%0.91782%0.816SS**PPolyproline II helixtrans-54138.7167.4-84.6172.4163.9166.9-6.2111.7
53A30.7Very low28.8Very low99 Ų99142.9 Ų142.982%0.81881%0.805SS**  trans-129.5114.8151.100000108.2
54T25.5Very low29.2Very low124 Ų124141.4 Ų141.476%0.76180%0.799SS**  trans-78.3120.3172.4390000109.4
55C28Very low29.6Very low126 Ų126142.7 Ų142.785%0.85179%0.788SS**  trans-124.1104.4160.4-750000108.3G57C55-G57 PolarHBondContact O-N 3.11Å
56T25.8Very low30.1Very low146 Ų146144.1 Ų144.190%0.89678%0.777SS**  trans-71.9109.9169.244.80000109.1
57G29.4Very low30.5Very low64 Ų64142.2 Ų142.266%0.6676%0.763SS**  trans-13399.7170.200000109C55 L59C55-G57 PolarHBondContact O-N 3.11Å; G57-L59 PolarHBondContact O-N 2.81Å; G57-L59 VanDerWaalsContact O-N 3.08Å
58T26.2Very low31Very low151 Ų151143.8 Ų143.893%0.92676%0.76SS**  trans-67.396.3176.926.40000110.4
59L29.6Very low31.3Very low164 Ų164141.5 Ų141.586%0.85975%0.748SS**  trans-117.1118.5167.8-78.1164.1000109.2G57 S61G57-L59 PolarHBondContact O-N 2.81Å; G57-L59 VanDerWaalsContact O-N 3.08Å; L59-S61 PolarHBondContact O-N 3.28Å
60K29.2Very low31.6Very low215 Ų215134.5 Ų134.594%0.93574%0.736SS**  trans-61.2110.3-176.7-67.1173.6177177.70109.9
61S30.7Very low31.8Very low82 Ų82135.9 Ų135.957%0.57374%0.736SS**  trans-80138.1171.164.20000110.8L59 V63L59-S61 PolarHBondContact O-N 3.28Å; S61-V63 PolarHBondContact O-N 2.97Å; S61-V63 VanDerWaalsContact O-N 3.17Å
62P31.1Very low31.7Very low77 Ų77128.4 Ų128.450%0.572%0.722SS.*THydrogen-bonded Turntrans-80.719.9178.932.2-32.9000113.7K64 K65 W196P62-K64 PolarHBondContact O-N 3.04Å; P62-K65 PolarHBondContact O-N 3.29Å; P62-K65 VanDerWaalsContact O-N 3.11Å; P62-W196 HydrophobicContact CG-CH2 4.09Å
63V41.2Very low31.9Very low94 Ų94122.1 Ų122.157%0.5772%0.715SS**Hα-helixtrans-65.1-22.1174.6-179.70000111.5S61 K65S61-V63 PolarHBondContact O-N 2.97Å; S61-V63 VanDerWaalsContact O-N 3.17Å; V63-K65 VanDerWaalsContact C-N 3.35Å; V63-K65 PolarHBondContact O-N 3.03Å
64K35.7Very low31.9Very low168 Ų168123.7 Ų123.773%0.7372%0.717SS**Hα-helixtrans-75.9-15.1173.6-73.3-171.7174.6-173.20115P62 S67P62-K64 PolarHBondContact O-N 3.04Å; K64-S67 PolarHBondContact O-OG 2.69Å
65K36.4Very low32.2Very low154 Ų154126.9 Ų126.967%0.6772%0.723SS**Hα-helixtrans-82.3-20.9-179.4-132.5176.2-175.2-176.30113P62 V63P62-K65 PolarHBondContact O-N 3.29Å; P62-K65 VanDerWaalsContact O-N 3.11Å; V63-K65 VanDerWaalsContact C-N 3.35Å; V63-K65 PolarHBondContact O-N 3.03Å
66L38.4Very low32.4Very low111 Ų111132.2 Ų132.258%0.58173%0.725SS**Hα-helixtrans-82.7-25.5174.4-73.7165.2000112.5E68L66-E68 VanDerWaalsContact C-N 3.33Å; L66-E68 PolarHBondContact O-N 3.31Å
67S34Very low32.4Very low69 Ų69131.6 Ų131.648%0.48372%0.722SS.*Hα-helixtrans-73.1-20.4172.949.30000114.1K64K64-S67 PolarHBondContact O-OG 2.69Å
68E36.2Very low32.4Very low141 Ų141134.7 Ų134.766%0.65973%0.73SS**SBendtrans-84.1-19.3178.7-77.6177.1167.600113.5L66L66-E68 VanDerWaalsContact C-N 3.33Å; L66-E68 PolarHBondContact O-N 3.31Å
69L38Very low32.4Very low124 Ų124137.3 Ų137.365%0.64973%0.729SS**THydrogen-bonded Turntrans-82.5-12.4-178.9-75.6161.3000113.8L71L69-L71 VanDerWaalsContact C-N 3.35Å
70C33.4Very low32.4Very low100 Ų100134.6 Ų134.668%0.67672%0.723SS**THydrogen-bonded Turntrans-84.6-1.3175.4-74.80000114.4
71L32.9Very low32.4Very low150 Ų150132.3 Ų132.379%0.78572%0.721SS**SBendtrans-109.754.1176.9-79.9127000111.8L69L69-L71 VanDerWaalsContact C-N 3.35Å
72S28.7Very low32.4Very low95 Ų95133.1 Ų133.166%0.66473%0.726SS**  trans-162.582161.645.30000111.8
73S28.6Very low32.2Very low110 Ų110137.1 Ų137.177%0.76974%0.743SS**  trans-79.2134.8158.934.70000109.2Q75S73-Q75 PolarHBondContact O-N 3.03Å
74P31.6Very low31.8Very low132 Ų132137.1 Ų137.186%0.85775%0.753SS**  trans-79.7113.8-171.630-31.4000110.8
75Q31.7Very low31.4Very low191 Ų191134.6 Ų134.689%0.89376%0.756SS**  trans-87.8119.4163.3-75.1-158.6-2.700110.9S73S73-Q75 PolarHBondContact O-N 3.03Å
76R31.4Very low31Very low238 Ų238132.7 Ų132.790%0.89876%0.761SS**  trans20.7118.2144.8-66.9177.3175.5-178.5-1.9118.3
77T26.5Very low30.7Very low133 Ų133134 Ų13482%0.81677%0.768SS**  trans-23.9152.1155.660.80000116.6
78P28.9Very low30.7Very low129 Ų129137 Ų13784%0.83878%0.777SS**  -150.7176.182.536-14000117.6
79K26.1Very low30.6Very low207 Ų207139.6 Ų139.690%0.979%0.786SS**  trans-67.6145.9-172.5-57.9162.6175.2174.20115.9
80S30.6Very low30.1Very low106 Ų106144.9 Ų144.974%0.74180%0.798SS**  trans-175.2113.2135.868.40000109.8
81L29Very low30.1Very low168 Ų168152 Ų15288%0.8881%0.81SS**  70.813093.7-83.7153.2000116.4
82S30.5Very low29.8Very low98 Ų98147.8 Ų147.869%0.68580%0.803SS**  trans101.5103.7151.474.80000120.3
83N26.6Very low30Very low162 Ų162151.3 Ų151.387%0.86681%0.814SS**  61.7114120.3-60.1-10.1000121.7
84A32.2Very low30Very low93 Ų93152 Ų15277%0.76982%0.815SS**  177.792.3125.100000108.7
85S27.5Very low30.2Very low115 Ų115154.2 Ų154.280%0.80482%0.818SS**  57.5106.99069.30000116.6
86C27.4Very low30Very low114 Ų114152 Ų15277%0.7781%0.812SS**  trans-167.3100136.4-130.50000109.3
87L32.7Very low30.2Very low138 Ų138147.4 Ų147.472%0.72381%0.811SS**  83.5106.8102.7-9775.8000113.4
88I35Very low30.3Very low133 Ų133148.8 Ų148.868%0.68281%0.813SS**  123.2136.797.4-83.6171.4000106.4
89K33.9Very low30.6Very low195 Ų195147.8 Ų147.885%0.84881%0.81SS**  cis-155.11418.6-119.9165.5-170.1174.80109
90R27Very low30.9Very low235 Ų235146.6 Ų146.689%0.88781%0.807SS**  trans-54149.1164.4-68.6167174.6-178.9-2115.1
91R32.9Very low30.7Very low250 Ų250147.1 Ų147.194%0.94381%0.81SS**  -179.6131.1107.2-101.5177.4172.1166.5-3.4111.2
92G27.1Very low31.1Very low61 Ų61144.4 Ų144.463%0.62980%0.802SS**  trans-93.2168.9163.900000110.6
93D32.6Very low31.4Very low169 Ų169147.2 Ų147.290%0.90481%0.806SS**  trans-171.1140.3136.6-86.5-27.8000109.3
94T28.5Very low31.9Very low126 Ų126147 Ų14777%0.77381%0.805SS**  trans-69.3151.5176.722.30000112.4
95L36.1Very low32.1Very low177 Ų177147 Ų14793%0.92780%0.8SS**  trans174.1141.1134.9-91.7153.2000112.9
96N28Very low32.6Very low145 Ų145150.2 Ų150.278%0.77580%0.802SS**  trans-50.2155.2171.5-81.8-27.3000114.4
97T34.3Very low32.9Very low142 Ų142152.1 Ų152.187%0.87180%0.804SS**  169.6147.6107.9430000113.1
98N28.4Very low33Very low161 Ų161149.7 Ų149.786%0.86180%0.799SS**  trans-61.4151179.7-67.4-35.3000116.6
99S35.6Very low33.2Very low109 Ų109153.9 Ų153.976%0.76281%0.808SS**  trans170.8100.6140.344.30000110.2
100Q32.7Very low33.2Very low182 Ų182152.3 Ų152.385%0.8581%0.809SS**  49.4103.298.1-80.4174.4-15.900114.9
101C27.4Very low33.5Very low117 Ų117150.3 Ų150.379%0.79181%0.809SS**  92.7165.6101.5-76.70000112.8
102P37.3Very low33.5Very low111 Ų111143.5 Ų143.572%0.72180%0.8SS**  cis-144.2173.7-18.426.5-1.6000116.7
103M35.2Very low33.6Very low157 Ų157146.3 Ų146.377%0.77381%0.81SS**  trans62.5128.5138.5-63.3-83.9-87.700123.4
104D37.7Very low33.5Very low156 Ų156143.1 Ų143.183%0.83480%0.801SS**  trans178.9102.6133.6-82.1-25.2000107.7
105S36.2Very low33.6Very low95 Ų95142.5 Ų142.566%0.66480%0.802SS**  80.3132.874.2-54.80000115.4
106E38.6Very low33.2Very low181 Ų181139.8 Ų139.885%0.84679%0.793SS**  trans110.289.2165.1-56-159.6172.900119
107D33.6Very low33.2Very low154 Ų154138 Ų13882%0.82479%0.792SS**  41.6132.4111.6-57.1-12.5000118
108S34.7Very low33Very low88 Ų88139.4 Ų139.462%0.61579%0.788SS**  cis173.1162.839.133.80000110.6
109Y39.6Very low33.1Very low220 Ų220136.3 Ų136.386%0.86378%0.779SS**  trans100.9103.8159-55.6-68.9000119.9
110D33.3Very low32.7Very low163 Ų163137 Ų13787%0.87279%0.785SS**  trans-59.2143.4163.5-64-62.8000113.8
111E33.7Very low32.5Very low192 Ų192136.4 Ų136.490%0.89778%0.779SS**  trans-149.3133.8134.1-130.4-173.3-170.300111.3
112S32.3Very low32.5Very low108 Ų108134 Ų13476%0.75576%0.764SS**  trans-60.1125.7-167.839.90000115.9S114S112-S114 PolarHBondContact O-N 3.5Å
113S30.7Very low32.1Very low119 Ų119135.4 Ų135.483%0.83277%0.771SS**  trans-85.397.5157.556.90000110S115S113-S115 PolarHBondContact O-N 3.4Å
114S29.3Very low32Very low103 Ų103136 Ų13672%0.7277%0.766SS**  trans-84.798.816459.70000109.5S112 T116S112-S114 PolarHBondContact O-N 3.5Å; S114-T116 PolarHBondContact O-N 3.05Å
115S29.9Very low31.4Very low112 Ų112136.2 Ų136.278%0.78377%0.766SS**  trans-71.5107.5159.1500000109.2S113S113-S115 PolarHBondContact O-N 3.4Å
116T28.6Very low31.3Very low120 Ų120137 Ų13774%0.73677%0.772SS**  trans-105.797.516231.10000109.5S114S114-T116 PolarHBondContact O-N 3.05Å
117S27.7Very low30.8Very low108 Ų108133.8 Ų133.876%0.75577%0.769SS**  trans-65.1117.9148.2470000109.4
118E31.3Very low30.8Very low171 Ų171134.4 Ų134.480%0.79977%0.773SS**  trans-12593.3157.3-71-17216700106.1
119S30.3Very low30.6Very low96 Ų96135.4 Ų135.467%0.67178%0.78SS**  52.998.681.277.40000112.7F121S119-F121 PolarHBondContact O-N 3.36Å
120S26.2Very low30.4Very low125 Ų125129.5 Ų129.587%0.87477%0.771SS**  trans-40.9122.2154.1-6.80000110.8
121F29.6Very low30.5Very low168 Ų168127.8 Ų127.874%0.73776%0.761SS**  trans-147.4133.7157.4-158.9-108.2000112.4S119 Y124S119-F121 PolarHBondContact O-N 3.36Å; F121-Y124 HydrophobicContact CE1-CD2 4.14Å; F121-Y124 HydrophobicContact CE1-CE2 4.11Å; F121-Y124 HydrophobicContact CZ-CD2 4.33Å; F121-Y124 AromaticContact CZ-CE2 3.84Å; F121-Y124 HydrophobicContact CZ-CE2 3.84Å
122S26.3Very low30.6Very low67 Ų67125.6 Ų125.647%0.46976%0.755SS.*  trans-54.8145.1170.642.60000114.4
123T30.5Very low30.5Very low141 Ų141126.1 Ų126.187%0.86575%0.754SS**  trans-118.588.6155.2-41.90000105.6
124Y32.1Very low30.5Very low170 Ų170128 Ų12867%0.66775%0.75SS**  44.8100.393.5-83.9-81.2000113.9F121F121-Y124 HydrophobicContact CE1-CD2 4.14Å; F121-Y124 HydrophobicContact CE1-CE2 4.11Å; F121-Y124 HydrophobicContact CZ-CD2 4.33Å; F121-Y124 AromaticContact CZ-CE2 3.84Å; F121-Y124 HydrophobicContact CZ-CE2 3.84Å
125N25Very low30.6Very low159 Ų159131.1 Ų131.185%0.8575%0.753SS**  trans-52.9134.7150.7-75.5-26.6000109.4
126S33.5Very low30.5Very low113 Ų113133.6 Ų133.679%0.7975%0.752SS**  trans-141.6110.3161.9-49.90000107.3
127S29.6Very low30.7Very low112 Ų112137.4 Ų137.478%0.78376%0.759SS**  trans-68.9137.9172.4-46.10000109.7
128D32.5Very low30.8Very low168 Ų168139.6 Ų139.690%0.89876%0.757SS**  trans-117.3107.4153.8-92.3-24.7000108.1
129S31.5Very low30.7Very low108 Ų108139.8 Ų139.876%0.75576%0.758SS**  trans-60.5139.3152.839.60000109.4
130S34.4Very low30.7Very low97 Ų97146 Ų14668%0.67877%0.767SS**  -170.2161.167.662.80000107.1
131D35Very low30.9Very low126 Ų126146.7 Ų146.767%0.67476%0.76SS**  cis-161.7141.436.9-88.4-57.7000110.1
132L35.2Very low30.9Very low146 Ų146150.1 Ų150.176%0.76477%0.768SS**  trans38.2128.1133.7-51.7171.4000118.3
133T31.9Very low31.2Very low119 Ų119152.9 Ų152.973%0.7379%0.788SS**  cis-177.5124.945-10.50000105.9
134E29.3Very low31.1Very low160 Ų160156.2 Ų156.275%0.74879%0.79SS**  45.4128.5112.5-91.5-173.1-163.800116
135Q32.6Very low31.1Very low167 Ų167151.8 Ų151.878%0.7880%0.796SS**  cis-166.4164.442.9-108.416131.200111.8
136Q27.4Very low31.5Very low164 Ų164149.5 Ų149.577%0.76679%0.79SS**  trans-59155.7-176-59.3165.2-4.200115.2
137F31.9Very low31.2Very low201 Ų201151.6 Ų151.688%0.88279%0.79SS**  -167.5154.7120.1-109-76.7000112.5
138Q30.5Very low31.6Very low154 Ų154154.2 Ų154.272%0.7279%0.794SS**  trans-89.4160.9-156.5-61.2168.9-11.200115.3
139H29.2Very low31.5Very low174 Ų174154.6 Ų154.681%0.80679%0.787SS**  trans36.1118.3143.2-80.8-75.5000120.4
140R30.2Very low31.5Very low228 Ų228154.9 Ų154.986%0.8679%0.789SS**  177.2125.4113.5-101.5171.6166.4-176.9-3114.2
141N31.4Very low31.5Very low139 Ų139159.3 Ų159.374%0.74380%0.797SS**  trans48.1116.3135.5-65.7-16.1000123.1
142R28.1Very low31.1Very low240 Ų240159 Ų15991%0.90680%0.801SS**  34.2115.2129.3-80-178.6163.7179.9-3.4118.1
143S33Very low31Very low125 Ų125158.7 Ų158.787%0.87481%0.805SS**  -169.4125.4120.78.90000114.6
144K29.8Very low30.8Very low211 Ų211163.9 Ų163.992%0.91781%0.812SS**  trans8.6122151.6-59.2176.7179.4178.10122.2
145G31.9Very low30.6Very low76 Ų76167.8 Ų167.878%0.78482%0.82SS**  trans79.4158.6136.900000118.3
146P32.1Very low30.5Very low111 Ų111165.7 Ų165.772%0.72182%0.818SS**  cis-133.5152.920.337.2-18.2000117.2
147I28.4Very low30.4Very low158 Ų158167.3 Ų167.381%0.8182%0.823SS**  trans18.9104.7137.5-51.4169.3000116.6
148I36.7Very low30.2Very low166 Ų166165.2 Ų165.285%0.85182%0.82SS**  trans-110.8123.4161.6-62.3177.7000109.2
149K30.4Very low29.9Very low176 Ų176164.3 Ų164.377%0.76582%0.82SS**PPolyproline II helixtrans-67.2125-169.8-62.9169179.2174.80111.3F151K149-F151 PolarHBondContact O-N 2.88Å
150S31.4Very low30Very low114 Ų114164 Ų16480%0.79782%0.824SS**PPolyproline II helixtrans-69.5120.8165.953.50000110.2
151F34.7Very low29.7Very low191 Ų191158.6 Ų158.684%0.83882%0.819SS**PPolyproline II helixtrans-64.4138.7173.7-74.1-92.3000111.6K149 V153K149-F151 PolarHBondContact O-N 2.88Å; F151-V153 PolarHBondContact O-N 3.46Å
152P27.5Very low29.5Very low118 Ų118156.2 Ų156.277%0.76682%0.819SS**  trans-83.6112.7174.932.6-28.1000109.1R154P152-R154 PolarHBondContact O-N 3.3Å; P152-R154 VanDerWaalsContact O-N 3.13Å
153V33.1Very low29.5Very low140 Ų140150.6 Ų150.685%0.84881%0.807SS**  trans-72.3108.7167178.20000107.9F151 R155F151-V153 PolarHBondContact O-N 3.46Å; V153-R155 PolarHBondContact O-N 2.97Å
154R27Very low29.3Very low228 Ų228153.9 Ų153.986%0.8681%0.805SS**  trans-51.7114.5174.5-76.8176.6169.2175.2-3.6110.4P152 T156P152-R154 PolarHBondContact O-N 3.3Å; P152-R154 VanDerWaalsContact O-N 3.13Å; R154-T156 PolarHBondContact O-N 3.36Å; R154-T156 VanDerWaalsContact O-N 3.13Å
155R26.4Very low29.4Very low243 Ų243148.8 Ų148.892%0.91780%0.796SS**  trans-70.995.5161-80.2179.2165164.8-3.8108.7V153 K157V153-R155 PolarHBondContact O-N 2.97Å; R155-K157 PolarHBondContact O-N 2.96Å
156T29.8Very low29.3Very low123 Ų123148.3 Ų148.376%0.75578%0.781SS**  trans-68.8113.116327.30000108.8R154 L158R154-T156 PolarHBondContact O-N 3.36Å; R154-T156 VanDerWaalsContact O-N 3.13Å; T156-L158 PolarHBondContact O-N 3.39Å; T156-L158 VanDerWaalsContact O-N 3.12Å
157K24.8Very low29.4Very low198 Ų198149.1 Ų149.186%0.86178%0.778SS**  trans-62.2103.3168.8-69.7175.1176.8176.40108.5R155R155-K157 PolarHBondContact O-N 2.96Å
158L28.8Very low29.5Very low156 Ų156147.5 Ų147.582%0.81777%0.77SS**  trans-93.3101.5158.7-88.9159.2000107.8T156 L160T156-L158 PolarHBondContact O-N 3.39Å; T156-L158 VanDerWaalsContact O-N 3.12Å; L158-L160 PolarHBondContact O-N 3.05Å; L158-L160 VanDerWaalsContact O-N 3.13Å
159N24.5Very low29.1Very low135 Ų135141.5 Ų141.572%0.72275%0.745SS**  trans-62.1103.4166.1-72.8-24.5000108.6
160L29.6Very low29.2Very low169 Ų169139.8 Ų139.889%0.88574%0.74SS**  trans-112.883.8155.7-121.278.9000107.8L158L158-L160 PolarHBondContact O-N 3.05Å; L158-L160 VanDerWaalsContact O-N 3.13Å
161C24.5Very low29.2Very low114 Ų114144 Ų14477%0.7774%0.738SS**  trans-63150.4164.7-79.50000110.7
162A26.8Very low28.9Very low88 Ų88142.4 Ų142.473%0.72773%0.731SS**SBendtrans68.486.5154.300000118.4
163N28Very low29Very low123 Ų123145.4 Ų145.466%0.65873%0.727SS**  trans170.543.1130.6-92.1-19.3000113.4
164K29.9Very low28.9Very low193 Ų193143.2 Ų143.284%0.83971%0.714SS**SBendtrans-90.22.2176-77.6-175.6176.4178.30114.6
165S30.2Very low29Very low105 Ų105138.3 Ų138.373%0.73470%0.704SS**SBendtrans-97.4-10.2-178.337.60000115.2
166S31.7Very low29.1Very low65 Ų65130.4 Ų130.446%0.45569%0.686SS.*SBendtrans-99.7-22.6-179.255.40000114.9
167I33Very low29.3Very low129 Ų129132.6 Ų132.666%0.66269%0.688SS**Hα-helixtrans-88.5-28-174.9-60.3169.3000112.4A169I167-A169 VanDerWaalsContact C-N 3.34Å
168L30.4Very low29.7Very low124 Ų124127.2 Ų127.265%0.64967%0.672SS**Hα-helixtrans-78.4-16.7171.8-85.893000113.5
169A29.5Very low29.8Very low39 Ų39123 Ų12332%0.32266%0.655SS.*Hα-helixtrans-81.8-27.2177.600000112.9I167 R173I167-A169 VanDerWaalsContact C-N 3.34Å; A169-R173 PolarHBondContact O-N 3.49Å
170H32Very low30Very low140 Ų140128 Ų12865%0.64866%0.664SS**Hα-helixtrans-79.9-24.9174.8-83.727.6000113.5T174H170-T174 PolarHBondContact O-OG1 2.83Å
171R30.1Very low29.9Very low202 Ų202122.4 Ų122.476%0.76265%0.648SS**Hα-helixtrans-82.1-18.3175.2-148.6172.9-179.1176.7-0.5113.5
172K29.2Very low30.3Very low159 Ų159122.8 Ų122.869%0.69164%0.638SS**Hα-helixtrans-88-21.4173.5-81.4-176.4173.8-176.60113.8S176K172-S176 WeakPolarHBondContact O-CB 3.39Å; K172-S176 PolarHBondContact O-N 3.41Å; K172-S176 PolarHBondContact O-OG 3.44Å
173R28.8Very low30.5Very low180 Ų180123.2 Ų123.268%0.67964%0.636SS**Hα-helixtrans-86.6-24178-77.5-179.7177154.30.1114.4A169 S176A169-R173 PolarHBondContact O-N 3.49Å; R173-S176 PolarHBondContact O-OG 2.97Å
174T31Very low30.7Very low94 Ų94125.2 Ų125.258%0.57764%0.639SS**THydrogen-bonded Turntrans-80.4-24.4168.848.10000112.7H170 V178H170-T174 PolarHBondContact O-OG1 2.83Å; T174-V178 VanDerWaalsContact O-CG2 3.23Å; T174-V178 WeakPolarHBondContact O-CG2 3.24Å
175L30.1Very low31.1Very low125 Ų125119.4 Ų119.465%0.65462%0.617SS**Hα-helixtrans-78.8-28.4174.3-118.474.1000113.2S179L175-S179 PolarHBondContact O-OG 3.37Å; L175-S179 VanDerWaalsContact O-OG 3.1Å
176S29.2Very low31Very low78 Ų78120.4 Ų120.455%0.54561%0.614SS.*Hα-helixtrans-84.4-8.6-173.962.90000115.3K172 R173K172-S176 WeakPolarHBondContact O-CB 3.39Å; K172-S176 PolarHBondContact O-N 3.41Å; K172-S176 PolarHBondContact O-OG 3.44Å; R173-S176 PolarHBondContact O-OG 2.97Å
177Q32.8Very low31.2Very low169 Ų169120.9 Ų120.979%0.7961%0.611SS**Hα-helixtrans-103-15.4171.4-71.7-164.9-21.700113.2S179Q177-S179 VanDerWaalsContact C-N 3.35Å
178V34.1Very low31.1Very low85 Ų85124.4 Ų124.452%0.51562%0.616SS.*Hα-helixtrans-76.2-24.3174.8174.30000111.6T174 R180 G181T174-V178 VanDerWaalsContact O-CG2 3.23Å; T174-V178 WeakPolarHBondContact O-CG2 3.24Å; V178-R180 PolarHBondContact O-N 2.88Å; V178-G181 PolarHBondContact O-N 3.46Å; V178-G181 VanDerWaalsContact O-N 3.15Å
179S29.4Very low31.5Very low68 Ų68123.3 Ų123.348%0.47662%0.618SS.*THydrogen-bonded Turntrans-68.8-3.7-179.5-44.30000115.9L175 Q177L175-S179 PolarHBondContact O-OG 3.37Å; L175-S179 VanDerWaalsContact O-OG 3.1Å; Q177-S179 VanDerWaalsContact C-N 3.35Å
180R28.9Very low31.7Very low238 Ų238126.1 Ų126.190%0.89863%0.631SS**THydrogen-bonded Turntrans-97.9-12.4173.1-77.7-175.8175.5146.9-1.2113.9V178V178-R180 PolarHBondContact O-N 2.88Å
181G28.3Very low32.1Very low53 Ų53125.5 Ų125.555%0.54663%0.633SS.*THydrogen-bonded Turntrans-97.9-15.7176.200000114.4V178 S183 F184V178-G181 PolarHBondContact O-N 3.46Å; V178-G181 VanDerWaalsContact O-N 3.15Å; G181-S183 PolarHBondContact O-N 2.87Å; G181-S183 VanDerWaalsContact O-N 3.08Å; G181-F184 PolarHBondContact O-N 2.87Å
182E32.7Very low32.8Very low121 Ų121117 Ų11757%0.56560%0.604SS**THydrogen-bonded Turntrans-66-10-177.8-72.9176.2159.100114
183S31.9Very low33.5Very low98 Ų98118.5 Ų118.569%0.68561%0.614SS**THydrogen-bonded Turntrans-85.1-18.3178.4-38.40000114.3G181G181-S183 PolarHBondContact O-N 2.87Å; G181-S183 VanDerWaalsContact O-N 3.08Å
184F31.3Very low34.6Very low165 Ų165115.9 Ų115.972%0.72461%0.605SS**SBendtrans-91.5-16.5-169.7-126.7-90.7000114.3G181 L404G181-F184 PolarHBondContact O-N 2.87Å; F184-L404 HydrophobicContact CD1-CD2 4.22Å; F184-L404 HydrophobicContact CE1-CD2 4.04Å
185L37.5Very low35.9Very low71 Ų71112.8 Ų112.837%0.37259%0.591SS.*  trans-132.726-176.2-79.5163.8000112.4L187 L404 K435L185-L187 PolarHBondContact O-N 3.43Å; L185-L404 HydrophobicContact CD2-CD1 3.95Å; L185-K435 HydrophobicContact CD1-CG 4.49Å
186N28.4Very low37.4Very low125 Ų125110.9 Ų110.967%0.66858%0.575SS**  trans-71.471.6153.3-91-23.9000107.5R188N186-R188 PolarHBondContact O-N 3.37Å
187L36.4Very low39.7Very low75 Ų75109.2 Ų109.239%0.39356%0.56SS.*  trans-68.262.1159-155.980000106.4L185 S189 H400L185-L187 PolarHBondContact O-N 3.43Å; L187-S189 PolarHBondContact O-N 3.13Å; L187-H400 HydrophobicContact CD2-CB 4.12Å
188R31.4Very low42Very low204 Ų204102.5 Ų102.577%0.7753%0.532SS*.  trans-46.9129.6154.1-80-175.8171.8-175.5-2.6103.9N186 T190N186-R188 PolarHBondContact O-N 3.37Å; R188-T190 PolarHBondContact O-N 3.26Å
189S38.2Very low44.3Very low101 Ų10199.3 Ų99.371%0.70652%0.516SS*.  trans-44.491.3166.8-52.30000107.5L187 N191L187-S189 PolarHBondContact O-N 3.13Å; S189-N191 PolarHBondContact O-N 3.24Å
190T34.7Very low47.2Very low97 Ų9796.3 Ų96.360%0.59549%0.494SS*.  trans-67.294.1158.345.2000099.8R188 S192R188-T190 PolarHBondContact O-N 3.26Å; T190-S192 PolarHBondContact O-N 2.78Å
191N39.8Very low50.1Low128 Ų12890.5 Ų90.568%0.68448%0.477SS*.  trans-44.1108154.2-79.6-15.2000103.1S189S189-N191 PolarHBondContact O-N 3.24Å
192S44.4Very low53.1Low22 Ų2295 Ų9515%0.15448%0.484CS..  trans-45.1145.6-170.8175.10000108.7T190 Y194 H399T190-S192 PolarHBondContact O-N 2.78Å; S192-Y194 CarbonylContact C-O 3.47Å; S192-Y194 VanDerWaalsContact CB-O 3.29Å; S192-Y194 WeakPolarHBondContact CB-O 3.49Å; S192-Y194 CarbonylContact O-C 3.6Å; S192-Y194 VanDerWaalsContact O-C 3.27Å; S192-Y194 PolarHBondContact O-N 3.27Å; S192-Y194 WeakPolarHBondContact OG-CB 3.25Å; S192-Y194 VanDerWaalsContact OG-CD2 3.3Å; S192-Y194 WeakPolarHBondContact OG-CD2 3.27Å; S192-Y194 PolarHBondContact OG-N 2.87Å; S192-H399 PolarHBondContact OG-CE1 2.84Å; S192-H399 PolarHBondContact OG-NE2 3.22Å; S192-H399 VanDerWaalsContact OG-NE2 3.09Å
193E45Very low56.1Low192 Ų19290.5 Ų90.590%0.89746%0.463SS*.SBendtrans-48.5-22.4168.3-81.5178.6136.600111.6
194Y50.2Low59Low125 Ų12587.3 Ų87.349%0.4944%0.437SS..SBendtrans-87.2119.3167.4-51-78.8000109.7S192 W196 H399S192-Y194 CarbonylContact C-O 3.47Å; S192-Y194 VanDerWaalsContact CB-O 3.29Å; S192-Y194 WeakPolarHBondContact CB-O 3.49Å; S192-Y194 CarbonylContact O-C 3.6Å; S192-Y194 VanDerWaalsContact O-C 3.27Å; S192-Y194 PolarHBondContact O-N 3.27Å; S192-Y194 WeakPolarHBondContact OG-CB 3.25Å; S192-Y194 VanDerWaalsContact OG-CD2 3.3Å; S192-Y194 WeakPolarHBondContact OG-CD2 3.27Å; S192-Y194 PolarHBondContact OG-N 2.87Å; Y194-W196 HydrophobicContact CD1-CH2 4Å; Y194-W196 HydrophobicContact CD1-CZ2 4.02Å; Y194-W196 HydrophobicContact CG-CZ2 4.43Å; Y194-W196 PolarHBondContact O-N 2.97Å; Y194-H399 AromaticContact CD2-NE2 3.83Å
195G58.8Low62Low28 Ų2884.5 Ų84.529%0.28943%0.426SS..SBendtrans-61.17-178.300000116.5T243G195-T243 PolarHBondContact O-OG1 3.44Å
196W62.8Low64.7Low85 Ų8585.1 Ų85.132%0.32243%0.43SS..SBendtrans-130.3162179.863.394.6000111.8P62 Y194 E201 F204P62-W196 HydrophobicContact CG-CH2 4.09Å; Y194-W196 HydrophobicContact CD1-CH2 4Å; Y194-W196 HydrophobicContact CD1-CZ2 4.02Å; Y194-W196 HydrophobicContact CG-CZ2 4.43Å; Y194-W196 PolarHBondContact O-N 2.97Å; W196-E201 PolarHBondContact NE1-OE1 3Å; W196-F204 HydrophobicContact CB-CD2 4.05Å; W196-F204 HydrophobicContact CB-CE2 4.19Å; W196-F204 HydrophobicContact CB-CG 4.28Å
197L77.7Confident67.8Low44 Ų4479.2 Ų79.223%0.2340%0.398CS..  trans-90.3132.7178.3-71.5151.4000110.3G199 R200 A235 S236L197-G199 PolarHBondContact O-N 3.3Å; L197-R200 PolarHBondContact O-N 2.94Å; L197-A235 HydrophobicContact CD1-CB 3.56Å; L197-A235 HydrophobicContact CD2-CB 4.39Å; L197-S236 VanDerWaalsContact CD1-N 3.33Å; L197-S236 WeakPolarHBondContact CD1-OG 3.18Å
198P80.5Confident70.5Confident28 Ų2877.8 Ų77.818%0.18239%0.388CS..THydrogen-bonded Turntrans-62.1134.7177.322.1-28.8000110.8I396 H399P198-I396 HydrophobicContact CB-CG1 4.45Å; P198-I396 HydrophobicContact CG-CG1 4.03Å; P198-I396 WeakPolarHBondContact O-CG1 3.32Å; P198-H399 HydrophobicContact CG-CB 4.46Å
199G81.6Confident73.5Confident18 Ų1870.6 Ų70.619%0.18637%0.367CS..THydrogen-bonded Turntrans83.52.8179.400000115.8L197 Q392L197-G199 PolarHBondContact O-N 3.3Å; G199-Q392 PolarHBondContact O-NE2 2.79Å
200R90.4Very high76.1Confident4 Ų466.9 Ų66.92%0.01534%0.337CS..  trans-128.932.6175.8-65.7-64.2179.3-175.7-9.7113.8L197 E203 F204 T231 F385 A386 Y388L197-R200 PolarHBondContact O-N 2.94Å; R200-E203 WeakPolarHBondContact CA-OE2 3.46Å; R200-E203 WeakPolarHBondContact CD-OE1 3.36Å; R200-E203 WeakPolarHBondContact CD-OE2 3.29Å; R200-E203 IonicContact CZ-OE1 2.8Å; R200-E203 IonicContact NE-OE1 2.86Å; R200-E203 IonicContact NH1-OE1 3.63Å; R200-E203 PolarHBondContact NH1-OE1 3.29Å; R200-E203 PolarHBondContact O-N 2.89Å; R200-F204 VanDerWaalsContact O-CB 3.31Å; R200-F204 WeakPolarHBondContact O-CB 3.4Å; R200-F204 PolarHBondContact O-N 3.38Å; R200-T231 PolarHBondContact NE-O 3.02Å; R200-F385 HydrophobicContact CG-CE1 4.31Å; R200-A386 PolarHBondContact NH1-O 3.48Å; R200-A386 PolarHBondContact NH2-O 3.16Å; R200-Y388 HydrophobicContact CG-CE1 3.9Å; R200-Y388 VanDerWaalsContact CG-OH 3.26Å; R200-Y388 WeakPolarHBondContact CG-OH 3.34Å; R200-Y388 VanDerWaalsContact NE-CE1 3.3Å; R200-Y388 PolarHBondContact NE-OH 3.3Å
201E90.1Very high78.9Confident116 Ų11662.2 Ų62.254%0.54231%0.309SS..Hα-helixtrans-66.9-40.2-174.4-62-179.8171.200111.5W196 F204 E205W196-E201 PolarHBondContact NE1-OE1 3Å; E201-F204 WeakPolarHBondContact O-CB 3.39Å; E201-F204 PolarHBondContact O-N 3.01Å; E201-E205 PolarHBondContact O-N 3.22Å
202Q92.3Very high81.4Confident148 Ų14857.8 Ų57.869%0.69229%0.285SS*.Hα-helixtrans-66.9-43.1177.9-64.9178.10.100111.7F204 E205 N206Q202-F204 VanDerWaalsContact C-N 3.33Å; Q202-E205 PolarHBondContact O-N 3.07Å; Q202-N206 WeakPolarHBondContact O-CB 3.27Å; Q202-N206 PolarHBondContact O-N 3.27Å; Q202-N206 PolarHBondContact O-ND2 3.35Å
203E94Very high83.7Confident27 Ų2760.5 Ų60.513%0.12630%0.298CS..Hα-helixtrans-66.2-38.2177-6392.6147.900111.5R200 N206 I207 L383 F385R200-E203 WeakPolarHBondContact CA-OE2 3.46Å; R200-E203 WeakPolarHBondContact CD-OE1 3.36Å; R200-E203 WeakPolarHBondContact CD-OE2 3.29Å; R200-E203 IonicContact CZ-OE1 2.8Å; R200-E203 IonicContact NE-OE1 2.86Å; R200-E203 IonicContact NH1-OE1 3.63Å; R200-E203 PolarHBondContact NH1-OE1 3.29Å; R200-E203 PolarHBondContact O-N 2.89Å; E203-N206 PolarHBondContact O-N 2.88Å; E203-I207 VanDerWaalsContact O-CG1 3.25Å; E203-I207 WeakPolarHBondContact O-CG1 3.31Å; E203-I207 PolarHBondContact O-N 3.3Å; E203-L383 HydrophobicContact CB-CD2 4.24Å; E203-L383 HydrophobicContact CG-CD1 4.32Å; E203-F385 HydrophobicContact CB-CE1 4.06Å; E203-F385 HydrophobicContact CB-CE2 4.3Å; E203-F385 HydrophobicContact CB-CZ 3.76Å; E203-F385 HydrophobicContact CG-CE1 4.23Å; E203-F385 HydrophobicContact CG-CE2 4.41Å; E203-F385 HydrophobicContact CG-CZ 4.16Å
204F93.6Very high85.8Confident30 Ų3053.5 Ų53.513%0.13226%0.264CS..Hα-helixtrans-60.3-48.4173.4-178.2-81.4000111.3W196 R200 E201 Q202 N206 I207 Y208 A239 V240 T243W196-F204 HydrophobicContact CB-CD2 4.05Å; W196-F204 HydrophobicContact CB-CE2 4.19Å; W196-F204 HydrophobicContact CB-CG 4.28Å; R200-F204 VanDerWaalsContact O-CB 3.31Å; R200-F204 WeakPolarHBondContact O-CB 3.4Å; R200-F204 PolarHBondContact O-N 3.38Å; E201-F204 WeakPolarHBondContact O-CB 3.39Å; E201-F204 PolarHBondContact O-N 3.01Å; Q202-F204 VanDerWaalsContact C-N 3.33Å; F204-N206 VanDerWaalsContact C-N 3.34Å; F204-N206 PolarHBondContact O-N 3.29Å; F204-I207 PolarHBondContact O-N 3.45Å; F204-Y208 VanDerWaalsContact O-CB 3.27Å; F204-Y208 WeakPolarHBondContact O-CB 3.29Å; F204-Y208 PolarHBondContact O-N 2.7Å; F204-A239 HydrophobicContact CD2-CB 4.39Å; F204-A239 HydrophobicContact CE2-CB 4.04Å; F204-V240 HydrophobicContact CB-CG2 4.49Å; F204-V240 HydrophobicContact CD1-CG2 4.29Å; F204-V240 HydrophobicContact CD2-CB 4.44Å; F204-V240 HydrophobicContact CD2-CG2 3.31Å; F204-V240 HydrophobicContact CE1-CG2 4.35Å; F204-V240 HydrophobicContact CE2-CB 4.12Å; F204-V240 HydrophobicContact CE2-CG2 3.41Å; F204-V240 VanDerWaalsContact CE2-CG2 3.41Å; F204-V240 HydrophobicContact CG-CG2 3.78Å; F204-V240 HydrophobicContact CZ-CB 4.5Å; F204-V240 HydrophobicContact CZ-CG2 3.94Å; F204-T243 HydrophobicContact CZ-CG2 4.34Å
205E93.3Very high87.7Confident107 Ų10747.7 Ų47.750%0.524%0.242SC..Hα-helixtrans-60.8-42.3178-175.2175.8-170.700111.9E201 Q202 Y208 T209E201-E205 PolarHBondContact O-N 3.22Å; Q202-E205 PolarHBondContact O-N 3.07Å; E205-Y208 PolarHBondContact O-N 3.19Å; E205-T209 WeakPolarHBondContact O-CB 3.48Å; E205-T209 PolarHBondContact O-N 2.82Å; E205-T209 PolarHBondContact O-OG1 3.12Å
206N94.5Very high89.1Confident84 Ų8449.9 Ų49.945%0.44925%0.253SS..Hα-helixtrans-62.6-45.2177.6-73.2-23.5000112.6Q202 E203 F204 F210 L383Q202-N206 WeakPolarHBondContact O-CB 3.27Å; Q202-N206 PolarHBondContact O-N 3.27Å; Q202-N206 PolarHBondContact O-ND2 3.35Å; E203-N206 PolarHBondContact O-N 2.88Å; F204-N206 VanDerWaalsContact C-N 3.34Å; F204-N206 PolarHBondContact O-N 3.29Å; N206-F210 VanDerWaalsContact O-CB 3.31Å; N206-F210 WeakPolarHBondContact O-CB 3.43Å; N206-F210 PolarHBondContact O-N 3.07Å; N206-L383 HydrophobicContact CB-CD1 4.2Å
207I94.5Very high90.2Very high0 Ų052 Ų520%027%0.266CS..Hα-helixtrans-67-45.2177.8-63164.9000109.8E203 F204 F210 I211 M223 I225 V237 V240 L383 F385E203-I207 VanDerWaalsContact O-CG1 3.25Å; E203-I207 WeakPolarHBondContact O-CG1 3.31Å; E203-I207 PolarHBondContact O-N 3.3Å; F204-I207 PolarHBondContact O-N 3.45Å; I207-F210 PolarHBondContact O-N 3.17Å; I207-I211 HydrophobicContact CG2-CD1 3.86Å; I207-I211 HydrophobicContact CG2-CG1 4.47Å; I207-I211 WeakPolarHBondContact O-CG1 3.3Å; I207-I211 PolarHBondContact O-N 2.85Å; I207-M223 HydrophobicContact CG1-SD 4.16Å; I207-I225 HydrophobicContact CD1-CD1 4.01Å; I207-I225 HydrophobicContact CG1-CD1 4.29Å; I207-V237 HydrophobicContact CD1-CG2 4.1Å; I207-V240 HydrophobicContact CB-CG2 4.13Å; I207-V240 HydrophobicContact CG2-CB 4.24Å; I207-V240 HydrophobicContact CG2-CG1 4.05Å; I207-V240 HydrophobicContact CG2-CG2 4.07Å; I207-L383 HydrophobicContact CD1-CD2 3.72Å; I207-L383 HydrophobicContact CG1-CD2 3.44Å; I207-L383 VanDerWaalsContact CG1-CD2 3.44Å; I207-F385 HydrophobicContact CD1-CZ 4.23Å
208Y93.2Very high90.5Very high46 Ų4653.4 Ų53.418%0.1827%0.274CS..Hα-helixtrans-59.9-49.8179-179.2-90.6000111.5F204 E205 F210 I211 L212 V240 M244 L247F204-Y208 VanDerWaalsContact O-CB 3.27Å; F204-Y208 WeakPolarHBondContact O-CB 3.29Å; F204-Y208 PolarHBondContact O-N 2.7Å; E205-Y208 PolarHBondContact O-N 3.19Å; Y208-F210 VanDerWaalsContact C-N 3.31Å; Y208-F210 PolarHBondContact O-N 2.8Å; Y208-I211 PolarHBondContact O-N 2.83Å; Y208-L212 HydrophobicContact CE1-CD2 3.96Å; Y208-L212 VanDerWaalsContact O-CB 3.26Å; Y208-L212 WeakPolarHBondContact O-CB 3.44Å; Y208-L212 PolarHBondContact O-N 3.27Å; Y208-V240 HydrophobicContact CD2-CG1 4.2Å; Y208-M244 HydrophobicContact CD2-CG 3.74Å; Y208-M244 HydrophobicContact CD2-SD 4.16Å; Y208-M244 HydrophobicContact CE2-CG 3.58Å; Y208-M244 HydrophobicContact CE2-SD 4.37Å; Y208-L247 HydrophobicContact CE2-CD1 4.21Å; Y208-L247 WeakPolarHBondContact OH-CD1 3.46Å
209T93.5Very high90.9Very high53 Ų5353.5 Ų53.533%0.32528%0.275SS..Hα-helixtrans-62.3-39.4179.7-590000111.2E205 N213E205-T209 WeakPolarHBondContact O-CB 3.48Å; E205-T209 PolarHBondContact O-N 2.82Å; E205-T209 PolarHBondContact O-OG1 3.12Å; T209-N213 WeakPolarHBondContact CG2-ND2 3.22Å; T209-N213 VanDerWaalsContact O-CB 3.25Å; T209-N213 WeakPolarHBondContact O-CB 3.45Å; T209-N213 PolarHBondContact O-N 2.87Å; T209-N213 PolarHBondContact O-ND2 3.12Å
210F93.8Very high91.2Very high22 Ų2253 Ų5310%0.09627%0.27CS..Hα-helixtrans-63.4-50176175.1-97.9000112.5N206 I207 Y208 L212 N213 K214 M223 I355 L357 T381N206-F210 VanDerWaalsContact O-CB 3.31Å; N206-F210 WeakPolarHBondContact O-CB 3.43Å; N206-F210 PolarHBondContact O-N 3.07Å; I207-F210 PolarHBondContact O-N 3.17Å; Y208-F210 VanDerWaalsContact C-N 3.31Å; Y208-F210 PolarHBondContact O-N 2.8Å; F210-L212 VanDerWaalsContact C-N 3.34Å; F210-L212 PolarHBondContact O-N 2.98Å; F210-N213 PolarHBondContact O-N 2.84Å; F210-K214 HydrophobicContact CD2-CG 4.44Å; F210-K214 HydrophobicContact CE1-CG 4.28Å; F210-K214 HydrophobicContact CE2-CG 4.15Å; F210-K214 HydrophobicContact CZ-CG 4.07Å; F210-K214 WeakPolarHBondContact O-CB 3.38Å; F210-K214 VanDerWaalsContact O-CG 3.25Å; F210-K214 WeakPolarHBondContact O-CG 3.21Å; F210-K214 PolarHBondContact O-N 2.74Å; F210-M223 HydrophobicContact CB-CE 3.31Å; F210-M223 HydrophobicContact CB-SD 4.49Å; F210-M223 HydrophobicContact CD1-CB 4.04Å; F210-M223 HydrophobicContact CD1-CE 3.63Å; F210-M223 HydrophobicContact CD1-SD 4.16Å; F210-M223 HydrophobicContact CD2-CE 3.56Å; F210-M223 HydrophobicContact CE1-CB 3.62Å; F210-M223 HydrophobicContact CE1-CE 4.31Å; F210-M223 HydrophobicContact CE2-CB 4.41Å; F210-M223 HydrophobicContact CE2-CE 4.24Å; F210-M223 HydrophobicContact CG-CE 3.2Å; F210-M223 HydrophobicContact CG-SD 4.31Å; F210-M223 HydrophobicContact CZ-CB 3.82Å; F210-I355 HydrophobicContact CE1-CG2 3.92Å; F210-L357 HydrophobicContact CD1-CD2 4.22Å; F210-L357 HydrophobicContact CE1-CD2 4.07Å; F210-T381 HydrophobicContact CE2-CG2 4.1Å
211I92.8Very high91.1Very high0 Ų053.3 Ų53.30%028%0.275CS..Hα-helixtrans-64.1-43.7179.7-59.1167.5000109.6I207 Y208 K214 L215 V240 L241 M244 V321 L357I207-I211 HydrophobicContact CG2-CD1 3.86Å; I207-I211 HydrophobicContact CG2-CG1 4.47Å; I207-I211 WeakPolarHBondContact O-CG1 3.3Å; I207-I211 PolarHBondContact O-N 2.85Å; Y208-I211 PolarHBondContact O-N 2.83Å; I211-K214 PolarHBondContact O-N 3.39Å; I211-L215 HydrophobicContact CG2-CD1 3.75Å; I211-L215 HydrophobicContact CG2-CG 4.11Å; I211-L215 WeakPolarHBondContact O-CB 3.36Å; I211-L215 VanDerWaalsContact O-CG 3.27Å; I211-L215 WeakPolarHBondContact O-CG 3.24Å; I211-L215 PolarHBondContact O-N 2.73Å; I211-V240 HydrophobicContact CD1-CG1 3.93Å; I211-L241 HydrophobicContact CD1-CD2 4.18Å; I211-M244 HydrophobicContact CB-CE 4.12Å; I211-M244 HydrophobicContact CB-SD 3.94Å; I211-M244 HydrophobicContact CD1-SD 4.12Å; I211-M244 HydrophobicContact CG2-CE 3.65Å; I211-M244 HydrophobicContact CG2-SD 3.71Å; I211-V321 HydrophobicContact CG2-CG2 4.24Å; I211-L357 HydrophobicContact CD1-CD1 3.83Å; I211-L357 HydrophobicContact CG1-CD1 4.35Å; I211-L357 HydrophobicContact CG1-CD2 4.5Å
212L92Very high91.3Very high35 Ų3548.2 Ų48.218%0.18325%0.252CS..Hα-helixtrans-58-52.2177.5-178.364.5000111.5Y208 F210 K214 L215 S216 I257Y208-L212 HydrophobicContact CE1-CD2 3.96Å; Y208-L212 VanDerWaalsContact O-CB 3.26Å; Y208-L212 WeakPolarHBondContact O-CB 3.44Å; Y208-L212 PolarHBondContact O-N 3.27Å; F210-L212 VanDerWaalsContact C-N 3.34Å; F210-L212 PolarHBondContact O-N 2.98Å; L212-K214 VanDerWaalsContact C-N 3.28Å; L212-K214 PolarHBondContact O-N 2.61Å; L212-L215 PolarHBondContact O-N 3.36Å; L212-S216 WeakPolarHBondContact O-CB 3.46Å; L212-S216 PolarHBondContact O-N 3.29Å; L212-S216 PolarHBondContact O-OG 3.39Å; L212-S216 VanDerWaalsContact O-OG 3.07Å; L212-I257 HydrophobicContact CD1-CD1 4.08Å; L212-I257 HydrophobicContact CD1-CG1 3.72Å
213N92.1Very high91.3Very high78 Ų7841.9 Ų41.942%0.41722%0.222SC..Hα-helixtrans-58.2-41.5179.1-73.8-20.6000111.9T209 F210 Q217T209-N213 WeakPolarHBondContact CG2-ND2 3.22Å; T209-N213 VanDerWaalsContact O-CB 3.25Å; T209-N213 WeakPolarHBondContact O-CB 3.45Å; T209-N213 PolarHBondContact O-N 2.87Å; T209-N213 PolarHBondContact O-ND2 3.12Å; F210-N213 PolarHBondContact O-N 2.84Å; N213-Q217 VanDerWaalsContact O-CB 3.25Å; N213-Q217 WeakPolarHBondContact O-CB 3.21Å; N213-Q217 WeakPolarHBondContact O-CG 3.15Å; N213-Q217 PolarHBondContact O-N 3.48Å
214K90.7Very high91.3Very high45 Ų4540.6 Ų40.620%0.19622%0.217CC..Hα-helixtrans-69.8-38.9179.5-69.7-63.5-176.7174.90113F210 I211 L212 N218 S219 G220 I355F210-K214 HydrophobicContact CD2-CG 4.44Å; F210-K214 HydrophobicContact CE1-CG 4.28Å; F210-K214 HydrophobicContact CE2-CG 4.15Å; F210-K214 HydrophobicContact CZ-CG 4.07Å; F210-K214 WeakPolarHBondContact O-CB 3.38Å; F210-K214 VanDerWaalsContact O-CG 3.25Å; F210-K214 WeakPolarHBondContact O-CG 3.21Å; F210-K214 PolarHBondContact O-N 2.74Å; I211-K214 PolarHBondContact O-N 3.39Å; L212-K214 VanDerWaalsContact C-N 3.28Å; L212-K214 PolarHBondContact O-N 2.61Å; K214-N218 PolarHBondContact O-N 2.85Å; K214-S219 PolarHBondContact O-N 3.27Å; K214-G220 PolarHBondContact NZ-O 3.46Å; K214-I355 HydrophobicContact CB-CD1 3.54Å; K214-I355 HydrophobicContact CB-CG1 3.96Å
215L89.3Confident91.4Very high4 Ų439.2 Ų39.22%0.02121%0.21CC..Hα-helixtrans-67.5-44.1174.1-71.3176.8000111.7I211 L212 N218 M244 I257 P258 F260 P319 I355I211-L215 HydrophobicContact CG2-CD1 3.75Å; I211-L215 HydrophobicContact CG2-CG 4.11Å; I211-L215 WeakPolarHBondContact O-CB 3.36Å; I211-L215 VanDerWaalsContact O-CG 3.27Å; I211-L215 WeakPolarHBondContact O-CG 3.24Å; I211-L215 PolarHBondContact O-N 2.73Å; L212-L215 PolarHBondContact O-N 3.36Å; L215-N218 PolarHBondContact O-N 3.44Å; L215-M244 HydrophobicContact CD1-CE 3.8Å; L215-I257 HydrophobicContact CD1-CG2 3.81Å; L215-P258 HydrophobicContact CB-CG 3.93Å; L215-P258 HydrophobicContact CD2-CG 4.45Å; L215-F260 HydrophobicContact CD1-CD1 3.6Å; L215-F260 HydrophobicContact CD1-CE1 3.97Å; L215-F260 HydrophobicContact CD1-CG 4.15Å; L215-F260 HydrophobicContact CD2-CB 4.05Å; L215-F260 HydrophobicContact CD2-CG 4.45Å; L215-P319 HydrophobicContact CD2-CB 3.8Å; L215-P319 HydrophobicContact CD2-CG 3.77Å; L215-I355 HydrophobicContact CD2-CD1 3.77Å; L215-I355 HydrophobicContact CG-CD1 3.92Å
216S87.5Confident91.4Very high74 Ų7434.2 Ų34.252%0.51719%0.187SC..Hα-helixtrans-67.8-35.9179-60.20000112.9L212 N218L212-S216 WeakPolarHBondContact O-CB 3.46Å; L212-S216 PolarHBondContact O-N 3.29Å; L212-S216 PolarHBondContact O-OG 3.39Å; L212-S216 VanDerWaalsContact O-OG 3.07Å; S216-N218 PolarHBondContact O-N 3.15Å
217Q86.8Confident91.3Very high129 Ų12930.2 Ų30.260%0.60317%0.166SC*.THydrogen-bonded Turntrans-79.6-5.2175.7-69.2173.7-1.700113.2N213 S219N213-Q217 VanDerWaalsContact O-CB 3.25Å; N213-Q217 WeakPolarHBondContact O-CB 3.21Å; N213-Q217 WeakPolarHBondContact O-CG 3.15Å; N213-Q217 PolarHBondContact O-N 3.48Å; Q217-S219 PolarHBondContact O-N 2.84Å
218N84.5Confident91.2Very high73 Ų7334 Ų3439%0.3919%0.185SC..THydrogen-bonded Turntrans45.743.7-169.8-15236.1000111.9K214 L215 S216 V353K214-N218 PolarHBondContact O-N 2.85Å; L215-N218 PolarHBondContact O-N 3.44Å; S216-N218 PolarHBondContact O-N 3.15Å; N218-V353 HydrophobicContact CB-CG2 4.43Å; N218-V353 VanDerWaalsContact O-CG2 3.25Å; N218-V353 WeakPolarHBondContact O-CG2 3.37Å; N218-V353 VanDerWaalsContact OD1-CG2 3.24Å; N218-V353 WeakPolarHBondContact OD1-CG2 3.37Å
219S88Confident91.2Very high30 Ų3034.8 Ų34.821%0.2120%0.197CC..  trans-120.8138.4-173.1-179.10000110.7K214 Q217 V353K214-S219 PolarHBondContact O-N 3.27Å; Q217-S219 PolarHBondContact O-N 2.84Å; S219-V353 VanDerWaalsContact C-CG1 3.42Å; S219-V353 WeakPolarHBondContact O-CG1 3.26Å
220G87.5Confident91Very high8 Ų832.8 Ų32.88%0.08219%0.186CC..  trans-67.2161.4173.600000112.3K214 L354K214-G220 PolarHBondContact NZ-O 3.46Å; G220-L354 VanDerWaalsContact CA-O 3.24Å; G220-L354 WeakPolarHBondContact CA-O 3.37Å
221G90.1Very high90.9Very high11 Ų1131.8 Ų31.811%0.11318%0.182CC..EExtended strand (participates in β ladder)trans-177.3164.6174.900000112.3L354 I355 V356G221-L354 PolarHBondContact N-O 3.3Å; G221-I355 CarbonylContact O-C 3.27Å; G221-I355 WeakPolarHBondContact O-CA 3.34Å; G221-V356 PolarHBondContact O-N 3.32Å
222C92.4Very high90.9Very high9 Ų932.7 Ų32.76%0.06119%0.192CC..EExtended strand (participates in β ladder)trans-126.9146172.250.60000109.8F342 V356 R377 L378 T381C222-F342 HydrophobicContact CB-CD1 4.3Å; C222-V356 CarbonylContact C-O 3.55Å; C222-V356 WeakPolarHBondContact CA-O 3.26Å; C222-V356 HydrophobicContact CB-CB 4.17Å; C222-R377 PolarHBondContact SG-O 2.99Å; C222-L378 HydrophobicContact CB-CD1 4.08Å; C222-L378 VanDerWaalsContact SG-C 3.54Å; C222-L378 WeakPolarHBondContact SG-CA 3.4Å; C222-L378 PolarHBondContact SG-O 2.8Å; C222-T381 PolarHBondContact O-OG1 3.33Å
223M93.7Very high90.9Very high14 Ų1431.5 Ų31.57%0.06919%0.185CC..EExtended strand (participates in β ladder)trans-127.8132.5171.7174.6176.9-8100108.2I207 F210 I225 V356 L357 A358I207-M223 HydrophobicContact CG1-SD 4.16Å; F210-M223 HydrophobicContact CB-CE 3.31Å; F210-M223 HydrophobicContact CB-SD 4.49Å; F210-M223 HydrophobicContact CD1-CB 4.04Å; F210-M223 HydrophobicContact CD1-CE 3.63Å; F210-M223 HydrophobicContact CD1-SD 4.16Å; F210-M223 HydrophobicContact CD2-CE 3.56Å; F210-M223 HydrophobicContact CE1-CB 3.62Å; F210-M223 HydrophobicContact CE1-CE 4.31Å; F210-M223 HydrophobicContact CE2-CB 4.41Å; F210-M223 HydrophobicContact CE2-CE 4.24Å; F210-M223 HydrophobicContact CG-CE 3.2Å; F210-M223 HydrophobicContact CG-SD 4.31Å; F210-M223 HydrophobicContact CZ-CB 3.82Å; M223-I225 HydrophobicContact CG-CG1 4.09Å; M223-I225 HydrophobicContact SD-CD1 4.41Å; M223-I225 HydrophobicContact SD-CG1 4.27Å; M223-V356 PolarHBondContact N-O 3.42Å; M223-L357 HydrophobicContact CB-CD2 3.86Å; M223-L357 HydrophobicContact SD-CD2 4.41Å; M223-A358 PolarHBondContact O-N 3.43Å
224Y93.9Very high90.9Very high1 Ų129.4 Ų29.40%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-100.5119.7176.1-176-115.3000110.7L327 A358 A360 T362 L365 P366 L378 T381 R382 L383Y224-L327 HydrophobicContact CE2-CD2 4.41Å; Y224-A358 HydrophobicContact CD2-CB 4.19Å; Y224-A360 HydrophobicContact CE2-CB 3.74Å; Y224-A360 WeakPolarHBondContact OH-CB 3.49Å; Y224-T362 PolarHBondContact OH-O 2.75Å; Y224-L365 HydrophobicContact CE2-CD2 4.3Å; Y224-L365 WeakPolarHBondContact OH-CB 3.39Å; Y224-P366 HydrophobicContact CD1-CG 3.84Å; Y224-P366 HydrophobicContact CD2-CG 4.45Å; Y224-P366 HydrophobicContact CE1-CG 3.6Å; Y224-P366 HydrophobicContact CE2-CG 4.28Å; Y224-P366 HydrophobicContact CG-CG 4.25Å; Y224-L378 HydrophobicContact CD2-CD2 3.95Å; Y224-L378 HydrophobicContact CG-CD2 3.85Å; Y224-T381 PolarHBondContact N-O 3.06Å; Y224-R382 HydrophobicContact CD1-CG 4.3Å; Y224-R382 CarbonylContact O-C 3.54Å; Y224-R382 WeakPolarHBondContact O-CA 3.36Å; Y224-L383 PolarHBondContact O-N 3.48Å
225I95Very high91Very high0 Ų029.1 Ų29.10%018%0.181CC..EExtended strand (participates in β ladder)trans-110.8116.6180-58.4174000108.3I207 M223 K233 V237 A358 I359 A360 L383 F385I207-I225 HydrophobicContact CD1-CD1 4.01Å; I207-I225 HydrophobicContact CG1-CD1 4.29Å; M223-I225 HydrophobicContact CG-CG1 4.09Å; M223-I225 HydrophobicContact SD-CD1 4.41Å; M223-I225 HydrophobicContact SD-CG1 4.27Å; I225-K233 HydrophobicContact CG2-CB 4.23Å; I225-K233 HydrophobicContact CG2-CD 4.3Å; I225-K233 HydrophobicContact CG2-CG 4.36Å; I225-V237 HydrophobicContact CD1-CG2 3.45Å; I225-V237 VanDerWaalsContact CD1-CG2 3.45Å; I225-A358 PolarHBondContact N-O 3.17Å; I225-I359 HydrophobicContact CB-CG1 4.33Å; I225-I359 HydrophobicContact CD1-CG1 4.42Å; I225-I359 CarbonylContact O-C 3.55Å; I225-I359 WeakPolarHBondContact O-CA 3.46Å; I225-A360 PolarHBondContact O-N 2.75Å; I225-L383 WeakPolarHBondContact CA-O 3.47Å; I225-L383 HydrophobicContact CG1-CB 4.41Å; I225-F385 HydrophobicContact CG2-CD2 3.57Å; I225-F385 HydrophobicContact CG2-CE2 3.34Å; I225-F385 HydrophobicContact CG2-CZ 4.4Å
226S93.4Very high91.2Very high2 Ų229 Ų291%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-121.9156.9-176.754.70000111.5M363 L383 F385S226-M363 VanDerWaalsContact CB-SD 3.59Å; S226-M363 WeakPolarHBondContact OG-CE 3.36Å; S226-L383 PolarHBondContact N-O 2.87Å; S226-L383 PolarHBondContact OG-O 2.98Å; S226-F385 WeakPolarHBondContact O-CB 3.4Å; S226-F385 PolarHBondContact O-N 3.17Å
227G92.7Very high91.5Very high1 Ų125.5 Ų25.51%0.0116%0.156CC..EExtended strand (participates in β ladder)trans161.2165.4174.500000112.5K233 A360 N361 M363 F385G227-K233 PolarHBondContact O-NZ 3.32Å; G227-A360 PolarHBondContact N-O 3.45Å; G227-N361 CarbonylContact O-C 3.42Å; G227-N361 VanDerWaalsContact O-CA 3.28Å; G227-N361 WeakPolarHBondContact O-CA 3.35Å; G227-M363 WeakPolarHBondContact CA-SD 3.27Å; G227-M363 PolarHBondContact N-SD 3.47Å; G227-M363 VanDerWaalsContact N-SD 3.36Å; G227-F385 WeakPolarHBondContact CA-O 3.23Å
228I91.9Very high91.8Very high78 Ų7823.7 Ų23.740%0.415%0.147SC..  trans-61.6149.8175.4-59.7172.8000109.4T231 K233 P387I228-T231 HydrophobicContact CB-CG2 4.21Å; I228-T231 WeakPolarHBondContact O-CG2 3.28Å; I228-T231 PolarHBondContact O-OG1 3.43Å; I228-K233 PolarHBondContact O-NZ 3.26Å; I228-K233 VanDerWaalsContact O-NZ 3.1Å; I228-P387 HydrophobicContact CD1-CB 4.46Å
229P92.6Very high92.1Very high64 Ų6420.9 Ų20.942%0.41613%0.134SC..THydrogen-bonded Turntrans-53.8144.9170.822.3-35.7000111.7T231P229-T231 VanDerWaalsContact C-N 3.32Å; P229-T231 PolarHBondContact O-N 2.87Å
230G90.4Very high92.3Very high10 Ų1019.4 Ų19.410%0.10312%0.124CC..THydrogen-bonded Turntrans822.9176.900000116.4G232 D426 V427G230-G232 VanDerWaalsContact C-N 3.25Å; G230-G232 PolarHBondContact O-N 3.48Å; G230-D426 WeakPolarHBondContact CA-OD1 3.25Å; G230-V427 PolarHBondContact O-N 3.45Å
231T92Very high92.6Very high1 Ų119.6 Ų19.61%0.00612%0.123CC..SBendtrans-78.4-2173.550.80000114.3R200 I228 P229 K233 Y388R200-T231 PolarHBondContact NE-O 3.02Å; I228-T231 HydrophobicContact CB-CG2 4.21Å; I228-T231 WeakPolarHBondContact O-CG2 3.28Å; I228-T231 PolarHBondContact O-OG1 3.43Å; P229-T231 VanDerWaalsContact C-N 3.32Å; P229-T231 PolarHBondContact O-N 2.87Å; T231-K233 WeakPolarHBondContact OG1-CG 3.08Å; T231-Y388 VanDerWaalsContact C-CE2 3.4Å; T231-Y388 WeakPolarHBondContact O-CE2 3.47Å; T231-Y388 VanDerWaalsContact O-CZ 3.23Å; T231-Y388 PolarHBondContact O-OH 3.17Å
232G91.5Very high92.6Very high20 Ų2021.2 Ų21.221%0.20613%0.133CC..SBendtrans85.318.6176.300000115.6G230 A235 S236G230-G232 VanDerWaalsContact C-N 3.25Å; G230-G232 PolarHBondContact O-N 3.48Å; G232-A235 PolarHBondContact O-N 2.99Å; G232-S236 WeakPolarHBondContact O-CB 3.38Å; G232-S236 PolarHBondContact O-N 3.18Å; G232-S236 PolarHBondContact O-OG 3.37Å
233K92.9Very high92.4Very high10 Ų1022.3 Ų22.34%0.04314%0.139CC..Hα-helixtrans-51.5-61.1178.5-53.5-173.8-63.8-900113.1I225 G227 I228 T231 A235 S236 V237 I359 A360 N361 F385I225-K233 HydrophobicContact CG2-CB 4.23Å; I225-K233 HydrophobicContact CG2-CD 4.3Å; I225-K233 HydrophobicContact CG2-CG 4.36Å; G227-K233 PolarHBondContact O-NZ 3.32Å; I228-K233 PolarHBondContact O-NZ 3.26Å; I228-K233 VanDerWaalsContact O-NZ 3.1Å; T231-K233 WeakPolarHBondContact OG1-CG 3.08Å; K233-A235 VanDerWaalsContact C-N 3.32Å; K233-A235 PolarHBondContact O-N 2.9Å; K233-S236 PolarHBondContact O-N 3.49Å; K233-V237 PolarHBondContact O-N 2.68Å; K233-V237 VanDerWaalsContact O-N 3.1Å; K233-I359 HydrophobicContact CB-CG2 3.8Å; K233-I359 HydrophobicContact CD-CG2 4.05Å; K233-A360 VanDerWaalsContact CE-O 3.25Å; K233-A360 WeakPolarHBondContact CE-O 3.42Å; K233-N361 PolarHBondContact NZ-OD1 3.25Å; K233-F385 HydrophobicContact CD-CB 4.49Å; K233-F385 HydrophobicContact CG-CB 4.02Å; K233-F385 HydrophobicContact CG-CD1 4.14Å; K233-F385 HydrophobicContact CG-CD2 3.98Å; K233-F385 HydrophobicContact CG-CG 3.78Å
234T93.1Very high92.1Very high34 Ų3421.7 Ų21.721%0.20914%0.136CC..Hα-helixtrans-59.3-43-179.8-47.20000111.8S236 V237 Q238 Y264 D325T234-S236 VanDerWaalsContact C-N 3.33Å; T234-S236 PolarHBondContact O-N 2.92Å; T234-V237 PolarHBondContact O-N 3.25Å; T234-Q238 HydrophobicContact CG2-CG 4.46Å; T234-Q238 WeakPolarHBondContact O-CB 3.42Å; T234-Q238 VanDerWaalsContact O-CG 3.28Å; T234-Q238 WeakPolarHBondContact O-CG 3.36Å; T234-Q238 PolarHBondContact O-N 3.46Å; T234-Y264 HydrophobicContact CG2-CE2 4.26Å; T234-D325 WeakPolarHBondContact CB-OD2 3.13Å; T234-D325 WeakPolarHBondContact CG2-OD2 3.34Å; T234-D325 PolarHBondContact OG1-OD1 3.45Å; T234-D325 PolarHBondContact OG1-OD2 3.2Å
235A92.2Very high91.8Very high39 Ų3925.2 Ų25.232%0.32215%0.153SC..Hα-helixtrans-64.6-38.1179.700000111.7L197 G232 K233 Q238 A239L197-A235 HydrophobicContact CD1-CB 3.56Å; L197-A235 HydrophobicContact CD2-CB 4.39Å; G232-A235 PolarHBondContact O-N 2.99Å; K233-A235 VanDerWaalsContact C-N 3.32Å; K233-A235 PolarHBondContact O-N 2.9Å; A235-Q238 PolarHBondContact O-N 3.45Å; A235-A239 VanDerWaalsContact O-CB 3.26Å; A235-A239 WeakPolarHBondContact O-CB 3.45Å; A235-A239 PolarHBondContact O-N 3.45Å
236S93.2Very high91.3Very high1 Ų131.3 Ų31.31%0.00718%0.179CC..Hα-helixtrans-67.2-45.5178.6-55.30000111.2L197 G232 K233 T234 Q238 A239 V240L197-S236 VanDerWaalsContact CD1-N 3.33Å; L197-S236 WeakPolarHBondContact CD1-OG 3.18Å; G232-S236 WeakPolarHBondContact O-CB 3.38Å; G232-S236 PolarHBondContact O-N 3.18Å; G232-S236 PolarHBondContact O-OG 3.37Å; K233-S236 PolarHBondContact O-N 3.49Å; T234-S236 VanDerWaalsContact C-N 3.33Å; T234-S236 PolarHBondContact O-N 2.92Å; S236-Q238 PolarHBondContact O-N 2.87Å; S236-A239 PolarHBondContact O-N 2.72Å; S236-V240 WeakPolarHBondContact O-CG2 3.27Å; S236-V240 PolarHBondContact O-N 2.89Å
237V94Very high90.9Very high1 Ų133.6 Ų33.61%0.00619%0.191CC..Hα-helixtrans-61.4-45.7175.6175.10000110.9I207 I225 K233 T234 A239 V240 L241 V323 L357 I359I207-V237 HydrophobicContact CD1-CG2 4.1Å; I225-V237 HydrophobicContact CD1-CG2 3.45Å; I225-V237 VanDerWaalsContact CD1-CG2 3.45Å; K233-V237 PolarHBondContact O-N 2.68Å; K233-V237 VanDerWaalsContact O-N 3.1Å; T234-V237 PolarHBondContact O-N 3.25Å; V237-A239 VanDerWaalsContact C-N 3.33Å; V237-A239 PolarHBondContact O-N 2.89Å; V237-V240 PolarHBondContact O-N 3.43Å; V237-L241 HydrophobicContact CG1-CD1 3.87Å; V237-L241 HydrophobicContact CG1-CG 4.44Å; V237-L241 VanDerWaalsContact O-CG 3.28Å; V237-L241 WeakPolarHBondContact O-CG 3.34Å; V237-L241 PolarHBondContact O-N 3.48Å; V237-V323 HydrophobicContact CG1-CG1 4Å; V237-V323 HydrophobicContact CG1-CG2 3.96Å; V237-L357 HydrophobicContact CG1-CD1 3.86Å; V237-I359 HydrophobicContact CB-CD1 4.26Å; V237-I359 HydrophobicContact CG2-CD1 3.9Å; V237-I359 HydrophobicContact CG2-CG1 4.42Å
238Q92.8Very high90.4Very high90 Ų9034.9 Ų34.942%0.42120%0.199SC..Hα-helixtrans-63.6-37.4177.2-73.8176.8-10.900112.6T234 A235 S236 S242T234-Q238 HydrophobicContact CG2-CG 4.46Å; T234-Q238 WeakPolarHBondContact O-CB 3.42Å; T234-Q238 VanDerWaalsContact O-CG 3.28Å; T234-Q238 WeakPolarHBondContact O-CG 3.36Å; T234-Q238 PolarHBondContact O-N 3.46Å; A235-Q238 PolarHBondContact O-N 3.45Å; S236-Q238 PolarHBondContact O-N 2.87Å; Q238-S242 VanDerWaalsContact O-CB 3.27Å; Q238-S242 WeakPolarHBondContact O-CB 3.39Å; Q238-S242 PolarHBondContact O-N 2.97Å; Q238-S242 PolarHBondContact O-OG 3.41Å
239A91.6Very high89.8Confident14 Ų1435 Ų3512%0.11621%0.211CC..Hα-helixtrans-65-43.2176.200000111.7F204 A235 S236 V237 S242 T243F204-A239 HydrophobicContact CD2-CB 4.39Å; F204-A239 HydrophobicContact CE2-CB 4.04Å; A235-A239 VanDerWaalsContact O-CB 3.26Å; A235-A239 WeakPolarHBondContact O-CB 3.45Å; A235-A239 PolarHBondContact O-N 3.45Å; S236-A239 PolarHBondContact O-N 2.72Å; V237-A239 VanDerWaalsContact C-N 3.33Å; V237-A239 PolarHBondContact O-N 2.89Å; A239-S242 PolarHBondContact O-N 2.92Å; A239-T243 WeakPolarHBondContact O-CB 3.31Å; A239-T243 PolarHBondContact O-N 2.86Å; A239-T243 PolarHBondContact O-OG1 3.33Å
240V92.5Very high89.1Confident0 Ų038.5 Ų38.50%023%0.226CC..Hα-helixtrans-60.6-51.5175.1173.20000110.2F204 I207 Y208 I211 S236 V237 S242 T243 M244F204-V240 HydrophobicContact CB-CG2 4.49Å; F204-V240 HydrophobicContact CD1-CG2 4.29Å; F204-V240 HydrophobicContact CD2-CB 4.44Å; F204-V240 HydrophobicContact CD2-CG2 3.31Å; F204-V240 HydrophobicContact CE1-CG2 4.35Å; F204-V240 HydrophobicContact CE2-CB 4.12Å; F204-V240 HydrophobicContact CE2-CG2 3.41Å; F204-V240 VanDerWaalsContact CE2-CG2 3.41Å; F204-V240 HydrophobicContact CG-CG2 3.78Å; F204-V240 HydrophobicContact CZ-CB 4.5Å; F204-V240 HydrophobicContact CZ-CG2 3.94Å; I207-V240 HydrophobicContact CB-CG2 4.13Å; I207-V240 HydrophobicContact CG2-CB 4.24Å; I207-V240 HydrophobicContact CG2-CG1 4.05Å; I207-V240 HydrophobicContact CG2-CG2 4.07Å; Y208-V240 HydrophobicContact CD2-CG1 4.2Å; I211-V240 HydrophobicContact CD1-CG1 3.93Å; S236-V240 WeakPolarHBondContact O-CG2 3.27Å; S236-V240 PolarHBondContact O-N 2.89Å; V237-V240 PolarHBondContact O-N 3.43Å; V240-S242 VanDerWaalsContact C-N 3.32Å; V240-S242 PolarHBondContact O-N 3.19Å; V240-T243 PolarHBondContact O-N 3.32Å; V240-T243 VanDerWaalsContact O-N 3.13Å; V240-M244 HydrophobicContact CG1-CG 4.33Å; V240-M244 HydrophobicContact CG1-SD 3.98Å; V240-M244 WeakPolarHBondContact O-CG 3.46Å; V240-M244 PolarHBondContact O-N 2.68Å
241L91.9Very high87.8Confident11 Ų1140.2 Ų40.26%0.05824%0.237CC..Hα-helixtrans-61.7-40.5-179.5-66170.5000112I211 V237 T243 M244 H245 F260 V262 V321 V323I211-L241 HydrophobicContact CD1-CD2 4.18Å; V237-L241 HydrophobicContact CG1-CD1 3.87Å; V237-L241 HydrophobicContact CG1-CG 4.44Å; V237-L241 VanDerWaalsContact O-CG 3.28Å; V237-L241 WeakPolarHBondContact O-CG 3.34Å; V237-L241 PolarHBondContact O-N 3.48Å; L241-T243 VanDerWaalsContact C-N 3.35Å; L241-T243 PolarHBondContact O-N 3.09Å; L241-M244 PolarHBondContact O-N 3.34Å; L241-H245 WeakPolarHBondContact O-CB 3.18Å; L241-H245 PolarHBondContact O-CD2 2.78Å; L241-H245 PolarHBondContact O-N 2.99Å; L241-F260 HydrophobicContact CD2-CE2 4.37Å; L241-V262 HydrophobicContact CD1-CG1 3.94Å; L241-V262 HydrophobicContact CD2-CG2 3.98Å; L241-V321 HydrophobicContact CD2-CG1 4Å; L241-V323 HydrophobicContact CD1-CG2 3.58Å
242S90.3Very high85.9Confident46 Ų4643.1 Ų43.132%0.32227%0.267SS..Hα-helixtrans-63.4-40.8175.6-60.50000111.9Q238 A239 V240 K246Q238-S242 VanDerWaalsContact O-CB 3.27Å; Q238-S242 WeakPolarHBondContact O-CB 3.39Å; Q238-S242 PolarHBondContact O-N 2.97Å; Q238-S242 PolarHBondContact O-OG 3.41Å; A239-S242 PolarHBondContact O-N 2.92Å; V240-S242 VanDerWaalsContact C-N 3.32Å; V240-S242 PolarHBondContact O-N 3.19Å; S242-K246 VanDerWaalsContact O-CG 3.27Å; S242-K246 WeakPolarHBondContact O-CG 3.47Å; S242-K246 PolarHBondContact O-N 3.22Å
243T88.6Confident84Confident32 Ų3250.9 Ų50.920%0.19630%0.303CS..Hα-helixtrans-67.5-44.1177.7-60.30000111G195 F204 A239 V240 L241 K246 L247G195-T243 PolarHBondContact O-OG1 3.44Å; F204-T243 HydrophobicContact CZ-CG2 4.34Å; A239-T243 WeakPolarHBondContact O-CB 3.31Å; A239-T243 PolarHBondContact O-N 2.86Å; A239-T243 PolarHBondContact O-OG1 3.33Å; V240-T243 PolarHBondContact O-N 3.32Å; V240-T243 VanDerWaalsContact O-N 3.13Å; L241-T243 VanDerWaalsContact C-N 3.35Å; L241-T243 PolarHBondContact O-N 3.09Å; T243-K246 PolarHBondContact O-N 3.46Å; T243-L247 HydrophobicContact CG2-CD1 4.39Å; T243-L247 WeakPolarHBondContact O-CG 3.39Å; T243-L247 PolarHBondContact O-N 2.84Å
244M87.7Confident82Confident0 Ų059.1 Ų59.10%034%0.342CS..Hα-helixtrans-63.5-42.2176.1-67.6-175.182.400111.9Y208 I211 L215 V240 L241 K246 L247 V248 I257 F260Y208-M244 HydrophobicContact CD2-CG 3.74Å; Y208-M244 HydrophobicContact CD2-SD 4.16Å; Y208-M244 HydrophobicContact CE2-CG 3.58Å; Y208-M244 HydrophobicContact CE2-SD 4.37Å; I211-M244 HydrophobicContact CB-CE 4.12Å; I211-M244 HydrophobicContact CB-SD 3.94Å; I211-M244 HydrophobicContact CD1-SD 4.12Å; I211-M244 HydrophobicContact CG2-CE 3.65Å; I211-M244 HydrophobicContact CG2-SD 3.71Å; L215-M244 HydrophobicContact CD1-CE 3.8Å; V240-M244 HydrophobicContact CG1-CG 4.33Å; V240-M244 HydrophobicContact CG1-SD 3.98Å; V240-M244 WeakPolarHBondContact O-CG 3.46Å; V240-M244 PolarHBondContact O-N 2.68Å; L241-M244 PolarHBondContact O-N 3.34Å; M244-K246 PolarHBondContact O-N 2.86Å; M244-L247 PolarHBondContact O-N 3.32Å; M244-V248 VanDerWaalsContact O-CG2 3.29Å; M244-V248 WeakPolarHBondContact O-CG2 3.13Å; M244-V248 PolarHBondContact O-N 2.96Å; M244-I257 HydrophobicContact CE-CD1 4.27Å; M244-I257 HydrophobicContact CE-CG2 4.25Å; M244-F260 HydrophobicContact CB-CE1 4.08Å; M244-F260 HydrophobicContact CB-CZ 3.67Å; M244-F260 HydrophobicContact CE-CE1 4.31Å
245H86.8Confident80.3Confident76 Ų7659.6 Ų59.635%0.35235%0.347SS..Hα-helixtrans-63.2-39.4174.9-84.1-59.3000113.1L241 V248 A249 F260 V262L241-H245 WeakPolarHBondContact O-CB 3.18Å; L241-H245 PolarHBondContact O-CD2 2.78Å; L241-H245 PolarHBondContact O-N 2.99Å; H245-V248 PolarHBondContact O-N 2.71Å; H245-A249 WeakPolarHBondContact O-CB 3.35Å; H245-A249 PolarHBondContact O-N 3.04Å; H245-F260 AromaticContact CE1-CE2 3.87Å; H245-F260 AromaticContact NE2-CE2 3.85Å; H245-V262 WeakPolarHBondContact NE2-CG2 3.39Å
246K85.6Confident79Confident128 Ų12865.1 Ų65.156%0.55737%0.366SS*.Hα-helixtrans-61.4-46.8173.6-74.4172.8-177.9-178.20111.2S242 T243 M244 V248 A249 D250S242-K246 VanDerWaalsContact O-CG 3.27Å; S242-K246 WeakPolarHBondContact O-CG 3.47Å; S242-K246 PolarHBondContact O-N 3.22Å; T243-K246 PolarHBondContact O-N 3.46Å; M244-K246 PolarHBondContact O-N 2.86Å; K246-V248 VanDerWaalsContact C-N 3.33Å; K246-V248 PolarHBondContact O-N 3.2Å; K246-A249 PolarHBondContact O-N 3.32Å; K246-A249 VanDerWaalsContact O-N 3.11Å; K246-D250 WeakPolarHBondContact O-CB 3.49Å; K246-D250 PolarHBondContact O-N 3.39Å
247L83.9Confident77.9Confident50 Ų5065.7 Ų65.726%0.26237%0.368SS..Hα-helixtrans-60.2-42.2177.2-70.3174000112.1Y208 T243 M244 A249 S251Y208-L247 HydrophobicContact CE2-CD1 4.21Å; Y208-L247 WeakPolarHBondContact OH-CD1 3.46Å; T243-L247 HydrophobicContact CG2-CD1 4.39Å; T243-L247 WeakPolarHBondContact O-CG 3.39Å; T243-L247 PolarHBondContact O-N 2.84Å; M244-L247 PolarHBondContact O-N 3.32Å; L247-A249 VanDerWaalsContact C-N 3.3Å; L247-A249 PolarHBondContact O-N 2.72Å; L247-S251 WeakPolarHBondContact O-CB 3.34Å; L247-S251 PolarHBondContact O-N 2.96Å; L247-S251 PolarHBondContact O-OG 3.28Å
248V82.4Confident77.1Confident28 Ų2868.1 Ų68.117%0.1738%0.384CS..Hα-helixtrans-65.4-33.1176.3172.30000112M244 H245 K246 I257 T259 F260M244-V248 VanDerWaalsContact O-CG2 3.29Å; M244-V248 WeakPolarHBondContact O-CG2 3.13Å; M244-V248 PolarHBondContact O-N 2.96Å; H245-V248 PolarHBondContact O-N 2.71Å; K246-V248 VanDerWaalsContact C-N 3.33Å; K246-V248 PolarHBondContact O-N 3.2Å; V248-I257 HydrophobicContact CG2-CB 4.18Å; V248-I257 HydrophobicContact CG2-CG2 4.1Å; V248-T259 HydrophobicContact CG1-CG2 4.03Å; V248-F260 HydrophobicContact CG2-CE1 4.12Å
249A80.5Confident76.8Confident81 Ų8167.5 Ų67.567%0.66939%0.387SS*.Hα-helixtrans-77.5-38.3178.400000113.3H245 K246 L247H245-A249 WeakPolarHBondContact O-CB 3.35Å; H245-A249 PolarHBondContact O-N 3.04Å; K246-A249 PolarHBondContact O-N 3.32Å; K246-A249 VanDerWaalsContact O-N 3.11Å; L247-A249 VanDerWaalsContact C-N 3.3Å; L247-A249 PolarHBondContact O-N 2.72Å
250D77.2Confident76.6Confident136 Ų13667.4 Ų67.473%0.72738%0.384SS*.Hα-helixtrans-76.8-30.1-179.3-67.9-21.1000111.9K246 G252K246-D250 WeakPolarHBondContact O-CB 3.49Å; K246-D250 PolarHBondContact O-N 3.39Å; D250-G252 VanDerWaalsContact C-N 3.3Å; D250-G252 PolarHBondContact O-N 3.17Å
251S63.1Low76.6Confident46 Ų4670 Ų7032%0.32240%0.396SS..  trans-81.474.3179.1-51.20000110.3L247 L253 S255L247-S251 WeakPolarHBondContact O-CB 3.34Å; L247-S251 PolarHBondContact O-N 2.96Å; L247-S251 PolarHBondContact O-OG 3.28Å; S251-L253 PolarHBondContact O-N 3.19Å; S251-L253 VanDerWaalsContact O-N 3.17Å; S251-S255 WeakPolarHBondContact CB-OG 3.12Å; S251-S255 PolarHBondContact O-OG 2.65Å
252G51.9Low76.7Confident63 Ų6371.5 Ų71.565%0.64941%0.405SS*.SBendtrans-65.3110.7169.200000110.7D250 E254D250-G252 VanDerWaalsContact C-N 3.3Å; D250-G252 PolarHBondContact O-N 3.17Å; G252-E254 PolarHBondContact O-N 2.9Å
253L51.9Low76.9Confident182 Ų18269.3 Ų69.395%0.95339%0.39SS*.SBendtrans77-26.6173.5-81.688.1000120S251S251-L253 PolarHBondContact O-N 3.19Å; S251-L253 VanDerWaalsContact O-N 3.17Å
254E51.8Low77.2Confident183 Ų18370 Ų7086%0.85539%0.389SS*.  trans-112.938.5179.8-72.6-173.4167.200114.1G252 Q256G252-E254 PolarHBondContact O-N 2.9Å; E254-Q256 PolarHBondContact O-N 3.04Å
255S56Low77.5Confident45 Ų4570 Ų7032%0.31539%0.389SS..  trans-69.7119.6-178.9-55.80000112S251 I257S251-S255 WeakPolarHBondContact CB-OG 3.12Å; S251-S255 PolarHBondContact O-OG 2.65Å; S255-I257 WeakPolarHBondContact CB-O 3.19Å; S255-I257 PolarHBondContact O-N 3.18Å; S255-I257 VanDerWaalsContact O-N 3.09Å
256Q65Low77.9Confident155 Ų15567.2 Ų67.272%0.72438%0.377SS*.SBendtrans-61.2-13165.8-65.3179.717.400112.7E254E254-Q256 PolarHBondContact O-N 3.04Å
257I71.3Confident78.2Confident12 Ų1261.3 Ų61.36%0.06235%0.353CS..SBendtrans-116.8124.8-174.4-49.7178.7000109.3L212 L215 M244 V248 S255 F260L212-I257 HydrophobicContact CD1-CD1 4.08Å; L212-I257 HydrophobicContact CD1-CG1 3.72Å; L215-I257 HydrophobicContact CD1-CG2 3.81Å; M244-I257 HydrophobicContact CE-CD1 4.27Å; M244-I257 HydrophobicContact CE-CG2 4.25Å; V248-I257 HydrophobicContact CG2-CB 4.18Å; V248-I257 HydrophobicContact CG2-CG2 4.1Å; S255-I257 WeakPolarHBondContact CB-O 3.19Å; S255-I257 PolarHBondContact O-N 3.18Å; S255-I257 VanDerWaalsContact O-N 3.09Å; I257-F260 HydrophobicContact CG2-CD1 4.29Å; I257-F260 HydrophobicContact CG2-CE1 4.14Å
258P77.3Confident78.5Confident52 Ų5265 Ų6534%0.33837%0.37SS..  trans-66.5149.9175.228-34.3000111.1L215 F260L215-P258 HydrophobicContact CB-CG 3.93Å; L215-P258 HydrophobicContact CD2-CG 4.45Å; P258-F260 WeakPolarHBondContact O-CD1 3.47Å; P258-F260 PolarHBondContact O-N 3.42Å
259T84.9Confident79Confident77 Ų7772.1 Ų72.147%0.47239%0.394SS..  trans-65.5123.7176.662.60000110.2V248 P319V248-T259 HydrophobicContact CG1-CG2 4.03Å; T259-P319 WeakPolarHBondContact O-CD 3.25Å
260F88.9Confident79.4Confident13 Ų1369.4 Ų69.46%0.05737%0.369CS..  trans-122.2156-179.163.1-88.9000111.9L215 L241 M244 H245 V248 I257 P258 V262 P319 V321L215-F260 HydrophobicContact CD1-CD1 3.6Å; L215-F260 HydrophobicContact CD1-CE1 3.97Å; L215-F260 HydrophobicContact CD1-CG 4.15Å; L215-F260 HydrophobicContact CD2-CB 4.05Å; L215-F260 HydrophobicContact CD2-CG 4.45Å; L241-F260 HydrophobicContact CD2-CE2 4.37Å; M244-F260 HydrophobicContact CB-CE1 4.08Å; M244-F260 HydrophobicContact CB-CZ 3.67Å; M244-F260 HydrophobicContact CE-CE1 4.31Å; H245-F260 AromaticContact CE1-CE2 3.87Å; H245-F260 AromaticContact NE2-CE2 3.85Å; V248-F260 HydrophobicContact CG2-CE1 4.12Å; I257-F260 HydrophobicContact CG2-CD1 4.29Å; I257-F260 HydrophobicContact CG2-CE1 4.14Å; P258-F260 WeakPolarHBondContact O-CD1 3.47Å; P258-F260 PolarHBondContact O-N 3.42Å; F260-V262 HydrophobicContact CD2-CG2 3.74Å; F260-V262 HydrophobicContact CE2-CG2 3.44Å; F260-V262 VanDerWaalsContact CE2-CG2 3.44Å; F260-P319 CarbonylContact C-O 3.56Å; F260-P319 VanDerWaalsContact CA-O 3.26Å; F260-P319 WeakPolarHBondContact CA-O 3.47Å; F260-P319 HydrophobicContact CB-CB 4.42Å; F260-P319 HydrophobicContact CB-CG 3.88Å; F260-P319 WeakPolarHBondContact CB-O 2.94Å; F260-V321 HydrophobicContact CD2-CB 4.43Å; F260-V321 HydrophobicContact CD2-CG2 3.74Å; F260-V321 HydrophobicContact CE2-CG2 4.25Å; F260-V321 HydrophobicContact CG-CG2 4.36Å
261Q91.3Very high80Confident53 Ų5368.2 Ų68.225%0.24837%0.371CS..EExtended strand (participates in β ladder)trans-99.8136.7173.5-178.9173.84.200109.7I263 Q283 P319 V320 V321Q261-I263 HydrophobicContact CG-CG1 4.47Å; Q261-Q283 PolarHBondContact NE2-O 2.83Å; Q261-P319 PolarHBondContact N-O 2.86Å; Q261-V320 HydrophobicContact CB-CG2 4.43Å; Q261-V320 CarbonylContact O-C 3.18Å; Q261-V320 WeakPolarHBondContact O-CA 3.28Å; Q261-V321 PolarHBondContact O-N 3.16Å
262V93.6Very high81.3Confident43 Ų4370.6 Ų70.626%0.26138%0.38SS..EExtended strand (participates in β ladder)trans-106133.7175.8173.70000109.7L241 H245 F260 V321L241-V262 HydrophobicContact CD1-CG1 3.94Å; L241-V262 HydrophobicContact CD2-CG2 3.98Å; H245-V262 WeakPolarHBondContact NE2-CG2 3.39Å; F260-V262 HydrophobicContact CD2-CG2 3.74Å; F260-V262 HydrophobicContact CE2-CG2 3.44Å; F260-V262 VanDerWaalsContact CE2-CG2 3.44Å; V262-V321 WeakPolarHBondContact CA-O 3.5Å; V262-V321 HydrophobicContact CG2-CB 4.4Å
263I94.9Very high83.2Confident0 Ų069.2 Ų69.20%036%0.36CS..EExtended strand (participates in β ladder)trans-123.6128.6174.9-63.1-174.3000107.6Q261 V265 Q283 L284 V320 V321 L322 V323Q261-I263 HydrophobicContact CG-CG1 4.47Å; I263-V265 HydrophobicContact CG2-CG2 4.1Å; I263-Q283 HydrophobicContact CD1-CB 4.27Å; I263-Q283 HydrophobicContact CG1-CB 4.19Å; I263-Q283 HydrophobicContact CG2-CB 3.98Å; I263-L284 HydrophobicContact CD1-CB 4.3Å; I263-L284 HydrophobicContact CD1-CD1 4.3Å; I263-L284 HydrophobicContact CD1-CD2 3.2Å; I263-L284 HydrophobicContact CD1-CG 3.28Å; I263-V320 HydrophobicContact CD1-CG1 3.81Å; I263-V320 HydrophobicContact CG1-CG1 4.1Å; I263-V321 PolarHBondContact N-O 3.27Å; I263-L322 HydrophobicContact CB-CD1 3.99Å; I263-L322 HydrophobicContact CG2-CD1 3.58Å; I263-V323 PolarHBondContact O-N 3.44Å
264Y95.4Very high85.2Confident46 Ų4666 Ų6618%0.1834%0.338CS..EExtended strand (participates in β ladder)trans-121.1120.4179.8179.3-90000109.3T234 N266 Q283 V323 D325T234-Y264 HydrophobicContact CG2-CE2 4.26Å; Y264-N266 HydrophobicContact CE1-CB 4.05Å; Y264-Q283 VanDerWaalsContact N-OE1 3.09Å; Y264-Q283 PolarHBondContact O-NE2 2.95Å; Y264-Q283 PolarHBondContact O-OE1 3.47Å; Y264-V323 HydrophobicContact CD2-CB 3.82Å; Y264-V323 HydrophobicContact CD2-CG1 3.67Å; Y264-V323 HydrophobicContact CE2-CG1 3.9Å; Y264-D325 HydrophobicContact CE2-CB 4.07Å; Y264-D325 WeakPolarHBondContact OH-CB 3.25Å; Y264-D325 PolarHBondContact OH-OD2 3.36Å
265V94.9Very high87.1Confident0 Ų061.1 Ų61.10%032%0.316CS..EExtended strand (participates in β ladder)trans-123.4136.6178.51780000108.4I263 V276 E279 I280 L322 V323 I324 D325I263-V265 HydrophobicContact CG2-CG2 4.1Å; V265-V276 HydrophobicContact CG1-CG1 4.16Å; V265-V276 HydrophobicContact CG1-CG2 4.28Å; V265-E279 HydrophobicContact CG2-CB 4.5Å; V265-E279 HydrophobicContact CG2-CG 4.14Å; V265-I280 HydrophobicContact CG2-CG1 3.72Å; V265-L322 HydrophobicContact CG2-CD1 4.2Å; V265-V323 PolarHBondContact N-O 3.03Å; V265-I324 WeakPolarHBondContact O-CA 3.46Å; V265-D325 PolarHBondContact O-N 3.3Å
266N94.6Very high89Confident19 Ų1959 Ų5910%0.10230%0.301CS..EExtended strand (participates in β ladder)trans-119.7124.7177.6177.9-34.1000110Y264 M268 R269 D325 E326Y264-N266 HydrophobicContact CE1-CB 4.05Å; N266-M268 VanDerWaalsContact C-N 3.32Å; N266-M268 PolarHBondContact O-N 3.13Å; N266-M268 WeakPolarHBondContact OD1-CB 3.47Å; N266-M268 PolarHBondContact OD1-N 3.28Å; N266-R269 HydrophobicContact CB-CG 4.02Å; N266-R269 PolarHBondContact O-N 2.84Å; N266-R269 VanDerWaalsContact O-N 3.1Å; N266-D325 HydrophobicContact CB-CB 4.3Å; N266-E326 PolarHBondContact OD1-OE2 3.32Å
267G91.3Very high90.4Very high4 Ų452.4 Ų52.44%0.04127%0.269CS..G310 helixtrans-58.7-34179.800000114.9R269 V270 D325G267-R269 VanDerWaalsContact C-N 3.32Å; G267-R269 PolarHBondContact O-N 2.75Å; G267-V270 PolarHBondContact O-N 2.77Å; G267-D325 PolarHBondContact N-O 3.35Å
268M91Very high91.5Very high126 Ų12652.6 Ų52.662%0.62127%0.271SS*.G310 helixtrans-70.7-23.2175.9-78.3-65.8-72.500113.7N266 V270 E326 L329N266-M268 VanDerWaalsContact C-N 3.32Å; N266-M268 PolarHBondContact O-N 3.13Å; N266-M268 WeakPolarHBondContact OD1-CB 3.47Å; N266-M268 PolarHBondContact OD1-N 3.28Å; M268-V270 PolarHBondContact O-N 2.91Å; M268-E326 VanDerWaalsContact CB-OE2 3.25Å; M268-E326 WeakPolarHBondContact CB-OE2 3.46Å; M268-E326 WeakPolarHBondContact CG-OE2 3.37Å; M268-L329 HydrophobicContact CB-CD1 4.14Å; M268-L329 HydrophobicContact CG-CD1 3.23Å; M268-L329 HydrophobicContact SD-CD1 3.22Å; M268-L329 WeakPolarHBondContact SD-CD1 3.47Å; M268-L329 HydrophobicContact SD-CD2 4.26Å; M268-L329 HydrophobicContact SD-CG 4.37Å
269R91.5Very high92.2Very high179 Ų17951.9 Ų51.968%0.67526%0.263SS*.G310 helixtrans-76.4-15179.5-68.1-175179.1175.1-1.5112.7N266 G267N266-R269 HydrophobicContact CB-CG 4.02Å; N266-R269 PolarHBondContact O-N 2.84Å; N266-R269 VanDerWaalsContact O-N 3.1Å; G267-R269 VanDerWaalsContact C-N 3.32Å; G267-R269 PolarHBondContact O-N 2.75Å
270V89.1Confident92.7Very high23 Ų2348.3 Ų48.314%0.13924%0.241CC..  trans-104.9123.5-172.41710000109.6G267 M268 D272 Q275 V276 E279G267-V270 PolarHBondContact O-N 2.77Å; M268-V270 PolarHBondContact O-N 2.91Å; V270-D272 WeakPolarHBondContact CG1-O 3.37Å; V270-Q275 HydrophobicContact CG1-CB 3.76Å; V270-V276 HydrophobicContact CG1-CG2 4.3Å; V270-V276 HydrophobicContact CG2-CG2 4.26Å; V270-E279 WeakPolarHBondContact CG2-OE2 3.26Å
271S89.9Confident92.9Very high112 Ų11248.8 Ų48.878%0.78324%0.243SC*.SBendtrans-74.1-42.7178.358.80000112.9
272D91.9Very high93.1Very high96 Ų9650.7 Ų50.751%0.51325%0.252SS..SBendtrans-114.7126.2177.3-73.5-39.4000109.2V270 K274 Q275V270-D272 WeakPolarHBondContact CG1-O 3.37Å; D272-K274 PolarHBondContact O-N 2.78Å; D272-Q275 HydrophobicContact CB-CG 4.1Å; D272-Q275 WeakPolarHBondContact O-CB 3.47Å; D272-Q275 WeakPolarHBondContact O-CG 3.38Å; D272-Q275 PolarHBondContact O-N 2.91Å
273P91.8Very high93Very high34 Ų3452.2 Ų52.222%0.22126%0.256CS..G310 helixtrans-61.9-19.4-170.326.6-36.7000113.5Q275 V276 L330 T332 I337P273-Q275 VanDerWaalsContact C-N 3.3Å; P273-Q275 PolarHBondContact O-N 2.88Å; P273-V276 WeakPolarHBondContact O-CB 3.36Å; P273-V276 VanDerWaalsContact O-CG2 3.27Å; P273-V276 WeakPolarHBondContact O-CG2 3.47Å; P273-V276 PolarHBondContact O-N 2.85Å; P273-L330 HydrophobicContact CB-CD2 4.02Å; P273-T332 HydrophobicContact CB-CG2 4.18Å; P273-T332 HydrophobicContact CG-CG2 3.52Å; P273-I337 VanDerWaalsContact C-CD1 3.44Å; P273-I337 HydrophobicContact CB-CD1 3.61Å; P273-I337 HydrophobicContact CG-CD1 3.99Å; P273-I337 WeakPolarHBondContact O-CD1 3.48Å
274K92.5Very high92.8Very high114 Ų11453 Ų5350%0.49626%0.26SS..G310 helixtrans-69.9-22.2174.3-65.5-175.4178.5-174.90114D272 V276 Y277 A291 I337D272-K274 PolarHBondContact O-N 2.78Å; K274-V276 PolarHBondContact O-N 2.78Å; K274-Y277 WeakPolarHBondContact O-CD2 3.35Å; K274-Y277 PolarHBondContact O-N 3.1Å; K274-A291 HydrophobicContact CB-CB 4.11Å; K274-I337 HydrophobicContact CG-CD1 4.05Å
275Q93.3Very high92.5Very high81 Ų8153.7 Ų53.738%0.37927%0.269SS..G310 helixtrans-69.1-14.3177.9-59.2-67.5-5.500112.3V270 D272 P273 Y277 V278 E279V270-Q275 HydrophobicContact CG1-CB 3.76Å; D272-Q275 HydrophobicContact CB-CG 4.1Å; D272-Q275 WeakPolarHBondContact O-CB 3.47Å; D272-Q275 WeakPolarHBondContact O-CG 3.38Å; D272-Q275 PolarHBondContact O-N 2.91Å; P273-Q275 VanDerWaalsContact C-N 3.3Å; P273-Q275 PolarHBondContact O-N 2.88Å; Q275-Y277 PolarHBondContact O-N 3.19Å; Q275-V278 WeakPolarHBondContact O-CA 3.27Å; Q275-V278 WeakPolarHBondContact O-CB 3.42Å; Q275-V278 PolarHBondContact O-N 2.79Å; Q275-E279 PolarHBondContact O-N 2.95Å
276V94Very high92.3Very high0 Ų056.5 Ų56.50%030%0.298CS..Hα-helixtrans-52.6-39.6170.8168.40000111.5V265 V270 P273 K274 V278 E279 I280 L330V265-V276 HydrophobicContact CG1-CG1 4.16Å; V265-V276 HydrophobicContact CG1-CG2 4.28Å; V270-V276 HydrophobicContact CG1-CG2 4.3Å; V270-V276 HydrophobicContact CG2-CG2 4.26Å; P273-V276 WeakPolarHBondContact O-CB 3.36Å; P273-V276 VanDerWaalsContact O-CG2 3.27Å; P273-V276 WeakPolarHBondContact O-CG2 3.47Å; P273-V276 PolarHBondContact O-N 2.85Å; K274-V276 PolarHBondContact O-N 2.78Å; V276-V278 VanDerWaalsContact C-N 3.29Å; V276-V278 PolarHBondContact O-N 2.92Å; V276-E279 PolarHBondContact O-N 3.23Å; V276-I280 HydrophobicContact CG1-CD1 3.69Å; V276-I280 HydrophobicContact CG1-CG1 4.3Å; V276-I280 VanDerWaalsContact O-CG1 3.25Å; V276-I280 WeakPolarHBondContact O-CG1 3.28Å; V276-I280 PolarHBondContact O-N 2.62Å; V276-L330 HydrophobicContact CG1-CD1 4.49Å; V276-L330 HydrophobicContact CG2-CD1 3.8Å; V276-L330 HydrophobicContact CG2-CD2 3.46Å; V276-L330 VanDerWaalsContact CG2-CD2 3.46Å; V276-L330 HydrophobicContact CG2-CG 4.28Å
277Y94.4Very high92.1Very high16 Ų1660.6 Ų60.66%0.06332%0.32CS..Hα-helixtrans-63.1-36.9176.6-61.1-49.4000112.7K274 Q275 Y281 L298 I337 S340 W344K274-Y277 WeakPolarHBondContact O-CD2 3.35Å; K274-Y277 PolarHBondContact O-N 3.1Å; Q275-Y277 PolarHBondContact O-N 3.19Å; Y277-Y281 VanDerWaalsContact O-CB 3.23Å; Y277-Y281 WeakPolarHBondContact O-CB 3.46Å; Y277-Y281 PolarHBondContact O-N 3.38Å; Y277-L298 HydrophobicContact CD1-CD1 4.03Å; Y277-L298 WeakPolarHBondContact O-CD1 3.5Å; Y277-I337 HydrophobicContact CE2-CG1 4.09Å; Y277-I337 WeakPolarHBondContact OH-CA 3.28Å; Y277-S340 WeakPolarHBondContact OH-CB 3.37Å; Y277-S340 PolarHBondContact OH-OG 2.8Å; Y277-W344 AromaticContact CD1-CH2 3.63Å; Y277-W344 HydrophobicContact CD1-CH2 3.63Å; Y277-W344 HydrophobicContact CD1-CZ2 4.26Å; Y277-W344 AromaticContact CE1-CH2 3.5Å; Y277-W344 HydrophobicContact CE1-CH2 3.5Å; Y277-W344 AromaticContact CE1-CZ2 3.85Å; Y277-W344 HydrophobicContact CE1-CZ2 3.85Å
278V94.5Very high92.1Very high17 Ų1765.5 Ų65.510%0.10335%0.349CS..Hα-helixtrans-67.6-45.9177.8-176.60000109.9Q275 V276 I280 Y281 E282 A289 A291 A294Q275-V278 WeakPolarHBondContact O-CA 3.27Å; Q275-V278 WeakPolarHBondContact O-CB 3.42Å; Q275-V278 PolarHBondContact O-N 2.79Å; V276-V278 VanDerWaalsContact C-N 3.29Å; V276-V278 PolarHBondContact O-N 2.92Å; V278-I280 PolarHBondContact O-N 2.9Å; V278-Y281 PolarHBondContact O-N 2.88Å; V278-E282 VanDerWaalsContact O-CB 3.23Å; V278-E282 WeakPolarHBondContact O-CB 3.33Å; V278-E282 PolarHBondContact O-N 3.41Å; V278-A289 WeakPolarHBondContact CG1-O 3.34Å; V278-A289 VanDerWaalsContact CG2-O 3.25Å; V278-A289 WeakPolarHBondContact CG2-O 3.41Å; V278-A291 HydrophobicContact CG2-CB 4.13Å; V278-A294 HydrophobicContact CG2-CB 4.3Å
279E93.6Very high92.1Very high37 Ų3760.6 Ų60.617%0.17333%0.328CS..Hα-helixtrans-63.4-41179.4-169.4174.3177.100112.1V265 V270 Q275 V276 Q283V265-E279 HydrophobicContact CG2-CB 4.5Å; V265-E279 HydrophobicContact CG2-CG 4.14Å; V270-E279 WeakPolarHBondContact CG2-OE2 3.26Å; Q275-E279 PolarHBondContact O-N 2.95Å; V276-E279 PolarHBondContact O-N 3.23Å; E279-Q283 WeakPolarHBondContact O-CB 3.45Å; E279-Q283 WeakPolarHBondContact O-CG 3.13Å; E279-Q283 PolarHBondContact O-N 2.99Å
280I94.3Very high92.2Very high1 Ų157 Ų571%0.00533%0.326CS..Hα-helixtrans-63.4-49.4174.6-65.2169.5000110.3V265 V276 V278 E282 Q283 L284 L298 L322 L341 W344V265-I280 HydrophobicContact CG2-CG1 3.72Å; V276-I280 HydrophobicContact CG1-CD1 3.69Å; V276-I280 HydrophobicContact CG1-CG1 4.3Å; V276-I280 VanDerWaalsContact O-CG1 3.25Å; V276-I280 WeakPolarHBondContact O-CG1 3.28Å; V276-I280 PolarHBondContact O-N 2.62Å; V278-I280 PolarHBondContact O-N 2.9Å; I280-E282 PolarHBondContact O-N 3.5Å; I280-Q283 PolarHBondContact O-N 2.83Å; I280-L284 HydrophobicContact CG2-CD1 3.76Å; I280-L284 HydrophobicContact CG2-CG 4.34Å; I280-L284 WeakPolarHBondContact O-CB 3.27Å; I280-L284 VanDerWaalsContact O-CG 3.28Å; I280-L284 WeakPolarHBondContact O-CG 3.47Å; I280-L284 PolarHBondContact O-N 2.95Å; I280-L298 HydrophobicContact CB-CD1 4.15Å; I280-L298 HydrophobicContact CG2-CD1 4.06Å; I280-L298 HydrophobicContact CG2-CD2 3.81Å; I280-L322 HydrophobicContact CD1-CD1 4.19Å; I280-L322 HydrophobicContact CD1-CD2 3.95Å; I280-L322 HydrophobicContact CG1-CD1 4.02Å; I280-L341 HydrophobicContact CD1-CD2 3.7Å; I280-W344 HydrophobicContact CD1-CZ3 4.41Å
281Y93.8Very high92.4Very high24 Ų2457 Ų579%0.09433%0.328CS..Hα-helixtrans-64.7-39.7-177.5-178-102.1000112.6Y277 V278 L284 T285 L287 A289 L297 L298Y277-Y281 VanDerWaalsContact O-CB 3.23Å; Y277-Y281 WeakPolarHBondContact O-CB 3.46Å; Y277-Y281 PolarHBondContact O-N 3.38Å; V278-Y281 PolarHBondContact O-N 2.88Å; Y281-L284 PolarHBondContact O-N 3.43Å; Y281-T285 HydrophobicContact CD2-CG2 4.15Å; Y281-T285 WeakPolarHBondContact CE1-OG1 3.23Å; Y281-T285 HydrophobicContact CE2-CG2 3.67Å; Y281-T285 PolarHBondContact O-N 3.44Å; Y281-T285 PolarHBondContact O-OG1 3.36Å; Y281-L287 VanDerWaalsContact CD1-O 3.24Å; Y281-L287 WeakPolarHBondContact CD1-O 3.24Å; Y281-L287 HydrophobicContact CE1-CB 3.9Å; Y281-L287 WeakPolarHBondContact CE1-O 3.37Å; Y281-A289 HydrophobicContact CD1-CB 3.84Å; Y281-A289 HydrophobicContact CE1-CB 3.9Å; Y281-L297 HydrophobicContact CD2-CB 4.15Å; Y281-L297 HydrophobicContact CE1-CD1 4.2Å; Y281-L297 HydrophobicContact CE2-CB 3.8Å; Y281-L297 HydrophobicContact CE2-CD1 3.84Å; Y281-L297 HydrophobicContact CE2-CG 4.41Å; Y281-L298 HydrophobicContact CD2-CD2 4.16Å; Y281-L298 HydrophobicContact CD2-CG 4.44Å
282E94.2Very high92.5Very high93 Ų9359.5 Ų59.544%0.43533%0.325SS..Hα-helixtrans-64.1-42175.9-175.3177.4-175.400111.4V278 I280 G286 L287 T288V278-E282 VanDerWaalsContact O-CB 3.23Å; V278-E282 WeakPolarHBondContact O-CB 3.33Å; V278-E282 PolarHBondContact O-N 3.41Å; I280-E282 PolarHBondContact O-N 3.5Å; E282-G286 WeakPolarHBondContact O-CA 3.4Å; E282-G286 PolarHBondContact O-N 3.48Å; E282-L287 WeakPolarHBondContact CA-O 3.33Å; E282-T288 HydrophobicContact CG-CG2 4.18Å
283Q92.5Very high92.6Very high74 Ų7457.6 Ų57.635%0.34632%0.319SS..Hα-helixtrans-72-27.5175.6-71.4-174.34100113.3Q261 I263 Y264 E279 I280Q261-Q283 PolarHBondContact NE2-O 2.83Å; I263-Q283 HydrophobicContact CD1-CB 4.27Å; I263-Q283 HydrophobicContact CG1-CB 4.19Å; I263-Q283 HydrophobicContact CG2-CB 3.98Å; Y264-Q283 VanDerWaalsContact N-OE1 3.09Å; Y264-Q283 PolarHBondContact O-NE2 2.95Å; Y264-Q283 PolarHBondContact O-OE1 3.47Å; E279-Q283 WeakPolarHBondContact O-CB 3.45Å; E279-Q283 WeakPolarHBondContact O-CG 3.13Å; E279-Q283 PolarHBondContact O-N 2.99Å; I280-Q283 PolarHBondContact O-N 2.83Å
284L90.1Very high92.7Very high18 Ų1856 Ų569%0.09431%0.308CS..Hα-helixtrans-72.8-50.9175.7-76.8167.3000112.4I263 I280 Y281 L298 F302 V320I263-L284 HydrophobicContact CD1-CB 4.3Å; I263-L284 HydrophobicContact CD1-CD1 4.3Å; I263-L284 HydrophobicContact CD1-CD2 3.2Å; I263-L284 HydrophobicContact CD1-CG 3.28Å; I280-L284 HydrophobicContact CG2-CD1 3.76Å; I280-L284 HydrophobicContact CG2-CG 4.34Å; I280-L284 WeakPolarHBondContact O-CB 3.27Å; I280-L284 VanDerWaalsContact O-CG 3.28Å; I280-L284 WeakPolarHBondContact O-CG 3.47Å; I280-L284 PolarHBondContact O-N 2.95Å; Y281-L284 PolarHBondContact O-N 3.43Å; L284-L298 HydrophobicContact CD1-CD2 3.27Å; L284-F302 HydrophobicContact CD1-CE2 4.16Å; L284-F302 HydrophobicContact CD1-CZ 3.78Å; L284-F302 HydrophobicContact CD2-CZ 4.42Å; L284-V320 HydrophobicContact CD2-CG1 4.19Å; L284-V320 HydrophobicContact CD2-CG2 3.79Å
285T89.2Confident92.6Very high59 Ų5951.9 Ų51.936%0.36229%0.294SS..Hα-helixtrans-110.9-19.5-166.363.80000113.9Y281 L287Y281-T285 HydrophobicContact CD2-CG2 4.15Å; Y281-T285 WeakPolarHBondContact CE1-OG1 3.23Å; Y281-T285 HydrophobicContact CE2-CG2 3.67Å; Y281-T285 PolarHBondContact O-N 3.44Å; Y281-T285 PolarHBondContact O-OG1 3.36Å; T285-L287 VanDerWaalsContact C-N 3.27Å; T285-L287 PolarHBondContact OG1-N 2.97Å
286G90.3Very high92.5Very high60 Ų6052.2 Ų52.262%0.61930%0.298SS*.SBendtrans79.13.6-169.300000114.4E282E282-G286 WeakPolarHBondContact O-CA 3.4Å; E282-G286 PolarHBondContact O-N 3.48Å
287L92Very high92.4Very high105 Ų10554.2 Ų54.255%0.5531%0.309SS..  trans-105.8144.5-179-60.7176.3000111.1Y281 E282 T285Y281-L287 VanDerWaalsContact CD1-O 3.24Å; Y281-L287 WeakPolarHBondContact CD1-O 3.24Å; Y281-L287 HydrophobicContact CE1-CB 3.9Å; Y281-L287 WeakPolarHBondContact CE1-O 3.37Å; E282-L287 WeakPolarHBondContact CA-O 3.33Å; T285-L287 VanDerWaalsContact C-N 3.27Å; T285-L287 PolarHBondContact OG1-N 2.97Å
288T90.9Very high92.2Very high106 Ų10653.5 Ų53.565%0.6531%0.306SS*.  trans-94.2139.4173.655.30000110.4E282E282-T288 HydrophobicContact CG-CG2 4.18Å
289A91.2Very high91.9Very high24 Ų2457.6 Ų57.620%0.19832%0.324CS..  trans-138.5161.2178.500000110.3V278 Y281 C293 A294V278-A289 WeakPolarHBondContact CG1-O 3.34Å; V278-A289 VanDerWaalsContact CG2-O 3.25Å; V278-A289 WeakPolarHBondContact CG2-O 3.41Å; Y281-A289 HydrophobicContact CD1-CB 3.84Å; Y281-A289 HydrophobicContact CE1-CB 3.9Å; A289-C293 HydrophobicContact CB-CB 4.43Å; A289-A294 HydrophobicContact CB-CB 4.19Å
290T93.9Very high91.5Very high103 Ų10362 Ų6263%0.63234%0.343SS*.  trans-69.8150.4170.760.50000110K292 C293 A294T290-K292 PolarHBondContact O-N 2.87Å; T290-K292 VanDerWaalsContact O-N 3.08Å; T290-C293 PolarHBondContact O-N 3.25Å; T290-C293 WeakPolarHBondContact OG1-CB 3.32Å; T290-A294 WeakPolarHBondContact O-CB 3.5Å; T290-A294 PolarHBondContact O-N 3.1Å
291A91.8Very high90.9Very high22 Ų2264.6 Ų64.618%0.18236%0.355CS..Hα-helixtrans-54-35.1-174.100000115K274 V278 S295K274-A291 HydrophobicContact CB-CB 4.11Å; V278-A291 HydrophobicContact CG2-CB 4.13Å; A291-S295 PolarHBondContact O-N 3.45Å; A291-S295 PolarHBondContact O-OG 3.49Å
292K93.1Very high90.3Very high165 Ų16563.8 Ų63.872%0.71735%0.352SS*.Hα-helixtrans-71.3-45.9175.4-67.4-176.1177.8-177.90112.1T290 A294 S295 D296T290-K292 PolarHBondContact O-N 2.87Å; T290-K292 VanDerWaalsContact O-N 3.08Å; K292-A294 VanDerWaalsContact C-N 3.29Å; K292-A294 PolarHBondContact O-N 3.47Å; K292-S295 PolarHBondContact O-N 3.36Å; K292-S295 PolarHBondContact O-OG 3.07Å; K292-D296 VanDerWaalsContact O-CG 3.26Å; K292-D296 PolarHBondContact O-N 3.46Å; K292-D296 VanDerWaalsContact O-N 3.15Å
293C93.6Very high89.4Confident56 Ų5660.3 Ų60.338%0.37834%0.338SS..Hα-helixtrans-63.9-41.2177.3-168.40000110.2A289 T290 S295 D296 L297A289-C293 HydrophobicContact CB-CB 4.43Å; T290-C293 PolarHBondContact O-N 3.25Å; T290-C293 WeakPolarHBondContact OG1-CB 3.32Å; C293-S295 PolarHBondContact O-N 2.96Å; C293-D296 PolarHBondContact O-N 3.41Å; C293-L297 WeakPolarHBondContact O-CB 3.44Å; C293-L297 WeakPolarHBondContact O-CG 3.23Å; C293-L297 PolarHBondContact O-N 3.07Å
294A93.2Very high88.3Confident0 Ų062.6 Ų62.60%035%0.348CS..Hα-helixtrans-59.8-44.5175.700000111.8V278 A289 T290 K292 D296 L297 L298V278-A294 HydrophobicContact CG2-CB 4.3Å; A289-A294 HydrophobicContact CB-CB 4.19Å; T290-A294 WeakPolarHBondContact O-CB 3.5Å; T290-A294 PolarHBondContact O-N 3.1Å; K292-A294 VanDerWaalsContact C-N 3.29Å; K292-A294 PolarHBondContact O-N 3.47Å; A294-D296 PolarHBondContact O-N 3.16Å; A294-L297 PolarHBondContact O-N 3.28Å; A294-L298 WeakPolarHBondContact O-CB 3.1Å; A294-L298 WeakPolarHBondContact O-CG 3.47Å; A294-L298 PolarHBondContact O-N 3.47Å
295S91.4Very high86.8Confident28 Ų2866 Ų6620%0.19637%0.367CS..Hα-helixtrans-61.4-44.7176.359.10000112.5A291 K292 C293 L297 L298 E299A291-S295 PolarHBondContact O-N 3.45Å; A291-S295 PolarHBondContact O-OG 3.49Å; K292-S295 PolarHBondContact O-N 3.36Å; K292-S295 PolarHBondContact O-OG 3.07Å; C293-S295 PolarHBondContact O-N 2.96Å; S295-L297 VanDerWaalsContact C-N 3.33Å; S295-L297 PolarHBondContact O-N 3.24Å; S295-L298 PolarHBondContact O-N 2.92Å; S295-E299 WeakPolarHBondContact O-CB 3.08Å; S295-E299 PolarHBondContact O-N 3.41Å
296D91.6Very high85.2Confident88 Ų8866.6 Ų66.647%0.47137%0.37SS..Hα-helixtrans-68.6-34.4-178.6-60.5-9.2000111.6K292 C293 A294 K300K292-D296 VanDerWaalsContact O-CG 3.26Å; K292-D296 PolarHBondContact O-N 3.46Å; K292-D296 VanDerWaalsContact O-N 3.15Å; C293-D296 PolarHBondContact O-N 3.41Å; A294-D296 PolarHBondContact O-N 3.16Å; D296-K300 VanDerWaalsContact O-CG 3.29Å; D296-K300 WeakPolarHBondContact O-CG 3.25Å; D296-K300 PolarHBondContact O-N 2.94Å; D296-K300 VanDerWaalsContact O-N 3.17Å
297L90.9Very high83.4Confident43 Ų4371.3 Ų71.323%0.22538%0.379CS..Hα-helixtrans-70.8-47.8175.1-71171.2000110.8Y281 C293 A294 S295 E299 K300 E301Y281-L297 HydrophobicContact CD2-CB 4.15Å; Y281-L297 HydrophobicContact CE1-CD1 4.2Å; Y281-L297 HydrophobicContact CE2-CB 3.8Å; Y281-L297 HydrophobicContact CE2-CD1 3.84Å; Y281-L297 HydrophobicContact CE2-CG 4.41Å; C293-L297 WeakPolarHBondContact O-CB 3.44Å; C293-L297 WeakPolarHBondContact O-CG 3.23Å; C293-L297 PolarHBondContact O-N 3.07Å; A294-L297 PolarHBondContact O-N 3.28Å; S295-L297 VanDerWaalsContact C-N 3.33Å; S295-L297 PolarHBondContact O-N 3.24Å; L297-E299 VanDerWaalsContact C-N 3.27Å; L297-E299 PolarHBondContact O-N 3.16Å; L297-K300 CarbonylContact O-C 3.43Å; L297-K300 WeakPolarHBondContact O-CA 3.43Å; L297-K300 WeakPolarHBondContact O-CB 3.39Å; L297-K300 PolarHBondContact O-N 2.6Å; L297-E301 WeakPolarHBondContact O-CG 3.38Å; L297-E301 PolarHBondContact O-N 2.84Å
298L90.3Very high81.3Confident0 Ų074.3 Ų74.30%039%0.388CS..Hα-helixtrans-59.6-38.8176-68.7172.4000111.9Y277 I280 Y281 L284 A294 S295 K300 E301 F302 W344Y277-L298 HydrophobicContact CD1-CD1 4.03Å; Y277-L298 WeakPolarHBondContact O-CD1 3.5Å; I280-L298 HydrophobicContact CB-CD1 4.15Å; I280-L298 HydrophobicContact CG2-CD1 4.06Å; I280-L298 HydrophobicContact CG2-CD2 3.81Å; Y281-L298 HydrophobicContact CD2-CD2 4.16Å; Y281-L298 HydrophobicContact CD2-CG 4.44Å; L284-L298 HydrophobicContact CD1-CD2 3.27Å; A294-L298 WeakPolarHBondContact O-CB 3.1Å; A294-L298 WeakPolarHBondContact O-CG 3.47Å; A294-L298 PolarHBondContact O-N 3.47Å; S295-L298 PolarHBondContact O-N 2.92Å; L298-K300 VanDerWaalsContact C-N 3.32Å; L298-K300 PolarHBondContact O-N 2.86Å; L298-E301 PolarHBondContact O-N 3.22Å; L298-F302 HydrophobicContact CB-CD2 4.31Å; L298-F302 HydrophobicContact CB-CE2 4.31Å; L298-F302 HydrophobicContact CD2-CE2 3.92Å; L298-F302 WeakPolarHBondContact O-CD2 3.22Å; L298-F302 PolarHBondContact O-N 3.23Å; L298-W344 HydrophobicContact CB-CH2 3.85Å; L298-W344 HydrophobicContact CB-CZ2 3.98Å; L298-W344 HydrophobicContact CB-CZ3 4.47Å; L298-W344 HydrophobicContact CD1-CH2 3.67Å; L298-W344 HydrophobicContact CD1-CZ2 4.49Å; L298-W344 HydrophobicContact CD1-CZ3 4.24Å; L298-W344 HydrophobicContact CG-CH2 4.38Å
299E87.8Confident79Confident104 Ų10479.4 Ų79.449%0.48640%0.401SS..Hα-helixtrans-63.4-38.5174.5-171.5171.7-173.300111.6S295 L297 C303S295-E299 WeakPolarHBondContact O-CB 3.08Å; S295-E299 PolarHBondContact O-N 3.41Å; L297-E299 VanDerWaalsContact C-N 3.27Å; L297-E299 PolarHBondContact O-N 3.16Å; E299-C303 HydrophobicContact CG-CB 4.31Å; E299-C303 WeakPolarHBondContact O-CA 3.13Å; E299-C303 WeakPolarHBondContact O-CB 3.29Å; E299-C303 PolarHBondContact O-N 2.78Å
300K84.9Confident77Confident130 Ų13081.9 Ų81.957%0.56541%0.413SS*.Hα-helixtrans-67-42.7172.4-70167.6-173.61750112.1D296 L297 L298 F302 H304D296-K300 VanDerWaalsContact O-CG 3.29Å; D296-K300 WeakPolarHBondContact O-CG 3.25Å; D296-K300 PolarHBondContact O-N 2.94Å; D296-K300 VanDerWaalsContact O-N 3.17Å; L297-K300 CarbonylContact O-C 3.43Å; L297-K300 WeakPolarHBondContact O-CA 3.43Å; L297-K300 WeakPolarHBondContact O-CB 3.39Å; L297-K300 PolarHBondContact O-N 2.6Å; L298-K300 VanDerWaalsContact C-N 3.32Å; L298-K300 PolarHBondContact O-N 2.86Å; K300-F302 PolarHBondContact O-N 2.76Å; K300-H304 WeakPolarHBondContact O-CB 3.41Å; K300-H304 PolarHBondContact O-N 3.16Å; K300-H304 VanDerWaalsContact O-N 3.13Å
301E81.5Confident74.6Confident54 Ų5481.6 Ų81.625%0.25241%0.413SS..Hα-helixtrans-62.9-41.3179.7-68.5-59.3150.100112.5L297 L298L297-E301 WeakPolarHBondContact O-CG 3.38Å; L297-E301 PolarHBondContact O-N 2.84Å; L298-E301 PolarHBondContact O-N 3.22Å
302F82Confident72.5Confident7 Ų789.2 Ų89.23%0.03145%0.445CS..Hα-helixtrans-94.9-32.5-175.5-64-57000114.5L284 L298 K300 W344 L354L284-F302 HydrophobicContact CD1-CE2 4.16Å; L284-F302 HydrophobicContact CD1-CZ 3.78Å; L284-F302 HydrophobicContact CD2-CZ 4.42Å; L298-F302 HydrophobicContact CB-CD2 4.31Å; L298-F302 HydrophobicContact CB-CE2 4.31Å; L298-F302 HydrophobicContact CD2-CE2 3.92Å; L298-F302 WeakPolarHBondContact O-CD2 3.22Å; L298-F302 PolarHBondContact O-N 3.23Å; K300-F302 PolarHBondContact O-N 2.76Å; F302-W344 HydrophobicContact CB-CB 4.26Å; F302-W344 HydrophobicContact CB-CG 4.46Å; F302-W344 HydrophobicContact CD2-CD2 4.06Å; F302-W344 AromaticContact CD2-CE3 3.94Å; F302-W344 HydrophobicContact CD2-CE3 3.94Å; F302-W344 HydrophobicContact CD2-CG 4.33Å; F302-W344 HydrophobicContact CD2-CZ3 4.43Å; F302-W344 HydrophobicContact CE2-CE3 4.06Å; F302-W344 HydrophobicContact CE2-CZ3 4.25Å; F302-L354 HydrophobicContact CD1-CB 4.17Å; F302-L354 HydrophobicContact CD1-CD2 4.33Å; F302-L354 HydrophobicContact CD2-CD2 4.43Å; F302-L354 HydrophobicContact CE1-CB 4.23Å; F302-L354 HydrophobicContact CE1-CD1 3.97Å; F302-L354 HydrophobicContact CE1-CD2 4.33Å; F302-L354 HydrophobicContact CE1-CG 4.4Å; F302-L354 HydrophobicContact CE2-CD2 4.41Å; F302-L354 HydrophobicContact CG-CD2 4.4Å; F302-L354 HydrophobicContact CZ-CD1 4.05Å; F302-L354 HydrophobicContact CZ-CD2 4.37Å
303C76.2Confident70.3Confident20 Ų2088.5 Ų88.514%0.13545%0.449CS..Hα-helixtrans-111.2-5.3-171.6-53.30000113.8E299 N305 R347 N349E299-C303 HydrophobicContact CG-CB 4.31Å; E299-C303 WeakPolarHBondContact O-CA 3.13Å; E299-C303 WeakPolarHBondContact O-CB 3.29Å; E299-C303 PolarHBondContact O-N 2.78Å; C303-N305 PolarHBondContact O-N 3.35Å; C303-R347 HydrophobicContact CB-CB 4.47Å; C303-N349 PolarHBondContact O-ND2 3.49Å
304H69.2Low68.2Low122 Ų12293.9 Ų93.957%0.56547%0.469SS*.  trans-73.9117.4-177.4-16254.8000111.4K300 V306K300-H304 WeakPolarHBondContact O-CB 3.41Å; K300-H304 PolarHBondContact O-N 3.16Å; K300-H304 VanDerWaalsContact O-N 3.13Å; H304-V306 PolarHBondContact O-N 3.2Å; H304-V306 VanDerWaalsContact O-N 3.17Å
305N57.8Low66.3Low91 Ų9199.6 Ų99.649%0.48750%0.498SS..  trans-69.6105165.7-91.1-38.7000108.1C303 I307 N349C303-N305 PolarHBondContact O-N 3.35Å; N305-I307 HydrophobicContact CB-CG1 4.3Å; N305-I307 PolarHBondContact O-N 3.12Å; N305-N349 PolarHBondContact N-ND2 2.9Å; N305-N349 PolarHBondContact ND2-ND2 3.39Å; N305-N349 WeakPolarHBondContact OD1-CB 3.49Å; N305-N349 PolarHBondContact OD1-ND2 3.01Å; N305-N349 PolarHBondContact OD1-OD1 3.33Å; N305-N349 VanDerWaalsContact OD1-OD1 3.07Å
306V55Low64.8Low71 Ų71102.1 Ų102.143%0.4352%0.516SS..  trans-68.488.4167.1-177.50000107.3H304 K308H304-V306 PolarHBondContact O-N 3.2Å; H304-V306 VanDerWaalsContact O-N 3.17Å; V306-K308 HydrophobicContact CG1-CB 3.81Å; V306-K308 HydrophobicContact CG1-CG 4.46Å; V306-K308 PolarHBondContact O-N 2.91Å; V306-K308 VanDerWaalsContact O-N 3.12Å
307I52.4Low64Low158 Ų158100.8 Ų100.881%0.8151%0.506SS*.  trans-66.6-3.3171.8-65.2170.3000111N305 K309N305-I307 HydrophobicContact CB-CG1 4.3Å; N305-I307 PolarHBondContact O-N 3.12Å; I307-K309 PolarHBondContact O-N 3.35Å
308K48.7Very low63.7Low169 Ų169104.6 Ų104.674%0.73552%0.521SS*.SBendtrans-74.2119.7175.5-65.1-174.7178.81790109.2V306 V310V306-K308 HydrophobicContact CG1-CB 3.81Å; V306-K308 HydrophobicContact CG1-CG 4.46Å; V306-K308 PolarHBondContact O-N 2.91Å; V306-K308 VanDerWaalsContact O-N 3.12Å; K308-V310 HydrophobicContact CB-CG2 4.07Å; K308-V310 PolarHBondContact O-N 3.18Å
309K43.4Very low63.6Low213 Ų213105 Ų10593%0.92652%0.524SS*.  trans-54.264.8164.4-64.4176175.3179.70111.5I307I307-K309 PolarHBondContact O-N 3.35Å
310V47.8Very low63.8Low75 Ų75100.1 Ų100.146%0.45550%0.501SS..  trans-89.9127.2166.7-173.30000105.4K308 H312K308-V310 HydrophobicContact CB-CG2 4.07Å; K308-V310 PolarHBondContact O-N 3.18Å; V310-H312 PolarHBondContact O-N 3.35Å
311P44.7Very low64.2Low98 Ų9894 Ų9464%0.63647%0.474SS*.  trans-53.9139.1-179.621.8-31.4000109.9D313P311-D313 PolarHBondContact O-N 2.81Å
312H47.7Very low64.9Low182 Ų18291.4 Ų91.484%0.84346%0.463SS*.THydrogen-bonded Turntrans-58.43.3-164.7-89.7-80.4000117V310V310-H312 PolarHBondContact O-N 3.35Å
313D47.2Very low65.6Low150 Ų15091.1 Ų91.180%0.80246%0.461SS*.THydrogen-bonded Turntrans-114.8-6.4-160.6-69.3-33.1000116.4P311P311-D313 PolarHBondContact O-N 2.81Å
314E49.3Very low66.5Low169 Ų16990.2 Ų90.279%0.7946%0.455SS*.SBendtrans-122-10.3-167.5-68.6-165.9159.900119
315I52.9Low67.7Low119 Ų11984.8 Ų84.861%0.6143%0.43SS*.  trans-145.855.7-179-37.4171.3000112.5E317I315-E317 PolarHBondContact O-N 3Å
316S59.8Low69.4Low82 Ų8282.9 Ų82.957%0.57342%0.418SS*.  trans-78.7114.2158.2-174.60000107.4
317E73.8Confident71.1Confident59 Ų5979.5 Ų79.528%0.27640%0.398SS..PPolyproline II helixtrans-65.1154.7172.9-70-166.6170.600110.4I315 H351 R352I315-E317 PolarHBondContact O-N 3Å; E317-H351 VanDerWaalsContact CD-CE1 3.41Å; E317-H351 PolarHBondContact N-O 2.77Å; E317-H351 VanDerWaalsContact N-O 3.12Å; E317-H351 IonicContact OE1-CE1 3.53Å; E317-H351 IonicContact OE2-CE1 3.84Å; E317-R352 HydrophobicContact CB-CB 4.37Å; E317-R352 HydrophobicContact CB-CG 4.2Å; E317-R352 WeakPolarHBondContact OE2-CD 3.06Å; E317-R352 IonicContact OE2-CZ 3.6Å; E317-R352 IonicContact OE2-NE 3.62Å; E317-R352 IonicContact OE2-NH1 2.68Å; E317-R352 PolarHBondContact OE2-NH1 3.45Å
318K84.4Confident73Confident123 Ų12373.6 Ų73.654%0.53537%0.368SS..PPolyproline II helixtrans-61.1131.9-178.9-65.9177.9-179.11750109.8R352K318-R352 PolarHBondContact O-NE 2.93Å
319P88.5Confident74.9Confident10 Ų1069.7 Ų69.77%0.06536%0.355CS..PPolyproline II helixtrans-55.3145.2173.220.8-31.9000110.7L215 T259 F260 Q261 V353L215-P319 HydrophobicContact CD2-CB 3.8Å; L215-P319 HydrophobicContact CD2-CG 3.77Å; T259-P319 WeakPolarHBondContact O-CD 3.25Å; F260-P319 CarbonylContact C-O 3.56Å; F260-P319 VanDerWaalsContact CA-O 3.26Å; F260-P319 WeakPolarHBondContact CA-O 3.47Å; F260-P319 HydrophobicContact CB-CB 4.42Å; F260-P319 HydrophobicContact CB-CG 3.88Å; F260-P319 WeakPolarHBondContact CB-O 2.94Å; Q261-P319 PolarHBondContact N-O 2.86Å; P319-V353 WeakPolarHBondContact CA-O 3.49Å; P319-V353 HydrophobicContact CB-CB 4.17Å
320V92.1Very high77.1Confident1 Ų159.6 Ų59.61%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-112.7126.2-176.7177.50000109.8Q261 I263 L284 R352 V353 L354 I355Q261-V320 HydrophobicContact CB-CG2 4.43Å; Q261-V320 CarbonylContact O-C 3.18Å; Q261-V320 WeakPolarHBondContact O-CA 3.28Å; I263-V320 HydrophobicContact CD1-CG1 3.81Å; I263-V320 HydrophobicContact CG1-CG1 4.1Å; L284-V320 HydrophobicContact CD2-CG1 4.19Å; L284-V320 HydrophobicContact CD2-CG2 3.79Å; V320-R352 HydrophobicContact CG2-CG 4.3Å; V320-R352 VanDerWaalsContact CG2-NH2 3.34Å; V320-V353 PolarHBondContact N-O 2.87Å; V320-L354 HydrophobicContact CB-CD1 4.12Å; V320-L354 HydrophobicContact CG1-CD1 3.98Å; V320-I355 PolarHBondContact O-N 2.81Å
321V94.2Very high79Confident0 Ų057.7 Ų57.70%030%0.301CS..EExtended strand (participates in β ladder)trans-101107.3168-1750000108.2I211 L241 F260 Q261 V262 I263 I355 L357I211-V321 HydrophobicContact CG2-CG2 4.24Å; L241-V321 HydrophobicContact CD2-CG1 4Å; F260-V321 HydrophobicContact CD2-CB 4.43Å; F260-V321 HydrophobicContact CD2-CG2 3.74Å; F260-V321 HydrophobicContact CE2-CG2 4.25Å; F260-V321 HydrophobicContact CG-CG2 4.36Å; Q261-V321 PolarHBondContact O-N 3.16Å; V262-V321 WeakPolarHBondContact CA-O 3.5Å; V262-V321 HydrophobicContact CG2-CB 4.4Å; I263-V321 PolarHBondContact N-O 3.27Å; V321-I355 CarbonylContact C-O 3.59Å; V321-I355 WeakPolarHBondContact CA-O 3.44Å; V321-I355 HydrophobicContact CG2-CB 4.41Å; V321-I355 HydrophobicContact CG2-CD1 4.35Å; V321-L357 HydrophobicContact CG1-CD1 4.01Å; V321-L357 HydrophobicContact CG1-CG 4.3Å
322L95.6Very high81.1Confident1 Ų154.8 Ų54.81%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-95113.9178.3175.361.4000109.9I263 V265 I280 I324 L341 L354 I355 V356 L357I263-L322 HydrophobicContact CB-CD1 3.99Å; I263-L322 HydrophobicContact CG2-CD1 3.58Å; V265-L322 HydrophobicContact CG2-CD1 4.2Å; I280-L322 HydrophobicContact CD1-CD1 4.19Å; I280-L322 HydrophobicContact CD1-CD2 3.95Å; I280-L322 HydrophobicContact CG1-CD1 4.02Å; L322-I324 HydrophobicContact CD1-CG1 4.28Å; L322-I324 HydrophobicContact CD2-CD1 3.93Å; L322-I324 HydrophobicContact CD2-CG1 4.15Å; L322-I324 HydrophobicContact CG-CD1 4.2Å; L322-I324 HydrophobicContact CG-CG1 3.85Å; L322-L341 HydrophobicContact CD2-CD2 4.12Å; L322-L354 HydrophobicContact CB-CD1 3.89Å; L322-I355 PolarHBondContact N-O 3.05Å; L322-V356 HydrophobicContact CB-CG2 4.43Å; L322-V356 HydrophobicContact CD2-CG2 4.3Å; L322-V356 CarbonylContact O-C 3.51Å; L322-V356 WeakPolarHBondContact O-CA 3.18Å; L322-L357 PolarHBondContact O-N 2.98Å
323V96.5Very high82.9Confident1 Ų158.4 Ų58.41%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-97.8122172.2-174.10000109V237 L241 I263 Y264 V265 L357 I359V237-V323 HydrophobicContact CG1-CG1 4Å; V237-V323 HydrophobicContact CG1-CG2 3.96Å; L241-V323 HydrophobicContact CD1-CG2 3.58Å; I263-V323 PolarHBondContact O-N 3.44Å; Y264-V323 HydrophobicContact CD2-CB 3.82Å; Y264-V323 HydrophobicContact CD2-CG1 3.67Å; Y264-V323 HydrophobicContact CE2-CG1 3.9Å; V265-V323 PolarHBondContact N-O 3.03Å; V323-L357 WeakPolarHBondContact CA-O 3.49Å; V323-L357 HydrophobicContact CG2-CB 4.39Å; V323-L357 HydrophobicContact CG2-CD1 4.23Å; V323-I359 HydrophobicContact CG1-CD1 3.97Å
324I95.2Very high84.8Confident0 Ų062 Ų620%029%0.289CS..EExtended strand (participates in β ladder)trans-114.1106176.6-49.3-177.6000107.6V265 L322 L327 L330 L341 V356 L357 I359V265-I324 WeakPolarHBondContact O-CA 3.46Å; L322-I324 HydrophobicContact CD1-CG1 4.28Å; L322-I324 HydrophobicContact CD2-CD1 3.93Å; L322-I324 HydrophobicContact CD2-CG1 4.15Å; L322-I324 HydrophobicContact CG-CD1 4.2Å; L322-I324 HydrophobicContact CG-CG1 3.85Å; I324-L327 HydrophobicContact CB-CD1 4.33Å; I324-L327 HydrophobicContact CG2-CD1 3.7Å; I324-L330 HydrophobicContact CG2-CD1 3.72Å; I324-L341 HydrophobicContact CD1-CB 4.44Å; I324-L341 HydrophobicContact CD1-CD1 3.79Å; I324-L341 HydrophobicContact CD1-CD2 4.04Å; I324-L341 HydrophobicContact CD1-CG 4.32Å; I324-V356 HydrophobicContact CD1-CG1 4Å; I324-V356 HydrophobicContact CG1-CG1 4.43Å; I324-L357 PolarHBondContact N-O 3.25Å; I324-I359 PolarHBondContact O-N 3.44Å
325D95.3Very high86.6Confident8 Ų855.2 Ų55.24%0.04326%0.258CS..EExtended strand (participates in β ladder)trans-88.8147.2176.9-148.2-10.1000111.4T234 Y264 V265 N266 G267 L327 I359T234-D325 WeakPolarHBondContact CB-OD2 3.13Å; T234-D325 WeakPolarHBondContact CG2-OD2 3.34Å; T234-D325 PolarHBondContact OG1-OD1 3.45Å; T234-D325 PolarHBondContact OG1-OD2 3.2Å; Y264-D325 HydrophobicContact CE2-CB 4.07Å; Y264-D325 WeakPolarHBondContact OH-CB 3.25Å; Y264-D325 PolarHBondContact OH-OD2 3.36Å; V265-D325 PolarHBondContact O-N 3.3Å; N266-D325 HydrophobicContact CB-CB 4.3Å; G267-D325 PolarHBondContact N-O 3.35Å; D325-L327 PolarHBondContact O-N 3.01Å; D325-I359 WeakPolarHBondContact OD1-CG2 3.4Å
326E92.9Very high88.3Confident51 Ų5152.5 Ų52.524%0.23825%0.245CC..SBendtrans51.251.1-178.6-61.4174.9140.400113.4N266 M268 D328 L329 I359N266-E326 PolarHBondContact OD1-OE2 3.32Å; M268-E326 VanDerWaalsContact CB-OE2 3.25Å; M268-E326 WeakPolarHBondContact CB-OE2 3.46Å; M268-E326 WeakPolarHBondContact CG-OE2 3.37Å; E326-D328 PolarHBondContact O-N 3.47Å; E326-D328 VanDerWaalsContact O-N 3.16Å; E326-L329 HydrophobicContact CB-CD1 3.75Å; E326-L329 HydrophobicContact CB-CG 4.43Å; E326-L329 WeakPolarHBondContact O-CB 3.35Å; E326-L329 PolarHBondContact O-N 2.72Å; E326-I359 PolarHBondContact N-O 3.16Å; E326-I359 VanDerWaalsContact N-O 3.08Å
327L91.9Very high89.9Confident0 Ų048.6 Ų48.60%022%0.217CC..G310 helixtrans-55.9-30.6-177.9-173.379.3000113.7Y224 I324 D325 L329 L330 L338 F342 A358 I359 A360 L365Y224-L327 HydrophobicContact CE2-CD2 4.41Å; I324-L327 HydrophobicContact CB-CD1 4.33Å; I324-L327 HydrophobicContact CG2-CD1 3.7Å; D325-L327 PolarHBondContact O-N 3.01Å; L327-L329 PolarHBondContact O-N 2.91Å; L327-L329 VanDerWaalsContact O-N 3.12Å; L327-L330 HydrophobicContact CD1-CD1 4.43Å; L327-L330 WeakPolarHBondContact O-CB 3.44Å; L327-L330 PolarHBondContact O-N 3.34Å; L327-L338 HydrophobicContact CD1-CD2 3.42Å; L327-L338 VanDerWaalsContact CD1-CD2 3.42Å; L327-L338 HydrophobicContact CD2-CD2 4.29Å; L327-L338 HydrophobicContact CG-CD2 3.8Å; L327-F342 HydrophobicContact CD1-CZ 4.27Å; L327-F342 HydrophobicContact CD2-CE2 4.26Å; L327-F342 HydrophobicContact CD2-CZ 3.7Å; L327-A358 HydrophobicContact CD2-CB 4Å; L327-I359 WeakPolarHBondContact CB-O 3.49Å; L327-I359 PolarHBondContact N-O 3.38Å; L327-A360 HydrophobicContact CB-CB 4.32Å; L327-L365 HydrophobicContact CD2-CD2 3.78Å; L327-L365 HydrophobicContact CG-CD2 4.44Å
328D90.8Very high90.7Very high35 Ų3545.8 Ų45.819%0.18720%0.204CC..G310 helixtrans-54.5-31179.316.727000112.6E326 L330 C331 N361 L365E326-D328 PolarHBondContact O-N 3.47Å; E326-D328 VanDerWaalsContact O-N 3.16Å; D328-L330 VanDerWaalsContact C-N 3.31Å; D328-C331 VanDerWaalsContact O-CB 3.29Å; D328-C331 WeakPolarHBondContact O-CB 3.04Å; D328-C331 PolarHBondContact O-N 3.17Å; D328-N361 PolarHBondContact OD2-N 3.22Å; D328-N361 VanDerWaalsContact OD2-N 3.17Å; D328-L365 HydrophobicContact CB-CD1 3.59Å
329L89.9Confident91Very high86 Ų8643 Ų4345%0.4519%0.191SC..G310 helixtrans-75.7-22.1-179.1-59.6169.8000113.1M268 E326 L327M268-L329 HydrophobicContact CB-CD1 4.14Å; M268-L329 HydrophobicContact CG-CD1 3.23Å; M268-L329 HydrophobicContact SD-CD1 3.22Å; M268-L329 WeakPolarHBondContact SD-CD1 3.47Å; M268-L329 HydrophobicContact SD-CD2 4.26Å; M268-L329 HydrophobicContact SD-CG 4.37Å; E326-L329 HydrophobicContact CB-CD1 3.75Å; E326-L329 HydrophobicContact CB-CG 4.43Å; E326-L329 WeakPolarHBondContact O-CB 3.35Å; E326-L329 PolarHBondContact O-N 2.72Å; L327-L329 PolarHBondContact O-N 2.91Å; L327-L329 VanDerWaalsContact O-N 3.12Å
330L89.4Confident91.1Very high2 Ų244.2 Ų44.21%0.0120%0.199CC..G310 helixtrans-82.9-5.1176.2-57.3-177.9000112.4P273 V276 I324 L327 D328 T332 L338P273-L330 HydrophobicContact CB-CD2 4.02Å; V276-L330 HydrophobicContact CG1-CD1 4.49Å; V276-L330 HydrophobicContact CG2-CD1 3.8Å; V276-L330 HydrophobicContact CG2-CD2 3.46Å; V276-L330 VanDerWaalsContact CG2-CD2 3.46Å; V276-L330 HydrophobicContact CG2-CG 4.28Å; I324-L330 HydrophobicContact CG2-CD1 3.72Å; L327-L330 HydrophobicContact CD1-CD1 4.43Å; L327-L330 WeakPolarHBondContact O-CB 3.44Å; L327-L330 PolarHBondContact O-N 3.34Å; D328-L330 VanDerWaalsContact C-N 3.31Å; L330-T332 PolarHBondContact O-N 3.03Å; L330-L338 HydrophobicContact CB-CD2 4.17Å
331C87.5Confident91Very high35 Ų3544.1 Ų44.124%0.23620%0.199CC..  trans-74.193.3-179.6-171.30000111.3D328 L338D328-C331 VanDerWaalsContact O-CB 3.29Å; D328-C331 WeakPolarHBondContact O-CB 3.04Å; D328-C331 PolarHBondContact O-N 3.17Å; C331-L338 HydrophobicContact CB-CD1 3.99Å
332T87.4Confident90.8Very high37 Ų3744.1 Ų44.123%0.22720%0.199CC..  trans-79.3165.117070.50000111.3P273 L330 R334 Q335 D336 I337P273-T332 HydrophobicContact CB-CG2 4.18Å; P273-T332 HydrophobicContact CG-CG2 3.52Å; L330-T332 PolarHBondContact O-N 3.03Å; T332-R334 PolarHBondContact O-N 2.7Å; T332-R334 PolarHBondContact OG1-N 2.92Å; T332-Q335 WeakPolarHBondContact O-CG 3.41Å; T332-Q335 PolarHBondContact O-N 3.48Å; T332-Q335 PolarHBondContact OG1-N 2.81Å; T332-D336 PolarHBondContact OG1-OD1 3.38Å; T332-I337 HydrophobicContact CG2-CD1 4.27Å
333R86.3Confident90.6Very high258 Ų25844.7 Ų44.797%0.97420%0.202SC*.SBendtrans-58.7-29.6172.4-68.3-175.9-179.6163.20113.2
334R86.4Confident90.2Very high224 Ų22445.2 Ų45.285%0.84520%0.204SC*.SBendtrans-89.8-22.5-179.9-70.6-173.3175.3175.2-0.9113.3T332 D336T332-R334 PolarHBondContact O-N 2.7Å; T332-R334 PolarHBondContact OG1-N 2.92Å; R334-D336 PolarHBondContact O-N 3.08Å; R334-D336 VanDerWaalsContact O-N 3.09Å
335Q87.5Confident89.9Confident28 Ų2845.5 Ų45.513%0.13121%0.206CC..  trans54.925.7178.2-53.4175.59.200114.3T332 I337 Y339 L369T332-Q335 WeakPolarHBondContact O-CG 3.41Å; T332-Q335 PolarHBondContact O-N 3.48Å; T332-Q335 PolarHBondContact OG1-N 2.81Å; Q335-I337 VanDerWaalsContact C-N 3.32Å; Q335-I337 PolarHBondContact O-N 3.25Å; Q335-Y339 WeakPolarHBondContact O-CB 3.42Å; Q335-Y339 PolarHBondContact O-N 3.44Å; Q335-L369 PolarHBondContact NE2-O 2.74Å
336D89.7Confident89.5Confident62 Ų6248.7 Ų48.733%0.33223%0.225SC..Hα-helixtrans-59.7-43.917852.2-17.8000111.3T332 R334 Y339 S340T332-D336 PolarHBondContact OG1-OD1 3.38Å; R334-D336 PolarHBondContact O-N 3.08Å; R334-D336 VanDerWaalsContact O-N 3.09Å; D336-Y339 PolarHBondContact O-N 3.49Å; D336-S340 PolarHBondContact O-N 3.43Å; D336-S340 PolarHBondContact O-OG 2.86Å
337I91.7Very high88.8Confident0 Ų052 Ų520%024%0.236CC..Hα-helixtrans-65.5-48.3-178.1-62.4156.6000111.9P273 K274 Y277 T332 Q335 Y339 S340 L341P273-I337 VanDerWaalsContact C-CD1 3.44Å; P273-I337 HydrophobicContact CB-CD1 3.61Å; P273-I337 HydrophobicContact CG-CD1 3.99Å; P273-I337 WeakPolarHBondContact O-CD1 3.48Å; K274-I337 HydrophobicContact CG-CD1 4.05Å; Y277-I337 HydrophobicContact CE2-CG1 4.09Å; Y277-I337 WeakPolarHBondContact OH-CA 3.28Å; T332-I337 HydrophobicContact CG2-CD1 4.27Å; Q335-I337 VanDerWaalsContact C-N 3.32Å; Q335-I337 PolarHBondContact O-N 3.25Å; I337-Y339 VanDerWaalsContact C-N 3.31Å; I337-Y339 PolarHBondContact O-N 3.09Å; I337-S340 PolarHBondContact O-N 3.1Å; I337-L341 HydrophobicContact CG2-CD1 3.71Å; I337-L341 HydrophobicContact CG2-CG 4.4Å; I337-L341 WeakPolarHBondContact O-CD1 3.34Å; I337-L341 VanDerWaalsContact O-CG 3.25Å; I337-L341 WeakPolarHBondContact O-CG 3.19Å; I337-L341 PolarHBondContact O-N 2.78Å
338L90.8Very high87.8Confident0 Ų055.9 Ų55.90%025%0.254CS..Hα-helixtrans-65-38179.2-62.8-178.1000111.6L327 L330 C331 F342 L370 V374L327-L338 HydrophobicContact CD1-CD2 3.42Å; L327-L338 VanDerWaalsContact CD1-CD2 3.42Å; L327-L338 HydrophobicContact CD2-CD2 4.29Å; L327-L338 HydrophobicContact CG-CD2 3.8Å; L330-L338 HydrophobicContact CB-CD2 4.17Å; C331-L338 HydrophobicContact CB-CD1 3.99Å; L338-F342 HydrophobicContact CB-CE2 4.36Å; L338-F342 WeakPolarHBondContact O-CD2 3.13Å; L338-F342 WeakPolarHBondContact O-CG 3.49Å; L338-F342 PolarHBondContact O-N 3.38Å; L338-L370 HydrophobicContact CD1-CD2 3.36Å; L338-V374 HydrophobicContact CB-CG1 4.31Å
339Y90.7Very high86.5Confident65 Ų6556.2 Ų56.226%0.25526%0.255SS..Hα-helixtrans-59.1-52.8173.7-178.8-87.4000110.8Q335 D336 I337 L341 F342 D343 V374 R377Q335-Y339 WeakPolarHBondContact O-CB 3.42Å; Q335-Y339 PolarHBondContact O-N 3.44Å; D336-Y339 PolarHBondContact O-N 3.49Å; I337-Y339 VanDerWaalsContact C-N 3.31Å; I337-Y339 PolarHBondContact O-N 3.09Å; Y339-L341 PolarHBondContact O-N 2.93Å; Y339-F342 PolarHBondContact O-N 2.71Å; Y339-D343 HydrophobicContact CD1-CB 4.47Å; Y339-D343 HydrophobicContact CE1-CB 4.24Å; Y339-D343 VanDerWaalsContact O-CB 3.22Å; Y339-D343 WeakPolarHBondContact O-CB 3.48Å; Y339-D343 PolarHBondContact O-N 3.42Å; Y339-V374 HydrophobicContact CD2-CG2 3.87Å; Y339-V374 HydrophobicContact CG-CG2 4.43Å; Y339-R377 PolarHBondContact OH-NH2 3.15Å
340S90.6Very high85.1Confident34 Ų3458.1 Ų58.124%0.23827%0.266CS..Hα-helixtrans-60.2-45.9-178.9-620000112.6Y277 D336 I337 F342 D343 W344Y277-S340 WeakPolarHBondContact OH-CB 3.37Å; Y277-S340 PolarHBondContact OH-OG 2.8Å; D336-S340 PolarHBondContact O-N 3.43Å; D336-S340 PolarHBondContact O-OG 2.86Å; I337-S340 PolarHBondContact O-N 3.1Å; S340-F342 VanDerWaalsContact C-N 3.3Å; S340-F342 PolarHBondContact O-N 2.69Å; S340-D343 PolarHBondContact O-N 2.83Å; S340-W344 PolarHBondContact O-N 2.89Å
341L91.1Very high84.2Confident0 Ų060.2 Ų60.20%028%0.276CS..Hα-helixtrans-61.4-35.9-178.9-70.8165.7000113.2I280 L322 I324 I337 Y339 W344 P345I280-L341 HydrophobicContact CD1-CD2 3.7Å; L322-L341 HydrophobicContact CD2-CD2 4.12Å; I324-L341 HydrophobicContact CD1-CB 4.44Å; I324-L341 HydrophobicContact CD1-CD1 3.79Å; I324-L341 HydrophobicContact CD1-CD2 4.04Å; I324-L341 HydrophobicContact CD1-CG 4.32Å; I337-L341 HydrophobicContact CG2-CD1 3.71Å; I337-L341 HydrophobicContact CG2-CG 4.4Å; I337-L341 WeakPolarHBondContact O-CD1 3.34Å; I337-L341 VanDerWaalsContact O-CG 3.25Å; I337-L341 WeakPolarHBondContact O-CG 3.19Å; I337-L341 PolarHBondContact O-N 2.78Å; Y339-L341 PolarHBondContact O-N 2.93Å; L341-W344 HydrophobicContact CD2-CE3 4.08Å; L341-W344 HydrophobicContact CD2-CH2 4.2Å; L341-W344 HydrophobicContact CD2-CZ3 3.55Å; L341-P345 WeakPolarHBondContact O-CD 3.31Å
342F90.4Very high83.8Confident0 Ų059.5 Ų59.50%027%0.268CS..Hα-helixtrans-90.3-15177.7-59.8-42.6000113.6C222 L327 L338 Y339 S340 V356 A358 L370 V374 R377 L378C222-F342 HydrophobicContact CB-CD1 4.3Å; L327-F342 HydrophobicContact CD1-CZ 4.27Å; L327-F342 HydrophobicContact CD2-CE2 4.26Å; L327-F342 HydrophobicContact CD2-CZ 3.7Å; L338-F342 HydrophobicContact CB-CE2 4.36Å; L338-F342 WeakPolarHBondContact O-CD2 3.13Å; L338-F342 WeakPolarHBondContact O-CG 3.49Å; L338-F342 PolarHBondContact O-N 3.38Å; Y339-F342 PolarHBondContact O-N 2.71Å; S340-F342 VanDerWaalsContact C-N 3.3Å; S340-F342 PolarHBondContact O-N 2.69Å; F342-V356 HydrophobicContact CD1-CG1 4.32Å; F342-V356 HydrophobicContact CE1-CG1 4.04Å; F342-A358 HydrophobicContact CE1-CB 4.03Å; F342-A358 HydrophobicContact CZ-CB 4.09Å; F342-L370 HydrophobicContact CE2-CD1 4.42Å; F342-V374 HydrophobicContact CD2-CG1 3.63Å; F342-V374 HydrophobicContact CE2-CG1 4.21Å; F342-R377 HydrophobicContact CB-CB 4.15Å; F342-L378 HydrophobicContact CD1-CD1 4.06Å; F342-L378 HydrophobicContact CE1-CD1 3.72Å; F342-L378 HydrophobicContact CE2-CD1 4.31Å; F342-L378 HydrophobicContact CG-CD1 4.5Å; F342-L378 HydrophobicContact CZ-CD1 3.86Å
343D89.8Confident83.8Confident13 Ų1358.1 Ų58.17%0.0726%0.259CS..Hα-helixtrans-79.4-37.7173.7-159.351.6000111Y339 S340 T346 R347 R377Y339-D343 HydrophobicContact CD1-CB 4.47Å; Y339-D343 HydrophobicContact CE1-CB 4.24Å; Y339-D343 VanDerWaalsContact O-CB 3.22Å; Y339-D343 WeakPolarHBondContact O-CB 3.48Å; Y339-D343 PolarHBondContact O-N 3.42Å; S340-D343 PolarHBondContact O-N 2.83Å; D343-T346 PolarHBondContact O-N 2.94Å; D343-T346 PolarHBondContact O-OG1 2.83Å; D343-R347 PolarHBondContact O-N 3.47Å; D343-R347 IonicContact OD1-NE 3.38Å; D343-R347 IonicContact OD1-NH2 2.81Å; D343-R347 IonicContact OD2-CZ 2.68Å; D343-R347 VanDerWaalsContact OD2-CZ 3.23Å; D343-R347 IonicContact OD2-NE 3.96Å; D343-R347 PolarHBondContact OD2-NE 3.07Å; D343-R347 IonicContact OD2-NH2 2.72Å; D343-R347 PolarHBondContact OD2-NH2 3.35Å; D343-R377 IonicContact OD1-CZ 2.73Å; D343-R377 VanDerWaalsContact OD1-CZ 3.29Å; D343-R377 IonicContact OD1-NE 3.77Å; D343-R377 PolarHBondContact OD1-NE 3.12Å; D343-R377 IonicContact OD1-NH2 3.61Å; D343-R377 PolarHBondContact OD1-NH2 3.3Å
344W89.4Confident84.1Confident12 Ų1246 Ų465%0.04521%0.214CC..G310 helixtrans-54.6-44.6-179.5-60.9-26.5000114.8Y277 I280 L298 F302 S340 L341 T346 R347 L354Y277-W344 AromaticContact CD1-CH2 3.63Å; Y277-W344 HydrophobicContact CD1-CH2 3.63Å; Y277-W344 HydrophobicContact CD1-CZ2 4.26Å; Y277-W344 AromaticContact CE1-CH2 3.5Å; Y277-W344 HydrophobicContact CE1-CH2 3.5Å; Y277-W344 AromaticContact CE1-CZ2 3.85Å; Y277-W344 HydrophobicContact CE1-CZ2 3.85Å; I280-W344 HydrophobicContact CD1-CZ3 4.41Å; L298-W344 HydrophobicContact CB-CH2 3.85Å; L298-W344 HydrophobicContact CB-CZ2 3.98Å; L298-W344 HydrophobicContact CB-CZ3 4.47Å; L298-W344 HydrophobicContact CD1-CH2 3.67Å; L298-W344 HydrophobicContact CD1-CZ2 4.49Å; L298-W344 HydrophobicContact CD1-CZ3 4.24Å; L298-W344 HydrophobicContact CG-CH2 4.38Å; F302-W344 HydrophobicContact CB-CB 4.26Å; F302-W344 HydrophobicContact CB-CG 4.46Å; F302-W344 HydrophobicContact CD2-CD2 4.06Å; F302-W344 AromaticContact CD2-CE3 3.94Å; F302-W344 HydrophobicContact CD2-CE3 3.94Å; F302-W344 HydrophobicContact CD2-CG 4.33Å; F302-W344 HydrophobicContact CD2-CZ3 4.43Å; F302-W344 HydrophobicContact CE2-CE3 4.06Å; F302-W344 HydrophobicContact CE2-CZ3 4.25Å; S340-W344 PolarHBondContact O-N 2.89Å; L341-W344 HydrophobicContact CD2-CE3 4.08Å; L341-W344 HydrophobicContact CD2-CH2 4.2Å; L341-W344 HydrophobicContact CD2-CZ3 3.55Å; W344-T346 PolarHBondContact O-N 3.29Å; W344-R347 PolarHBondContact O-N 3.32Å; W344-L354 HydrophobicContact CB-CD2 3.61Å; W344-L354 HydrophobicContact CE3-CD2 4.15Å
345P89.1Confident84.4Confident6 Ų635.3 Ų35.34%0.03917%0.174CC..G310 helixtrans-63.9-24.1177.3-23.736000113.9L341 L354 V356L341-P345 WeakPolarHBondContact O-CD 3.31Å; P345-L354 HydrophobicContact CG-CD2 3.92Å; P345-L354 HydrophobicContact CG-CG 4.15Å; P345-V356 HydrophobicContact CG-CB 4.35Å; P345-V356 HydrophobicContact CG-CG2 3.48Å; P345-V356 VanDerWaalsContact CG-CG2 3.48Å
346T85.6Confident84.8Confident74 Ų7434 Ų3445%0.45417%0.168SC..G310 helixtrans-83.5-24.8-178.768.20000112.8D343 W344 H348D343-T346 PolarHBondContact O-N 2.94Å; D343-T346 PolarHBondContact O-OG1 2.83Å; W344-T346 PolarHBondContact O-N 3.29Å; T346-H348 VanDerWaalsContact C-N 3.32Å; T346-H348 PolarHBondContact O-N 2.94Å
347R79.7Confident85Confident120 Ų12031 Ų3145%0.45315%0.152SC..SBendtrans-95.540.5-179.7-62.1-174.5-172.5-109.62.9112.4C303 D343 W344 N349C303-R347 HydrophobicContact CB-CB 4.47Å; D343-R347 PolarHBondContact O-N 3.47Å; D343-R347 IonicContact OD1-NE 3.38Å; D343-R347 IonicContact OD1-NH2 2.81Å; D343-R347 IonicContact OD2-CZ 2.68Å; D343-R347 VanDerWaalsContact OD2-CZ 3.23Å; D343-R347 IonicContact OD2-NE 3.96Å; D343-R347 PolarHBondContact OD2-NE 3.07Å; D343-R347 IonicContact OD2-NH2 2.72Å; D343-R347 PolarHBondContact OD2-NH2 3.35Å; W344-R347 PolarHBondContact O-N 3.32Å; R347-N349 PolarHBondContact O-N 3.18Å
348H70.5Confident85.2Confident83 Ų8331 Ų3138%0.38415%0.152SC..  trans-66.3125.6-176.767.573.1000110.7T346T346-H348 VanDerWaalsContact C-N 3.32Å; T346-H348 PolarHBondContact O-N 2.94Å
349N62.1Low85.4Confident41 Ų4131.1 Ų31.122%0.21915%0.152CC..  trans-121.460.6-178.6-76.3-17.4000110.7C303 N305 R347 H351C303-N349 PolarHBondContact O-ND2 3.49Å; N305-N349 PolarHBondContact N-ND2 2.9Å; N305-N349 PolarHBondContact ND2-ND2 3.39Å; N305-N349 WeakPolarHBondContact OD1-CB 3.49Å; N305-N349 PolarHBondContact OD1-ND2 3.01Å; N305-N349 PolarHBondContact OD1-OD1 3.33Å; N305-N349 VanDerWaalsContact OD1-OD1 3.07Å; R347-N349 PolarHBondContact O-N 3.18Å; N349-H351 WeakPolarHBondContact O-CB 3.48Å; N349-H351 PolarHBondContact O-N 3.29Å
350N62.1Low85.6Confident126 Ų12628 Ų2867%0.67414%0.14SC*.SBendtrans46.2-5.8175.9-68.1-2.7000118.9
351H70Confident85.6Confident47 Ų4728.9 Ų28.922%0.21814%0.142CC..SBendtrans-90.6-50.4-171.5-176.1-98.9000110.5E317 N349E317-H351 VanDerWaalsContact CD-CE1 3.41Å; E317-H351 PolarHBondContact N-O 2.77Å; E317-H351 VanDerWaalsContact N-O 3.12Å; E317-H351 IonicContact OE1-CE1 3.53Å; E317-H351 IonicContact OE2-CE1 3.84Å; N349-H351 WeakPolarHBondContact O-CB 3.48Å; N349-H351 PolarHBondContact O-N 3.29Å
352R79.5Confident85.5Confident20 Ų2030.7 Ų30.78%0.07515%0.153CC..  trans-145.2121.7-179.4-162.7173.5-160168-6.8111.2E317 K318 V320E317-R352 HydrophobicContact CB-CB 4.37Å; E317-R352 HydrophobicContact CB-CG 4.2Å; E317-R352 WeakPolarHBondContact OE2-CD 3.06Å; E317-R352 IonicContact OE2-CZ 3.6Å; E317-R352 IonicContact OE2-NE 3.62Å; E317-R352 IonicContact OE2-NH1 2.68Å; E317-R352 PolarHBondContact OE2-NH1 3.45Å; K318-R352 PolarHBondContact O-NE 2.93Å; V320-R352 HydrophobicContact CG2-CG 4.3Å; V320-R352 VanDerWaalsContact CG2-NH2 3.34Å
353V86.9Confident85.1Confident7 Ų734.1 Ų34.14%0.04217%0.17CC..  trans-86.3132.3177.4175.80000110N218 S219 P319 V320 I355N218-V353 HydrophobicContact CB-CG2 4.43Å; N218-V353 VanDerWaalsContact O-CG2 3.25Å; N218-V353 WeakPolarHBondContact O-CG2 3.37Å; N218-V353 VanDerWaalsContact OD1-CG2 3.24Å; N218-V353 WeakPolarHBondContact OD1-CG2 3.37Å; S219-V353 VanDerWaalsContact C-CG1 3.42Å; S219-V353 WeakPolarHBondContact O-CG1 3.26Å; P319-V353 WeakPolarHBondContact CA-O 3.49Å; P319-V353 HydrophobicContact CB-CB 4.17Å; V320-V353 PolarHBondContact N-O 2.87Å; V353-I355 HydrophobicContact CG1-CG1 4.42Å
354L91.7Very high84.7Confident4 Ų437.7 Ų37.72%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-113.5123.9177.6-17965.7000110.8G220 G221 F302 V320 L322 W344 P345 V356G220-L354 VanDerWaalsContact CA-O 3.24Å; G220-L354 WeakPolarHBondContact CA-O 3.37Å; G221-L354 PolarHBondContact N-O 3.3Å; F302-L354 HydrophobicContact CD1-CB 4.17Å; F302-L354 HydrophobicContact CD1-CD2 4.33Å; F302-L354 HydrophobicContact CD2-CD2 4.43Å; F302-L354 HydrophobicContact CE1-CB 4.23Å; F302-L354 HydrophobicContact CE1-CD1 3.97Å; F302-L354 HydrophobicContact CE1-CD2 4.33Å; F302-L354 HydrophobicContact CE1-CG 4.4Å; F302-L354 HydrophobicContact CE2-CD2 4.41Å; F302-L354 HydrophobicContact CG-CD2 4.4Å; F302-L354 HydrophobicContact CZ-CD1 4.05Å; F302-L354 HydrophobicContact CZ-CD2 4.37Å; V320-L354 HydrophobicContact CB-CD1 4.12Å; V320-L354 HydrophobicContact CG1-CD1 3.98Å; L322-L354 HydrophobicContact CB-CD1 3.89Å; W344-L354 HydrophobicContact CB-CD2 3.61Å; W344-L354 HydrophobicContact CE3-CD2 4.15Å; P345-L354 HydrophobicContact CG-CD2 3.92Å; P345-L354 HydrophobicContact CG-CG 4.15Å; L354-V356 HydrophobicContact CD1-CG2 4.42Å; L354-V356 HydrophobicContact CD2-CG2 4.02Å; L354-V356 HydrophobicContact CG-CG2 3.92Å
355I93.6Very high84.1Confident0 Ų037.1 Ų37.10%019%0.187CC..EExtended strand (participates in β ladder)trans-113.7120.7173.3-58.4168000107.8F210 K214 L215 G221 V320 V321 L322 V353F210-I355 HydrophobicContact CE1-CG2 3.92Å; K214-I355 HydrophobicContact CB-CD1 3.54Å; K214-I355 HydrophobicContact CB-CG1 3.96Å; L215-I355 HydrophobicContact CD2-CD1 3.77Å; L215-I355 HydrophobicContact CG-CD1 3.92Å; G221-I355 CarbonylContact O-C 3.27Å; G221-I355 WeakPolarHBondContact O-CA 3.34Å; V320-I355 PolarHBondContact O-N 2.81Å; V321-I355 CarbonylContact C-O 3.59Å; V321-I355 WeakPolarHBondContact CA-O 3.44Å; V321-I355 HydrophobicContact CG2-CB 4.41Å; V321-I355 HydrophobicContact CG2-CD1 4.35Å; L322-I355 PolarHBondContact N-O 3.05Å; V353-I355 HydrophobicContact CG1-CG1 4.42Å
356V94.9Very high83.5Confident0 Ų036.9 Ų36.90%019%0.186CC..EExtended strand (participates in β ladder)trans-107.2120.7-177-178.80000110.6G221 C222 M223 L322 I324 F342 P345 L354G221-V356 PolarHBondContact O-N 3.32Å; C222-V356 CarbonylContact C-O 3.55Å; C222-V356 WeakPolarHBondContact CA-O 3.26Å; C222-V356 HydrophobicContact CB-CB 4.17Å; M223-V356 PolarHBondContact N-O 3.42Å; L322-V356 HydrophobicContact CB-CG2 4.43Å; L322-V356 HydrophobicContact CD2-CG2 4.3Å; L322-V356 CarbonylContact O-C 3.51Å; L322-V356 WeakPolarHBondContact O-CA 3.18Å; I324-V356 HydrophobicContact CD1-CG1 4Å; I324-V356 HydrophobicContact CG1-CG1 4.43Å; F342-V356 HydrophobicContact CD1-CG1 4.32Å; F342-V356 HydrophobicContact CE1-CG1 4.04Å; P345-V356 HydrophobicContact CG-CB 4.35Å; P345-V356 HydrophobicContact CG-CG2 3.48Å; P345-V356 VanDerWaalsContact CG-CG2 3.48Å; L354-V356 HydrophobicContact CD1-CG2 4.42Å; L354-V356 HydrophobicContact CD2-CG2 4.02Å; L354-V356 HydrophobicContact CG-CG2 3.92Å
357L95.6Very high83.3Confident0 Ų039.6 Ų39.60%019%0.193CC..EExtended strand (participates in β ladder)trans-104.6105171.1-57.4-179000108.5F210 I211 M223 V237 V321 L322 V323 I324F210-L357 HydrophobicContact CD1-CD2 4.22Å; F210-L357 HydrophobicContact CE1-CD2 4.07Å; I211-L357 HydrophobicContact CD1-CD1 3.83Å; I211-L357 HydrophobicContact CG1-CD1 4.35Å; I211-L357 HydrophobicContact CG1-CD2 4.5Å; M223-L357 HydrophobicContact CB-CD2 3.86Å; M223-L357 HydrophobicContact SD-CD2 4.41Å; V237-L357 HydrophobicContact CG1-CD1 3.86Å; V321-L357 HydrophobicContact CG1-CD1 4.01Å; V321-L357 HydrophobicContact CG1-CG 4.3Å; L322-L357 PolarHBondContact O-N 2.98Å; V323-L357 WeakPolarHBondContact CA-O 3.49Å; V323-L357 HydrophobicContact CG2-CB 4.39Å; V323-L357 HydrophobicContact CG2-CD1 4.23Å; I324-L357 PolarHBondContact N-O 3.25Å
358A94.8Very high83.4Confident0 Ų041.4 Ų41.40%020%0.2CC..EExtended strand (participates in β ladder)trans-97.3114.8-178.600000110.6M223 Y224 I225 L327 F342M223-A358 PolarHBondContact O-N 3.43Å; Y224-A358 HydrophobicContact CD2-CB 4.19Å; I225-A358 PolarHBondContact N-O 3.17Å; L327-A358 HydrophobicContact CD2-CB 4Å; F342-A358 HydrophobicContact CE1-CB 4.03Å; F342-A358 HydrophobicContact CZ-CB 4.09Å
359I95.6Very high83.7Confident1 Ų140.8 Ų40.81%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-104.1128.8178-50.7172.1000109.1I225 K233 V237 V323 I324 D325 E326 L327I225-I359 HydrophobicContact CB-CG1 4.33Å; I225-I359 HydrophobicContact CD1-CG1 4.42Å; I225-I359 CarbonylContact O-C 3.55Å; I225-I359 WeakPolarHBondContact O-CA 3.46Å; K233-I359 HydrophobicContact CB-CG2 3.8Å; K233-I359 HydrophobicContact CD-CG2 4.05Å; V237-I359 HydrophobicContact CB-CD1 4.26Å; V237-I359 HydrophobicContact CG2-CD1 3.9Å; V237-I359 HydrophobicContact CG2-CG1 4.42Å; V323-I359 HydrophobicContact CG1-CD1 3.97Å; I324-I359 PolarHBondContact O-N 3.44Å; D325-I359 WeakPolarHBondContact OD1-CG2 3.4Å; E326-I359 PolarHBondContact N-O 3.16Å; E326-I359 VanDerWaalsContact N-O 3.08Å; L327-I359 WeakPolarHBondContact CB-O 3.49Å; L327-I359 PolarHBondContact N-O 3.38Å
360A94Very high84.6Confident1 Ų139.2 Ų39.21%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-138.4158.9176.600000111.7Y224 I225 G227 K233 L327Y224-A360 HydrophobicContact CE2-CB 3.74Å; Y224-A360 WeakPolarHBondContact OH-CB 3.49Å; I225-A360 PolarHBondContact O-N 2.75Å; G227-A360 PolarHBondContact N-O 3.45Å; K233-A360 VanDerWaalsContact CE-O 3.25Å; K233-A360 WeakPolarHBondContact CE-O 3.42Å; L327-A360 HydrophobicContact CB-CB 4.32Å
361N92.2Very high85.6Confident52 Ų5237.4 Ų37.428%0.27818%0.178SC..SBendtrans-88.8-17.6178-69.6-42.1000113.3G227 K233 D328G227-N361 CarbonylContact O-C 3.42Å; G227-N361 VanDerWaalsContact O-CA 3.28Å; G227-N361 WeakPolarHBondContact O-CA 3.35Å; K233-N361 PolarHBondContact NZ-OD1 3.25Å; D328-N361 PolarHBondContact OD2-N 3.22Å; D328-N361 VanDerWaalsContact OD2-N 3.17Å
362T87.4Confident86.3Confident38 Ų3839.8 Ų39.823%0.23320%0.198CC..  trans-94.8138.3179.545.20000110.4Y224 L365Y224-T362 PolarHBondContact OH-O 2.75Å; T362-L365 WeakPolarHBondContact OG1-CB 3.23Å; T362-L365 WeakPolarHBondContact OG1-CD1 3.49Å
363M82.6Confident86.6Confident72 Ų7246.1 Ų46.136%0.35522%0.221SC..SBendtrans-75.6-42177.1-57.8-54.1-65.900111.2S226 G227 L365 T384S226-M363 VanDerWaalsContact CB-SD 3.59Å; S226-M363 WeakPolarHBondContact OG-CE 3.36Å; G227-M363 WeakPolarHBondContact CA-SD 3.27Å; G227-M363 PolarHBondContact N-SD 3.47Å; G227-M363 VanDerWaalsContact N-SD 3.36Å; M363-L365 VanDerWaalsContact C-N 3.34Å; M363-L365 PolarHBondContact O-N 3.17Å; M363-T384 HydrophobicContact CE-CG2 3.29Å
364D80.6Confident86.5Confident87 Ų8746 Ų4647%0.46522%0.221SC..SBendtrans-96.317.6-170.3-40.5-50.5000112.3P366 E367 R368D364-P366 VanDerWaalsContact C-CD 3.42Å; D364-P366 VanDerWaalsContact C-N 3.3Å; D364-E367 PolarHBondContact O-N 3.27Å; D364-E367 VanDerWaalsContact O-N 3.16Å; D364-R368 HydrophobicContact CB-CB 4.32Å; D364-R368 VanDerWaalsContact O-CB 3.23Å; D364-R368 WeakPolarHBondContact O-CB 3.47Å; D364-R368 PolarHBondContact O-N 2.75Å
365L77.5Confident86.2Confident0 Ų046.7 Ų46.70%023%0.227CC..Iπ-helixtrans-50.6-48.3179.2-166102.3000111.7Y224 L327 D328 T362 M363 E367 L369 L370Y224-L365 HydrophobicContact CE2-CD2 4.3Å; Y224-L365 WeakPolarHBondContact OH-CB 3.39Å; L327-L365 HydrophobicContact CD2-CD2 3.78Å; L327-L365 HydrophobicContact CG-CD2 4.44Å; D328-L365 HydrophobicContact CB-CD1 3.59Å; T362-L365 WeakPolarHBondContact OG1-CB 3.23Å; T362-L365 WeakPolarHBondContact OG1-CD1 3.49Å; M363-L365 VanDerWaalsContact C-N 3.34Å; M363-L365 PolarHBondContact O-N 3.17Å; L365-E367 PolarHBondContact O-N 3.26Å; L365-L369 HydrophobicContact CD1-CD1 3.84Å; L365-L369 HydrophobicContact CG-CD1 4.47Å; L365-L369 PolarHBondContact O-N 2.83Å; L365-L369 VanDerWaalsContact O-N 3.08Å; L365-L370 HydrophobicContact CD2-CD1 4.36Å; L365-L370 HydrophobicContact CD2-CD2 4.4Å; L365-L370 HydrophobicContact CD2-CG 4.41Å; L365-L370 PolarHBondContact O-N 3.41Å; L365-L370 VanDerWaalsContact O-N 3.16Å
366P76.4Confident85.8Confident2 Ų251.3 Ų51.31%0.01326%0.259CS..Iπ-helixtrans-68-24.4-175-19.435.3000113.5Y224 D364 L370 A375 L378Y224-P366 HydrophobicContact CD1-CG 3.84Å; Y224-P366 HydrophobicContact CD2-CG 4.45Å; Y224-P366 HydrophobicContact CE1-CG 3.6Å; Y224-P366 HydrophobicContact CE2-CG 4.28Å; Y224-P366 HydrophobicContact CG-CG 4.25Å; D364-P366 VanDerWaalsContact C-CD 3.42Å; D364-P366 VanDerWaalsContact C-N 3.3Å; P366-L370 HydrophobicContact CB-CD1 4.25Å; P366-A375 HydrophobicContact CB-CB 4.48Å; P366-A375 VanDerWaalsContact O-CB 3.32Å; P366-A375 WeakPolarHBondContact O-CB 3.43Å; P366-L378 HydrophobicContact CB-CD2 3.95Å; P366-L378 HydrophobicContact CG-CD2 3.67Å
367E81.2Confident85.3Confident130 Ų13054.4 Ų54.461%0.60727%0.271SS*.Iπ-helixtrans-97.1-40-175.1-64179-175.600112.1D364 L365 R382D364-E367 PolarHBondContact O-N 3.27Å; D364-E367 VanDerWaalsContact O-N 3.16Å; L365-E367 PolarHBondContact O-N 3.26Å; E367-R382 IonicContact OE1-CZ 2.72Å; E367-R382 IonicContact OE1-NH1 2.76Å; E367-R382 PolarHBondContact OE1-NH1 3.45Å; E367-R382 IonicContact OE1-NH2 3.56Å
368R81.4Confident84.7Confident159 Ų15954.5 Ų54.560%0.627%0.272SS*.Iπ-helixtrans-87.9-35.7-173.8-175.3174.457121.33.3112.9D364D364-R368 HydrophobicContact CB-CB 4.32Å; D364-R368 VanDerWaalsContact O-CB 3.23Å; D364-R368 WeakPolarHBondContact O-CB 3.47Å; D364-R368 PolarHBondContact O-N 2.75Å
369L76.9Confident83.8Confident69 Ų6955.9 Ų55.936%0.36129%0.285SS..Iπ-helixtrans-111.1-38.9-172-62.1-179.9000112.2Q335 L365Q335-L369 PolarHBondContact NE2-O 2.74Å; L365-L369 HydrophobicContact CD1-CD1 3.84Å; L365-L369 HydrophobicContact CG-CD1 4.47Å; L365-L369 PolarHBondContact O-N 2.83Å; L365-L369 VanDerWaalsContact O-N 3.08Å
370L80.7Confident82.9Confident9 Ų963.8 Ų63.85%0.04733%0.327CS..SBendtrans-78.7140.6-175.7-55.6-173.9000112.7L338 F342 L365 P366 V374L338-L370 HydrophobicContact CD1-CD2 3.36Å; F342-L370 HydrophobicContact CE2-CD1 4.42Å; L365-L370 HydrophobicContact CD2-CD1 4.36Å; L365-L370 HydrophobicContact CD2-CD2 4.4Å; L365-L370 HydrophobicContact CD2-CG 4.41Å; L365-L370 PolarHBondContact O-N 3.41Å; L365-L370 VanDerWaalsContact O-N 3.16Å; P366-L370 HydrophobicContact CB-CD1 4.25Å; L370-V374 HydrophobicContact CB-CB 4.35Å; L370-V374 HydrophobicContact CD1-CG1 4.02Å
371H84.5Confident82.5Confident88 Ų8866.6 Ų66.641%0.40734%0.344SS..  trans-60139.5169.5-172.3-76.4000109.5R373 V374 A375H371-R373 PolarHBondContact CE1-NE 3.3Å; H371-R373 VanDerWaalsContact CE1-NE 3.3Å; H371-R373 PolarHBondContact ND1-N 3.36Å; H371-R373 PolarHBondContact O-N 3.3Å; H371-V374 HydrophobicContact CB-CG2 4.42Å; H371-V374 WeakPolarHBondContact O-CA 3.33Å; H371-V374 WeakPolarHBondContact O-CB 3.18Å; H371-V374 PolarHBondContact O-N 2.83Å; H371-A375 PolarHBondContact O-N 3.16Å
372P84.4Confident82.4Confident97 Ų9768.6 Ų68.663%0.6335%0.348SS*.Hα-helixtrans-51.3-35.7-175.3-3134.8000114.9V374 A375 S376P372-V374 VanDerWaalsContact C-N 3.3Å; P372-V374 PolarHBondContact O-N 2.66Å; P372-A375 PolarHBondContact O-N 3.08Å; P372-S376 WeakPolarHBondContact O-CB 3.25Å; P372-S376 PolarHBondContact O-N 3.45Å
373R86.1Confident82.7Confident153 Ų15367.7 Ų67.758%0.57734%0.341SS*.Hα-helixtrans-57.6-35.1173.3-68.4-173.3-66.5169-2.9114.8H371 R377H371-R373 PolarHBondContact CE1-NE 3.3Å; H371-R373 VanDerWaalsContact CE1-NE 3.3Å; H371-R373 PolarHBondContact ND1-N 3.36Å; H371-R373 PolarHBondContact O-N 3.3Å; R373-R377 PolarHBondContact O-NH1 3.48Å
374V84.3Confident83.2Confident4 Ų468.2 Ų68.22%0.02435%0.349CS..Hα-helixtrans-80.4-45.4178.1-176.70000109.2L338 Y339 F342 L370 H371 P372 S376 R377 L378L338-V374 HydrophobicContact CB-CG1 4.31Å; Y339-V374 HydrophobicContact CD2-CG2 3.87Å; Y339-V374 HydrophobicContact CG-CG2 4.43Å; F342-V374 HydrophobicContact CD2-CG1 3.63Å; F342-V374 HydrophobicContact CE2-CG1 4.21Å; L370-V374 HydrophobicContact CB-CB 4.35Å; L370-V374 HydrophobicContact CD1-CG1 4.02Å; H371-V374 HydrophobicContact CB-CG2 4.42Å; H371-V374 WeakPolarHBondContact O-CA 3.33Å; H371-V374 WeakPolarHBondContact O-CB 3.18Å; H371-V374 PolarHBondContact O-N 2.83Å; P372-V374 VanDerWaalsContact C-N 3.3Å; P372-V374 PolarHBondContact O-N 2.66Å; V374-S376 VanDerWaalsContact C-N 3.28Å; V374-S376 PolarHBondContact O-N 3.46Å; V374-R377 WeakPolarHBondContact O-CB 3.42Å; V374-R377 PolarHBondContact O-N 3.19Å; V374-L378 PolarHBondContact O-N 3.48Å
375A85.5Confident83.9Confident18 Ų1864.2 Ų64.215%0.14933%0.327CS..Hα-helixtrans-58.5-39.2177.200000112.5P366 H371 P372 R377 L378 G379P366-A375 HydrophobicContact CB-CB 4.48Å; P366-A375 VanDerWaalsContact O-CB 3.32Å; P366-A375 WeakPolarHBondContact O-CB 3.43Å; H371-A375 PolarHBondContact O-N 3.16Å; P372-A375 PolarHBondContact O-N 3.08Å; A375-R377 VanDerWaalsContact C-N 3.27Å; A375-R377 PolarHBondContact O-N 3.5Å; A375-L378 WeakPolarHBondContact O-CB 2.84Å; A375-L378 PolarHBondContact O-N 3.43Å; A375-G379 PolarHBondContact O-N 3.03Å
376S85.9Confident84.6Confident98 Ų9866.9 Ų66.969%0.68535%0.349SS*.Hα-helixtrans-63.3-29.8176.2-176.70000113.3P372 V374P372-S376 WeakPolarHBondContact O-CB 3.25Å; P372-S376 PolarHBondContact O-N 3.45Å; V374-S376 VanDerWaalsContact C-N 3.28Å; V374-S376 PolarHBondContact O-N 3.46Å
377R83.8Confident85.4Confident65 Ų6570 Ų7025%0.24537%0.37CS..Hα-helixtrans-79-34.8177.8-73.4171.5165.969.74.4112.6C222 Y339 F342 D343 R373 V374 A375 G379C222-R377 PolarHBondContact SG-O 2.99Å; Y339-R377 PolarHBondContact OH-NH2 3.15Å; F342-R377 HydrophobicContact CB-CB 4.15Å; D343-R377 IonicContact OD1-CZ 2.73Å; D343-R377 VanDerWaalsContact OD1-CZ 3.29Å; D343-R377 IonicContact OD1-NE 3.77Å; D343-R377 PolarHBondContact OD1-NE 3.12Å; D343-R377 IonicContact OD1-NH2 3.61Å; D343-R377 PolarHBondContact OD1-NH2 3.3Å; R373-R377 PolarHBondContact O-NH1 3.48Å; V374-R377 WeakPolarHBondContact O-CB 3.42Å; V374-R377 PolarHBondContact O-N 3.19Å; A375-R377 VanDerWaalsContact C-N 3.27Å; A375-R377 PolarHBondContact O-N 3.5Å; R377-G379 PolarHBondContact O-N 3.43Å
378L82.5Confident86Confident2 Ų264.4 Ų64.41%0.0134%0.343CS..Hα-helixtrans-59.9-24.3173-16860.3000111.8C222 Y224 F342 P366 V374 A375C222-L378 HydrophobicContact CB-CD1 4.08Å; C222-L378 VanDerWaalsContact SG-C 3.54Å; C222-L378 WeakPolarHBondContact SG-CA 3.4Å; C222-L378 PolarHBondContact SG-O 2.8Å; Y224-L378 HydrophobicContact CD2-CD2 3.95Å; Y224-L378 HydrophobicContact CG-CD2 3.85Å; F342-L378 HydrophobicContact CD1-CD1 4.06Å; F342-L378 HydrophobicContact CE1-CD1 3.72Å; F342-L378 HydrophobicContact CE2-CD1 4.31Å; F342-L378 HydrophobicContact CG-CD1 4.5Å; F342-L378 HydrophobicContact CZ-CD1 3.86Å; P366-L378 HydrophobicContact CB-CD2 3.95Å; P366-L378 HydrophobicContact CG-CD2 3.67Å; V374-L378 PolarHBondContact O-N 3.48Å; A375-L378 WeakPolarHBondContact O-CB 2.84Å; A375-L378 PolarHBondContact O-N 3.43Å
379G75.7Confident86.6Confident28 Ų2859 Ų5929%0.28933%0.329SS..  trans71.8-160.3177.600000112.9A375 R377A375-G379 PolarHBondContact O-N 3.03Å; R377-G379 PolarHBondContact O-N 3.43Å
380L76.9Confident87.4Confident168 Ų16859.3 Ų59.388%0.8833%0.329SS*.SBendtrans-98.7-1.6-178.4-60.7174.2000112.8R382L380-R382 VanDerWaalsContact C-N 3.28Å; L380-R382 PolarHBondContact O-N 3.47Å
381T86.9Confident88Confident59 Ų5964.8 Ų64.836%0.36235%0.354SS..  trans-77.176.9-17837.70000110.9F210 C222 Y224F210-T381 HydrophobicContact CE2-CG2 4.1Å; C222-T381 PolarHBondContact O-OG1 3.33Å; Y224-T381 PolarHBondContact N-O 3.06Å
382R89.9Confident88.4Confident95 Ų9563.1 Ų63.136%0.35835%0.347SS..EExtended strand (participates in β ladder)trans-111.7130.2-179.7-57.2-177.2-174.9176.32110.5Y224 E367 L380Y224-R382 HydrophobicContact CD1-CG 4.3Å; Y224-R382 CarbonylContact O-C 3.54Å; Y224-R382 WeakPolarHBondContact O-CA 3.36Å; E367-R382 IonicContact OE1-CZ 2.72Å; E367-R382 IonicContact OE1-NH1 2.76Å; E367-R382 PolarHBondContact OE1-NH1 3.45Å; E367-R382 IonicContact OE1-NH2 3.56Å; L380-R382 VanDerWaalsContact C-N 3.28Å; L380-R382 PolarHBondContact O-N 3.47Å
383L93.7Very high88.8Confident18 Ų1858.5 Ų58.59%0.09432%0.317CS..EExtended strand (participates in β ladder)trans-116.8122.9174.1-175.167.3000109.4E203 N206 I207 Y224 I225 S226 F385E203-L383 HydrophobicContact CB-CD2 4.24Å; E203-L383 HydrophobicContact CG-CD1 4.32Å; N206-L383 HydrophobicContact CB-CD1 4.2Å; I207-L383 HydrophobicContact CD1-CD2 3.72Å; I207-L383 HydrophobicContact CG1-CD2 3.44Å; I207-L383 VanDerWaalsContact CG1-CD2 3.44Å; Y224-L383 PolarHBondContact O-N 3.48Å; I225-L383 WeakPolarHBondContact CA-O 3.47Å; I225-L383 HydrophobicContact CG1-CB 4.41Å; S226-L383 PolarHBondContact N-O 2.87Å; S226-L383 PolarHBondContact OG-O 2.98Å; L383-F385 HydrophobicContact CD2-CE2 3.76Å; L383-F385 HydrophobicContact CD2-CZ 4.4Å; L383-F385 HydrophobicContact CG-CD2 4.48Å; L383-F385 HydrophobicContact CG-CE2 4.08Å
384T93.3Very high89Confident84 Ų8451.4 Ų51.452%0.51529%0.291SS..EExtended strand (participates in β ladder)trans-108.9116.2-174.6570000110.7M363 A386M363-T384 HydrophobicContact CE-CG2 3.29Å; T384-A386 PolarHBondContact O-N 3.39Å
385F94Very high89.2Confident3 Ų356.1 Ų56.11%0.01331%0.312CS..EExtended strand (participates in β ladder)trans-85.4101173.6-78.5-110.2000109.6R200 E203 I207 I225 S226 G227 K233 L383R200-F385 HydrophobicContact CG-CE1 4.31Å; E203-F385 HydrophobicContact CB-CE1 4.06Å; E203-F385 HydrophobicContact CB-CE2 4.3Å; E203-F385 HydrophobicContact CB-CZ 3.76Å; E203-F385 HydrophobicContact CG-CE1 4.23Å; E203-F385 HydrophobicContact CG-CE2 4.41Å; E203-F385 HydrophobicContact CG-CZ 4.16Å; I207-F385 HydrophobicContact CD1-CZ 4.23Å; I225-F385 HydrophobicContact CG2-CD2 3.57Å; I225-F385 HydrophobicContact CG2-CE2 3.34Å; I225-F385 HydrophobicContact CG2-CZ 4.4Å; S226-F385 WeakPolarHBondContact O-CB 3.4Å; S226-F385 PolarHBondContact O-N 3.17Å; G227-F385 WeakPolarHBondContact CA-O 3.23Å; K233-F385 HydrophobicContact CD-CB 4.49Å; K233-F385 HydrophobicContact CG-CB 4.02Å; K233-F385 HydrophobicContact CG-CD1 4.14Å; K233-F385 HydrophobicContact CG-CD2 3.98Å; K233-F385 HydrophobicContact CG-CG 3.78Å; L383-F385 HydrophobicContact CD2-CE2 3.76Å; L383-F385 HydrophobicContact CD2-CZ 4.4Å; L383-F385 HydrophobicContact CG-CD2 4.48Å; L383-F385 HydrophobicContact CG-CE2 4.08Å
386A92.6Very high89.4Confident56 Ų5655.5 Ų55.546%0.46331%0.307SS..PPolyproline II helixtrans-60.7155.7172.200000111.5R200 T384R200-A386 PolarHBondContact NH1-O 3.48Å; R200-A386 PolarHBondContact NH2-O 3.16Å; T384-A386 PolarHBondContact O-N 3.39Å
387P93.5Very high89.4Confident68 Ų6851 Ų5144%0.44228%0.275SS..PPolyproline II helixtrans-59.1149.1168.725.8-33.7000111.2I228I228-P387 HydrophobicContact CD1-CB 4.46Å
388Y94.2Very high89.6Confident11 Ų1153.5 Ų53.54%0.04328%0.284CS..PPolyproline II helixtrans-69.9139.5-179.4-75.7-77.4000112.2R200 T231 Q392 L393 I396 G425 V427R200-Y388 HydrophobicContact CG-CE1 3.9Å; R200-Y388 VanDerWaalsContact CG-OH 3.26Å; R200-Y388 WeakPolarHBondContact CG-OH 3.34Å; R200-Y388 VanDerWaalsContact NE-CE1 3.3Å; R200-Y388 PolarHBondContact NE-OH 3.3Å; T231-Y388 VanDerWaalsContact C-CE2 3.4Å; T231-Y388 WeakPolarHBondContact O-CE2 3.47Å; T231-Y388 VanDerWaalsContact O-CZ 3.23Å; T231-Y388 PolarHBondContact O-OH 3.17Å; Y388-Q392 HydrophobicContact CD1-CB 3.8Å; Y388-Q392 HydrophobicContact CD1-CG 4.5Å; Y388-L393 HydrophobicContact CD2-CD2 4.2Å; Y388-L393 HydrophobicContact CG-CD2 4.05Å; Y388-I396 HydrophobicContact CD1-CD1 3.65Å; Y388-I396 HydrophobicContact CE1-CD1 3.41Å; Y388-I396 VanDerWaalsContact CE1-CD1 3.41Å; Y388-I396 HydrophobicContact CE2-CD1 4.3Å; Y388-I396 HydrophobicContact CG-CD1 4.18Å; Y388-G425 PolarHBondContact N-O 3.43Å; Y388-V427 HydrophobicContact CD2-CG2 3.37Å; Y388-V427 HydrophobicContact CE2-CG2 3.21Å; Y388-V427 HydrophobicContact CG-CG2 4.22Å
389S93.4Very high89.6Confident46 Ų4656.1 Ų56.132%0.32230%0.296SS..PPolyproline II helixtrans-69.7161.2170.681.60000111.3E391 Q392 L393S389-E391 PolarHBondContact O-N 3.31Å; S389-E391 PolarHBondContact OG-N 3.23Å; S389-Q392 PolarHBondContact O-N 2.78Å; S389-Q392 WeakPolarHBondContact OG-CG 3.24Å; S389-Q392 PolarHBondContact OG-N 2.98Å; S389-Q392 VanDerWaalsContact OG-N 3.15Å; S389-L393 WeakPolarHBondContact O-CG 3.47Å; S389-L393 PolarHBondContact O-N 3.39Å
390H93Very high89.8Confident75 Ų7556.7 Ų56.735%0.34729%0.291SS..Hα-helixtrans-60.7-33.5176.668.1-84.9000112.3A394 R418 A421H390-A394 WeakPolarHBondContact O-CB 3.33Å; H390-A394 PolarHBondContact O-N 2.95Å; H390-R418 HydrophobicContact CB-CB 4.46Å; H390-A421 HydrophobicContact CB-CB 3.84Å
391E93.2Very high89.9Confident124 Ų12449.3 Ų49.358%0.57925%0.253SS*.Hα-helixtrans-68.7-47.1176.1-60.3-176.1172.300111.4S389 L393 A394 Q395S389-E391 PolarHBondContact O-N 3.31Å; S389-E391 PolarHBondContact OG-N 3.23Å; E391-L393 PolarHBondContact O-N 3.04Å; E391-A394 PolarHBondContact O-N 2.96Å; E391-Q395 WeakPolarHBondContact O-CG 3.45Å; E391-Q395 PolarHBondContact O-N 3.32Å
392Q92.9Very high89.2Confident54 Ų5449.8 Ų49.825%0.25226%0.258SS..Hα-helixtrans-61.5-45.7177.1-70.4170.6-24.900111G199 Y388 S389 A394 Q395 I396G199-Q392 PolarHBondContact O-NE2 2.79Å; Y388-Q392 HydrophobicContact CD1-CB 3.8Å; Y388-Q392 HydrophobicContact CD1-CG 4.5Å; S389-Q392 PolarHBondContact O-N 2.78Å; S389-Q392 WeakPolarHBondContact OG-CG 3.24Å; S389-Q392 PolarHBondContact OG-N 2.98Å; S389-Q392 VanDerWaalsContact OG-N 3.15Å; Q392-A394 VanDerWaalsContact C-N 3.35Å; Q392-A394 PolarHBondContact O-N 2.91Å; Q392-Q395 PolarHBondContact O-N 3.1Å; Q392-I396 WeakPolarHBondContact O-CB 3.18Å; Q392-I396 WeakPolarHBondContact O-CD1 3.37Å; Q392-I396 WeakPolarHBondContact O-CG1 3.38Å; Q392-I396 PolarHBondContact O-N 3.03Å
393L92.5Very high88.1Confident0 Ų050.8 Ų50.80%028%0.28CS..Hα-helixtrans-60.3-43.9175.7-74.2-178.2000111.8Y388 S389 E391 Q395 I396 V397 A417 V420 A421 V427 A430Y388-L393 HydrophobicContact CD2-CD2 4.2Å; Y388-L393 HydrophobicContact CG-CD2 4.05Å; S389-L393 WeakPolarHBondContact O-CG 3.47Å; S389-L393 PolarHBondContact O-N 3.39Å; E391-L393 PolarHBondContact O-N 3.04Å; L393-Q395 VanDerWaalsContact C-N 3.33Å; L393-Q395 PolarHBondContact O-N 3.33Å; L393-I396 PolarHBondContact O-N 2.83Å; L393-V397 WeakPolarHBondContact O-CB 3.38Å; L393-V397 VanDerWaalsContact O-CG2 3.27Å; L393-V397 WeakPolarHBondContact O-CG2 3.38Å; L393-V397 PolarHBondContact O-N 2.89Å; L393-A417 HydrophobicContact CB-CB 4.01Å; L393-V420 HydrophobicContact CD1-CB 4.2Å; L393-V420 HydrophobicContact CD1-CG1 3.99Å; L393-A421 HydrophobicContact CD1-CB 4.08Å; L393-V427 HydrophobicContact CD2-CB 4.44Å; L393-V427 HydrophobicContact CD2-CG2 3.72Å; L393-A430 HydrophobicContact CD2-CB 4.49Å
394A90.9Very high86.9Confident4 Ų451.4 Ų51.43%0.03328%0.283CS..Hα-helixtrans-61.8-42.4177.400000111.4H390 E391 Q392 R398 A417H390-A394 WeakPolarHBondContact O-CB 3.33Å; H390-A394 PolarHBondContact O-N 2.95Å; E391-A394 PolarHBondContact O-N 2.96Å; Q392-A394 VanDerWaalsContact C-N 3.35Å; Q392-A394 PolarHBondContact O-N 2.91Å; A394-R398 WeakPolarHBondContact O-CB 3.3Å; A394-R398 WeakPolarHBondContact O-CG 3.36Å; A394-R398 PolarHBondContact O-N 2.78Å; A394-A417 HydrophobicContact CB-CB 3.98Å
395Q88.9Confident85.5Confident102 Ų10250.4 Ų50.448%0.47728%0.28SS..Hα-helixtrans-63-47.5175.7-73.3173.9-22.400112.2E391 Q392 L393 V397 R398 H399E391-Q395 WeakPolarHBondContact O-CG 3.45Å; E391-Q395 PolarHBondContact O-N 3.32Å; Q392-Q395 PolarHBondContact O-N 3.1Å; L393-Q395 VanDerWaalsContact C-N 3.33Å; L393-Q395 PolarHBondContact O-N 3.33Å; Q395-V397 PolarHBondContact O-N 3.47Å; Q395-R398 PolarHBondContact O-N 3.07Å; Q395-H399 WeakPolarHBondContact O-CB 3.48Å; Q395-H399 PolarHBondContact O-N 3.42Å
396I88.6Confident84.3Confident6 Ų657.4 Ų57.43%0.03132%0.317CS..Hα-helixtrans-58.2-50.7178.5-69.8161.3000110P198 Y388 Q392 L393 R398 H399 H400 V427P198-I396 HydrophobicContact CB-CG1 4.45Å; P198-I396 HydrophobicContact CG-CG1 4.03Å; P198-I396 WeakPolarHBondContact O-CG1 3.32Å; Y388-I396 HydrophobicContact CD1-CD1 3.65Å; Y388-I396 HydrophobicContact CE1-CD1 3.41Å; Y388-I396 VanDerWaalsContact CE1-CD1 3.41Å; Y388-I396 HydrophobicContact CE2-CD1 4.3Å; Y388-I396 HydrophobicContact CG-CD1 4.18Å; Q392-I396 WeakPolarHBondContact O-CB 3.18Å; Q392-I396 WeakPolarHBondContact O-CD1 3.37Å; Q392-I396 WeakPolarHBondContact O-CG1 3.38Å; Q392-I396 PolarHBondContact O-N 3.03Å; L393-I396 PolarHBondContact O-N 2.83Å; I396-R398 PolarHBondContact O-N 2.91Å; I396-H399 WeakPolarHBondContact O-CB 3.46Å; I396-H399 PolarHBondContact O-N 2.93Å; I396-H400 PolarHBondContact O-CD2 2.77Å; I396-H400 PolarHBondContact O-N 3.29Å; I396-V427 HydrophobicContact CD1-CG2 3.97Å; I396-V427 HydrophobicContact CG2-CG1 3.78Å; I396-V427 HydrophobicContact CG2-CG2 4.4Å
397V87.5Confident83.6Confident2 Ų257.7 Ų57.71%0.01231%0.31CS..Hα-helixtrans-67.2-38.4-178.4179.60000111.2L393 Q395 H399 H400 L401 L413 A430 L431L393-V397 WeakPolarHBondContact O-CB 3.38Å; L393-V397 VanDerWaalsContact O-CG2 3.27Å; L393-V397 WeakPolarHBondContact O-CG2 3.38Å; L393-V397 PolarHBondContact O-N 2.89Å; Q395-V397 PolarHBondContact O-N 3.47Å; V397-H399 VanDerWaalsContact C-N 3.31Å; V397-H399 PolarHBondContact O-N 3.27Å; V397-H400 PolarHBondContact O-N 3.04Å; V397-L401 HydrophobicContact CG1-CD1 3.47Å; V397-L401 VanDerWaalsContact CG1-CD1 3.47Å; V397-L401 HydrophobicContact CG1-CG 4.02Å; V397-L401 VanDerWaalsContact O-CB 3.24Å; V397-L401 WeakPolarHBondContact O-CB 3.5Å; V397-L401 VanDerWaalsContact O-CG 3.23Å; V397-L401 WeakPolarHBondContact O-CG 3.43Å; V397-L401 PolarHBondContact O-N 3.42Å; V397-L413 HydrophobicContact CB-CD1 3.79Å; V397-L413 HydrophobicContact CG1-CD1 3.28Å; V397-L413 HydrophobicContact CG1-CD2 4.31Å; V397-L413 HydrophobicContact CG1-CG 4.42Å; V397-A430 HydrophobicContact CG2-CB 4.05Å; V397-L431 HydrophobicContact CG1-CD2 4.42Å; V397-L431 HydrophobicContact CG2-CD2 4.14Å
398R86.6Confident83Confident118 Ų11855.6 Ų55.645%0.44529%0.294SS..Hα-helixtrans-59.3-42.5172-76.4175.3-167.5143.32.7112A394 Q395 I396 L401 S402 L413A394-R398 WeakPolarHBondContact O-CB 3.3Å; A394-R398 WeakPolarHBondContact O-CG 3.36Å; A394-R398 PolarHBondContact O-N 2.78Å; Q395-R398 PolarHBondContact O-N 3.07Å; I396-R398 PolarHBondContact O-N 2.91Å; R398-L401 CarbonylContact O-C 3.5Å; R398-L401 PolarHBondContact O-N 3.5Å; R398-S402 PolarHBondContact O-N 3.32Å; R398-L413 HydrophobicContact CB-CD2 4.43Å; R398-L413 HydrophobicContact CG-CD2 3.39Å
399H84.1Confident82.7Confident58 Ų5858 Ų5827%0.26931%0.305SS..Hα-helixtrans-65-46.9179.6-176.4-81.2000111.4S192 Y194 P198 Q395 I396 V397 L401 S402S192-H399 PolarHBondContact OG-CE1 2.84Å; S192-H399 PolarHBondContact OG-NE2 3.22Å; S192-H399 VanDerWaalsContact OG-NE2 3.09Å; Y194-H399 AromaticContact CD2-NE2 3.83Å; P198-H399 HydrophobicContact CG-CB 4.46Å; Q395-H399 WeakPolarHBondContact O-CB 3.48Å; Q395-H399 PolarHBondContact O-N 3.42Å; I396-H399 WeakPolarHBondContact O-CB 3.46Å; I396-H399 PolarHBondContact O-N 2.93Å; V397-H399 VanDerWaalsContact C-N 3.31Å; V397-H399 PolarHBondContact O-N 3.27Å; H399-L401 VanDerWaalsContact C-N 3.32Å; H399-L401 PolarHBondContact O-N 3.41Å; H399-S402 VanDerWaalsContact O-CB 3.31Å; H399-S402 WeakPolarHBondContact O-CB 3.27Å; H399-S402 PolarHBondContact O-N 3.29Å; H399-S402 PolarHBondContact O-OG 2.84Å
400H79.8Confident82.4Confident39 Ų3960.1 Ų60.118%0.18132%0.318CS..Hα-helixtrans-64.7-35.4176.3-81.5-71.2000113L187 I396 V397 S402 L431L187-H400 HydrophobicContact CD2-CB 4.12Å; I396-H400 PolarHBondContact O-CD2 2.77Å; I396-H400 PolarHBondContact O-N 3.29Å; V397-H400 PolarHBondContact O-N 3.04Å; H400-S402 VanDerWaalsContact C-N 3.32Å; H400-L431 HydrophobicContact CB-CD2 4.16Å
401L78.1Confident82.3Confident14 Ų1464 Ų647%0.07333%0.334CS..THydrogen-bonded Turntrans-90.111.7177.3-62.1176.9000112.6V397 R398 H399 S403 L404 S405 F408V397-L401 HydrophobicContact CG1-CD1 3.47Å; V397-L401 VanDerWaalsContact CG1-CD1 3.47Å; V397-L401 HydrophobicContact CG1-CG 4.02Å; V397-L401 VanDerWaalsContact O-CB 3.24Å; V397-L401 WeakPolarHBondContact O-CB 3.5Å; V397-L401 VanDerWaalsContact O-CG 3.23Å; V397-L401 WeakPolarHBondContact O-CG 3.43Å; V397-L401 PolarHBondContact O-N 3.42Å; R398-L401 CarbonylContact O-C 3.5Å; R398-L401 PolarHBondContact O-N 3.5Å; H399-L401 VanDerWaalsContact C-N 3.32Å; H399-L401 PolarHBondContact O-N 3.41Å; L401-S403 PolarHBondContact O-N 3.41Å; L401-S403 VanDerWaalsContact O-N 3.16Å; L401-L404 HydrophobicContact CD2-CB 4.48Å; L401-L404 HydrophobicContact CD2-CD1 4.22Å; L401-L404 CarbonylContact O-C 3.53Å; L401-L404 WeakPolarHBondContact O-CA 3.47Å; L401-L404 PolarHBondContact O-N 3.44Å; L401-S405 WeakPolarHBondContact O-CA 3.46Å; L401-S405 PolarHBondContact O-N 2.9Å; L401-F408 HydrophobicContact CD1-CD1 4.4Å; L401-F408 HydrophobicContact CD1-CD2 3.81Å; L401-F408 HydrophobicContact CD1-CE1 4.3Å; L401-F408 HydrophobicContact CD1-CE2 3.7Å; L401-F408 HydrophobicContact CD1-CG 4.16Å; L401-F408 HydrophobicContact CD1-CZ 3.94Å; L401-F408 HydrophobicContact CD2-CE2 4Å; L401-F408 HydrophobicContact CD2-CZ 4.46Å; L401-F408 HydrophobicContact CG-CE2 4.43Å
402S71.8Confident82.2Confident68 Ų6858 Ų5848%0.47631%0.306SS..G310 helixtrans-54.5-39.7-178.254.30000111.9R398 H399 H400 L404 S405R398-S402 PolarHBondContact O-N 3.32Å; H399-S402 VanDerWaalsContact O-CB 3.31Å; H399-S402 WeakPolarHBondContact O-CB 3.27Å; H399-S402 PolarHBondContact O-N 3.29Å; H399-S402 PolarHBondContact O-OG 2.84Å; H400-S402 VanDerWaalsContact C-N 3.32Å; S402-L404 VanDerWaalsContact C-N 3.25Å; S402-L404 PolarHBondContact O-N 2.89Å; S402-S405 WeakPolarHBondContact O-CB 3.43Å; S402-S405 PolarHBondContact O-N 3.3Å; S402-S405 PolarHBondContact O-OG 3.4Å
403S67.4Low82.1Confident116 Ų11655.9 Ų55.981%0.81130%0.296SS*.G310 helixtrans-67.1-20.7173.9-46.60000114.5L401L401-S403 PolarHBondContact O-N 3.41Å; L401-S403 VanDerWaalsContact O-N 3.16Å
404L69.1Low82Confident31 Ų3159.4 Ų59.416%0.16231%0.313CS..G310 helixtrans-118.113.7-177.6-60.7175.3000112.4F184 L185 L401 S402 N406 M407F184-L404 HydrophobicContact CD1-CD2 4.22Å; F184-L404 HydrophobicContact CE1-CD2 4.04Å; L185-L404 HydrophobicContact CD2-CD1 3.95Å; L401-L404 HydrophobicContact CD2-CB 4.48Å; L401-L404 HydrophobicContact CD2-CD1 4.22Å; L401-L404 CarbonylContact O-C 3.53Å; L401-L404 WeakPolarHBondContact O-CA 3.47Å; L401-L404 PolarHBondContact O-N 3.44Å; S402-L404 VanDerWaalsContact C-N 3.25Å; S402-L404 PolarHBondContact O-N 2.89Å; L404-N406 PolarHBondContact O-N 2.86Å; L404-N406 VanDerWaalsContact O-N 3.12Å; L404-M407 HydrophobicContact CD2-SD 4.12Å; L404-M407 WeakPolarHBondContact O-CB 3.36Å; L404-M407 PolarHBondContact O-N 3.49Å
405S62.6Low82.1Confident63 Ų6361.1 Ų61.144%0.44132%0.321SS..G310 helixtrans-59.8-32.7-167.147.40000112.3L401 S402 M407 F408L401-S405 WeakPolarHBondContact O-CA 3.46Å; L401-S405 PolarHBondContact O-N 2.9Å; S402-S405 WeakPolarHBondContact O-CB 3.43Å; S402-S405 PolarHBondContact O-N 3.3Å; S402-S405 PolarHBondContact O-OG 3.4Å; S405-M407 PolarHBondContact O-N 3.26Å; S405-F408 PolarHBondContact O-N 2.98Å
406N68.3Low82.2Confident150 Ų15056.4 Ų56.480%0.80230%0.299SS*.G310 helixtrans-68.4-12.8177.8-61.2-14.8000114.2L404L404-N406 PolarHBondContact O-N 2.86Å; L404-N406 VanDerWaalsContact O-N 3.12Å
407M78.3Confident82.4Confident63 Ų6356.2 Ų56.231%0.3130%0.299SS..G310 helixtrans-90.9-16.2179.8-62.6-175.16800113.1L404 S405 E450 I451L404-M407 HydrophobicContact CD2-SD 4.12Å; L404-M407 WeakPolarHBondContact O-CB 3.36Å; L404-M407 PolarHBondContact O-N 3.49Å; S405-M407 PolarHBondContact O-N 3.26Å; M407-E450 CarbonylContact O-C 3.59Å; M407-E450 WeakPolarHBondContact O-CA 3.47Å; M407-I451 WeakPolarHBondContact O-CB 3.27Å; M407-I451 PolarHBondContact O-N 3Å
408F82.5Confident82.8Confident24 Ų2462.4 Ų62.411%0.10532%0.322CS..BIsolated β-bridgetrans-112.8127.9-173.8-75.5-94.9000111.6L401 S405 C434 A438 I451L401-F408 HydrophobicContact CD1-CD1 4.4Å; L401-F408 HydrophobicContact CD1-CD2 3.81Å; L401-F408 HydrophobicContact CD1-CE1 4.3Å; L401-F408 HydrophobicContact CD1-CE2 3.7Å; L401-F408 HydrophobicContact CD1-CG 4.16Å; L401-F408 HydrophobicContact CD1-CZ 3.94Å; L401-F408 HydrophobicContact CD2-CE2 4Å; L401-F408 HydrophobicContact CD2-CZ 4.46Å; L401-F408 HydrophobicContact CG-CE2 4.43Å; S405-F408 PolarHBondContact O-N 2.98Å; F408-C434 HydrophobicContact CE1-CB 4.08Å; F408-C434 HydrophobicContact CZ-CB 4.19Å; F408-A438 HydrophobicContact CZ-CB 4.46Å; F408-I451 HydrophobicContact CD1-CB 3.84Å; F408-I451 HydrophobicContact CD1-CD1 3.66Å; F408-I451 HydrophobicContact CD1-CG1 4.35Å; F408-I451 HydrophobicContact CD1-CG2 3.83Å; F408-I451 HydrophobicContact CD2-CD1 3.9Å; F408-I451 HydrophobicContact CE1-CB 4.12Å; F408-I451 HydrophobicContact CE1-CD1 3.25Å; F408-I451 HydrophobicContact CE1-CG1 4.25Å; F408-I451 HydrophobicContact CE1-CG2 3.89Å; F408-I451 HydrophobicContact CE2-CD1 3.49Å; F408-I451 VanDerWaalsContact CE2-CD1 3.49Å; F408-I451 HydrophobicContact CG-CB 4.34Å; F408-I451 HydrophobicContact CG-CD1 3.99Å; F408-I451 HydrophobicContact CZ-CD1 3.16Å
409Q87.2Confident83Confident60 Ų6060.9 Ų60.928%0.2832%0.319SS..  trans-68.6134.3169.2-67.7-173.4-1.200110.3K411 A412 L413 I451 D452Q409-K411 VanDerWaalsContact C-N 3.29Å; Q409-K411 PolarHBondContact O-N 3.17Å; Q409-A412 HydrophobicContact CB-CB 4.07Å; Q409-A412 WeakPolarHBondContact O-CB 3.09Å; Q409-A412 PolarHBondContact O-N 3.3Å; Q409-L413 PolarHBondContact O-N 3.17Å; Q409-L413 VanDerWaalsContact O-N 3.16Å; Q409-I451 PolarHBondContact N-O 3.04Å; Q409-D452 PolarHBondContact OE1-OD1 3.47Å
410P87.5Confident83.5Confident92 Ų9258.2 Ų58.260%0.59731%0.307SS*.Hα-helixtrans-62.6-36.1-174.623.1-33.3000112.6A412 L413 E414P410-A412 VanDerWaalsContact C-N 3.34Å; P410-L413 PolarHBondContact O-N 3.39Å; P410-E414 PolarHBondContact O-N 3.44Å
411K90.3Very high84.1Confident155 Ų15557.8 Ų57.867%0.67431%0.31SS*.Hα-helixtrans-64.4-37.9175.8-67.4-176.1178.2-179.90112.3Q409 E414 L415 I453Q409-K411 VanDerWaalsContact C-N 3.29Å; Q409-K411 PolarHBondContact O-N 3.17Å; K411-E414 PolarHBondContact O-N 2.78Å; K411-L415 PolarHBondContact O-N 3.49Å; K411-L415 VanDerWaalsContact O-N 3.1Å; K411-I453 HydrophobicContact CB-CD1 4.31Å
412A90.5Very high84.8Confident0 Ų061.3 Ų61.30%034%0.341CS..Hα-helixtrans-65.9-45.2178.900000109.9Q409 P410 E414 L415 A416 I453 I456Q409-A412 HydrophobicContact CB-CB 4.07Å; Q409-A412 WeakPolarHBondContact O-CB 3.09Å; Q409-A412 PolarHBondContact O-N 3.3Å; P410-A412 VanDerWaalsContact C-N 3.34Å; A412-E414 PolarHBondContact O-N 3.28Å; A412-L415 PolarHBondContact O-N 3.39Å; A412-A416 PolarHBondContact O-N 3.22Å; A412-I453 HydrophobicContact CB-CG1 3.89Å; A412-I456 HydrophobicContact CB-CD1 3.41Å; A412-I456 VanDerWaalsContact CB-CD1 3.41Å; A412-I456 HydrophobicContact CB-CG1 4.38Å; A412-I456 WeakPolarHBondContact O-CD1 3.35Å
413L90.5Very high85.7Confident8 Ų862.3 Ų62.34%0.04234%0.344CS..Hα-helixtrans-62.1-42.6177.1178.858000113V397 R398 Q409 P410 L415 A416 A417V397-L413 HydrophobicContact CB-CD1 3.79Å; V397-L413 HydrophobicContact CG1-CD1 3.28Å; V397-L413 HydrophobicContact CG1-CD2 4.31Å; V397-L413 HydrophobicContact CG1-CG 4.42Å; R398-L413 HydrophobicContact CB-CD2 4.43Å; R398-L413 HydrophobicContact CG-CD2 3.39Å; Q409-L413 PolarHBondContact O-N 3.17Å; Q409-L413 VanDerWaalsContact O-N 3.16Å; P410-L413 PolarHBondContact O-N 3.39Å; L413-L415 VanDerWaalsContact C-N 3.31Å; L413-L415 PolarHBondContact O-N 3.09Å; L413-A416 PolarHBondContact O-N 3.44Å; L413-A417 PolarHBondContact O-N 2.98Å
414E92.2Very high86.6Confident74 Ų7458.3 Ų58.335%0.34632%0.316SS..Hα-helixtrans-61.5-40.4176.4-169.7-172.4148.600111.9P410 K411 A412 A417 R418P410-E414 PolarHBondContact O-N 3.44Å; K411-E414 PolarHBondContact O-N 2.78Å; A412-E414 PolarHBondContact O-N 3.28Å; E414-A417 PolarHBondContact O-N 3.08Å; E414-R418 WeakPolarHBondContact O-CB 3.29Å; E414-R418 PolarHBondContact O-N 3.44Å; E414-R418 IonicContact OE1-CZ 3.29Å; E414-R418 IonicContact OE1-NH1 3.16Å; E414-R418 IonicContact OE1-NH2 3.83Å; E414-R418 PolarHBondContact OE1-NH2 2.76Å
415L92.1Very high87.5Confident41 Ų4156.9 Ų56.922%0.21531%0.308CS..Hα-helixtrans-63.4-41.5175.4-179.2149.4000111.9K411 A412 L413 K419 I453 I456 L460K411-L415 PolarHBondContact O-N 3.49Å; K411-L415 VanDerWaalsContact O-N 3.1Å; A412-L415 PolarHBondContact O-N 3.39Å; L413-L415 VanDerWaalsContact C-N 3.31Å; L413-L415 PolarHBondContact O-N 3.09Å; L415-K419 HydrophobicContact CD2-CD 3.8Å; L415-K419 HydrophobicContact CG-CD 4.43Å; L415-K419 WeakPolarHBondContact O-CB 3.45Å; L415-K419 WeakPolarHBondContact O-CG 3.22Å; L415-K419 PolarHBondContact O-N 3.33Å; L415-I453 HydrophobicContact CD1-CG2 3.77Å; L415-I456 HydrophobicContact CD2-CG2 3.92Å; L415-L460 HydrophobicContact CD2-CD1 4.07Å
416A91.5Very high88.9Confident2 Ų254.7 Ų54.72%0.01729%0.292CS..Hα-helixtrans-61.3-49.1174.800000111.1A412 L413 R418 K419 V420 I433 I456A412-A416 PolarHBondContact O-N 3.22Å; L413-A416 PolarHBondContact O-N 3.44Å; A416-R418 PolarHBondContact O-N 3.25Å; A416-K419 PolarHBondContact O-N 2.97Å; A416-V420 VanDerWaalsContact O-CG2 3.31Å; A416-V420 WeakPolarHBondContact O-CG2 3.48Å; A416-V420 PolarHBondContact O-N 3Å; A416-I433 HydrophobicContact CB-CG2 4.38Å; A416-I456 HydrophobicContact CB-CD1 4.26Å; A416-I456 HydrophobicContact CB-CG2 3.89Å
417A93.4Very high90Very high3 Ų348.5 Ų48.53%0.02526%0.26CS..Hα-helixtrans-60.9-44.7179.300000112.2L393 A394 L413 E414 K419 V420 A421L393-A417 HydrophobicContact CB-CB 4.01Å; A394-A417 HydrophobicContact CB-CB 3.98Å; L413-A417 PolarHBondContact O-N 2.98Å; E414-A417 PolarHBondContact O-N 3.08Å; A417-K419 PolarHBondContact O-N 3.34Å; A417-V420 PolarHBondContact O-N 3.08Å; A417-A421 VanDerWaalsContact O-CB 3.27Å; A417-A421 WeakPolarHBondContact O-CB 3.42Å; A417-A421 PolarHBondContact O-N 3Å
418R94.2Very high90.7Very high131 Ų13153.2 Ų53.249%0.49427%0.274SS..Hα-helixtrans-61.7-44178.1-173.4178.1-70141.56.4112.1H390 E414 A416 A422H390-R418 HydrophobicContact CB-CB 4.46Å; E414-R418 WeakPolarHBondContact O-CB 3.29Å; E414-R418 PolarHBondContact O-N 3.44Å; E414-R418 IonicContact OE1-CZ 3.29Å; E414-R418 IonicContact OE1-NH1 3.16Å; E414-R418 IonicContact OE1-NH2 3.83Å; E414-R418 PolarHBondContact OE1-NH2 2.76Å; A416-R418 PolarHBondContact O-N 3.25Å; R418-A422 WeakPolarHBondContact O-CB 3.39Å; R418-A422 PolarHBondContact O-N 3.46Å; R418-A422 VanDerWaalsContact O-N 3.09Å
419K92.6Very high91.1Very high86 Ų8657.2 Ų57.237%0.37429%0.288SS..Hα-helixtrans-67.5-39.7178.6-75.1-177.6174.8-1750112.5L415 A416 A417 A422 V423 N457 L460L415-K419 HydrophobicContact CD2-CD 3.8Å; L415-K419 HydrophobicContact CG-CD 4.43Å; L415-K419 WeakPolarHBondContact O-CB 3.45Å; L415-K419 WeakPolarHBondContact O-CG 3.22Å; L415-K419 PolarHBondContact O-N 3.33Å; A416-K419 PolarHBondContact O-N 2.97Å; A417-K419 PolarHBondContact O-N 3.34Å; K419-A422 PolarHBondContact O-N 2.91Å; K419-V423 WeakPolarHBondContact O-CG2 3.37Å; K419-V423 PolarHBondContact O-N 3.44Å; K419-N457 PolarHBondContact NZ-OD1 3.31Å; K419-L460 HydrophobicContact CD-CD1 3.29Å; K419-L460 HydrophobicContact CD-CG 4.5Å
420V92.9Very high91.3Very high2 Ų254.5 Ų54.51%0.01228%0.276CS..Hα-helixtrans-70.2-40.6177.8176.60000111.8L393 A416 A417 A422 V423 S424 G425 D426 R429 A430 I433L393-V420 HydrophobicContact CD1-CB 4.2Å; L393-V420 HydrophobicContact CD1-CG1 3.99Å; A416-V420 VanDerWaalsContact O-CG2 3.31Å; A416-V420 WeakPolarHBondContact O-CG2 3.48Å; A416-V420 PolarHBondContact O-N 3Å; A417-V420 PolarHBondContact O-N 3.08Å; V420-A422 VanDerWaalsContact C-N 3.3Å; V420-A422 PolarHBondContact O-N 3.41Å; V420-V423 PolarHBondContact O-N 2.87Å; V420-S424 PolarHBondContact O-N 3.46Å; V420-G425 PolarHBondContact O-N 3.44Å; V420-D426 WeakPolarHBondContact CG1-O 2.86Å; V420-R429 HydrophobicContact CG1-CB 4.19Å; V420-A430 HydrophobicContact CB-CB 4.47Å; V420-A430 HydrophobicContact CG1-CB 4.16Å; V420-A430 HydrophobicContact CG2-CB 4.35Å; V420-I433 HydrophobicContact CG2-CD1 3.22Å
421A94Very high91.4Very high30 Ų3052 Ų5225%0.24826%0.258CS..Hα-helixtrans-60-40.7175.200000111.9H390 L393 A417 V423H390-A421 HydrophobicContact CB-CB 3.84Å; L393-A421 HydrophobicContact CD1-CB 4.08Å; A417-A421 VanDerWaalsContact O-CB 3.27Å; A417-A421 WeakPolarHBondContact O-CB 3.42Å; A417-A421 PolarHBondContact O-N 3Å; A421-V423 VanDerWaalsContact C-N 3.3Å; A421-V423 PolarHBondContact O-N 3.27Å
422A92.9Very high91.5Very high88 Ų8848.7 Ų48.773%0.72725%0.247SC*.Hα-helixtrans-65.8-28.6178.700000113.8R418 K419 V420R418-A422 WeakPolarHBondContact O-CB 3.39Å; R418-A422 PolarHBondContact O-N 3.46Å; R418-A422 VanDerWaalsContact O-N 3.09Å; K419-A422 PolarHBondContact O-N 2.91Å; V420-A422 VanDerWaalsContact C-N 3.3Å; V420-A422 PolarHBondContact O-N 3.41Å
423V89.7Confident91.5Very high90 Ų9048.7 Ų48.755%0.54525%0.247SC..Hα-helixtrans-97.2-40.4-176.4-179.60000112.7K419 V420 A421 F464K419-V423 WeakPolarHBondContact O-CG2 3.37Å; K419-V423 PolarHBondContact O-N 3.44Å; V420-V423 PolarHBondContact O-N 2.87Å; A421-V423 VanDerWaalsContact C-N 3.3Å; A421-V423 PolarHBondContact O-N 3.27Å; V423-F464 HydrophobicContact CG1-CE1 4.35Å
424S85.5Confident91.5Very high32 Ų3248.4 Ų48.422%0.22425%0.246CC..THydrogen-bonded Turntrans-149.1-32-172.4-53.90000115.3V420 D426 R429V420-S424 PolarHBondContact O-N 3.46Å; S424-D426 VanDerWaalsContact C-N 3.32Å; S424-R429 PolarHBondContact OG-NH1 3.43Å
425G88.8Confident91.3Very high0 Ų049.5 Ų49.50%025%0.249CC..  trans6926.7-173.200000114.4Y388 V420Y388-G425 PolarHBondContact N-O 3.43Å; V420-G425 PolarHBondContact O-N 3.44Å
426D91.9Very high91.2Very high18 Ų1850.9 Ų50.910%0.09625%0.252CS..  trans-93.7127.1179.8179.7-5.8000111.4G230 V420 S424 R428 R429 A430G230-D426 WeakPolarHBondContact CA-OD1 3.25Å; V420-D426 WeakPolarHBondContact CG1-O 2.86Å; S424-D426 VanDerWaalsContact C-N 3.32Å; D426-R428 WeakPolarHBondContact OD1-CB 3.38Å; D426-R428 PolarHBondContact OD1-N 2.91Å; D426-R429 HydrophobicContact CB-CB 4.25Å; D426-R429 HydrophobicContact CB-CG 4.14Å; D426-A430 PolarHBondContact O-N 3.29Å
427V91.7Very high91.2Very high20 Ų2050.8 Ų50.812%0.12125%0.251CS..Hα-helixtrans-65.9-38.6177.5176.40000112.2G230 Y388 L393 I396 R429 A430 L431G230-V427 PolarHBondContact O-N 3.45Å; Y388-V427 HydrophobicContact CD2-CG2 3.37Å; Y388-V427 HydrophobicContact CE2-CG2 3.21Å; Y388-V427 HydrophobicContact CG-CG2 4.22Å; L393-V427 HydrophobicContact CD2-CB 4.44Å; L393-V427 HydrophobicContact CD2-CG2 3.72Å; I396-V427 HydrophobicContact CD1-CG2 3.97Å; I396-V427 HydrophobicContact CG2-CG1 3.78Å; I396-V427 HydrophobicContact CG2-CG2 4.4Å; V427-R429 VanDerWaalsContact C-N 3.34Å; V427-R429 PolarHBondContact O-N 2.89Å; V427-A430 WeakPolarHBondContact O-CB 3.37Å; V427-A430 PolarHBondContact O-N 2.95Å; V427-A430 VanDerWaalsContact O-N 3.16Å; V427-L431 HydrophobicContact CG1-CD1 3.94Å; V427-L431 HydrophobicContact CG1-CG 4.27Å; V427-L431 WeakPolarHBondContact O-CG 3.41Å; V427-L431 PolarHBondContact O-N 2.8Å
428R91.8Very high91Very high162 Ų16251.3 Ų51.361%0.61126%0.255SS*.Hα-helixtrans-60.1-47.8-178.6-62.1177.9-179.5165.9-0.4109.8D426 A430 L431 D432D426-R428 WeakPolarHBondContact OD1-CB 3.38Å; D426-R428 PolarHBondContact OD1-N 2.91Å; R428-A430 VanDerWaalsContact C-N 3.33Å; R428-A430 PolarHBondContact O-N 3.21Å; R428-L431 PolarHBondContact O-N 3.01Å; R428-D432 WeakPolarHBondContact O-CB 3.33Å; R428-D432 VanDerWaalsContact O-CG 3.28Å; R428-D432 PolarHBondContact O-N 3.34Å
429R91.3Very high90.7Very high108 Ų10848.2 Ų48.241%0.40825%0.247SC..Hα-helixtrans-58.8-41.6175.3-70.6-175.4176.6-166.1-7.2112.5V420 S424 D426 V427 D432 I433V420-R429 HydrophobicContact CG1-CB 4.19Å; S424-R429 PolarHBondContact OG-NH1 3.43Å; D426-R429 HydrophobicContact CB-CB 4.25Å; D426-R429 HydrophobicContact CB-CG 4.14Å; V427-R429 VanDerWaalsContact C-N 3.34Å; V427-R429 PolarHBondContact O-N 2.89Å; R429-D432 PolarHBondContact O-N 2.96Å; R429-I433 WeakPolarHBondContact O-CD1 3.32Å; R429-I433 VanDerWaalsContact O-CG1 3.3Å; R429-I433 WeakPolarHBondContact O-CG1 3.34Å; R429-I433 PolarHBondContact O-N 3.41Å
430A91.6Very high90.6Very high2 Ų245.5 Ų45.52%0.01724%0.236CC..Hα-helixtrans-63-45.2178.100000112.1L393 V397 V420 D426 V427 R428 I433 C434L393-A430 HydrophobicContact CD2-CB 4.49Å; V397-A430 HydrophobicContact CG2-CB 4.05Å; V420-A430 HydrophobicContact CB-CB 4.47Å; V420-A430 HydrophobicContact CG1-CB 4.16Å; V420-A430 HydrophobicContact CG2-CB 4.35Å; D426-A430 PolarHBondContact O-N 3.29Å; V427-A430 WeakPolarHBondContact O-CB 3.37Å; V427-A430 PolarHBondContact O-N 2.95Å; V427-A430 VanDerWaalsContact O-N 3.16Å; R428-A430 VanDerWaalsContact C-N 3.33Å; R428-A430 PolarHBondContact O-N 3.21Å; A430-I433 PolarHBondContact O-N 2.95Å; A430-C434 PolarHBondContact O-N 3Å; A430-C434 VanDerWaalsContact O-N 3.17Å; A430-C434 PolarHBondContact O-SG 2.8Å
431L90.4Very high90.4Very high41 Ų4146.1 Ų46.122%0.21524%0.24CC..Hα-helixtrans-65.8-39.8177-68173.9000112V397 H400 V427 R428 I433 C434 K435V397-L431 HydrophobicContact CG1-CD2 4.42Å; V397-L431 HydrophobicContact CG2-CD2 4.14Å; H400-L431 HydrophobicContact CB-CD2 4.16Å; V427-L431 HydrophobicContact CG1-CD1 3.94Å; V427-L431 HydrophobicContact CG1-CG 4.27Å; V427-L431 WeakPolarHBondContact O-CG 3.41Å; V427-L431 PolarHBondContact O-N 2.8Å; R428-L431 PolarHBondContact O-N 3.01Å; L431-I433 PolarHBondContact O-N 3.16Å; L431-C434 PolarHBondContact O-N 3.33Å; L431-K435 WeakPolarHBondContact O-CB 3.45Å; L431-K435 PolarHBondContact O-N 2.83Å
432D91.1Very high90Very high84 Ų8449.2 Ų49.245%0.44926%0.259SS..Hα-helixtrans-63.7-39.6177.5-72.9-28.1000112.1R428 R429 K435 R436 M463R428-D432 WeakPolarHBondContact O-CB 3.33Å; R428-D432 VanDerWaalsContact O-CG 3.28Å; R428-D432 PolarHBondContact O-N 3.34Å; R429-D432 PolarHBondContact O-N 2.96Å; D432-K435 PolarHBondContact O-N 3.34Å; D432-R436 WeakPolarHBondContact O-CB 3.36Å; D432-R436 PolarHBondContact O-N 2.82Å; D432-M463 HydrophobicContact CB-CE 4.05Å
433I91.4Very high89.7Confident0 Ų049.7 Ų49.70%026%0.257CS..Hα-helixtrans-63.3-45.6174.7-70.5158000110.7A416 V420 R429 A430 L431 K435 R436 A437 I456 L460 M463 F464A416-I433 HydrophobicContact CB-CG2 4.38Å; V420-I433 HydrophobicContact CG2-CD1 3.22Å; R429-I433 WeakPolarHBondContact O-CD1 3.32Å; R429-I433 VanDerWaalsContact O-CG1 3.3Å; R429-I433 WeakPolarHBondContact O-CG1 3.34Å; R429-I433 PolarHBondContact O-N 3.41Å; A430-I433 PolarHBondContact O-N 2.95Å; L431-I433 PolarHBondContact O-N 3.16Å; I433-K435 VanDerWaalsContact C-N 3.35Å; I433-R436 PolarHBondContact O-N 3.36Å; I433-A437 WeakPolarHBondContact O-CB 3.5Å; I433-A437 PolarHBondContact O-N 2.73Å; I433-I456 HydrophobicContact CG2-CG2 4.3Å; I433-L460 HydrophobicContact CD1-CD2 3.64Å; I433-L460 HydrophobicContact CG1-CD2 4.12Å; I433-L460 HydrophobicContact CG2-CD2 4.06Å; I433-L460 HydrophobicContact CG2-CG 4.2Å; I433-M463 HydrophobicContact CB-SD 4.22Å; I433-M463 HydrophobicContact CG1-CE 3.84Å; I433-M463 HydrophobicContact CG1-SD 3.38Å; I433-M463 WeakPolarHBondContact CG1-SD 3.43Å; I433-F464 HydrophobicContact CD1-CE2 4.19Å
434C89.6Confident89.2Confident3 Ų348.4 Ų48.42%0.0225%0.252CS..Hα-helixtrans-63.3-41.8177.6-70.80000111.8F408 A430 L431 A437 A438F408-C434 HydrophobicContact CE1-CB 4.08Å; F408-C434 HydrophobicContact CZ-CB 4.19Å; A430-C434 PolarHBondContact O-N 3Å; A430-C434 VanDerWaalsContact O-N 3.17Å; A430-C434 PolarHBondContact O-SG 2.8Å; L431-C434 PolarHBondContact O-N 3.33Å; C434-A437 PolarHBondContact O-N 3.39Å; C434-A438 PolarHBondContact O-N 2.94Å
435K89.2Confident88.5Confident96 Ų9650.2 Ų50.242%0.41728%0.276SS..Hα-helixtrans-61.1-46.7174.5-176.7-179.7176.5-1780111L185 L431 D432 I433 A437 A438 E439L185-K435 HydrophobicContact CD1-CG 4.49Å; L431-K435 WeakPolarHBondContact O-CB 3.45Å; L431-K435 PolarHBondContact O-N 2.83Å; D432-K435 PolarHBondContact O-N 3.34Å; I433-K435 VanDerWaalsContact C-N 3.35Å; K435-A437 VanDerWaalsContact C-N 3.34Å; K435-A437 PolarHBondContact O-N 3.15Å; K435-A438 WeakPolarHBondContact O-CB 3.23Å; K435-A438 PolarHBondContact O-N 3.23Å; K435-E439 WeakPolarHBondContact CE-OE1 3.1Å; K435-E439 WeakPolarHBondContact O-CG 3.48Å; K435-E439 PolarHBondContact O-N 2.76Å
436R90.7Very high87.2Confident71 Ų7158.4 Ų58.427%0.26831%0.312SS..Hα-helixtrans-63.9-39.4178.9-17460.9-172.9162.91.6112.2D432 I433 A438 E439 I440 A459 E462 M463D432-R436 WeakPolarHBondContact O-CB 3.36Å; D432-R436 PolarHBondContact O-N 2.82Å; I433-R436 PolarHBondContact O-N 3.36Å; R436-A438 VanDerWaalsContact C-N 3.33Å; R436-A438 PolarHBondContact O-N 3.15Å; R436-E439 IonicContact CZ-OE2 3.04Å; R436-E439 IonicContact NH1-OE2 3.73Å; R436-E439 PolarHBondContact NH1-OE2 3.38Å; R436-E439 PolarHBondContact O-N 2.81Å; R436-I440 HydrophobicContact CG-CD1 4.32Å; R436-I440 WeakPolarHBondContact O-CG1 3.46Å; R436-I440 PolarHBondContact O-N 3.04Å; R436-A459 HydrophobicContact CB-CB 4.09Å; R436-A459 HydrophobicContact CG-CB 3.94Å; R436-E462 IonicContact CZ-OE1 3.31Å; R436-E462 IonicContact CZ-OE2 3.83Å; R436-E462 IonicContact NE-OE1 2.73Å; R436-E462 IonicContact NE-OE2 2.6Å; R436-E462 PolarHBondContact NE-OE2 3.12Å; R436-E462 VanDerWaalsContact NH2-CD 3.25Å; R436-E462 IonicContact NH2-OE1 3.2Å; R436-E462 PolarHBondContact NH2-OE1 3.24Å; R436-E462 IonicContact NH2-OE2 3.01Å; R436-E462 PolarHBondContact NH2-OE2 2.99Å; R436-M463 HydrophobicContact CB-SD 4.49Å
437A90.5Very high85.7Confident0 Ų061.2 Ų61.20%035%0.345CS..Hα-helixtrans-60.8-42174.100000111.8I433 C434 K435 I440 V441 I451 I456 A459I433-A437 WeakPolarHBondContact O-CB 3.5Å; I433-A437 PolarHBondContact O-N 2.73Å; C434-A437 PolarHBondContact O-N 3.39Å; K435-A437 VanDerWaalsContact C-N 3.34Å; K435-A437 PolarHBondContact O-N 3.15Å; A437-I440 PolarHBondContact O-N 3.06Å; A437-V441 PolarHBondContact O-N 3.41Å; A437-V441 VanDerWaalsContact O-N 3.17Å; A437-I451 HydrophobicContact CB-CG2 3.97Å; A437-I456 HydrophobicContact CB-CG1 3.97Å; A437-A459 HydrophobicContact CB-CB 4.22Å
438A88.5Confident84.4Confident14 Ų1466.5 Ų66.512%0.11637%0.372CS..Hα-helixtrans-64.7-38.2175.500000112.7F408 C434 K435 R436 V441 S442 I451F408-A438 HydrophobicContact CZ-CB 4.46Å; C434-A438 PolarHBondContact O-N 2.94Å; K435-A438 WeakPolarHBondContact O-CB 3.23Å; K435-A438 PolarHBondContact O-N 3.23Å; R436-A438 VanDerWaalsContact C-N 3.33Å; R436-A438 PolarHBondContact O-N 3.15Å; A438-V441 PolarHBondContact O-N 2.54Å; A438-S442 WeakPolarHBondContact O-CB 3.34Å; A438-S442 PolarHBondContact O-N 2.98Å; A438-S442 PolarHBondContact O-OG 2.72Å; A438-I451 HydrophobicContact CB-CD1 3.8Å
439E89.3Confident83.5Confident66 Ų6666.5 Ų66.531%0.30838%0.377SS..Hα-helixtrans-64.1-38.8174-71.4173.4-172.800112.5K435 R436 S442 S443K435-E439 WeakPolarHBondContact CE-OE1 3.1Å; K435-E439 WeakPolarHBondContact O-CG 3.48Å; K435-E439 PolarHBondContact O-N 2.76Å; R436-E439 IonicContact CZ-OE2 3.04Å; R436-E439 IonicContact NH1-OE2 3.73Å; R436-E439 PolarHBondContact NH1-OE2 3.38Å; R436-E439 PolarHBondContact O-N 2.81Å; E439-S442 PolarHBondContact O-N 3.35Å; E439-S443 WeakPolarHBondContact O-CB 3.31Å; E439-S443 PolarHBondContact O-N 3.06Å; E439-S443 PolarHBondContact O-OG 3.34Å
440I89.4Confident83.2Confident29 Ų2966.6 Ų66.615%0.14938%0.382CS..Hα-helixtrans-64.6-42177.2-69.5167000111.1R436 A437 S443 S444 A458 A459R436-I440 HydrophobicContact CG-CD1 4.32Å; R436-I440 WeakPolarHBondContact O-CG1 3.46Å; R436-I440 PolarHBondContact O-N 3.04Å; A437-I440 PolarHBondContact O-N 3.06Å; I440-S443 PolarHBondContact O-N 3.1Å; I440-S444 WeakPolarHBondContact O-CB 3.27Å; I440-S444 PolarHBondContact O-N 3.17Å; I440-S444 PolarHBondContact O-OG 3.36Å; I440-A458 HydrophobicContact CD1-CB 4.13Å; I440-A459 HydrophobicContact CD1-CB 3.92Å
441V88.4Confident82.9Confident15 Ų1566.5 Ų66.59%0.09138%0.381CS..Hα-helixtrans-62.8-46.8174.6174.40000110.3A437 A438 S443 S444 N448 I451 H455A437-V441 PolarHBondContact O-N 3.41Å; A437-V441 VanDerWaalsContact O-N 3.17Å; A438-V441 PolarHBondContact O-N 2.54Å; V441-S443 VanDerWaalsContact C-N 3.28Å; V441-S443 PolarHBondContact O-N 2.68Å; V441-S444 PolarHBondContact O-N 2.87Å; V441-S444 VanDerWaalsContact O-N 3.16Å; V441-N448 WeakPolarHBondContact CG1-O 3.36Å; V441-I451 HydrophobicContact CG2-CG1 3.87Å; V441-H455 HydrophobicContact CG2-CB 4.16Å; V441-H455 VanDerWaalsContact CG2-ND1 3.27Å; V441-H455 WeakPolarHBondContact CG2-ND1 3.46Å
442S86.5Confident82.8Confident95 Ų9567.2 Ų67.266%0.66439%0.385SS*.Hα-helixtrans-60.2-38.2177.9-56.50000112.2A438 E439A438-S442 WeakPolarHBondContact O-CB 3.34Å; A438-S442 PolarHBondContact O-N 2.98Å; A438-S442 PolarHBondContact O-OG 2.72Å; E439-S442 PolarHBondContact O-N 3.35Å
443S85.7Confident82.8Confident97 Ų9765.8 Ų65.868%0.67838%0.377SS*.Hα-helixtrans-74.4-27179.4-57.20000113E439 I440 V441 G445E439-S443 WeakPolarHBondContact O-CB 3.31Å; E439-S443 PolarHBondContact O-N 3.06Å; E439-S443 PolarHBondContact O-OG 3.34Å; I440-S443 PolarHBondContact O-N 3.1Å; V441-S443 VanDerWaalsContact C-N 3.28Å; V441-S443 PolarHBondContact O-N 2.68Å; S443-G445 VanDerWaalsContact C-N 3.27Å; S443-G445 PolarHBondContact O-N 3.44Å
444S80.7Confident82.8Confident63 Ų6368.7 Ų68.744%0.44140%0.397SS..Hα-helixtrans-76.3-12.9-175.6-63.90000113.2I440 V441 K446I440-S444 WeakPolarHBondContact O-CB 3.27Å; I440-S444 PolarHBondContact O-N 3.17Å; I440-S444 PolarHBondContact O-OG 3.36Å; V441-S444 PolarHBondContact O-N 2.87Å; V441-S444 VanDerWaalsContact O-N 3.16Å; S444-K446 PolarHBondContact O-N 3.47Å
445G70.1Confident82.9Confident71 Ų7170.7 Ų70.773%0.73241%0.406SS*.  trans62-2.4173.500000116S443S443-G445 VanDerWaalsContact C-N 3.27Å; S443-G445 PolarHBondContact O-N 3.44Å
446K62.6Low83Confident172 Ų17266.1 Ų66.175%0.74839%0.386SS*.  trans-77.6128176.6-67.2176.9-177.2-179.50107.7S444 N448S444-K446 PolarHBondContact O-N 3.47Å; K446-N448 PolarHBondContact O-N 2.88Å
447G59.5Low83.1Confident76 Ų7665.8 Ų65.878%0.78439%0.39SS*.SBendtrans-60.16.9-170.300000117.5K449G447-K449 PolarHBondContact O-N 3.11Å
448N64.6Low83.2Confident132 Ų13267.9 Ų67.971%0.70641%0.407SS*.  trans-82.4108.4174.6-70.82.4000109.2V441 K446 E450V441-N448 WeakPolarHBondContact CG1-O 3.36Å; K446-N448 PolarHBondContact O-N 2.88Å; N448-E450 PolarHBondContact O-N 3.5Å
449K73.7Confident83.4Confident162 Ų16267.2 Ų67.270%0.70440%0.402SS*.  trans-78.6-3.8178.3-64.3-179.8-178175.40113.3G447G447-K449 PolarHBondContact O-N 3.11Å
450E83.5Confident83.5Confident110 Ų11064.6 Ų64.651%0.51439%0.39SS..  trans-89.6135.3-178.1-66.7-175.8-169.400112.4M407 N448 D452M407-E450 CarbonylContact O-C 3.59Å; M407-E450 WeakPolarHBondContact O-CA 3.47Å; N448-E450 PolarHBondContact O-N 3.5Å; E450-D452 PolarHBondContact O-N 2.97Å
451I84.9Confident83.5Confident0 Ų070.2 Ų70.20%041%0.413CS..BIsolated β-bridgetrans-91.9102.4178.9-62.6164000108.2M407 F408 Q409 A437 A438 V441 H455 I456M407-I451 WeakPolarHBondContact O-CB 3.27Å; M407-I451 PolarHBondContact O-N 3Å; F408-I451 HydrophobicContact CD1-CB 3.84Å; F408-I451 HydrophobicContact CD1-CD1 3.66Å; F408-I451 HydrophobicContact CD1-CG1 4.35Å; F408-I451 HydrophobicContact CD1-CG2 3.83Å; F408-I451 HydrophobicContact CD2-CD1 3.9Å; F408-I451 HydrophobicContact CE1-CB 4.12Å; F408-I451 HydrophobicContact CE1-CD1 3.25Å; F408-I451 HydrophobicContact CE1-CG1 4.25Å; F408-I451 HydrophobicContact CE1-CG2 3.89Å; F408-I451 HydrophobicContact CE2-CD1 3.49Å; F408-I451 VanDerWaalsContact CE2-CD1 3.49Å; F408-I451 HydrophobicContact CG-CB 4.34Å; F408-I451 HydrophobicContact CG-CD1 3.99Å; F408-I451 HydrophobicContact CZ-CD1 3.16Å; Q409-I451 PolarHBondContact N-O 3.04Å; A437-I451 HydrophobicContact CB-CG2 3.97Å; A438-I451 HydrophobicContact CB-CD1 3.8Å; V441-I451 HydrophobicContact CG2-CG1 3.87Å; I451-H455 HydrophobicContact CG2-CB 4.31Å; I451-I456 HydrophobicContact CG2-CD1 4.48Å; I451-I456 HydrophobicContact CG2-CG1 4.13Å
452D88.5Confident83.4Confident56 Ų5672.6 Ų72.630%0.29942%0.423SS..  trans-81.7166.4173.7-178.838.5000113.2Q409 E450 S454 H455 I456Q409-D452 PolarHBondContact OE1-OD1 3.47Å; E450-D452 PolarHBondContact O-N 2.97Å; D452-S454 PolarHBondContact O-N 3.42Å; D452-S454 PolarHBondContact OD2-N 2.85Å; D452-S454 PolarHBondContact OD2-OG 2.78Å; D452-H455 PolarHBondContact N-ND1 3.49Å; D452-H455 PolarHBondContact O-N 3.31Å; D452-H455 VanDerWaalsContact O-N 3.17Å; D452-I456 PolarHBondContact O-N 3.33Å
453I91.1Very high83.4Confident53 Ų5371.8 Ų71.827%0.27241%0.41SS..Hα-helixtrans-56.4-36.1177.1-60.9169.3000111.5K411 A412 L415 H455 I456 N457K411-I453 HydrophobicContact CB-CD1 4.31Å; A412-I453 HydrophobicContact CB-CG1 3.89Å; L415-I453 HydrophobicContact CD1-CG2 3.77Å; I453-H455 VanDerWaalsContact C-N 3.32Å; I453-H455 PolarHBondContact O-N 3.05Å; I453-I456 PolarHBondContact O-N 3.35Å; I453-N457 PolarHBondContact O-N 3.17Å; I453-N457 PolarHBondContact O-ND2 3.09Å
454S91.5Very high83.3Confident62 Ų6271.6 Ų71.643%0.43440%0.397SS..Hα-helixtrans-58.8-41.6178.154.90000112.5D452 N457 A458D452-S454 PolarHBondContact O-N 3.42Å; D452-S454 PolarHBondContact OD2-N 2.85Å; D452-S454 PolarHBondContact OD2-OG 2.78Å; S454-N457 PolarHBondContact O-N 3.49Å; S454-A458 WeakPolarHBondContact O-CB 3.22Å; S454-A458 PolarHBondContact O-N 3.28Å
455H91.6Very high83.4Confident45 Ų4570.4 Ų70.421%0.20839%0.387CS..Hα-helixtrans-68.1-38.9178-54.2134.5000112.2V441 I451 D452 I453 A458 A459V441-H455 HydrophobicContact CG2-CB 4.16Å; V441-H455 VanDerWaalsContact CG2-ND1 3.27Å; V441-H455 WeakPolarHBondContact CG2-ND1 3.46Å; I451-H455 HydrophobicContact CG2-CB 4.31Å; D452-H455 PolarHBondContact N-ND1 3.49Å; D452-H455 PolarHBondContact O-N 3.31Å; D452-H455 VanDerWaalsContact O-N 3.17Å; I453-H455 VanDerWaalsContact C-N 3.32Å; I453-H455 PolarHBondContact O-N 3.05Å; H455-A458 PolarHBondContact O-N 3.4Å; H455-A459 WeakPolarHBondContact O-CB 3.36Å; H455-A459 PolarHBondContact O-N 3.37Å
456I92.1Very high83.9Confident0 Ų071.1 Ų71.10%038%0.378CS..Hα-helixtrans-66.9-42.8176.1-65.4-177.2000110.5A412 L415 A416 I433 A437 I451 D452 I453 A458 A459 L460A412-I456 HydrophobicContact CB-CD1 3.41Å; A412-I456 VanDerWaalsContact CB-CD1 3.41Å; A412-I456 HydrophobicContact CB-CG1 4.38Å; A412-I456 WeakPolarHBondContact O-CD1 3.35Å; L415-I456 HydrophobicContact CD2-CG2 3.92Å; A416-I456 HydrophobicContact CB-CD1 4.26Å; A416-I456 HydrophobicContact CB-CG2 3.89Å; I433-I456 HydrophobicContact CG2-CG2 4.3Å; A437-I456 HydrophobicContact CB-CG1 3.97Å; I451-I456 HydrophobicContact CG2-CD1 4.48Å; I451-I456 HydrophobicContact CG2-CG1 4.13Å; D452-I456 PolarHBondContact O-N 3.33Å; I453-I456 PolarHBondContact O-N 3.35Å; I456-A458 VanDerWaalsContact C-N 3.29Å; I456-A458 PolarHBondContact O-N 3.35Å; I456-A459 PolarHBondContact O-N 3.27Å; I456-L460 HydrophobicContact CG2-CD1 3.78Å; I456-L460 HydrophobicContact CG2-CG 4.25Å; I456-L460 WeakPolarHBondContact O-CB 3.36Å; I456-L460 WeakPolarHBondContact O-CD1 3.36Å; I456-L460 WeakPolarHBondContact O-CG 3.16Å; I456-L460 PolarHBondContact O-N 3.34Å
457N92.9Very high85Confident63 Ų6365 Ų6534%0.33735%0.353SS..Hα-helixtrans-62.4-37174.5-76.9-30.5000112.2K419 I453 S454 K461K419-N457 PolarHBondContact NZ-OD1 3.31Å; I453-N457 PolarHBondContact O-N 3.17Å; I453-N457 PolarHBondContact O-ND2 3.09Å; S454-N457 PolarHBondContact O-N 3.49Å; N457-K461 WeakPolarHBondContact O-CB 3.47Å; N457-K461 PolarHBondContact O-N 3.44Å
458A91.9Very high86.3Confident44 Ų4465.2 Ų65.236%0.36433%0.332SS..Hα-helixtrans-64.7-44.317300000112I440 S454 H455 I456 K461 E462I440-A458 HydrophobicContact CD1-CB 4.13Å; S454-A458 WeakPolarHBondContact O-CB 3.22Å; S454-A458 PolarHBondContact O-N 3.28Å; H455-A458 PolarHBondContact O-N 3.4Å; I456-A458 VanDerWaalsContact C-N 3.29Å; I456-A458 PolarHBondContact O-N 3.35Å; A458-K461 PolarHBondContact O-N 3.42Å; A458-E462 PolarHBondContact O-N 2.94Å
459A92.3Very high87.3Confident0 Ų060.7 Ų60.70%031%0.311CS..Hα-helixtrans-61.7-45.617600000111.9R436 A437 I440 H455 I456 K461 E462 M463R436-A459 HydrophobicContact CB-CB 4.09Å; R436-A459 HydrophobicContact CG-CB 3.94Å; A437-A459 HydrophobicContact CB-CB 4.22Å; I440-A459 HydrophobicContact CD1-CB 3.92Å; H455-A459 WeakPolarHBondContact O-CB 3.36Å; H455-A459 PolarHBondContact O-N 3.37Å; I456-A459 PolarHBondContact O-N 3.27Å; A459-K461 VanDerWaalsContact C-N 3.33Å; A459-K461 PolarHBondContact O-N 3.48Å; A459-E462 PolarHBondContact O-N 3.28Å; A459-M463 WeakPolarHBondContact O-CG 3.26Å; A459-M463 PolarHBondContact O-N 2.79Å
460L91.5Very high87.9Confident11 Ų1156.7 Ų56.76%0.05830%0.295CS..Hα-helixtrans-61.3-42175.8-71.8165.6000111.7L415 K419 I433 I456 E462 M463 F464L415-L460 HydrophobicContact CD2-CD1 4.07Å; K419-L460 HydrophobicContact CD-CD1 3.29Å; K419-L460 HydrophobicContact CD-CG 4.5Å; I433-L460 HydrophobicContact CD1-CD2 3.64Å; I433-L460 HydrophobicContact CG1-CD2 4.12Å; I433-L460 HydrophobicContact CG2-CD2 4.06Å; I433-L460 HydrophobicContact CG2-CG 4.2Å; I456-L460 HydrophobicContact CG2-CD1 3.78Å; I456-L460 HydrophobicContact CG2-CG 4.25Å; I456-L460 WeakPolarHBondContact O-CB 3.36Å; I456-L460 WeakPolarHBondContact O-CD1 3.36Å; I456-L460 WeakPolarHBondContact O-CG 3.16Å; I456-L460 PolarHBondContact O-N 3.34Å; L460-E462 VanDerWaalsContact C-N 3.35Å; L460-M463 PolarHBondContact O-N 2.75Å; L460-F464 HydrophobicContact CB-CD2 4.38Å; L460-F464 HydrophobicContact CD2-CD2 3.91Å; L460-F464 HydrophobicContact CD2-CE2 3.55Å; L460-F464 WeakPolarHBondContact O-CB 3.38Å; L460-F464 WeakPolarHBondContact O-CD2 3.46Å; L460-F464 PolarHBondContact O-N 2.98Å
461K89.5Confident88.2Confident148 Ų14851.5 Ų51.564%0.64327%0.27SS*.Hα-helixtrans-61.7-44.9175.3-171.9176.7179.5179.80110.3N457 A458 A459 M463 T465N457-K461 WeakPolarHBondContact O-CB 3.47Å; N457-K461 PolarHBondContact O-N 3.44Å; A458-K461 PolarHBondContact O-N 3.42Å; A459-K461 VanDerWaalsContact C-N 3.33Å; A459-K461 PolarHBondContact O-N 3.48Å; K461-M463 VanDerWaalsContact C-N 3.33Å; K461-M463 PolarHBondContact O-N 3.28Å; K461-T465 WeakPolarHBondContact CG-OG1 3.4Å; K461-T465 WeakPolarHBondContact O-CB 3.37Å; K461-T465 PolarHBondContact O-N 3.12Å; K461-T465 PolarHBondContact O-OG1 3.42Å
462E87.7Confident88.5Confident64 Ų6451.6 Ų51.630%0.29927%0.271SS..Hα-helixtrans-64.1-36.5178-172.7172.6-171.400113.1R19 R436 A458 A459 L460R19-E462 IonicContact CZ-OE1 3.66Å; R19-E462 IonicContact NH1-OE1 3.97Å; R19-E462 PolarHBondContact NH1-OE1 3.47Å; R19-E462 IonicContact NH2-OE1 2.73Å; R19-E462 PolarHBondContact NH2-OE1 2.89Å; R436-E462 IonicContact CZ-OE1 3.31Å; R436-E462 IonicContact CZ-OE2 3.83Å; R436-E462 IonicContact NE-OE1 2.73Å; R436-E462 IonicContact NE-OE2 2.6Å; R436-E462 PolarHBondContact NE-OE2 3.12Å; R436-E462 VanDerWaalsContact NH2-CD 3.25Å; R436-E462 IonicContact NH2-OE1 3.2Å; R436-E462 PolarHBondContact NH2-OE1 3.24Å; R436-E462 IonicContact NH2-OE2 3.01Å; R436-E462 PolarHBondContact NH2-OE2 2.99Å; A458-E462 PolarHBondContact O-N 2.94Å; A459-E462 PolarHBondContact O-N 3.28Å; L460-E462 VanDerWaalsContact C-N 3.35Å
463M86.1Confident88.4Confident79 Ų7950.7 Ų50.739%0.38927%0.269SS..Hα-helixtrans-80.4-37.3-177.4-69.2-179.970.500113.9D432 I433 R436 A459 L460 K461D432-M463 HydrophobicContact CB-CE 4.05Å; I433-M463 HydrophobicContact CB-SD 4.22Å; I433-M463 HydrophobicContact CG1-CE 3.84Å; I433-M463 HydrophobicContact CG1-SD 3.38Å; I433-M463 WeakPolarHBondContact CG1-SD 3.43Å; R436-M463 HydrophobicContact CB-SD 4.49Å; A459-M463 WeakPolarHBondContact O-CG 3.26Å; A459-M463 PolarHBondContact O-N 2.79Å; L460-M463 PolarHBondContact O-N 2.75Å; K461-M463 VanDerWaalsContact C-N 3.33Å; K461-M463 PolarHBondContact O-N 3.28Å
464F82.6Confident88.3Confident92 Ų9249 Ų4940%0.40426%0.263SS..Hα-helixtrans-102.1-8.3-174.6-67.1-68.8000114.2V423 I433 L460 T466V423-F464 HydrophobicContact CG1-CE1 4.35Å; I433-F464 HydrophobicContact CD1-CE2 4.19Å; L460-F464 HydrophobicContact CB-CD2 4.38Å; L460-F464 HydrophobicContact CD2-CD2 3.91Å; L460-F464 HydrophobicContact CD2-CE2 3.55Å; L460-F464 WeakPolarHBondContact O-CB 3.38Å; L460-F464 WeakPolarHBondContact O-CD2 3.46Å; L460-F464 PolarHBondContact O-N 2.98Å; F464-T466 PolarHBondContact O-N 3.42Å
465T83.1Confident88.2Confident38 Ų3846.5 Ų46.523%0.23325%0.245CC..SBendtrans-64.7125175.5-64.80000109.5K461 L467 E470K461-T465 WeakPolarHBondContact CG-OG1 3.4Å; K461-T465 WeakPolarHBondContact O-CB 3.37Å; K461-T465 PolarHBondContact O-N 3.12Å; K461-T465 PolarHBondContact O-OG1 3.42Å; T465-L467 PolarHBondContact O-N 3.41Å; T465-L467 VanDerWaalsContact O-N 3.15Å; T465-E470 HydrophobicContact CG2-CG 3.94Å; T465-E470 WeakPolarHBondContact CG2-OE1 3.24Å
466T82Confident88.2Confident87 Ų8746.5 Ų46.553%0.53425%0.25SS..  trans-66.7116178.3-61.20000109F464 K468 S469F464-T466 PolarHBondContact O-N 3.42Å; T466-K468 HydrophobicContact CG2-CB 3.93Å; T466-K468 HydrophobicContact CG2-CD 4.33Å; T466-K468 HydrophobicContact CG2-CG 4.16Å; T466-K468 PolarHBondContact O-N 3.44Å; T466-S469 PolarHBondContact O-N 3.07Å; T466-S469 VanDerWaalsContact O-N 3.11Å; T466-S469 PolarHBondContact O-OG 3.45Å
467L84.4Confident88.2Confident43 Ų4349.8 Ų49.823%0.22527%0.267CS..Hα-helixtrans-58.3-23.6-177-61.7171.5000113.4R19 I20 C23 T465 S469 E470 A471R19-L467 HydrophobicContact CB-CD1 4.39Å; R19-L467 HydrophobicContact CB-CD2 4.34Å; I20-L467 HydrophobicContact CD1-CB 4.38Å; I20-L467 HydrophobicContact CG1-CB 3.66Å; I20-L467 HydrophobicContact CG1-CD1 4.34Å; C23-L467 HydrophobicContact CB-CD1 4.08Å; C23-L467 VanDerWaalsContact SG-CD1 3.52Å; T465-L467 PolarHBondContact O-N 3.41Å; T465-L467 VanDerWaalsContact O-N 3.15Å; L467-S469 PolarHBondContact O-N 3.35Å; L467-E470 PolarHBondContact O-N 3.39Å; L467-A471 WeakPolarHBondContact O-CB 3.26Å; L467-A471 PolarHBondContact O-N 3.03Å
468K87.3Confident88.2Confident81 Ų8150.2 Ų50.235%0.35227%0.265SS..Hα-helixtrans-61.2-42177-62.2175.6171.8-1740112.2T466 A471 I472 L536 N553T466-K468 HydrophobicContact CG2-CB 3.93Å; T466-K468 HydrophobicContact CG2-CD 4.33Å; T466-K468 HydrophobicContact CG2-CG 4.16Å; T466-K468 PolarHBondContact O-N 3.44Å; K468-A471 WeakPolarHBondContact O-CB 3.31Å; K468-A471 PolarHBondContact O-N 3.34Å; K468-I472 WeakPolarHBondContact O-CD1 3.34Å; K468-I472 VanDerWaalsContact O-CG1 3.26Å; K468-I472 WeakPolarHBondContact O-CG1 3.39Å; K468-I472 PolarHBondContact O-N 2.82Å; K468-L536 HydrophobicContact CB-CD2 4.41Å; K468-N553 PolarHBondContact NZ-O 3.49Å
469S85.6Confident88.3Confident37 Ų3748.6 Ų48.626%0.25925%0.25SC..Hα-helixtrans-69-41.1-179.358.10000111.6T466 L467 A471 I472 C473T466-S469 PolarHBondContact O-N 3.07Å; T466-S469 VanDerWaalsContact O-N 3.11Å; T466-S469 PolarHBondContact O-OG 3.45Å; L467-S469 PolarHBondContact O-N 3.35Å; S469-A471 VanDerWaalsContact C-N 3.31Å; S469-A471 PolarHBondContact O-N 3.02Å; S469-I472 PolarHBondContact O-N 3.39Å; S469-C473 PolarHBondContact O-N 3.32Å; S469-C473 PolarHBondContact O-SG 2.97Å
470E86.7Confident88.3Confident78 Ų7849.6 Ų49.636%0.36425%0.254SS..Hα-helixtrans-62.3-39.7174.5-66.2-171.4166.800111.7T465 L467 C473 A474T465-E470 HydrophobicContact CG2-CG 3.94Å; T465-E470 WeakPolarHBondContact CG2-OE1 3.24Å; L467-E470 PolarHBondContact O-N 3.39Å; E470-C473 PolarHBondContact O-N 3.48Å; E470-A474 WeakPolarHBondContact O-CB 3.42Å; E470-A474 PolarHBondContact O-N 3Å
471A89.6Confident88.4Confident0 Ų049.1 Ų49.10%025%0.251CS..Hα-helixtrans-59.6-49.1175.700000112M17 I20 L467 K468 S469 C473 A474 C475 L536M17-A471 HydrophobicContact SD-CB 4.41Å; I20-A471 HydrophobicContact CD1-CB 3.37Å; L467-A471 WeakPolarHBondContact O-CB 3.26Å; L467-A471 PolarHBondContact O-N 3.03Å; K468-A471 WeakPolarHBondContact O-CB 3.31Å; K468-A471 PolarHBondContact O-N 3.34Å; S469-A471 VanDerWaalsContact C-N 3.31Å; S469-A471 PolarHBondContact O-N 3.02Å; A471-C473 VanDerWaalsContact C-N 3.32Å; A471-C473 PolarHBondContact O-N 2.98Å; A471-A474 CarbonylContact O-C 3.49Å; A471-A474 PolarHBondContact O-N 3.35Å; A471-A474 VanDerWaalsContact O-N 3.1Å; A471-C475 PolarHBondContact O-N 2.98Å; A471-C475 PolarHBondContact O-SG 2.9Å; A471-L536 HydrophobicContact CB-CD1 4.21Å; A471-L536 HydrophobicContact CB-CD2 4.19Å
472I90.5Very high88.6Confident2 Ų242.1 Ų42.11%0.0122%0.221CC..Hα-helixtrans-62.4-42-179.5-65.4159.7000110.1K468 S469 A474 C475 K480 L483 L536 I559 C562 L563K468-I472 WeakPolarHBondContact O-CD1 3.34Å; K468-I472 VanDerWaalsContact O-CG1 3.26Å; K468-I472 WeakPolarHBondContact O-CG1 3.39Å; K468-I472 PolarHBondContact O-N 2.82Å; S469-I472 PolarHBondContact O-N 3.39Å; I472-A474 VanDerWaalsContact C-N 3.29Å; I472-A474 PolarHBondContact O-N 2.96Å; I472-C475 WeakPolarHBondContact O-CB 3.33Å; I472-C475 PolarHBondContact O-N 3.24Å; I472-K480 WeakPolarHBondContact O-CE 3.13Å; I472-L483 HydrophobicContact CG2-CD1 4.34Å; I472-L536 HydrophobicContact CD1-CD2 4.44Å; I472-L536 HydrophobicContact CG1-CD1 4.16Å; I472-L536 HydrophobicContact CG1-CD2 4.01Å; I472-I559 HydrophobicContact CD1-CG1 3.83Å; I472-I559 HydrophobicContact CG2-CG2 4.48Å; I472-C562 HydrophobicContact CB-CB 4.12Å; I472-C562 HydrophobicContact CG2-CB 3.6Å; I472-L563 HydrophobicContact CG2-CD2 4.46Å
473C87.4Confident88.9Confident38 Ų3839.1 Ų39.126%0.25721%0.207SC..Hα-helixtrans-60.7-39.2174.8-74.90000112.1S469 E470 A471 K480 R566S469-C473 PolarHBondContact O-N 3.32Å; S469-C473 PolarHBondContact O-SG 2.97Å; E470-C473 PolarHBondContact O-N 3.48Å; A471-C473 VanDerWaalsContact C-N 3.32Å; A471-C473 PolarHBondContact O-N 2.98Å; C473-K480 WeakPolarHBondContact O-CE 3.36Å; C473-K480 PolarHBondContact O-NZ 3.09Å; C473-R566 PolarHBondContact O-NH1 3.13Å
474A88.6Confident89.2Confident18 Ų1838 Ų3815%0.14920%0.198CC..Hα-helixtrans-81.1-6.2179.600000115K13 E470 A471 I472K13-A474 HydrophobicContact CB-CB 4.21Å; K13-A474 WeakPolarHBondContact CD-O 3.32Å; K13-A474 HydrophobicContact CG-CB 4.24Å; E470-A474 WeakPolarHBondContact O-CB 3.42Å; E470-A474 PolarHBondContact O-N 3Å; A471-A474 CarbonylContact O-C 3.49Å; A471-A474 PolarHBondContact O-N 3.35Å; A471-A474 VanDerWaalsContact O-N 3.1Å; I472-A474 VanDerWaalsContact C-N 3.29Å; I472-A474 PolarHBondContact O-N 2.96Å
475C89.7Confident89.7Confident8 Ų833.6 Ų33.65%0.05418%0.179CC..SBendtrans-59.6151.5176.8-78.30000112.8A471 I472 E479 K480A471-C475 PolarHBondContact O-N 2.98Å; A471-C475 PolarHBondContact O-SG 2.9Å; I472-C475 WeakPolarHBondContact O-CB 3.33Å; I472-C475 PolarHBondContact O-N 3.24Å; C475-E479 VanDerWaalsContact CA-OE2 3.3Å; C475-E479 WeakPolarHBondContact CA-OE2 3.15Å; C475-E479 HydrophobicContact CB-CB 3.8Å; C475-K480 HydrophobicContact CB-CG 3.91Å; C475-K480 VanDerWaalsContact O-CE 3.26Å; C475-K480 WeakPolarHBondContact O-CE 3.39Å
476S91.9Very high90.2Very high46 Ų4631.8 Ų31.832%0.32217%0.168SC..  trans-66.4164.117377.20000111.1Y478 E479 K480S476-Y478 VanDerWaalsContact C-N 3.33Å; S476-Y478 PolarHBondContact O-N 2.85Å; S476-E479 PolarHBondContact N-OE2 3.46Å; S476-E479 PolarHBondContact O-N 3.01Å; S476-E479 WeakPolarHBondContact OG-CB 3.34Å; S476-E479 VanDerWaalsContact OG-CG 3.28Å; S476-E479 WeakPolarHBondContact OG-CG 3.46Å; S476-E479 PolarHBondContact OG-N 3.32Å; S476-E479 VanDerWaalsContact OG-N 3.15Å; S476-E479 PolarHBondContact OG-OE2 3.48Å; S476-K480 WeakPolarHBondContact O-CG 3.39Å; S476-K480 PolarHBondContact O-N 3.03Å
477L91Very high90.8Very high68 Ų6827.8 Ų27.836%0.35614%0.143SC..Hα-helixtrans-53.5-50.5176.1179.164000111.6E479 K480 L481 V516 L569L477-E479 PolarHBondContact O-N 3.33Å; L477-K480 WeakPolarHBondContact O-CB 3.46Å; L477-K480 PolarHBondContact O-N 3.32Å; L477-L481 HydrophobicContact CD1-CD1 4.44Å; L477-L481 HydrophobicContact CG-CD1 4.2Å; L477-L481 WeakPolarHBondContact O-CG 3.35Å; L477-L481 PolarHBondContact O-N 2.6Å; L477-V516 HydrophobicContact CD2-CG1 4.4Å; L477-V516 HydrophobicContact CD2-CG2 4.15Å; L477-L569 HydrophobicContact CD1-CD1 4.41Å; L477-L569 HydrophobicContact CD1-CD2 3.28Å; L477-L569 HydrophobicContact CD1-CG 4.49Å
478Y93.2Very high91.2Very high73 Ų7327.1 Ų27.129%0.28614%0.144SC..Hα-helixtrans-66.5-35.1179.9-66.6-75.6000113.1S476 K480 F482 M507 V516 P519 I527S476-Y478 VanDerWaalsContact C-N 3.33Å; S476-Y478 PolarHBondContact O-N 2.85Å; Y478-K480 VanDerWaalsContact C-N 3.33Å; Y478-F482 WeakPolarHBondContact O-CB 3.01Å; Y478-F482 PolarHBondContact O-N 2.73Å; Y478-M507 HydrophobicContact CD1-CE 4.2Å; Y478-V516 HydrophobicContact CD1-CG1 4.49Å; Y478-V516 HydrophobicContact CE1-CG1 3.53Å; Y478-V516 WeakPolarHBondContact OH-CG1 3.33Å; Y478-P519 HydrophobicContact CD1-CG 4.25Å; Y478-P519 HydrophobicContact CE1-CG 4.44Å; Y478-I527 HydrophobicContact CG-CD1 4.46Å
479E93.7Very high91.5Very high10 Ų1023.5 Ų23.55%0.04713%0.128CC..Hα-helixtrans-63-40.9172.9-77.4168.7171.700111K13 C475 S476 L477 F482 L483 I527 S530 L531K13-E479 IonicContact NZ-OE1 2.65Å; K13-E479 PolarHBondContact NZ-OE1 3.04Å; K13-E479 IonicContact NZ-OE2 3.08Å; K13-E479 PolarHBondContact NZ-OE2 3.02Å; C475-E479 VanDerWaalsContact CA-OE2 3.3Å; C475-E479 WeakPolarHBondContact CA-OE2 3.15Å; C475-E479 HydrophobicContact CB-CB 3.8Å; S476-E479 PolarHBondContact N-OE2 3.46Å; S476-E479 PolarHBondContact O-N 3.01Å; S476-E479 WeakPolarHBondContact OG-CB 3.34Å; S476-E479 VanDerWaalsContact OG-CG 3.28Å; S476-E479 WeakPolarHBondContact OG-CG 3.46Å; S476-E479 PolarHBondContact OG-N 3.32Å; S476-E479 VanDerWaalsContact OG-N 3.15Å; S476-E479 PolarHBondContact OG-OE2 3.48Å; L477-E479 PolarHBondContact O-N 3.33Å; E479-F482 PolarHBondContact O-N 2.88Å; E479-L483 WeakPolarHBondContact O-CG 3.23Å; E479-L483 PolarHBondContact O-N 3.47Å; E479-I527 HydrophobicContact CB-CG2 4.48Å; E479-I527 HydrophobicContact CG-CG2 3.92Å; E479-S530 PolarHBondContact OE1-OG 3.34Å; E479-L531 HydrophobicContact CB-CD1 4.5Å; E479-L531 HydrophobicContact CB-CD2 4.14Å; E479-L531 HydrophobicContact CB-CG 4.49Å; E479-L531 HydrophobicContact CG-CD2 4.17Å; E479-L531 HydrophobicContact CG-CG 4.23Å
480K92.6Very high91.8Very high21 Ų2121.9 Ų21.99%0.09112%0.117CC..Hα-helixtrans-67.9-43.9176.9-71.8178.7-178.7175.80112.7I472 C473 C475 S476 L477 Y478 F482 L483 R484 L563I472-K480 WeakPolarHBondContact O-CE 3.13Å; C473-K480 WeakPolarHBondContact O-CE 3.36Å; C473-K480 PolarHBondContact O-NZ 3.09Å; C475-K480 HydrophobicContact CB-CG 3.91Å; C475-K480 VanDerWaalsContact O-CE 3.26Å; C475-K480 WeakPolarHBondContact O-CE 3.39Å; S476-K480 WeakPolarHBondContact O-CG 3.39Å; S476-K480 PolarHBondContact O-N 3.03Å; L477-K480 WeakPolarHBondContact O-CB 3.46Å; L477-K480 PolarHBondContact O-N 3.32Å; Y478-K480 VanDerWaalsContact C-N 3.33Å; K480-F482 VanDerWaalsContact C-N 3.28Å; K480-F482 PolarHBondContact O-N 3.38Å; K480-L483 PolarHBondContact O-N 3.18Å; K480-R484 PolarHBondContact O-N 2.82Å; K480-L563 HydrophobicContact CB-CD2 3.64Å; K480-L563 HydrophobicContact CD-CD2 4.01Å; K480-L563 HydrophobicContact CG-CD2 3.63Å
481L92.9Very high92Very high1 Ų124.4 Ų24.41%0.00513%0.129CC..Hα-helixtrans-61.5-39.5174.8-71.3173.4000111.3L477 R484 A485 E514L477-L481 HydrophobicContact CD1-CD1 4.44Å; L477-L481 HydrophobicContact CG-CD1 4.2Å; L477-L481 WeakPolarHBondContact O-CG 3.35Å; L477-L481 PolarHBondContact O-N 2.6Å; L481-R484 PolarHBondContact O-N 3.32Å; L481-A485 WeakPolarHBondContact O-CB 3.34Å; L481-A485 PolarHBondContact O-N 2.94Å; L481-E514 HydrophobicContact CD2-CG 3.93Å
482F94.2Very high92.1Very high0 Ų027.9 Ų27.90%016%0.157CC..Hα-helixtrans-63.7-43.1174.6-172.3-101.5000112.1Y478 E479 K480 R484 A485 V486 L500 C503 M507 V524 I527 C528 L531 L537Y478-F482 WeakPolarHBondContact O-CB 3.01Å; Y478-F482 PolarHBondContact O-N 2.73Å; E479-F482 PolarHBondContact O-N 2.88Å; K480-F482 VanDerWaalsContact C-N 3.28Å; K480-F482 PolarHBondContact O-N 3.38Å; F482-R484 PolarHBondContact O-N 3Å; F482-A485 WeakPolarHBondContact O-CB 3.4Å; F482-A485 PolarHBondContact O-N 3.49Å; F482-V486 HydrophobicContact CD1-CG2 4.16Å; F482-V486 HydrophobicContact CE1-CG2 3.84Å; F482-V486 HydrophobicContact CZ-CG2 4.14Å; F482-V486 WeakPolarHBondContact O-CG2 3.41Å; F482-V486 PolarHBondContact O-N 3.35Å; F482-L500 HydrophobicContact CE2-CD1 4.02Å; F482-L500 HydrophobicContact CZ-CD1 3.68Å; F482-C503 HydrophobicContact CE2-CB 4.2Å; F482-C503 HydrophobicContact CZ-CB 4.37Å; F482-M507 HydrophobicContact CB-CE 4.26Å; F482-M507 HydrophobicContact CB-SD 4.24Å; F482-M507 HydrophobicContact CD2-CG 4.41Å; F482-M507 HydrophobicContact CD2-SD 3.65Å; F482-M507 HydrophobicContact CG-SD 4.43Å; F482-V524 HydrophobicContact CD2-CG1 3.97Å; F482-V524 HydrophobicContact CE2-CG1 3.68Å; F482-I527 HydrophobicContact CB-CG2 4.01Å; F482-I527 HydrophobicContact CD1-CG2 4.45Å; F482-I527 HydrophobicContact CG-CG2 4.2Å; F482-C528 HydrophobicContact CE1-CB 4.31Å; F482-C528 HydrophobicContact CZ-CB 4.18Å; F482-L531 HydrophobicContact CB-CD1 4.48Å; F482-L531 HydrophobicContact CD1-CD1 3.56Å; F482-L531 HydrophobicContact CE1-CD1 4.3Å; F482-L531 HydrophobicContact CG-CD1 4.43Å; F482-L537 HydrophobicContact CD1-CD1 4.05Å; F482-L537 HydrophobicContact CE1-CD1 3.55Å
483L93.8Very high92Very high2 Ų231.9 Ų31.91%0.0117%0.172CC..Hα-helixtrans-61.7-41174.4-71.3174000112.3I472 E479 K480 A485 V486 I487 L531 L537 L552 I559I472-L483 HydrophobicContact CG2-CD1 4.34Å; E479-L483 WeakPolarHBondContact O-CG 3.23Å; E479-L483 PolarHBondContact O-N 3.47Å; K480-L483 PolarHBondContact O-N 3.18Å; L483-A485 VanDerWaalsContact C-N 3.34Å; L483-A485 PolarHBondContact O-N 3.34Å; L483-V486 PolarHBondContact O-N 3.39Å; L483-I487 WeakPolarHBondContact O-CG1 3.5Å; L483-I487 PolarHBondContact O-N 3.26Å; L483-L531 HydrophobicContact CD1-CD2 4.43Å; L483-L531 HydrophobicContact CD2-CD1 4.18Å; L483-L531 HydrophobicContact CG-CD1 4.18Å; L483-L537 HydrophobicContact CD2-CD2 4.13Å; L483-L537 HydrophobicContact CD2-CG 4.43Å; L483-L552 HydrophobicContact CD2-CD2 4.15Å; L483-I559 HydrophobicContact CB-CG2 4.21Å; L483-I559 HydrophobicContact CD1-CG2 4.43Å
484R93Very high92.1Very high54 Ų5435.5 Ų35.520%0.20420%0.198CC..Hα-helixtrans-59.6-43.8172-72.3-172.2175.2163.9-0.9111.6K480 L481 F482 V486 I487 A488 L510 E514 L563K480-R484 PolarHBondContact O-N 2.82Å; L481-R484 PolarHBondContact O-N 3.32Å; F482-R484 PolarHBondContact O-N 3Å; R484-V486 PolarHBondContact O-N 3.11Å; R484-I487 PolarHBondContact O-N 3.38Å; R484-A488 WeakPolarHBondContact O-CB 3.44Å; R484-A488 PolarHBondContact O-N 2.98Å; R484-L510 HydrophobicContact CB-CD1 3.79Å; R484-E514 IonicContact NH1-OE1 3.93Å; R484-E514 PolarHBondContact NH1-OE1 3.23Å; R484-L563 HydrophobicContact CG-CD1 3.57Å; R484-L563 PolarHBondContact NH2-O 3.41Å
485A93.3Very high92.1Very high0 Ų037.4 Ų37.40%021%0.208CC..Hα-helixtrans-61.5-42.3178.600000112.4L481 F482 L483 A488 E489 Q506 M507 L510L481-A485 WeakPolarHBondContact O-CB 3.34Å; L481-A485 PolarHBondContact O-N 2.94Å; F482-A485 WeakPolarHBondContact O-CB 3.4Å; F482-A485 PolarHBondContact O-N 3.49Å; L483-A485 VanDerWaalsContact C-N 3.34Å; L483-A485 PolarHBondContact O-N 3.34Å; A485-A488 PolarHBondContact O-N 3.13Å; A485-E489 PolarHBondContact O-N 2.74Å; A485-Q506 HydrophobicContact CB-CB 3.94Å; A485-M507 HydrophobicContact CB-CB 3.87Å; A485-L510 HydrophobicContact CB-CD1 3.97Å
486V93.9Very high92.1Very high0 Ų044.1 Ų44.10%024%0.238CC..Hα-helixtrans-64.4-42.4176.31760000110.9F482 L483 R484 E489 F490 C503 L552F482-V486 HydrophobicContact CD1-CG2 4.16Å; F482-V486 HydrophobicContact CE1-CG2 3.84Å; F482-V486 HydrophobicContact CZ-CG2 4.14Å; F482-V486 WeakPolarHBondContact O-CG2 3.41Å; F482-V486 PolarHBondContact O-N 3.35Å; L483-V486 PolarHBondContact O-N 3.39Å; R484-V486 PolarHBondContact O-N 3.11Å; V486-E489 PolarHBondContact O-N 2.96Å; V486-F490 HydrophobicContact CG1-CD1 4.2Å; V486-F490 HydrophobicContact CG1-CE1 3.78Å; V486-F490 HydrophobicContact CG1-CE2 4.18Å; V486-F490 HydrophobicContact CG1-CZ 3.78Å; V486-F490 VanDerWaalsContact O-CD1 3.32Å; V486-F490 WeakPolarHBondContact O-CD1 3.22Å; V486-F490 WeakPolarHBondContact O-CG 3.41Å; V486-F490 PolarHBondContact O-N 3.1Å; V486-C503 HydrophobicContact CG2-CB 4.26Å; V486-L552 HydrophobicContact CG1-CD1 4.16Å; V486-L552 HydrophobicContact CG1-CD2 3.91Å; V486-L552 HydrophobicContact CG1-CG 3.91Å
487I93.8Very high92.1Very high3 Ų345.1 Ų45.12%0.01524%0.238CC..Hα-helixtrans-63.7-43.3176.9-68.2166.3000111.1L483 R484 E489 F490 Q491 L552 I559 L560L483-I487 WeakPolarHBondContact O-CG1 3.5Å; L483-I487 PolarHBondContact O-N 3.26Å; R484-I487 PolarHBondContact O-N 3.38Å; I487-E489 VanDerWaalsContact C-N 3.34Å; I487-E489 PolarHBondContact O-N 3.28Å; I487-F490 PolarHBondContact O-N 2.69Å; I487-Q491 HydrophobicContact CG2-CG 4.36Å; I487-Q491 WeakPolarHBondContact O-CG 3.36Å; I487-Q491 PolarHBondContact O-N 3Å; I487-L552 HydrophobicContact CG1-CD1 4.09Å; I487-I559 HydrophobicContact CD1-CB 3.78Å; I487-I559 HydrophobicContact CD1-CD1 4.26Å; I487-I559 HydrophobicContact CD1-CG2 3.47Å; I487-I559 VanDerWaalsContact CD1-CG2 3.47Å; I487-L560 HydrophobicContact CD1-CD2 4.17Å; I487-L560 HydrophobicContact CD1-CG 4.24Å; I487-L560 HydrophobicContact CG2-CD1 4.48Å; I487-L560 HydrophobicContact CG2-CD2 4.22Å; I487-L560 HydrophobicContact CG2-CG 4.47Å
488A92.5Very high92.2Very high29 Ų2942 Ų4224%0.2422%0.222CC..Hα-helixtrans-61.1-42.1176.600000111.8R484 A485 F490 Q491 A492R484-A488 WeakPolarHBondContact O-CB 3.44Å; R484-A488 PolarHBondContact O-N 2.98Å; A485-A488 PolarHBondContact O-N 3.13Å; A488-F490 PolarHBondContact O-N 3.12Å; A488-Q491 PolarHBondContact O-N 3.34Å; A488-A492 WeakPolarHBondContact O-CB 3.49Å; A488-A492 PolarHBondContact O-N 3.47Å
489E92.9Very high92.1Very high5 Ų545 Ų452%0.02323%0.233CC..Hα-helixtrans-63-39.9173.6-82.2-61109.800112.8A485 V486 I487 A492 R493 A498 R502 Q506A485-E489 PolarHBondContact O-N 2.74Å; V486-E489 PolarHBondContact O-N 2.96Å; I487-E489 VanDerWaalsContact C-N 3.34Å; I487-E489 PolarHBondContact O-N 3.28Å; E489-A492 PolarHBondContact O-N 3.21Å; E489-R493 PolarHBondContact O-N 2.92Å; E489-R493 IonicContact OE1-NH2 3.42Å; E489-R493 IonicContact OE2-CZ 3.23Å; E489-R493 IonicContact OE2-NH1 2.95Å; E489-R493 PolarHBondContact OE2-NH1 3.37Å; E489-R493 IonicContact OE2-NH2 2.71Å; E489-R493 PolarHBondContact OE2-NH2 3.38Å; E489-A498 HydrophobicContact CB-CB 4.26Å; E489-R502 WeakPolarHBondContact OE2-CB 3.48Å; E489-Q506 HydrophobicContact CG-CB 4.28Å; E489-Q506 HydrophobicContact CG-CG 3.53Å; E489-Q506 VanDerWaalsContact OE1-CD 3.27Å; E489-Q506 WeakPolarHBondContact OE1-CG 3.42Å; E489-Q506 PolarHBondContact OE1-NE2 3.23Å
490F93Very high92Very high4 Ų444.6 Ų44.62%0.01823%0.231CC..Hα-helixtrans-69-36.1178.9-7612.9000111.8V486 I487 A488 S494 T495 E496 A498 L552V486-F490 HydrophobicContact CG1-CD1 4.2Å; V486-F490 HydrophobicContact CG1-CE1 3.78Å; V486-F490 HydrophobicContact CG1-CE2 4.18Å; V486-F490 HydrophobicContact CG1-CZ 3.78Å; V486-F490 VanDerWaalsContact O-CD1 3.32Å; V486-F490 WeakPolarHBondContact O-CD1 3.22Å; V486-F490 WeakPolarHBondContact O-CG 3.41Å; V486-F490 PolarHBondContact O-N 3.1Å; I487-F490 PolarHBondContact O-N 2.69Å; A488-F490 PolarHBondContact O-N 3.12Å; F490-S494 WeakPolarHBondContact O-CA 3.26Å; F490-S494 PolarHBondContact O-N 3.41Å; F490-T495 WeakPolarHBondContact CB-O 3.3Å; F490-T495 WeakPolarHBondContact CG-O 3.46Å; F490-E496 VanDerWaalsContact CE2-O 3.23Å; F490-E496 WeakPolarHBondContact CE2-O 3.27Å; F490-E496 WeakPolarHBondContact CZ-O 3.1Å; F490-A498 HydrophobicContact CD1-CB 3.95Å; F490-A498 HydrophobicContact CE1-CB 3.54Å; F490-L552 HydrophobicContact CD2-CD1 3.63Å; F490-L552 HydrophobicContact CD2-CG 4.26Å; F490-L552 HydrophobicContact CE2-CB 4.11Å; F490-L552 HydrophobicContact CE2-CD1 3.5Å; F490-L552 VanDerWaalsContact CE2-CD1 3.5Å; F490-L552 HydrophobicContact CE2-CG 3.6Å; F490-L552 HydrophobicContact CZ-CD1 4.44Å; F490-L552 HydrophobicContact CZ-CG 4.22Å
491Q91.4Very high91.9Very high131 Ų13145.8 Ų45.861%0.61224%0.238SC*.Hα-helixtrans-68-43.6173.8-74.8175.8-24.200111.1I487 A488 R493I487-Q491 HydrophobicContact CG2-CG 4.36Å; I487-Q491 WeakPolarHBondContact O-CG 3.36Å; I487-Q491 PolarHBondContact O-N 3Å; A488-Q491 PolarHBondContact O-N 3.34Å; Q491-R493 VanDerWaalsContact C-N 3.29Å; Q491-R493 PolarHBondContact O-N 3.1Å
492A90.8Very high91.9Very high73 Ų7350 Ų5060%0.60325%0.254SS*.Hα-helixtrans-65.7-28.6-177.900000113.8A488 E489A488-A492 WeakPolarHBondContact O-CB 3.49Å; A488-A492 PolarHBondContact O-N 3.47Å; E489-A492 PolarHBondContact O-N 3.21Å
493R88.8Confident91.9Very high85 Ų8550 Ų5032%0.32125%0.254SS..Hα-helixtrans-114.4-2.6-176.4-62.7-146.4-168.578.319.3115.5E489 Q491 T495 R502E489-R493 PolarHBondContact O-N 2.92Å; E489-R493 IonicContact OE1-NH2 3.42Å; E489-R493 IonicContact OE2-CZ 3.23Å; E489-R493 IonicContact OE2-NH1 2.95Å; E489-R493 PolarHBondContact OE2-NH1 3.37Å; E489-R493 IonicContact OE2-NH2 2.71Å; E489-R493 PolarHBondContact OE2-NH2 3.38Å; Q491-R493 VanDerWaalsContact C-N 3.29Å; Q491-R493 PolarHBondContact O-N 3.1Å; R493-T495 HydrophobicContact CB-CG2 4.26Å; R493-T495 PolarHBondContact O-N 3.41Å; R493-T495 VanDerWaalsContact O-N 3.09Å; R493-R502 VanDerWaalsContact CZ-CD 3.43Å
494S88.9Confident91.8Very high115 Ų11550.1 Ų50.180%0.80426%0.255SS*.THydrogen-bonded Turntrans51.230.2-172.253.90000113.4F490F490-S494 WeakPolarHBondContact O-CA 3.26Å; F490-S494 PolarHBondContact O-N 3.41Å
495T89.7Confident91.9Very high57 Ų5755.4 Ų55.435%0.3528%0.275SS..  trans-109.3148.8176.6580000110.9F490 R493 E497F490-T495 WeakPolarHBondContact CB-O 3.3Å; F490-T495 WeakPolarHBondContact CG-O 3.46Å; R493-T495 HydrophobicContact CB-CG2 4.26Å; R493-T495 PolarHBondContact O-N 3.41Å; R493-T495 VanDerWaalsContact O-N 3.09Å; T495-E497 VanDerWaalsContact C-N 3.29Å; T495-E497 WeakPolarHBondContact CB-O 3.46Å; T495-E497 PolarHBondContact OG1-O 3.21Å
496E89.7Confident91.9Very high149 Ų14958.5 Ų58.570%0.69629%0.289SS*.SBendtrans-87.7-2.1173.1-56.9-161.5149.700113.2F490F490-E496 VanDerWaalsContact CE2-O 3.23Å; F490-E496 WeakPolarHBondContact CE2-O 3.27Å; F490-E496 WeakPolarHBondContact CZ-O 3.1Å
497E91.8Very high91.9Very high67 Ų6758.5 Ų58.531%0.31329%0.289SS..EExtended strand (participates in β ladder)trans-124.5140.1177-77.8167.8-135.400110.6T495 R551T495-E497 VanDerWaalsContact C-N 3.29Å; T495-E497 WeakPolarHBondContact CB-O 3.46Å; T495-E497 PolarHBondContact OG1-O 3.21Å; E497-R551 VanDerWaalsContact CD-NH2 3.31Å; E497-R551 HydrophobicContact CG-CG 3.38Å; E497-R551 IonicContact OE1-CZ 2.96Å; E497-R551 IonicContact OE1-NE 3.1Å; E497-R551 PolarHBondContact OE1-NE 2.92Å; E497-R551 IonicContact OE1-NH2 3.88Å; E497-R551 PolarHBondContact OE1-NH2 3.42Å; E497-R551 IonicContact OE2-NE 2.84Å; E497-R551 IonicContact OE2-NH2 3.79Å
498A91.5Very high91.9Very high3 Ų360.6 Ų60.63%0.02530%0.298CS..EExtended strand (participates in β ladder)trans-134.4144.6169.300000110.8E489 F490 C503 V550E489-A498 HydrophobicContact CB-CB 4.26Å; F490-A498 HydrophobicContact CD1-CB 3.95Å; F490-A498 HydrophobicContact CE1-CB 3.54Å; A498-C503 VanDerWaalsContact CB-SG 3.57Å; A498-V550 PolarHBondContact N-O 2.81Å; A498-V550 VanDerWaalsContact N-O 3.14Å; A498-V550 PolarHBondContact O-N 3.43Å
499R91.7Very high92Very high137 Ų13761.5 Ų61.552%0.51731%0.306SS..EExtended strand (participates in β ladder)trans-70.9137.2168.4-67.2-179.1-179.31661.5109.4D501 R502 C503 L549R499-D501 VanDerWaalsContact C-N 3.26Å; R499-D501 PolarHBondContact O-N 2.78Å; R499-R502 HydrophobicContact CB-CG 4.26Å; R499-R502 WeakPolarHBondContact O-CB 3.34Å; R499-R502 PolarHBondContact O-N 2.98Å; R499-C503 PolarHBondContact O-N 3.18Å; R499-L549 HydrophobicContact CG-CD2 3.86Å
500L91.8Very high92Very high0 Ų063.1 Ų63.10%031%0.314CS..Hα-helixtrans-56-38.5-178.5-17868000112.7F482 R502 C503 I504 F525 C528 M548 V550F482-L500 HydrophobicContact CE2-CD1 4.02Å; F482-L500 HydrophobicContact CZ-CD1 3.68Å; L500-R502 PolarHBondContact O-N 2.93Å; L500-R502 VanDerWaalsContact O-N 3.12Å; L500-C503 WeakPolarHBondContact O-CB 3.32Å; L500-C503 PolarHBondContact O-N 2.9Å; L500-C503 VanDerWaalsContact O-N 3.15Å; L500-I504 HydrophobicContact CD1-CG1 4.35Å; L500-I504 HydrophobicContact CD2-CD1 4.22Å; L500-I504 HydrophobicContact CG-CD1 3.82Å; L500-I504 HydrophobicContact CG-CG1 4.16Å; L500-I504 VanDerWaalsContact O-CG1 3.29Å; L500-I504 WeakPolarHBondContact O-CG1 3.24Å; L500-I504 PolarHBondContact O-N 3.49Å; L500-F525 HydrophobicContact CD2-CD1 3.69Å; L500-F525 HydrophobicContact CD2-CE1 3.21Å; L500-F525 HydrophobicContact CD2-CZ 3.71Å; L500-C528 HydrophobicContact CD1-CB 4.47Å; L500-M548 HydrophobicContact CB-CB 4.41Å; L500-M548 HydrophobicContact CD2-CE 4.03Å; L500-M548 PolarHBondContact N-O 3.34Å; L500-V550 HydrophobicContact CB-CG2 4.32Å; L500-V550 HydrophobicContact CD1-CG2 4.24Å
501D91.7Very high92Very high47 Ų4762.9 Ų62.925%0.25131%0.314SS..Hα-helixtrans-47.4-44174.9-17050.2000112.5R499 I504 R505 I546R499-D501 VanDerWaalsContact C-N 3.26Å; R499-D501 PolarHBondContact O-N 2.78Å; D501-I504 WeakPolarHBondContact O-CB 3.47Å; D501-I504 PolarHBondContact O-N 2.97Å; D501-R505 WeakPolarHBondContact O-CG 3.35Å; D501-R505 PolarHBondContact O-N 3.14Å; D501-R505 VanDerWaalsContact O-N 3.13Å; D501-R505 IonicContact OD2-CZ 3.33Å; D501-R505 IonicContact OD2-NE 3.53Å; D501-R505 PolarHBondContact OD2-NE 3.06Å; D501-R505 VanDerWaalsContact OD2-NE 3.08Å; D501-R505 IonicContact OD2-NH2 2.81Å; D501-R505 PolarHBondContact OD2-NH2 2.88Å; D501-I546 HydrophobicContact CB-CG2 3.5Å; D501-I546 VanDerWaalsContact CB-CG2 3.5Å; D501-I546 PolarHBondContact N-O 3.49Å; D501-I546 WeakPolarHBondContact OD1-CG2 3.39Å
502R92.6Very high92.2Very high88 Ų8865.7 Ų65.733%0.33232%0.318SS..Hα-helixtrans-78.4-38.3-172.1-52.5178.9161.5-174.3-4.3110.3E489 R493 R499 L500 I504 R505 Q506E489-R502 WeakPolarHBondContact OE2-CB 3.48Å; R493-R502 VanDerWaalsContact CZ-CD 3.43Å; R499-R502 HydrophobicContact CB-CG 4.26Å; R499-R502 WeakPolarHBondContact O-CB 3.34Å; R499-R502 PolarHBondContact O-N 2.98Å; L500-R502 PolarHBondContact O-N 2.93Å; L500-R502 VanDerWaalsContact O-N 3.12Å; R502-I504 VanDerWaalsContact C-N 3.31Å; R502-I504 PolarHBondContact O-N 3.47Å; R502-R505 PolarHBondContact O-N 2.89Å; R502-Q506 PolarHBondContact O-N 3.4Å; R502-Q506 VanDerWaalsContact O-N 3.12Å
503C92.8Very high92.2Very high0 Ų069 Ų690%033%0.325CS..Hα-helixtrans-60.4-39.7169.9-57.90000111.9F482 V486 A498 R499 L500 Q506 M507F482-C503 HydrophobicContact CE2-CB 4.2Å; F482-C503 HydrophobicContact CZ-CB 4.37Å; V486-C503 HydrophobicContact CG2-CB 4.26Å; A498-C503 VanDerWaalsContact CB-SG 3.57Å; R499-C503 PolarHBondContact O-N 3.18Å; L500-C503 WeakPolarHBondContact O-CB 3.32Å; L500-C503 PolarHBondContact O-N 2.9Å; L500-C503 VanDerWaalsContact O-N 3.15Å; C503-Q506 PolarHBondContact O-N 3.38Å; C503-M507 WeakPolarHBondContact O-CB 3.46Å; C503-M507 PolarHBondContact O-N 3.01Å
504I93.5Very high92.3Very high5 Ų568.4 Ų68.43%0.02633%0.326CS..Hα-helixtrans-61.7-44.7176.1-68.5163.2000110.4L500 D501 R502 Q506 M507 F508 V524L500-I504 HydrophobicContact CD1-CG1 4.35Å; L500-I504 HydrophobicContact CD2-CD1 4.22Å; L500-I504 HydrophobicContact CG-CD1 3.82Å; L500-I504 HydrophobicContact CG-CG1 4.16Å; L500-I504 VanDerWaalsContact O-CG1 3.29Å; L500-I504 WeakPolarHBondContact O-CG1 3.24Å; L500-I504 PolarHBondContact O-N 3.49Å; D501-I504 WeakPolarHBondContact O-CB 3.47Å; D501-I504 PolarHBondContact O-N 2.97Å; R502-I504 VanDerWaalsContact C-N 3.31Å; R502-I504 PolarHBondContact O-N 3.47Å; I504-Q506 PolarHBondContact O-N 2.97Å; I504-M507 PolarHBondContact O-N 3.45Å; I504-F508 HydrophobicContact CG2-CD2 3.97Å; I504-F508 HydrophobicContact CG2-CE1 4.18Å; I504-F508 HydrophobicContact CG2-CE2 3.43Å; I504-F508 VanDerWaalsContact CG2-CE2 3.43Å; I504-F508 HydrophobicContact CG2-CZ 3.55Å; I504-F508 WeakPolarHBondContact O-CG 3.38Å; I504-F508 PolarHBondContact O-N 3.26Å; I504-V524 HydrophobicContact CG1-CB 4.47Å; I504-V524 HydrophobicContact CG1-CG1 3.81Å
505R93.6Very high92.4Very high166 Ų16666.2 Ų66.263%0.62632%0.322SS*.Hα-helixtrans-59.8-46177.7-68.2177.4-162.8-149.34.3111.9D501 R502 F508 A509D501-R505 WeakPolarHBondContact O-CG 3.35Å; D501-R505 PolarHBondContact O-N 3.14Å; D501-R505 VanDerWaalsContact O-N 3.13Å; D501-R505 IonicContact OD2-CZ 3.33Å; D501-R505 IonicContact OD2-NE 3.53Å; D501-R505 PolarHBondContact OD2-NE 3.06Å; D501-R505 VanDerWaalsContact OD2-NE 3.08Å; D501-R505 IonicContact OD2-NH2 2.81Å; D501-R505 PolarHBondContact OD2-NH2 2.88Å; R502-R505 PolarHBondContact O-N 2.89Å; R505-F508 PolarHBondContact O-N 3.47Å; R505-A509 PolarHBondContact O-N 3.43Å; R505-A509 VanDerWaalsContact O-N 3.09Å
506Q93.2Very high92.5Very high64 Ų6464.9 Ų64.930%0.29931%0.314SS..Hα-helixtrans-67.5-37176.6-66.8-59.4-1.800112.9A485 E489 R502 C503 I504 F508 A509 L510A485-Q506 HydrophobicContact CB-CB 3.94Å; E489-Q506 HydrophobicContact CG-CB 4.28Å; E489-Q506 HydrophobicContact CG-CG 3.53Å; E489-Q506 VanDerWaalsContact OE1-CD 3.27Å; E489-Q506 WeakPolarHBondContact OE1-CG 3.42Å; E489-Q506 PolarHBondContact OE1-NE2 3.23Å; R502-Q506 PolarHBondContact O-N 3.4Å; R502-Q506 VanDerWaalsContact O-N 3.12Å; C503-Q506 PolarHBondContact O-N 3.38Å; I504-Q506 PolarHBondContact O-N 2.97Å; Q506-F508 VanDerWaalsContact C-N 3.29Å; Q506-F508 PolarHBondContact O-N 3.47Å; Q506-A509 WeakPolarHBondContact O-CB 3.49Å; Q506-A509 PolarHBondContact O-N 3.32Å; Q506-L510 WeakPolarHBondContact O-CG 3.45Å; Q506-L510 PolarHBondContact O-N 2.94Å
507M94Very high92.6Very high0 Ų062.4 Ų62.40%031%0.31CS..Hα-helixtrans-59.9-43.9176-173.2-170.9-177.400110.7Y478 F482 A485 C503 I504 A509 L510 C511 P519 V524 I527Y478-M507 HydrophobicContact CD1-CE 4.2Å; F482-M507 HydrophobicContact CB-CE 4.26Å; F482-M507 HydrophobicContact CB-SD 4.24Å; F482-M507 HydrophobicContact CD2-CG 4.41Å; F482-M507 HydrophobicContact CD2-SD 3.65Å; F482-M507 HydrophobicContact CG-SD 4.43Å; A485-M507 HydrophobicContact CB-CB 3.87Å; C503-M507 WeakPolarHBondContact O-CB 3.46Å; C503-M507 PolarHBondContact O-N 3.01Å; I504-M507 PolarHBondContact O-N 3.45Å; M507-A509 PolarHBondContact O-N 2.84Å; M507-L510 PolarHBondContact O-N 3.36Å; M507-C511 WeakPolarHBondContact O-CB 3.28Å; M507-C511 PolarHBondContact O-N 2.85Å; M507-C511 PolarHBondContact O-SG 2.93Å; M507-P519 HydrophobicContact CE-CG 3.62Å; M507-P519 HydrophobicContact SD-CG 4.13Å; M507-V524 HydrophobicContact SD-CB 4.5Å; M507-V524 HydrophobicContact SD-CG1 3.97Å; M507-V524 HydrophobicContact SD-CG2 3.75Å; M507-I527 HydrophobicContact CE-CD1 4.08Å
508F94.5Very high92.6Very high47 Ų4762.1 Ų62.121%0.20632%0.315CS..Hα-helixtrans-65.8-36.4176.4-65.5-18.9000112.9I504 R505 Q506 R512 C518 P519 V524I504-F508 HydrophobicContact CG2-CD2 3.97Å; I504-F508 HydrophobicContact CG2-CE1 4.18Å; I504-F508 HydrophobicContact CG2-CE2 3.43Å; I504-F508 VanDerWaalsContact CG2-CE2 3.43Å; I504-F508 HydrophobicContact CG2-CZ 3.55Å; I504-F508 WeakPolarHBondContact O-CG 3.38Å; I504-F508 PolarHBondContact O-N 3.26Å; R505-F508 PolarHBondContact O-N 3.47Å; Q506-F508 VanDerWaalsContact C-N 3.29Å; Q506-F508 PolarHBondContact O-N 3.47Å; F508-R512 VanDerWaalsContact O-CG 3.29Å; F508-R512 WeakPolarHBondContact O-CG 3.34Å; F508-R512 PolarHBondContact O-N 3.17Å; F508-R512 VanDerWaalsContact O-N 3.11Å; F508-C518 HydrophobicContact CD1-CB 4.2Å; F508-C518 HydrophobicContact CE1-CB 4.49Å; F508-P519 HydrophobicContact CE1-CG 4.19Å; F508-P519 WeakPolarHBondContact CE1-O 3.42Å; F508-P519 WeakPolarHBondContact CZ-O 3.48Å; F508-V524 HydrophobicContact CE1-CG2 4.27Å
509A94.2Very high92.6Very high49 Ų4962.4 Ų62.441%0.40532%0.317SS..Hα-helixtrans-62-45.7173.300000111.6R505 Q506 M507 R512 L513R505-A509 PolarHBondContact O-N 3.43Å; R505-A509 VanDerWaalsContact O-N 3.09Å; Q506-A509 WeakPolarHBondContact O-CB 3.49Å; Q506-A509 PolarHBondContact O-N 3.32Å; M507-A509 PolarHBondContact O-N 2.84Å; A509-R512 PolarHBondContact O-N 3.31Å; A509-L513 PolarHBondContact O-N 3.18Å; A509-L513 VanDerWaalsContact O-N 3.13Å
510L93Very high92.6Very high38 Ų3859.7 Ų59.720%0.19932%0.315CS..Hα-helixtrans-66.5-41.7177-68.3177000112.5R484 A485 Q506 M507 R512 L513 E514R484-L510 HydrophobicContact CB-CD1 3.79Å; A485-L510 HydrophobicContact CB-CD1 3.97Å; Q506-L510 WeakPolarHBondContact O-CG 3.45Å; Q506-L510 PolarHBondContact O-N 2.94Å; M507-L510 PolarHBondContact O-N 3.36Å; L510-R512 VanDerWaalsContact C-N 3.27Å; L510-R512 PolarHBondContact O-N 3.44Å; L510-L513 PolarHBondContact O-N 3.32Å; L510-E514 VanDerWaalsContact O-CG 3.25Å; L510-E514 WeakPolarHBondContact O-CG 3.4Å; L510-E514 PolarHBondContact O-N 3.48Å
511C93.5Very high92.5Very high0 Ų065.2 Ų65.20%034%0.34CS..Hα-helixtrans-60-38.3176.1-72.20000112.1M507 G515 V516M507-C511 WeakPolarHBondContact O-CB 3.28Å; M507-C511 PolarHBondContact O-N 2.85Å; M507-C511 PolarHBondContact O-SG 2.93Å; C511-G515 PolarHBondContact O-N 3.15Å; C511-V516 PolarHBondContact O-N 3.2Å; C511-V516 VanDerWaalsContact O-O 3.13Å
512R94.1Very high92.4Very high189 Ų18967.4 Ų67.471%0.71336%0.359SS*.Hα-helixtrans-66.7-40.8175.7-72.3172.9-174.3-178.70.6112.3F508 A509 L510 E514 G515F508-R512 VanDerWaalsContact O-CG 3.29Å; F508-R512 WeakPolarHBondContact O-CG 3.34Å; F508-R512 PolarHBondContact O-N 3.17Å; F508-R512 VanDerWaalsContact O-N 3.11Å; A509-R512 PolarHBondContact O-N 3.31Å; L510-R512 VanDerWaalsContact C-N 3.27Å; L510-R512 PolarHBondContact O-N 3.44Å; R512-E514 VanDerWaalsContact C-N 3.32Å; R512-G515 PolarHBondContact O-N 2.92Å
513L92.7Very high92.3Very high143 Ų14368.1 Ų68.175%0.74937%0.366SS*.Hα-helixtrans-63.4-40.6178-175.265.9000111.8A509 L510 G515A509-L513 PolarHBondContact O-N 3.18Å; A509-L513 VanDerWaalsContact O-N 3.13Å; L510-L513 PolarHBondContact O-N 3.32Å; L513-G515 VanDerWaalsContact C-N 3.28Å; L513-G515 PolarHBondContact O-N 2.96Å
514E89.6Confident92.3Very high72 Ų7268.1 Ų68.134%0.33637%0.366SS..THydrogen-bonded Turntrans-81.9-2.9-179.3-61.3-84.8-172.600112.9L481 R484 L510 R512 V516L481-E514 HydrophobicContact CD2-CG 3.93Å; R484-E514 IonicContact NH1-OE1 3.93Å; R484-E514 PolarHBondContact NH1-OE1 3.23Å; L510-E514 VanDerWaalsContact O-CG 3.25Å; L510-E514 WeakPolarHBondContact O-CG 3.4Å; L510-E514 PolarHBondContact O-N 3.48Å; R512-E514 VanDerWaalsContact C-N 3.32Å; E514-V516 VanDerWaalsContact C-N 3.26Å; E514-V516 HydrophobicContact CB-CG2 4.03Å; E514-V516 PolarHBondContact O-N 3.46Å
515G90.9Very high92.2Very high70 Ų7069.3 Ų69.372%0.72237%0.371SS*.THydrogen-bonded Turntrans68.619.5-177.800000114.9C511 R512 L513C511-G515 PolarHBondContact O-N 3.15Å; R512-G515 PolarHBondContact O-N 2.92Å; L513-G515 VanDerWaalsContact C-N 3.28Å; L513-G515 PolarHBondContact O-N 2.96Å
516V91.2Very high92.1Very high29 Ų2964.3 Ų64.318%0.17637%0.365CS..PPolyproline II helixtrans-93.6140.2-179.3-1780000109.8L477 Y478 C511 E514 C518L477-V516 HydrophobicContact CD2-CG1 4.4Å; L477-V516 HydrophobicContact CD2-CG2 4.15Å; Y478-V516 HydrophobicContact CD1-CG1 4.49Å; Y478-V516 HydrophobicContact CE1-CG1 3.53Å; Y478-V516 WeakPolarHBondContact OH-CG1 3.33Å; C511-V516 PolarHBondContact O-N 3.2Å; C511-V516 VanDerWaalsContact O-O 3.13Å; E514-V516 VanDerWaalsContact C-N 3.26Å; E514-V516 HydrophobicContact CB-CG2 4.03Å; E514-V516 PolarHBondContact O-N 3.46Å; V516-C518 PolarHBondContact O-N 2.88Å
517P92.5Very high92Very high96 Ų9662.2 Ų62.262%0.62336%0.356SS*.PPolyproline II helixtrans-58.9136.3177.423.3-33.2000111.2
518C91.9Very high91.9Very high61 Ų6162.3 Ų62.341%0.41236%0.356SS..PPolyproline II helixtrans-68.8124.9-179.4-66.50000110.1F508 V516F508-C518 HydrophobicContact CD1-CB 4.2Å; F508-C518 HydrophobicContact CE1-CB 4.49Å; V516-C518 PolarHBondContact O-N 2.88Å
519P91.2Very high91.7Very high10 Ų1063 Ų637%0.06537%0.37CS..PPolyproline II helixtrans-69153.2179.126.6-31.9000111.6Y478 M507 F508 E523 V524Y478-P519 HydrophobicContact CD1-CG 4.25Å; Y478-P519 HydrophobicContact CE1-CG 4.44Å; M507-P519 HydrophobicContact CE-CG 3.62Å; M507-P519 HydrophobicContact SD-CG 4.13Å; F508-P519 HydrophobicContact CE1-CG 4.19Å; F508-P519 WeakPolarHBondContact CE1-O 3.42Å; F508-P519 WeakPolarHBondContact CZ-O 3.48Å; P519-E523 WeakPolarHBondContact CA-OE2 2.85Å; P519-E523 HydrophobicContact CB-CB 4.09Å; P519-V524 HydrophobicContact CB-CG2 4.21Å; P519-V524 HydrophobicContact CG-CG2 3.79Å
520T91.8Very high91.6Very high79 Ų7962.1 Ų62.149%0.48536%0.362SS..PPolyproline II helixtrans-66.5153.8172.5610000110.6S522 E523 V524T520-S522 PolarHBondContact O-N 2.89Å; T520-E523 PolarHBondContact N-OE2 2.73Å; T520-E523 WeakPolarHBondContact O-CB 3.2Å; T520-E523 PolarHBondContact O-N 3.49Å; T520-E523 VanDerWaalsContact OG1-CD 3.23Å; T520-E523 WeakPolarHBondContact OG1-CG 3.49Å; T520-E523 PolarHBondContact OG1-N 2.8Å; T520-E523 PolarHBondContact OG1-OE2 2.84Å; T520-V524 PolarHBondContact O-N 2.65Å
521K89.2Confident91.5Very high117 Ų11760.3 Ų60.351%0.50935%0.352SS..Hα-helixtrans-53.4-41.4177.5-67.4-176.3179.9-178.10111.7E523 V524 F525K521-E523 VanDerWaalsContact C-N 3.33Å; K521-E523 PolarHBondContact O-N 3.23Å; K521-V524 PolarHBondContact O-N 2.76Å; K521-V524 VanDerWaalsContact O-N 3.15Å; K521-F525 WeakPolarHBondContact O-CD2 3.49Å; K521-F525 PolarHBondContact O-N 2.85Å
522S89.6Confident91.4Very high93 Ų9361.1 Ų61.165%0.6536%0.36SS*.Hα-helixtrans-60.4-39176.9-54.20000113T520 F525 A526T520-S522 PolarHBondContact O-N 2.89Å; S522-F525 PolarHBondContact O-N 3.44Å; S522-A526 PolarHBondContact O-N 2.86Å
523E92.2Very high91.2Very high102 Ų10255.4 Ų55.448%0.47735%0.354SS..Hα-helixtrans-68.4-38.2174.2-72.5165.2156.200111.7P519 T520 K521 F525 A526 I527P519-E523 WeakPolarHBondContact CA-OE2 2.85Å; P519-E523 HydrophobicContact CB-CB 4.09Å; T520-E523 PolarHBondContact N-OE2 2.73Å; T520-E523 WeakPolarHBondContact O-CB 3.2Å; T520-E523 PolarHBondContact O-N 3.49Å; T520-E523 VanDerWaalsContact OG1-CD 3.23Å; T520-E523 WeakPolarHBondContact OG1-CG 3.49Å; T520-E523 PolarHBondContact OG1-N 2.8Å; T520-E523 PolarHBondContact OG1-OE2 2.84Å; K521-E523 VanDerWaalsContact C-N 3.33Å; K521-E523 PolarHBondContact O-N 3.23Å; E523-F525 VanDerWaalsContact C-N 3.32Å; E523-F525 PolarHBondContact O-N 3.12Å; E523-A526 CarbonylContact O-C 3.59Å; E523-A526 WeakPolarHBondContact O-CB 3.25Å; E523-A526 PolarHBondContact O-N 3.5Å; E523-A526 VanDerWaalsContact O-N 3.13Å; E523-I527 WeakPolarHBondContact O-CD1 3.47Å; E523-I527 VanDerWaalsContact O-CG1 3.28Å; E523-I527 WeakPolarHBondContact O-CG1 3.39Å; E523-I527 PolarHBondContact O-N 3.22Å
524V92.3Very high91Very high0 Ų050.1 Ų50.10%033%0.325CS..Hα-helixtrans-63.4-40.2174.3-175.60000111.1F482 I504 M507 F508 P519 T520 K521 A526 I527 C528F482-V524 HydrophobicContact CD2-CG1 3.97Å; F482-V524 HydrophobicContact CE2-CG1 3.68Å; I504-V524 HydrophobicContact CG1-CB 4.47Å; I504-V524 HydrophobicContact CG1-CG1 3.81Å; M507-V524 HydrophobicContact SD-CB 4.5Å; M507-V524 HydrophobicContact SD-CG1 3.97Å; M507-V524 HydrophobicContact SD-CG2 3.75Å; F508-V524 HydrophobicContact CE1-CG2 4.27Å; P519-V524 HydrophobicContact CB-CG2 4.21Å; P519-V524 HydrophobicContact CG-CG2 3.79Å; T520-V524 PolarHBondContact O-N 2.65Å; K521-V524 PolarHBondContact O-N 2.76Å; K521-V524 VanDerWaalsContact O-N 3.15Å; V524-A526 VanDerWaalsContact C-N 3.33Å; V524-A526 PolarHBondContact O-N 3.15Å; V524-I527 PolarHBondContact O-N 3.33Å; V524-C528 VanDerWaalsContact O-CB 3.31Å; V524-C528 WeakPolarHBondContact O-CB 3.42Å; V524-C528 PolarHBondContact O-N 3.24Å
525F91Very high91Very high31 Ų3150.6 Ų50.614%0.13633%0.326CS..Hα-helixtrans-60.4-42171.3-81.2-73.1000111.9L500 K521 S522 E523 C528 A529 C544 D545 I546L500-F525 HydrophobicContact CD2-CD1 3.69Å; L500-F525 HydrophobicContact CD2-CE1 3.21Å; L500-F525 HydrophobicContact CD2-CZ 3.71Å; K521-F525 WeakPolarHBondContact O-CD2 3.49Å; K521-F525 PolarHBondContact O-N 2.85Å; S522-F525 PolarHBondContact O-N 3.44Å; E523-F525 VanDerWaalsContact C-N 3.32Å; E523-F525 PolarHBondContact O-N 3.12Å; F525-C528 PolarHBondContact O-N 3Å; F525-A529 VanDerWaalsContact O-CB 3.26Å; F525-A529 WeakPolarHBondContact O-CB 3.35Å; F525-A529 PolarHBondContact O-N 3.46Å; F525-C544 HydrophobicContact CD1-CB 4.04Å; F525-C544 HydrophobicContact CE1-CB 4.02Å; F525-C544 HydrophobicContact CG-CB 4.34Å; F525-C544 HydrophobicContact CZ-CB 4.33Å; F525-C544 WeakPolarHBondContact CZ-O 3.48Å; F525-D545 WeakPolarHBondContact CE1-O 3.43Å; F525-I546 HydrophobicContact CE2-CG1 4.32Å; F525-I546 HydrophobicContact CZ-CG1 3.95Å
526A90.8Very high91.1Very high61 Ų6147.4 Ų47.450%0.50429%0.292SS..Hα-helixtrans-65-38.3176.100000112.6S522 E523 V524 S530S522-A526 PolarHBondContact O-N 2.86Å; E523-A526 CarbonylContact O-C 3.59Å; E523-A526 WeakPolarHBondContact O-CB 3.25Å; E523-A526 PolarHBondContact O-N 3.5Å; E523-A526 VanDerWaalsContact O-N 3.13Å; V524-A526 VanDerWaalsContact C-N 3.33Å; V524-A526 PolarHBondContact O-N 3.15Å; A526-S530 WeakPolarHBondContact O-CB 3.29Å; A526-S530 PolarHBondContact O-N 3.28Å
527I92.5Very high91.1Very high20 Ų2046.1 Ų46.110%0.10328%0.284CS..Hα-helixtrans-65.2-46.4174.5-69.8159.6000110.5Y478 E479 F482 M507 E523 V524 S530 L531Y478-I527 HydrophobicContact CG-CD1 4.46Å; E479-I527 HydrophobicContact CB-CG2 4.48Å; E479-I527 HydrophobicContact CG-CG2 3.92Å; F482-I527 HydrophobicContact CB-CG2 4.01Å; F482-I527 HydrophobicContact CD1-CG2 4.45Å; F482-I527 HydrophobicContact CG-CG2 4.2Å; M507-I527 HydrophobicContact CE-CD1 4.08Å; E523-I527 WeakPolarHBondContact O-CD1 3.47Å; E523-I527 VanDerWaalsContact O-CG1 3.28Å; E523-I527 WeakPolarHBondContact O-CG1 3.39Å; E523-I527 PolarHBondContact O-N 3.22Å; V524-I527 PolarHBondContact O-N 3.33Å; I527-S530 WeakPolarHBondContact O-CB 3.25Å; I527-S530 PolarHBondContact O-N 3.26Å; I527-L531 HydrophobicContact CG2-CD1 4.08Å; I527-L531 WeakPolarHBondContact O-CG 3.31Å; I527-L531 PolarHBondContact O-N 3.19Å
528C92.1Very high91.1Very high1 Ų145.5 Ų45.51%0.00728%0.275CS..Hα-helixtrans-61.8-44.7177.7-170.20000111F482 L500 V524 F525 S530 L531 G532 M548F482-C528 HydrophobicContact CE1-CB 4.31Å; F482-C528 HydrophobicContact CZ-CB 4.18Å; L500-C528 HydrophobicContact CD1-CB 4.47Å; V524-C528 VanDerWaalsContact O-CB 3.31Å; V524-C528 WeakPolarHBondContact O-CB 3.42Å; V524-C528 PolarHBondContact O-N 3.24Å; F525-C528 PolarHBondContact O-N 3Å; C528-S530 PolarHBondContact O-N 3.41Å; C528-L531 PolarHBondContact O-N 3.28Å; C528-G532 PolarHBondContact O-N 2.92Å; C528-M548 VanDerWaalsContact SG-CE 3.56Å
529A89.8Confident90.9Very high61 Ų6144.8 Ų44.850%0.50427%0.269SS..Hα-helixtrans-63.3-39.4174.600000112.3F525 G532 A533F525-A529 VanDerWaalsContact O-CB 3.26Å; F525-A529 WeakPolarHBondContact O-CB 3.35Å; F525-A529 PolarHBondContact O-N 3.46Å; A529-G532 PolarHBondContact O-N 3.48Å; A529-A533 WeakPolarHBondContact O-CB 3.26Å; A529-A533 PolarHBondContact O-N 3.19Å
530S91.4Very high90.7Very high32 Ų3249.3 Ų49.322%0.22429%0.29CS..Hα-helixtrans-60.1-52.3172.9177.80000110.6E479 A526 I527 C528 G532 A533 H534E479-S530 PolarHBondContact OE1-OG 3.34Å; A526-S530 WeakPolarHBondContact O-CB 3.29Å; A526-S530 PolarHBondContact O-N 3.28Å; I527-S530 WeakPolarHBondContact O-CB 3.25Å; I527-S530 PolarHBondContact O-N 3.26Å; C528-S530 PolarHBondContact O-N 3.41Å; S530-G532 VanDerWaalsContact C-N 3.3Å; S530-G532 PolarHBondContact O-N 3.39Å; S530-A533 WeakPolarHBondContact O-CB 3.45Å; S530-A533 PolarHBondContact O-N 3.36Å; S530-H534 PolarHBondContact O-CE1 2.87Å; S530-H534 PolarHBondContact O-N 3.04Å; S530-H534 VanDerWaalsContact O-N 3.13Å; S530-H534 PolarHBondContact O-ND1 3.19Å
531L92.3Very high90Very high0 Ų058.1 Ų58.10%031%0.314CS..Hα-helixtrans-64.2-34179.7-70.3172.8000112.8E479 F482 L483 I527 C528 H534 K535 L536 L537E479-L531 HydrophobicContact CB-CD1 4.5Å; E479-L531 HydrophobicContact CB-CD2 4.14Å; E479-L531 HydrophobicContact CB-CG 4.49Å; E479-L531 HydrophobicContact CG-CD2 4.17Å; E479-L531 HydrophobicContact CG-CG 4.23Å; F482-L531 HydrophobicContact CB-CD1 4.48Å; F482-L531 HydrophobicContact CD1-CD1 3.56Å; F482-L531 HydrophobicContact CE1-CD1 4.3Å; F482-L531 HydrophobicContact CG-CD1 4.43Å; L483-L531 HydrophobicContact CD1-CD2 4.43Å; L483-L531 HydrophobicContact CD2-CD1 4.18Å; L483-L531 HydrophobicContact CG-CD1 4.18Å; I527-L531 HydrophobicContact CG2-CD1 4.08Å; I527-L531 WeakPolarHBondContact O-CG 3.31Å; I527-L531 PolarHBondContact O-N 3.19Å; C528-L531 PolarHBondContact O-N 3.28Å; L531-H534 PolarHBondContact O-N 3.41Å; L531-K535 PolarHBondContact O-N 3.01Å; L531-L536 HydrophobicContact CD2-CB 4.45Å; L531-L536 HydrophobicContact CD2-CD1 3.84Å; L531-L536 PolarHBondContact O-N 3.25Å; L531-L537 HydrophobicContact CB-CB 4.43Å; L531-L537 HydrophobicContact CB-CD1 3.62Å; L531-L537 HydrophobicContact CB-CG 3.92Å; L531-L537 HydrophobicContact CD1-CD1 3.81Å; L531-L537 HydrophobicContact CG-CD1 4.38Å; L531-L537 PolarHBondContact O-N 3.28Å
532G91Very high88.8Confident16 Ų1654.7 Ų54.717%0.16531%0.305CS..Hα-helixtrans-66.9-41.317200000112.9C528 A529 S530 H534 K535 L537C528-G532 PolarHBondContact O-N 2.92Å; A529-G532 PolarHBondContact O-N 3.48Å; S530-G532 VanDerWaalsContact C-N 3.3Å; S530-G532 PolarHBondContact O-N 3.39Å; G532-H534 VanDerWaalsContact C-N 3.26Å; G532-H534 PolarHBondContact O-N 2.86Å; G532-K535 WeakPolarHBondContact O-CA 3.42Å; G532-K535 PolarHBondContact O-N 2.84Å; G532-L537 WeakPolarHBondContact CA-O 3.5Å
533A89.6Confident87.6Confident70 Ų7062.5 Ų62.558%0.57932%0.32SS*.Hα-helixtrans-62.2-33.8175.900000112.4A529 S530 K535A529-A533 WeakPolarHBondContact O-CB 3.26Å; A529-A533 PolarHBondContact O-N 3.19Å; S530-A533 WeakPolarHBondContact O-CB 3.45Å; S530-A533 PolarHBondContact O-N 3.36Å; A533-K535 PolarHBondContact O-N 3.32Å
534H88.4Confident86.5Confident32 Ų3261.8 Ų61.815%0.14833%0.325CS..THydrogen-bonded Turntrans-82.84.4174.2-58.6105.8000113.6M17 S530 L531 G532 L536M17-H534 HydrophobicContact CE-CB 4.49Å; M17-H534 VanDerWaalsContact CG-CD2 3.49Å; M17-H534 WeakPolarHBondContact CG-CD2 3.49Å; M17-H534 VanDerWaalsContact CG-NE2 3.27Å; M17-H534 WeakPolarHBondContact CG-NE2 3.28Å; M17-H534 HydrophobicContact SD-CB 4.19Å; M17-H534 PolarHBondContact SD-CD2 2.91Å; M17-H534 PolarHBondContact SD-NE2 3.35Å; S530-H534 PolarHBondContact O-CE1 2.87Å; S530-H534 PolarHBondContact O-N 3.04Å; S530-H534 VanDerWaalsContact O-N 3.13Å; S530-H534 PolarHBondContact O-ND1 3.19Å; L531-H534 PolarHBondContact O-N 3.41Å; G532-H534 VanDerWaalsContact C-N 3.26Å; G532-H534 PolarHBondContact O-N 2.86Å; H534-L536 HydrophobicContact CB-CG 4.29Å; H534-L536 PolarHBondContact O-N 3.47Å; H534-L536 VanDerWaalsContact O-N 3.11Å
535K89.9Confident86Confident81 Ų8166 Ų6635%0.35235%0.348SS..THydrogen-bonded Turntrans48.432.7-173.3-54.2-162.5-161.3173.90113.3L24 L531 G532 A533 N553L24-K535 HydrophobicContact CB-CD 4.41Å; L24-K535 HydrophobicContact CD1-CB 3.85Å; L24-K535 HydrophobicContact CD1-CD 3.52Å; L24-K535 HydrophobicContact CD1-CG 3.7Å; L24-K535 HydrophobicContact CD2-CD 3.96Å; L24-K535 HydrophobicContact CG-CD 4.17Å; L531-K535 PolarHBondContact O-N 3.01Å; G532-K535 WeakPolarHBondContact O-CA 3.42Å; G532-K535 PolarHBondContact O-N 2.84Å; A533-K535 PolarHBondContact O-N 3.32Å; K535-N553 WeakPolarHBondContact O-CB 3.29Å; K535-N553 PolarHBondContact O-ND2 3.37Å
536L91.7Very high85.6Confident4 Ų467.4 Ų67.42%0.02136%0.356CS..SBendtrans-79.3-33.1166.8-66.9179.2000110.2K468 A471 I472 L531 H534 N553K468-L536 HydrophobicContact CB-CD2 4.41Å; A471-L536 HydrophobicContact CB-CD1 4.21Å; A471-L536 HydrophobicContact CB-CD2 4.19Å; I472-L536 HydrophobicContact CD1-CD2 4.44Å; I472-L536 HydrophobicContact CG1-CD1 4.16Å; I472-L536 HydrophobicContact CG1-CD2 4.01Å; L531-L536 HydrophobicContact CD2-CB 4.45Å; L531-L536 HydrophobicContact CD2-CD1 3.84Å; L531-L536 PolarHBondContact O-N 3.25Å; H534-L536 HydrophobicContact CB-CG 4.29Å; H534-L536 PolarHBondContact O-N 3.47Å; H534-L536 VanDerWaalsContact O-N 3.11Å; L536-N553 PolarHBondContact O-N 3.09Å
537L92.1Very high85.3Confident2 Ų267 Ų671%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-114145.9170.7-62.3177000110.2F482 L483 L531 G532 T539 V550 R551 L552F482-L537 HydrophobicContact CD1-CD1 4.05Å; F482-L537 HydrophobicContact CE1-CD1 3.55Å; L483-L537 HydrophobicContact CD2-CD2 4.13Å; L483-L537 HydrophobicContact CD2-CG 4.43Å; L531-L537 HydrophobicContact CB-CB 4.43Å; L531-L537 HydrophobicContact CB-CD1 3.62Å; L531-L537 HydrophobicContact CB-CG 3.92Å; L531-L537 HydrophobicContact CD1-CD1 3.81Å; L531-L537 HydrophobicContact CG-CD1 4.38Å; L531-L537 PolarHBondContact O-N 3.28Å; G532-L537 WeakPolarHBondContact CA-O 3.5Å; L537-T539 HydrophobicContact CB-CG2 4.14Å; L537-V550 HydrophobicContact CB-CG1 4.34Å; L537-V550 HydrophobicContact CD1-CG1 4.03Å; L537-V550 HydrophobicContact CD2-CG1 3.94Å; L537-V550 HydrophobicContact CG-CG1 4.35Å; L537-R551 CarbonylContact C-O 3.58Å; L537-R551 WeakPolarHBondContact CA-O 3.35Å; L537-L552 HydrophobicContact CD2-CD2 3.34Å; L537-L552 HydrophobicContact CD2-CG 4.29Å
538L91.8Very high85.2Confident82 Ų8266.7 Ų66.743%0.42935%0.351SS..EExtended strand (participates in β ladder)trans-100.9110.3163.9-55.4175.2000106.6R551 N553L538-R551 HydrophobicContact CB-CB 4.2Å; L538-R551 PolarHBondContact N-O 2.97Å; L538-R551 PolarHBondContact O-N 2.93Å; L538-N553 HydrophobicContact CD2-CB 4.24Å; L538-N553 HydrophobicContact CG-CB 4.03Å
539T88.9Confident85.1Confident47 Ų4769 Ų6929%0.28836%0.363SS..EExtended strand (participates in β ladder)trans-112.1140.4179.456.90000108.8L537 M548 V550L537-T539 HydrophobicContact CB-CG2 4.14Å; T539-M548 HydrophobicContact CG2-CE 4.01Å; T539-V550 HydrophobicContact CG2-CG1 4.49Å; T539-V550 HydrophobicContact CG2-CG2 4.46Å
540E85.5Confident85.2Confident105 Ų10566 Ų6649%0.49134%0.339SS..  trans-63.3155.5172.3-63.3178.6141.500111.5S542 M548 L549E540-S542 VanDerWaalsContact C-N 3.32Å; E540-S542 PolarHBondContact O-N 2.84Å; E540-M548 HydrophobicContact CB-CG 4.16Å; E540-M548 VanDerWaalsContact O-SD 3.36Å; E540-L549 HydrophobicContact CG-CB 4.28Å; E540-L549 PolarHBondContact N-O 3.39Å; E540-L549 PolarHBondContact OE2-N 3.12Å
541R78.5Confident85.3Confident263 Ų26370.5 Ų70.599%0.99235%0.351SS*.  trans-73.185.8174.8-65.2178.7-177173.60.7108.9
542S63.7Low85.3Confident46 Ų4671.8 Ų71.832%0.32236%0.358SS..  trans-112.9151-179.483.70000113.1E540 C544 D545 M548E540-S542 VanDerWaalsContact C-N 3.32Å; E540-S542 PolarHBondContact O-N 2.84Å; S542-C544 PolarHBondContact O-N 2.84Å; S542-D545 PolarHBondContact OG-N 3.38Å; S542-M548 PolarHBondContact OG-SD 3.08Å
543R65.2Low85.3Confident256 Ų25673.5 Ų73.597%0.96636%0.363SS*.SBendtrans-78.641.7174-66-177.8175.7174.4-0.5112
544C68.2Low85.3Confident87 Ų8770.9 Ų70.959%0.58834%0.34SS*.SBendtrans65.847.2-169.4-51.50000113.4F525 S542F525-C544 HydrophobicContact CD1-CB 4.04Å; F525-C544 HydrophobicContact CE1-CB 4.02Å; F525-C544 HydrophobicContact CG-CB 4.34Å; F525-C544 HydrophobicContact CZ-CB 4.33Å; F525-C544 WeakPolarHBondContact CZ-O 3.48Å; S542-C544 PolarHBondContact O-N 2.84Å
545D81.7Confident85.4Confident89 Ų8972.7 Ų72.748%0.47635%0.354SS..  trans-81.3134.5174.3-167.4-5.8000110.7F525 S542 A547 M548F525-D545 WeakPolarHBondContact CE1-O 3.43Å; S542-D545 PolarHBondContact OG-N 3.38Å; D545-A547 PolarHBondContact O-N 3.44Å; D545-A547 PolarHBondContact OD1-N 3.33Å; D545-M548 VanDerWaalsContact O-CB 3.25Å; D545-M548 WeakPolarHBondContact O-CB 3.49Å; D545-M548 PolarHBondContact O-N 3.4Å
546I82.2Confident85.5Confident61 Ų6172.5 Ų72.531%0.31335%0.353SS..THydrogen-bonded Turntrans-69-24.3175.6-60169.8000110.6D501 F525 M548D501-I546 HydrophobicContact CB-CG2 3.5Å; D501-I546 VanDerWaalsContact CB-CG2 3.5Å; D501-I546 PolarHBondContact N-O 3.49Å; D501-I546 WeakPolarHBondContact OD1-CG2 3.39Å; F525-I546 HydrophobicContact CE2-CG1 4.32Å; F525-I546 HydrophobicContact CZ-CG1 3.95Å; I546-M548 VanDerWaalsContact C-N 3.27Å; I546-M548 PolarHBondContact O-N 2.83Å
547A85.7Confident85.3Confident53 Ų5376 Ų7644%0.43838%0.378SS..THydrogen-bonded Turntrans-80.9-2176.500000114.2D545 L549D545-A547 PolarHBondContact O-N 3.44Å; D545-A547 PolarHBondContact OD1-N 3.33Å; A547-L549 PolarHBondContact O-N 3.13Å
548M88.9Confident85.2Confident12 Ų1279.8 Ų79.86%0.05940%0.398CS..  trans-52.3133.4-179.1-178.4176.271.700112.1L500 C528 T539 E540 S542 D545 I546 V550L500-M548 HydrophobicContact CB-CB 4.41Å; L500-M548 HydrophobicContact CD2-CE 4.03Å; L500-M548 PolarHBondContact N-O 3.34Å; C528-M548 VanDerWaalsContact SG-CE 3.56Å; T539-M548 HydrophobicContact CG2-CE 4.01Å; E540-M548 HydrophobicContact CB-CG 4.16Å; E540-M548 VanDerWaalsContact O-SD 3.36Å; S542-M548 PolarHBondContact OG-SD 3.08Å; D545-M548 VanDerWaalsContact O-CB 3.25Å; D545-M548 WeakPolarHBondContact O-CB 3.49Å; D545-M548 PolarHBondContact O-N 3.4Å; I546-M548 VanDerWaalsContact C-N 3.27Å; I546-M548 PolarHBondContact O-N 2.83Å; M548-V550 HydrophobicContact CE-CG2 4.21Å
549L90.5Very high85.1Confident49 Ų4976 Ų7626%0.25738%0.378SS..EExtended strand (participates in β ladder)trans-80.7136.8173.9-63.4173000111R499 E540 A547R499-L549 HydrophobicContact CG-CD2 3.86Å; E540-L549 HydrophobicContact CG-CB 4.28Å; E540-L549 PolarHBondContact N-O 3.39Å; E540-L549 PolarHBondContact OE2-N 3.12Å; A547-L549 PolarHBondContact O-N 3.13Å
550V92.1Very high85.2Confident0 Ų076.5 Ų76.50%038%0.379CS..EExtended strand (participates in β ladder)trans-122.3126.6179.3-176.30000108.7A498 L500 L537 T539 M548A498-V550 PolarHBondContact N-O 2.81Å; A498-V550 VanDerWaalsContact N-O 3.14Å; A498-V550 PolarHBondContact O-N 3.43Å; L500-V550 HydrophobicContact CB-CG2 4.32Å; L500-V550 HydrophobicContact CD1-CG2 4.24Å; L537-V550 HydrophobicContact CB-CG1 4.34Å; L537-V550 HydrophobicContact CD1-CG1 4.03Å; L537-V550 HydrophobicContact CD2-CG1 3.94Å; L537-V550 HydrophobicContact CG-CG1 4.35Å; T539-V550 HydrophobicContact CG2-CG1 4.49Å; T539-V550 HydrophobicContact CG2-CG2 4.46Å; M548-V550 HydrophobicContact CE-CG2 4.21Å
551R92.9Very high85.3Confident126 Ų12678.6 Ų78.648%0.47538%0.383SS..EExtended strand (participates in β ladder)trans-116.3149.7170.4-66.6-177.4-174.7148.75.3110.4E497 L537 L538E497-R551 VanDerWaalsContact CD-NH2 3.31Å; E497-R551 HydrophobicContact CG-CG 3.38Å; E497-R551 IonicContact OE1-CZ 2.96Å; E497-R551 IonicContact OE1-NE 3.1Å; E497-R551 PolarHBondContact OE1-NE 2.92Å; E497-R551 IonicContact OE1-NH2 3.88Å; E497-R551 PolarHBondContact OE1-NH2 3.42Å; E497-R551 IonicContact OE2-NE 2.84Å; E497-R551 IonicContact OE2-NH2 3.79Å; L537-R551 CarbonylContact C-O 3.58Å; L537-R551 WeakPolarHBondContact CA-O 3.35Å; L538-R551 HydrophobicContact CB-CB 4.2Å; L538-R551 PolarHBondContact N-O 2.97Å; L538-R551 PolarHBondContact O-N 2.93Å
552L92.9Very high85.8Confident27 Ų2766.4 Ų66.414%0.14134%0.338CS..EExtended strand (participates in β ladder)trans-84.4132.6171.9-68.3168.1000109.8L483 V486 I487 F490 L537 C554 K556 I559L483-L552 HydrophobicContact CD2-CD2 4.15Å; V486-L552 HydrophobicContact CG1-CD1 4.16Å; V486-L552 HydrophobicContact CG1-CD2 3.91Å; V486-L552 HydrophobicContact CG1-CG 3.91Å; I487-L552 HydrophobicContact CG1-CD1 4.09Å; F490-L552 HydrophobicContact CD2-CD1 3.63Å; F490-L552 HydrophobicContact CD2-CG 4.26Å; F490-L552 HydrophobicContact CE2-CB 4.11Å; F490-L552 HydrophobicContact CE2-CD1 3.5Å; F490-L552 VanDerWaalsContact CE2-CD1 3.5Å; F490-L552 HydrophobicContact CE2-CG 3.6Å; F490-L552 HydrophobicContact CZ-CD1 4.44Å; F490-L552 HydrophobicContact CZ-CG 4.22Å; L537-L552 HydrophobicContact CD2-CD2 3.34Å; L537-L552 HydrophobicContact CD2-CG 4.29Å; L552-C554 VanDerWaalsContact C-N 3.32Å; L552-K556 HydrophobicContact CD1-CG 4.44Å; L552-I559 HydrophobicContact CD1-CD1 4.04Å; L552-I559 HydrophobicContact CD2-CD1 3.75Å; L552-I559 HydrophobicContact CG-CD1 4.37Å
553N91.9Very high86.9Confident52 Ų5264.4 Ų64.428%0.27832%0.324SS..SBendtrans-92.46.1171.9-164.926.4000112.6K468 K535 L536 L538K468-N553 PolarHBondContact NZ-O 3.49Å; K535-N553 WeakPolarHBondContact O-CB 3.29Å; K535-N553 PolarHBondContact O-ND2 3.37Å; L536-N553 PolarHBondContact O-N 3.09Å; L538-N553 HydrophobicContact CD2-CB 4.24Å; L538-N553 HydrophobicContact CG-CB 4.03Å
554C89.5Confident87.7Confident15 Ų1557.4 Ų57.410%0.10131%0.305CS..SBendtrans-125.9154.2179.6-51.80000108.9L552 I559L552-C554 VanDerWaalsContact C-N 3.32Å; C554-I559 HydrophobicContact CB-CD1 4Å; C554-I559 HydrophobicContact CB-CG1 3.92Å
555T90.1Very high87.9Confident70 Ų7058.6 Ų58.643%0.42930%0.302SS..  trans-66.4146.5176.373.80000109.9S557 D558 I559T555-S557 PolarHBondContact O-N 3.43Å; T555-S557 PolarHBondContact OG1-OG 3.41Å; T555-S557 VanDerWaalsContact OG1-OG 3.06Å; T555-D558 PolarHBondContact O-N 2.99Å; T555-D558 WeakPolarHBondContact OG1-CB 3.46Å; T555-D558 PolarHBondContact OG1-N 3.31Å; T555-D558 VanDerWaalsContact OG1-N 3.17Å; T555-D558 PolarHBondContact OG1-OD1 3.37Å; T555-D558 PolarHBondContact OG1-OD2 3.11Å; T555-I559 PolarHBondContact O-N 3.13Å
556K90.7Very high86.9Confident77 Ų7760.4 Ų60.434%0.33530%0.303SS..Hα-helixtrans-59.7-38.9179.8-58.4177.2-168.4177.80110.6L552 I559 L560L552-K556 HydrophobicContact CD1-CG 4.44Å; K556-I559 PolarHBondContact O-N 3.15Å; K556-L560 WeakPolarHBondContact O-CG 3.21Å; K556-L560 PolarHBondContact O-N 3.02Å; K556-L560 VanDerWaalsContact O-N 3.09Å
557S88.9Confident85.3Confident78 Ų7862.6 Ų62.655%0.54532%0.323SS..Hα-helixtrans-62.4-44177.546.50000112.9T555 I559 L560 Y561T555-S557 PolarHBondContact O-N 3.43Å; T555-S557 PolarHBondContact OG1-OG 3.41Å; T555-S557 VanDerWaalsContact OG1-OG 3.06Å; S557-I559 VanDerWaalsContact C-N 3.33Å; S557-I559 PolarHBondContact O-N 2.94Å; S557-L560 PolarHBondContact O-N 3.19Å; S557-Y561 VanDerWaalsContact O-CB 3.31Å; S557-Y561 WeakPolarHBondContact O-CB 3.45Å; S557-Y561 PolarHBondContact O-N 2.99Å
558D88.7Confident83.2Confident80 Ų8067.2 Ų67.243%0.42834%0.341SS..Hα-helixtrans-65.2-40.4-178.8-65.3-23.8000111.4T555 Y561 C562T555-D558 PolarHBondContact O-N 2.99Å; T555-D558 WeakPolarHBondContact OG1-CB 3.46Å; T555-D558 PolarHBondContact OG1-N 3.31Å; T555-D558 VanDerWaalsContact OG1-N 3.17Å; T555-D558 PolarHBondContact OG1-OD1 3.37Å; T555-D558 PolarHBondContact OG1-OD2 3.11Å; D558-Y561 PolarHBondContact O-N 3.37Å; D558-C562 WeakPolarHBondContact O-CB 3.19Å; D558-C562 PolarHBondContact O-N 3.47Å; D558-C562 PolarHBondContact O-SG 2.95Å
559I90.1Very high80.9Confident2 Ų272.7 Ų72.71%0.0137%0.369CS..Hα-helixtrans-65.8-48.2178.4-59.1165.3000109.7I472 L483 I487 L552 C554 T555 K556 S557 Y561 C562 L563I472-I559 HydrophobicContact CD1-CG1 3.83Å; I472-I559 HydrophobicContact CG2-CG2 4.48Å; L483-I559 HydrophobicContact CB-CG2 4.21Å; L483-I559 HydrophobicContact CD1-CG2 4.43Å; I487-I559 HydrophobicContact CD1-CB 3.78Å; I487-I559 HydrophobicContact CD1-CD1 4.26Å; I487-I559 HydrophobicContact CD1-CG2 3.47Å; I487-I559 VanDerWaalsContact CD1-CG2 3.47Å; L552-I559 HydrophobicContact CD1-CD1 4.04Å; L552-I559 HydrophobicContact CD2-CD1 3.75Å; L552-I559 HydrophobicContact CG-CD1 4.37Å; C554-I559 HydrophobicContact CB-CD1 4Å; C554-I559 HydrophobicContact CB-CG1 3.92Å; T555-I559 PolarHBondContact O-N 3.13Å; K556-I559 PolarHBondContact O-N 3.15Å; S557-I559 VanDerWaalsContact C-N 3.33Å; S557-I559 PolarHBondContact O-N 2.94Å; I559-Y561 VanDerWaalsContact C-N 3.32Å; I559-Y561 PolarHBondContact O-N 2.99Å; I559-C562 PolarHBondContact O-N 3.18Å; I559-L563 HydrophobicContact CG2-CD1 3.53Å; I559-L563 HydrophobicContact CG2-CG 4.03Å; I559-L563 WeakPolarHBondContact O-CB 3.13Å; I559-L563 WeakPolarHBondContact O-CG 3.44Å; I559-L563 PolarHBondContact O-N 3.39Å
560L90.8Very high80.5Confident58 Ų5873.9 Ų73.930%0.30438%0.375SS..Hα-helixtrans-59.6-43177.6-71.6174000111.8I487 K556 S557 C562 L563 N564I487-L560 HydrophobicContact CD1-CD2 4.17Å; I487-L560 HydrophobicContact CD1-CG 4.24Å; I487-L560 HydrophobicContact CG2-CD1 4.48Å; I487-L560 HydrophobicContact CG2-CD2 4.22Å; I487-L560 HydrophobicContact CG2-CG 4.47Å; K556-L560 WeakPolarHBondContact O-CG 3.21Å; K556-L560 PolarHBondContact O-N 3.02Å; K556-L560 VanDerWaalsContact O-N 3.09Å; S557-L560 PolarHBondContact O-N 3.19Å; L560-C562 PolarHBondContact O-N 3Å; L560-L563 PolarHBondContact O-N 2.8Å; L560-N564 WeakPolarHBondContact O-CB 3.44Å; L560-N564 PolarHBondContact O-N 3.13Å; L560-N564 PolarHBondContact O-ND2 3.45Å
561Y89.1Confident79.9Confident150 Ų15077.7 Ų77.759%0.58840%0.395SS*.Hα-helixtrans-57.6-49.3175.1177.3-104.5000111.9S557 D558 I559 L563 N564 Q565S557-Y561 VanDerWaalsContact O-CB 3.31Å; S557-Y561 WeakPolarHBondContact O-CB 3.45Å; S557-Y561 PolarHBondContact O-N 2.99Å; D558-Y561 PolarHBondContact O-N 3.37Å; I559-Y561 VanDerWaalsContact C-N 3.32Å; I559-Y561 PolarHBondContact O-N 2.99Å; Y561-L563 VanDerWaalsContact C-N 3.33Å; Y561-L563 PolarHBondContact O-N 3.28Å; Y561-N564 PolarHBondContact O-N 3.12Å; Y561-Q565 WeakPolarHBondContact O-CG 3.4Å; Y561-Q565 PolarHBondContact O-N 3.42Å; Y561-Q565 PolarHBondContact OH-NE2 3.18Å
562C87.9Confident79.1Confident6 Ų675.1 Ų75.14%0.04139%0.39CS..Hα-helixtrans-66.6-33.9179.4-64.90000112.9I472 D558 I559 L560I472-C562 HydrophobicContact CB-CB 4.12Å; I472-C562 HydrophobicContact CG2-CB 3.6Å; D558-C562 WeakPolarHBondContact O-CB 3.19Å; D558-C562 PolarHBondContact O-N 3.47Å; D558-C562 PolarHBondContact O-SG 2.95Å; I559-C562 PolarHBondContact O-N 3.18Å; L560-C562 PolarHBondContact O-N 3Å
563L86.6Confident78.3Confident5 Ų577.9 Ų77.93%0.02641%0.405CS..Hα-helixtrans-76.1-29.4-180-70.2174.6000112.9I472 K480 R484 I559 L560 Y561I472-L563 HydrophobicContact CG2-CD2 4.46Å; K480-L563 HydrophobicContact CB-CD2 3.64Å; K480-L563 HydrophobicContact CD-CD2 4.01Å; K480-L563 HydrophobicContact CG-CD2 3.63Å; R484-L563 HydrophobicContact CG-CD1 3.57Å; R484-L563 PolarHBondContact NH2-O 3.41Å; I559-L563 HydrophobicContact CG2-CD1 3.53Å; I559-L563 HydrophobicContact CG2-CG 4.03Å; I559-L563 WeakPolarHBondContact O-CB 3.13Å; I559-L563 WeakPolarHBondContact O-CG 3.44Å; I559-L563 PolarHBondContact O-N 3.39Å; L560-L563 PolarHBondContact O-N 2.8Å; Y561-L563 VanDerWaalsContact C-N 3.33Å; Y561-L563 PolarHBondContact O-N 3.28Å
564N83.1Confident77.5Confident108 Ų10879.5 Ų79.558%0.57841%0.413SS*.Hα-helixtrans-81.7-25.8179.8-69.6-9000112.8L560 Y561 R566L560-N564 WeakPolarHBondContact O-CB 3.44Å; L560-N564 PolarHBondContact O-N 3.13Å; L560-N564 PolarHBondContact O-ND2 3.45Å; Y561-N564 PolarHBondContact O-N 3.12Å; N564-R566 PolarHBondContact O-N 3.13Å; N564-R566 VanDerWaalsContact O-N 3.12Å
565Q71.7Confident76.7Confident113 Ų11383.8 Ų83.853%0.52843%0.433SS..SBendtrans-62.7-17.1178-80.5-170.3-700114.8Y561Y561-Q565 WeakPolarHBondContact O-CG 3.4Å; Y561-Q565 PolarHBondContact O-N 3.42Å; Y561-Q565 PolarHBondContact OH-NE2 3.18Å
566R59.7Low75.7Confident127 Ų12784.8 Ų84.848%0.47943%0.434SS..  trans-107.278.8171.7-91.1179.7157.4153.1-11.9108.9C473 N564 D568C473-R566 PolarHBondContact O-NH1 3.13Å; N564-R566 PolarHBondContact O-N 3.13Å; N564-R566 VanDerWaalsContact O-N 3.12Å; R566-D568 PolarHBondContact O-N 3.13Å; R566-D568 VanDerWaalsContact O-N 3.12Å
567S48.6Very low74.6Confident106 Ų10685.4 Ų85.474%0.74144%0.441SS*.  trans-70.415.8165.949.30000113.6L569S567-L569 VanDerWaalsContact C-N 3.32Å
568D42.1Very low73.4Confident151 Ų15186 Ų8681%0.80743%0.432SS*.  trans-97.837173.5-63.8-20.5000111.4R566R566-D568 PolarHBondContact O-N 3.13Å; R566-D568 VanDerWaalsContact O-N 3.12Å
569L41.9Very low72Confident126 Ų12686.5 Ų86.566%0.6643%0.433SS*.  trans-104.20165.4-76.6170.9000109.3L477 S567L477-L569 HydrophobicContact CD1-CD1 4.41Å; L477-L569 HydrophobicContact CD1-CD2 3.28Å; L477-L569 HydrophobicContact CD1-CG 4.49Å; S567-L569 VanDerWaalsContact C-N 3.32Å

Retrieved 569 of 569 residues in 528 ms (Link to these results)

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